USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 619 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 9 MET CE :methyl -147:sc= 0 (180deg=-0.187) USER MOD Set 1.2: A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 18 HIS : no HD1:sc= 0 X(o=-0.12,f=-0.12) USER MOD Set 2.2: A 74 ASN : amide:sc= -0.125 K(o=-0.12,f=-0.85) USER MOD Set 3.1: A 3 ASN : amide:sc= 0 X(o=1.8,f=1.7) USER MOD Set 3.2: A 5 THR OG1 : rot -116:sc= 1.19 USER MOD Set 3.3: A 37 HIS : no HE2:sc= 0.605 K(o=1.8,f=-3.8!) USER MOD Single : A 2 MET CE :methyl -141:sc= -6.92! (180deg=-9.07!) USER MOD Single : A 6 SER OG : rot -160:sc= -1.14 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= -1.44 K(o=-1.4,f=-2.2!) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.635 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc=-0.000378 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.3!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 55 THR OG1 : rot -3:sc= 0.801 USER MOD Single : A 57 ASN : amide:sc=-0.00237 X(o=-0.0024,f=0) USER MOD Single : A 63 SER OG : rot -92:sc= 0.353 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -3.12! C(o=-3.1!,f=-6.5!) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 171:sc= -0.863 USER MOD Single : A 78 ASN : amide:sc= -4.21 X(o=-4.2,f=-4.3!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 GLN : amide:sc= -5.03 X(o=-5,f=-5.5!) USER MOD Single : A 85 ASN : amide:sc= -0.552 K(o=-0.55,f=-2!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 17 N MET A 2 -30.853 -16.615 -14.323 1.00 0.00 N ATOM 18 CA MET A 2 -29.820 -16.954 -15.295 1.00 0.00 C ATOM 19 C MET A 2 -30.074 -18.332 -15.900 1.00 0.00 C ATOM 20 O MET A 2 -30.629 -19.215 -15.246 1.00 0.00 O ATOM 21 CB MET A 2 -28.440 -16.920 -14.637 1.00 0.00 C ATOM 22 CG MET A 2 -28.317 -17.848 -13.441 1.00 0.00 C ATOM 23 SD MET A 2 -26.681 -18.592 -13.303 1.00 0.00 S ATOM 24 CE MET A 2 -26.685 -19.100 -11.586 1.00 0.00 C ATOM 0 HA MET A 2 -29.852 -16.214 -16.095 1.00 0.00 H new ATOM 0 HB2 MET A 2 -27.687 -17.191 -15.377 1.00 0.00 H new ATOM 0 HB3 MET A 2 -28.222 -15.900 -14.320 1.00 0.00 H new ATOM 0 HG2 MET A 2 -28.536 -17.291 -12.530 1.00 0.00 H new ATOM 0 HG3 MET A 2 -29.065 -18.637 -13.520 1.00 0.00 H new ATOM 0 HE1 MET A 2 -25.701 -18.922 -11.152 1.00 0.00 H new ATOM 0 HE2 MET A 2 -27.433 -18.526 -11.038 1.00 0.00 H new ATOM 0 HE3 MET A 2 -26.924 -20.162 -11.521 1.00 0.00 H new ATOM 34 N ASN A 3 -29.666 -18.506 -17.152 1.00 0.00 N ATOM 35 CA ASN A 3 -29.854 -19.776 -17.846 1.00 0.00 C ATOM 36 C ASN A 3 -28.520 -20.347 -18.318 1.00 0.00 C ATOM 37 O ASN A 3 -27.738 -19.664 -18.978 1.00 0.00 O ATOM 38 CB ASN A 3 -30.793 -19.594 -19.039 1.00 0.00 C ATOM 39 CG ASN A 3 -31.567 -20.857 -19.363 1.00 0.00 C ATOM 40 OD1 ASN A 3 -31.033 -21.788 -19.968 1.00 0.00 O ATOM 41 ND2 ASN A 3 -32.832 -20.895 -18.963 1.00 0.00 N ATOM 0 H ASN A 3 -29.204 -17.786 -17.707 1.00 0.00 H new ATOM 0 HA ASN A 3 -30.299 -20.480 -17.143 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -31.493 -18.786 -18.827 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -30.213 -19.292 -19.911 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -33.403 -21.719 -19.154 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -33.233 -20.101 -18.465 1.00 0.00 H new ATOM 48 N ILE A 4 -28.274 -21.609 -17.978 1.00 0.00 N ATOM 49 CA ILE A 4 -27.042 -22.284 -18.368 1.00 0.00 C ATOM 50 C ILE A 4 -27.347 -23.627 -19.025 1.00 0.00 C ATOM 51 O ILE A 4 -28.027 -24.470 -18.441 1.00 0.00 O ATOM 52 CB ILE A 4 -26.116 -22.512 -17.155 1.00 0.00 C ATOM 53 CG1 ILE A 4 -25.920 -21.207 -16.379 1.00 0.00 C ATOM 54 CG2 ILE A 4 -24.776 -23.071 -17.607 1.00 0.00 C ATOM 55 CD1 ILE A 4 -25.034 -21.353 -15.160 1.00 0.00 C ATOM 0 H ILE A 4 -28.914 -22.185 -17.432 1.00 0.00 H new ATOM 0 HA ILE A 4 -26.532 -21.637 -19.082 1.00 0.00 H new ATOM 0 HB ILE A 4 -26.586 -23.239 -16.493 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -25.488 -20.460 -17.045 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -26.894 -20.830 -16.067 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -24.135 -23.226 -16.739 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -24.932 -24.021 -18.117 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -24.299 -22.367 -18.289 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -24.941 -20.389 -14.661 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -25.475 -22.076 -14.474 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -24.047 -21.700 -15.467 1.00 0.00 H new ATOM 67 N THR A 5 -26.847 -23.821 -20.243 1.00 0.00 N ATOM 68 CA THR A 5 -27.075 -25.065 -20.969 1.00 0.00 C ATOM 69 C THR A 5 -25.795 -25.568 -21.626 1.00 0.00 C ATOM 70 O THR A 5 -24.839 -24.816 -21.811 1.00 0.00 O ATOM 71 CB THR A 5 -28.161 -24.873 -22.028 1.00 0.00 C ATOM 72 OG1 THR A 5 -28.028 -23.613 -22.663 1.00 0.00 O ATOM 73 CG2 THR A 5 -29.563 -24.967 -21.471 1.00 0.00 C ATOM 0 H THR A 5 -26.284 -23.135 -20.745 1.00 0.00 H new ATOM 0 HA THR A 5 -27.405 -25.813 -20.248 1.00 0.00 H new ATOM 0 HB THR A 5 -28.018 -25.687 -22.739 1.00 0.00 H new ATOM 0 HG1 THR A 5 -28.818 -23.065 -22.472 1.00 0.00 H new ATOM 0 HG21 THR A 5 -30.284 -24.822 -22.275 1.00 0.00 H new ATOM 0 HG22 THR A 5 -29.712 -25.950 -21.023 1.00 0.00 H new ATOM 0 HG23 THR A 5 -29.705 -24.198 -20.712 1.00 0.00 H new ATOM 81 N SER A 6 -25.784 -26.852 -21.969 1.00 0.00 N ATOM 82 CA SER A 6 -24.628 -27.478 -22.600 1.00 0.00 C ATOM 83 C SER A 6 -25.026 -28.806 -23.236 1.00 0.00 C ATOM 84 O SER A 6 -25.832 -29.555 -22.685 1.00 0.00 O ATOM 85 CB SER A 6 -23.518 -27.704 -21.570 1.00 0.00 C ATOM 86 OG SER A 6 -23.769 -28.863 -20.796 1.00 0.00 O ATOM 0 H SER A 6 -26.570 -27.484 -21.819 1.00 0.00 H new ATOM 0 HA SER A 6 -24.256 -26.812 -23.379 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.560 -27.804 -22.080 1.00 0.00 H new ATOM 0 HB3 SER A 6 -23.442 -26.835 -20.916 1.00 0.00 H new ATOM 0 HG SER A 6 -23.251 -28.820 -19.965 1.00 0.00 H new ATOM 92 N LYS A 7 -24.462 -29.085 -24.408 1.00 0.00 N ATOM 93 CA LYS A 7 -24.765 -30.316 -25.131 1.00 0.00 C ATOM 94 C LYS A 7 -23.668 -31.357 -24.931 1.00 0.00 C ATOM 95 O LYS A 7 -23.452 -32.218 -25.785 1.00 0.00 O ATOM 96 CB LYS A 7 -24.935 -30.023 -26.622 1.00 0.00 C ATOM 97 CG LYS A 7 -25.833 -28.828 -26.908 1.00 0.00 C ATOM 98 CD LYS A 7 -27.125 -29.247 -27.594 1.00 0.00 C ATOM 99 CE LYS A 7 -27.113 -28.894 -29.073 1.00 0.00 C ATOM 100 NZ LYS A 7 -28.411 -28.318 -29.518 1.00 0.00 N ATOM 0 H LYS A 7 -23.793 -28.475 -24.877 1.00 0.00 H new ATOM 0 HA LYS A 7 -25.696 -30.719 -24.733 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -23.954 -29.844 -27.063 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -25.349 -30.904 -27.112 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -26.066 -28.316 -25.974 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -25.301 -28.115 -27.538 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -27.268 -30.321 -27.477 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -27.970 -28.758 -27.109 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -26.313 -28.180 -29.269 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -26.893 -29.787 -29.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -28.361 -28.091 -30.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -29.171 -29.009 -29.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -28.609 -27.451 -28.979 1.00 0.00 H new ATOM 114 N GLN A 8 -22.984 -31.278 -23.795 1.00 0.00 N ATOM 115 CA GLN A 8 -21.921 -32.212 -23.479 1.00 0.00 C ATOM 116 C GLN A 8 -21.929 -32.559 -21.994 1.00 0.00 C ATOM 117 O GLN A 8 -21.818 -33.726 -21.618 1.00 0.00 O ATOM 118 CB GLN A 8 -20.562 -31.636 -23.881 1.00 0.00 C ATOM 119 CG GLN A 8 -20.219 -31.863 -25.344 1.00 0.00 C ATOM 120 CD GLN A 8 -18.775 -32.281 -25.547 1.00 0.00 C ATOM 121 OE1 GLN A 8 -18.068 -31.724 -26.386 1.00 0.00 O ATOM 122 NE2 GLN A 8 -18.332 -33.270 -24.779 1.00 0.00 N ATOM 0 H GLN A 8 -23.151 -30.572 -23.078 1.00 0.00 H new ATOM 0 HA GLN A 8 -22.094 -33.126 -24.047 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -20.554 -30.566 -23.676 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -19.787 -32.085 -23.260 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -20.876 -32.631 -25.753 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -20.411 -30.948 -25.904 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -18.954 -33.703 -24.096 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.370 -33.596 -24.872 1.00 0.00 H new ATOM 131 N MET A 9 -22.067 -31.537 -21.156 1.00 0.00 N ATOM 132 CA MET A 9 -22.096 -31.728 -19.711 1.00 0.00 C ATOM 133 C MET A 9 -23.472 -31.383 -19.150 1.00 0.00 C ATOM 134 O MET A 9 -24.397 -31.067 -19.897 1.00 0.00 O ATOM 135 CB MET A 9 -21.027 -30.863 -19.042 1.00 0.00 C ATOM 136 CG MET A 9 -19.623 -31.436 -19.149 1.00 0.00 C ATOM 137 SD MET A 9 -18.985 -31.404 -20.835 1.00 0.00 S ATOM 138 CE MET A 9 -18.420 -29.707 -20.953 1.00 0.00 C ATOM 0 H MET A 9 -22.161 -30.566 -21.454 1.00 0.00 H new ATOM 0 HA MET A 9 -21.888 -32.777 -19.500 1.00 0.00 H new ATOM 0 HB2 MET A 9 -21.040 -29.871 -19.493 1.00 0.00 H new ATOM 0 HB3 MET A 9 -21.280 -30.738 -17.989 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.954 -30.870 -18.501 1.00 0.00 H new ATOM 0 HG3 MET A 9 -19.626 -32.464 -18.785 1.00 0.00 H new ATOM 0 HE1 MET A 9 -18.551 -29.350 -21.974 1.00 0.00 H new ATOM 0 HE2 MET A 9 -18.999 -29.082 -20.273 1.00 0.00 H new ATOM 0 HE3 MET A 9 -17.365 -29.655 -20.683 1.00 0.00 H new ATOM 148 N GLU A 10 -23.599 -31.444 -17.829 1.00 0.00 N ATOM 149 CA GLU A 10 -24.860 -31.132 -17.167 1.00 0.00 C ATOM 150 C GLU A 10 -24.689 -29.946 -16.224 1.00 0.00 C ATOM 151 O GLU A 10 -23.565 -29.552 -15.912 1.00 0.00 O ATOM 152 CB GLU A 10 -25.365 -32.350 -16.389 1.00 0.00 C ATOM 153 CG GLU A 10 -26.790 -32.201 -15.883 1.00 0.00 C ATOM 154 CD GLU A 10 -27.540 -33.519 -15.856 1.00 0.00 C ATOM 155 OE1 GLU A 10 -27.465 -34.224 -14.827 1.00 0.00 O ATOM 156 OE2 GLU A 10 -28.199 -33.847 -16.864 1.00 0.00 O ATOM 0 H GLU A 10 -22.844 -31.707 -17.196 1.00 0.00 H new ATOM 0 HA GLU A 10 -25.594 -30.869 -17.929 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -25.306 -33.230 -17.030 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -24.704 -32.528 -15.541 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -26.773 -31.776 -14.879 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -27.325 -31.495 -16.518 1.00 0.00 H new ATOM 163 N ILE A 11 -25.803 -29.370 -15.783 1.00 0.00 N ATOM 164 CA ILE A 11 -25.760 -28.223 -14.889 1.00 0.00 C ATOM 165 C ILE A 11 -25.745 -28.664 -13.432 1.00 0.00 C ATOM 166 O ILE A 11 -26.742 -29.157 -12.906 1.00 0.00 O ATOM 167 CB ILE A 11 -26.967 -27.300 -15.121 1.00 0.00 C ATOM 168 CG1 ILE A 11 -27.202 -27.114 -16.623 1.00 0.00 C ATOM 169 CG2 ILE A 11 -26.756 -25.959 -14.430 1.00 0.00 C ATOM 170 CD1 ILE A 11 -26.215 -26.173 -17.281 1.00 0.00 C ATOM 0 H ILE A 11 -26.743 -29.679 -16.030 1.00 0.00 H new ATOM 0 HA ILE A 11 -24.842 -27.678 -15.108 1.00 0.00 H new ATOM 0 HB ILE A 11 -27.854 -27.762 -14.688 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -27.147 -28.086 -17.114 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -28.212 -26.735 -16.780 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -27.621 -25.319 -14.606 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -26.633 -26.117 -13.359 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -25.863 -25.480 -14.831 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -26.444 -26.091 -18.344 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -26.286 -25.189 -16.817 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -25.204 -26.561 -17.156 1.00 0.00 H new ATOM 182 N THR A 12 -24.598 -28.477 -12.792 1.00 0.00 N ATOM 183 CA THR A 12 -24.428 -28.846 -11.393 1.00 0.00 C ATOM 184 C THR A 12 -24.600 -27.633 -10.483 1.00 0.00 C ATOM 185 O THR A 12 -24.452 -26.493 -10.922 1.00 0.00 O ATOM 186 CB THR A 12 -23.045 -29.462 -11.177 1.00 0.00 C ATOM 187 OG1 THR A 12 -22.043 -28.459 -11.184 1.00 0.00 O ATOM 188 CG2 THR A 12 -22.676 -30.487 -12.227 1.00 0.00 C ATOM 0 H THR A 12 -23.768 -28.070 -13.222 1.00 0.00 H new ATOM 0 HA THR A 12 -25.194 -29.579 -11.140 1.00 0.00 H new ATOM 0 HB THR A 12 -23.098 -29.961 -10.209 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.166 -28.872 -11.043 1.00 0.00 H new ATOM 0 HG21 THR A 12 -21.684 -30.884 -12.015 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.403 -31.299 -12.214 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.676 -30.017 -13.210 1.00 0.00 H new ATOM 196 N PRO A 13 -24.899 -27.864 -9.194 1.00 0.00 N ATOM 197 CA PRO A 13 -25.068 -26.784 -8.217 1.00 0.00 C ATOM 198 C PRO A 13 -23.786 -25.981 -8.029 1.00 0.00 C ATOM 199 O PRO A 13 -23.805 -24.893 -7.451 1.00 0.00 O ATOM 200 CB PRO A 13 -25.446 -27.509 -6.919 1.00 0.00 C ATOM 201 CG PRO A 13 -25.865 -28.878 -7.341 1.00 0.00 C ATOM 202 CD PRO A 13 -25.077 -29.188 -8.580 1.00 0.00 C ATOM 0 HA PRO A 13 -25.819 -26.062 -8.538 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -24.601 -27.551 -6.231 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -26.254 -26.992 -6.401 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -25.662 -29.607 -6.557 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -26.936 -28.914 -7.540 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -24.121 -29.656 -8.345 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -25.613 -29.871 -9.240 1.00 0.00 H new ATOM 210 N ALA A 14 -22.672 -26.512 -8.525 1.00 0.00 N ATOM 211 CA ALA A 14 -21.394 -25.828 -8.413 1.00 0.00 C ATOM 212 C ALA A 14 -21.202 -24.859 -9.571 1.00 0.00 C ATOM 213 O ALA A 14 -20.739 -23.734 -9.385 1.00 0.00 O ATOM 214 CB ALA A 14 -20.257 -26.838 -8.373 1.00 0.00 C ATOM 0 H ALA A 14 -22.631 -27.411 -9.006 1.00 0.00 H new ATOM 0 HA ALA A 14 -21.388 -25.258 -7.484 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.306 -26.312 -8.289 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.385 -27.496 -7.513 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -20.264 -27.431 -9.288 1.00 0.00 H new ATOM 220 N ILE A 15 -21.575 -25.304 -10.767 1.00 0.00 N ATOM 221 CA ILE A 15 -21.457 -24.476 -11.956 1.00 0.00 C ATOM 222 C ILE A 15 -22.501 -23.375 -11.915 1.00 0.00 C ATOM 223 O ILE A 15 -22.275 -22.267 -12.404 1.00 0.00 O ATOM 224 CB ILE A 15 -21.639 -25.304 -13.243 1.00 0.00 C ATOM 225 CG1 ILE A 15 -20.717 -26.524 -13.227 1.00 0.00 C ATOM 226 CG2 ILE A 15 -21.366 -24.443 -14.469 1.00 0.00 C ATOM 227 CD1 ILE A 15 -21.140 -27.613 -14.189 1.00 0.00 C ATOM 0 H ILE A 15 -21.961 -26.233 -10.935 1.00 0.00 H new ATOM 0 HA ILE A 15 -20.456 -24.045 -11.967 1.00 0.00 H new ATOM 0 HB ILE A 15 -22.670 -25.653 -13.289 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.704 -26.207 -13.473 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -20.687 -26.934 -12.217 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -21.498 -25.041 -15.371 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -22.060 -23.603 -14.486 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.343 -24.068 -14.430 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -20.441 -28.447 -14.124 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -22.141 -27.958 -13.931 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -21.143 -27.220 -15.206 1.00 0.00 H new ATOM 239 N ARG A 16 -23.640 -23.682 -11.303 1.00 0.00 N ATOM 240 CA ARG A 16 -24.710 -22.713 -11.171 1.00 0.00 C ATOM 241 C ARG A 16 -24.323 -21.667 -10.134 1.00 0.00 C ATOM 242 O ARG A 16 -24.498 -20.467 -10.345 1.00 0.00 O ATOM 243 CB ARG A 16 -26.022 -23.406 -10.778 1.00 0.00 C ATOM 244 CG ARG A 16 -26.182 -23.637 -9.282 1.00 0.00 C ATOM 245 CD ARG A 16 -27.504 -24.316 -8.963 1.00 0.00 C ATOM 246 NE ARG A 16 -27.657 -24.572 -7.533 1.00 0.00 N ATOM 247 CZ ARG A 16 -28.572 -25.392 -7.020 1.00 0.00 C ATOM 248 NH1 ARG A 16 -29.417 -26.035 -7.816 1.00 0.00 N ATOM 249 NH2 ARG A 16 -28.642 -25.569 -5.708 1.00 0.00 N ATOM 0 H ARG A 16 -23.841 -24.594 -10.893 1.00 0.00 H new ATOM 0 HA ARG A 16 -24.866 -22.221 -12.131 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -26.858 -22.804 -11.133 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -26.080 -24.366 -11.291 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -25.359 -24.251 -8.917 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -26.125 -22.683 -8.757 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -28.326 -23.689 -9.309 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -27.569 -25.257 -9.509 1.00 0.00 H new ATOM 0 HE ARG A 16 -27.026 -24.094 -6.890 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -29.367 -25.902 -8.826 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -30.116 -26.662 -7.418 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -27.995 -25.077 -5.092 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -29.343 -26.197 -5.315 1.00 0.00 H new ATOM 263 N GLN A 17 -23.775 -22.141 -9.017 1.00 0.00 N ATOM 264 CA GLN A 17 -23.335 -21.263 -7.942 1.00 0.00 C ATOM 265 C GLN A 17 -22.171 -20.394 -8.401 1.00 0.00 C ATOM 266 O GLN A 17 -22.108 -19.213 -8.061 1.00 0.00 O ATOM 267 CB GLN A 17 -22.947 -22.086 -6.711 1.00 0.00 C ATOM 268 CG GLN A 17 -22.280 -21.277 -5.611 1.00 0.00 C ATOM 269 CD GLN A 17 -20.864 -21.739 -5.323 1.00 0.00 C ATOM 270 OE1 GLN A 17 -20.606 -22.933 -5.170 1.00 0.00 O ATOM 271 NE2 GLN A 17 -19.937 -20.790 -5.246 1.00 0.00 N ATOM 0 H GLN A 17 -23.626 -23.134 -8.835 1.00 0.00 H new ATOM 0 HA GLN A 17 -24.160 -20.605 -7.670 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -23.841 -22.560 -6.307 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -22.273 -22.886 -7.019 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -22.264 -20.225 -5.898 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -22.874 -21.350 -4.700 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -20.196 -19.812 -5.380 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -18.967 -21.039 -5.053 1.00 0.00 H new ATOM 280 N HIS A 18 -21.262 -20.957 -9.188 1.00 0.00 N ATOM 281 CA HIS A 18 -20.135 -20.181 -9.688 1.00 0.00 C ATOM 282 C HIS A 18 -20.648 -19.008 -10.525 1.00 0.00 C ATOM 283 O HIS A 18 -20.271 -17.856 -10.291 1.00 0.00 O ATOM 284 CB HIS A 18 -19.162 -21.056 -10.486 1.00 0.00 C ATOM 285 CG HIS A 18 -18.092 -20.282 -11.195 1.00 0.00 C ATOM 286 ND1 HIS A 18 -17.030 -19.693 -10.541 1.00 0.00 N ATOM 287 CD2 HIS A 18 -17.925 -20.004 -12.510 1.00 0.00 C ATOM 288 CE1 HIS A 18 -16.256 -19.085 -11.424 1.00 0.00 C ATOM 289 NE2 HIS A 18 -16.777 -19.260 -12.625 1.00 0.00 N ATOM 0 H HIS A 18 -21.281 -21.931 -9.489 1.00 0.00 H new ATOM 0 HA HIS A 18 -19.579 -19.786 -8.838 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -18.693 -21.770 -9.810 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -19.725 -21.634 -11.219 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -18.574 -20.310 -13.317 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -15.352 -18.538 -11.201 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -16.389 -18.900 -13.497 1.00 0.00 H new ATOM 298 N VAL A 19 -21.538 -19.285 -11.470 1.00 0.00 N ATOM 299 CA VAL A 19 -22.112 -18.225 -12.284 1.00 0.00 C ATOM 300 C VAL A 19 -22.919 -17.276 -11.407 1.00 0.00 C ATOM 301 O VAL A 19 -22.831 -16.059 -11.548 1.00 0.00 O ATOM 302 CB VAL A 19 -23.020 -18.787 -13.397 1.00 0.00 C ATOM 303 CG1 VAL A 19 -23.753 -17.662 -14.117 1.00 0.00 C ATOM 304 CG2 VAL A 19 -22.207 -19.616 -14.380 1.00 0.00 C ATOM 0 H VAL A 19 -21.874 -20.223 -11.689 1.00 0.00 H new ATOM 0 HA VAL A 19 -21.288 -17.690 -12.755 1.00 0.00 H new ATOM 0 HB VAL A 19 -23.766 -19.435 -12.936 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -24.387 -18.082 -14.898 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -24.369 -17.115 -13.404 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -23.027 -16.983 -14.565 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -22.864 -20.005 -15.158 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -21.437 -18.991 -14.833 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -21.737 -20.447 -13.854 1.00 0.00 H new ATOM 314 N ALA A 20 -23.712 -17.834 -10.503 1.00 0.00 N ATOM 315 CA ALA A 20 -24.523 -17.017 -9.615 1.00 0.00 C ATOM 316 C ALA A 20 -23.661 -16.147 -8.699 1.00 0.00 C ATOM 317 O ALA A 20 -24.021 -15.009 -8.398 1.00 0.00 O ATOM 318 CB ALA A 20 -25.475 -17.869 -8.809 1.00 0.00 C ATOM 0 H ALA A 20 -23.810 -18.840 -10.366 1.00 0.00 H new ATOM 0 HA ALA A 20 -25.113 -16.348 -10.242 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -26.068 -17.231 -8.154 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -26.137 -18.412 -9.483 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -24.908 -18.579 -8.207 1.00 0.00 H new ATOM 324 N ASP A 21 -22.527 -16.683 -8.243 1.00 0.00 N ATOM 325 CA ASP A 21 -21.642 -15.927 -7.353 1.00 0.00 C ATOM 326 C ASP A 21 -21.163 -14.658 -8.046 1.00 0.00 C ATOM 327 O ASP A 21 -21.172 -13.578 -7.456 1.00 0.00 O ATOM 328 CB ASP A 21 -20.448 -16.774 -6.877 1.00 0.00 C ATOM 329 CG ASP A 21 -19.312 -16.861 -7.884 1.00 0.00 C ATOM 330 OD1 ASP A 21 -18.764 -15.804 -8.259 1.00 0.00 O ATOM 331 OD2 ASP A 21 -18.952 -17.987 -8.275 1.00 0.00 O ATOM 0 H ASP A 21 -22.203 -17.623 -8.470 1.00 0.00 H new ATOM 0 HA ASP A 21 -22.214 -15.653 -6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -20.065 -16.353 -5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -20.797 -17.781 -6.651 1.00 0.00 H new ATOM 336 N ARG A 22 -20.776 -14.787 -9.314 1.00 0.00 N ATOM 337 CA ARG A 22 -20.333 -13.630 -10.082 1.00 0.00 C ATOM 338 C ARG A 22 -21.549 -12.792 -10.464 1.00 0.00 C ATOM 339 O ARG A 22 -21.440 -11.620 -10.826 1.00 0.00 O ATOM 340 CB ARG A 22 -19.554 -14.069 -11.317 1.00 0.00 C ATOM 341 CG ARG A 22 -20.386 -14.804 -12.333 1.00 0.00 C ATOM 342 CD ARG A 22 -21.109 -13.840 -13.250 1.00 0.00 C ATOM 343 NE ARG A 22 -22.295 -14.440 -13.859 1.00 0.00 N ATOM 344 CZ ARG A 22 -22.928 -13.927 -14.912 1.00 0.00 C ATOM 345 NH1 ARG A 22 -22.515 -12.789 -15.454 1.00 0.00 N ATOM 346 NH2 ARG A 22 -23.982 -14.552 -15.420 1.00 0.00 N ATOM 0 H ARG A 22 -20.761 -15.670 -9.824 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.661 -13.024 -9.474 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -19.115 -13.190 -11.789 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.729 -14.710 -11.005 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -19.747 -15.461 -12.923 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -21.111 -15.438 -11.823 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -21.401 -12.955 -12.686 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -20.429 -13.508 -14.034 1.00 0.00 H new ATOM 0 HE ARG A 22 -22.659 -15.302 -13.453 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -21.708 -12.302 -15.064 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -23.004 -12.401 -16.261 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -24.307 -15.425 -15.004 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -24.468 -14.160 -16.227 1.00 0.00 H new ATOM 360 N LEU A 23 -22.712 -13.427 -10.348 1.00 0.00 N ATOM 361 CA LEU A 23 -23.996 -12.826 -10.631 1.00 0.00 C ATOM 362 C LEU A 23 -24.330 -11.788 -9.565 1.00 0.00 C ATOM 363 O LEU A 23 -24.432 -10.595 -9.852 1.00 0.00 O ATOM 364 CB LEU A 23 -25.027 -13.954 -10.624 1.00 0.00 C ATOM 365 CG LEU A 23 -26.084 -13.938 -11.713 1.00 0.00 C ATOM 366 CD1 LEU A 23 -26.992 -12.739 -11.533 1.00 0.00 C ATOM 367 CD2 LEU A 23 -25.437 -13.927 -13.089 1.00 0.00 C ATOM 0 H LEU A 23 -22.781 -14.399 -10.046 1.00 0.00 H new ATOM 0 HA LEU A 23 -23.990 -12.319 -11.596 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -24.491 -14.901 -10.688 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -25.536 -13.940 -9.660 1.00 0.00 H new ATOM 0 HG LEU A 23 -26.685 -14.844 -11.634 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -27.748 -12.734 -12.318 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -27.480 -12.795 -10.560 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -26.402 -11.824 -11.591 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -26.212 -13.916 -13.855 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -24.813 -13.039 -13.191 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -24.821 -14.819 -13.209 1.00 0.00 H new ATOM 379 N ALA A 24 -24.483 -12.254 -8.333 1.00 0.00 N ATOM 380 CA ALA A 24 -24.790 -11.375 -7.211 1.00 0.00 C ATOM 381 C ALA A 24 -23.663 -10.374 -6.970 1.00 0.00 C ATOM 382 O ALA A 24 -23.871 -9.326 -6.359 1.00 0.00 O ATOM 383 CB ALA A 24 -25.055 -12.191 -5.955 1.00 0.00 C ATOM 0 H ALA A 24 -24.399 -13.240 -8.084 1.00 0.00 H new ATOM 0 HA ALA A 24 -25.690 -10.813 -7.460 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -25.283 -11.520 -5.127 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -25.901 -12.857 -6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -24.172 -12.781 -5.712 1.00 0.00 H new ATOM 389 N LYS A 25 -22.470 -10.700 -7.457 1.00 0.00 N ATOM 390 CA LYS A 25 -21.312 -9.827 -7.298 1.00 0.00 C ATOM 391 C LYS A 25 -21.335 -8.698 -8.325 1.00 0.00 C ATOM 392 O LYS A 25 -20.827 -7.606 -8.077 1.00 0.00 O ATOM 393 CB LYS A 25 -20.023 -10.633 -7.447 1.00 0.00 C ATOM 394 CG LYS A 25 -18.769 -9.845 -7.108 1.00 0.00 C ATOM 395 CD LYS A 25 -18.199 -9.150 -8.334 1.00 0.00 C ATOM 396 CE LYS A 25 -17.699 -7.753 -8.001 1.00 0.00 C ATOM 397 NZ LYS A 25 -16.443 -7.424 -8.730 1.00 0.00 N ATOM 0 H LYS A 25 -22.280 -11.563 -7.966 1.00 0.00 H new ATOM 0 HA LYS A 25 -21.352 -9.389 -6.301 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -20.076 -11.510 -6.802 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -19.948 -10.996 -8.472 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.000 -9.104 -6.343 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -18.020 -10.515 -6.687 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -17.380 -9.743 -8.742 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.964 -9.089 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.467 -7.023 -8.254 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.527 -7.675 -6.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.135 -6.464 -8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.702 -8.105 -8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.613 -7.473 -9.755 1.00 0.00 H new ATOM 411 N LEU A 26 -21.924 -8.979 -9.483 1.00 0.00 N ATOM 412 CA LEU A 26 -22.014 -8.003 -10.562 1.00 0.00 C ATOM 413 C LEU A 26 -23.141 -7.004 -10.305 1.00 0.00 C ATOM 414 O LEU A 26 -24.086 -6.898 -11.087 1.00 0.00 O ATOM 415 CB LEU A 26 -22.238 -8.721 -11.896 1.00 0.00 C ATOM 416 CG LEU A 26 -20.985 -9.345 -12.517 1.00 0.00 C ATOM 417 CD1 LEU A 26 -21.352 -10.565 -13.346 1.00 0.00 C ATOM 418 CD2 LEU A 26 -20.243 -8.327 -13.369 1.00 0.00 C ATOM 0 H LEU A 26 -22.349 -9.881 -9.698 1.00 0.00 H new ATOM 0 HA LEU A 26 -21.076 -7.450 -10.605 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -22.980 -9.505 -11.748 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -22.661 -8.011 -12.606 1.00 0.00 H new ATOM 0 HG LEU A 26 -20.325 -9.661 -11.709 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -20.449 -10.995 -13.780 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -21.837 -11.305 -12.709 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -22.033 -10.271 -14.144 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.356 -8.791 -13.801 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -20.896 -7.977 -14.169 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -19.945 -7.482 -12.749 1.00 0.00 H new ATOM 592 N PRO A 36 -30.980 -13.645 -19.656 1.00 0.00 N ATOM 593 CA PRO A 36 -29.656 -13.979 -20.181 1.00 0.00 C ATOM 594 C PRO A 36 -29.490 -15.484 -20.357 1.00 0.00 C ATOM 595 O PRO A 36 -30.123 -16.272 -19.654 1.00 0.00 O ATOM 596 CB PRO A 36 -28.709 -13.450 -19.104 1.00 0.00 C ATOM 597 CG PRO A 36 -29.495 -13.542 -17.842 1.00 0.00 C ATOM 598 CD PRO A 36 -30.936 -13.303 -18.221 1.00 0.00 C ATOM 0 HA PRO A 36 -29.472 -13.550 -21.166 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -27.798 -14.045 -19.049 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -28.407 -12.423 -19.310 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -29.372 -14.521 -17.378 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -29.156 -12.801 -17.118 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -31.613 -13.929 -17.639 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -31.230 -12.268 -18.047 1.00 0.00 H new ATOM 606 N HIS A 37 -28.652 -15.883 -21.309 1.00 0.00 N ATOM 607 CA HIS A 37 -28.430 -17.299 -21.578 1.00 0.00 C ATOM 608 C HIS A 37 -26.948 -17.624 -21.728 1.00 0.00 C ATOM 609 O HIS A 37 -26.212 -16.935 -22.436 1.00 0.00 O ATOM 610 CB HIS A 37 -29.181 -17.717 -22.844 1.00 0.00 C ATOM 611 CG HIS A 37 -29.586 -19.159 -22.851 1.00 0.00 C ATOM 612 ND1 HIS A 37 -30.819 -19.593 -23.288 1.00 0.00 N ATOM 613 CD2 HIS A 37 -28.912 -20.270 -22.469 1.00 0.00 C ATOM 614 CE1 HIS A 37 -30.887 -20.908 -23.175 1.00 0.00 C ATOM 615 NE2 HIS A 37 -29.743 -21.343 -22.682 1.00 0.00 N ATOM 0 H HIS A 37 -28.118 -15.249 -21.904 1.00 0.00 H new ATOM 0 HA HIS A 37 -28.810 -17.858 -20.723 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -30.072 -17.097 -22.950 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -28.551 -17.521 -23.712 1.00 0.00 H new ATOM 0 HD1 HIS A 37 -31.563 -18.993 -23.643 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -27.909 -20.306 -22.071 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -31.735 -21.522 -23.441 1.00 0.00 H new ATOM 624 N ILE A 38 -26.526 -18.690 -21.057 1.00 0.00 N ATOM 625 CA ILE A 38 -25.140 -19.140 -21.103 1.00 0.00 C ATOM 626 C ILE A 38 -25.057 -20.573 -21.617 1.00 0.00 C ATOM 627 O ILE A 38 -25.792 -21.450 -21.167 1.00 0.00 O ATOM 628 CB ILE A 38 -24.473 -19.069 -19.714 1.00 0.00 C ATOM 629 CG1 ILE A 38 -24.823 -17.753 -19.016 1.00 0.00 C ATOM 630 CG2 ILE A 38 -22.965 -19.220 -19.844 1.00 0.00 C ATOM 631 CD1 ILE A 38 -24.277 -16.530 -19.721 1.00 0.00 C ATOM 0 H ILE A 38 -27.131 -19.263 -20.469 1.00 0.00 H new ATOM 0 HA ILE A 38 -24.610 -18.472 -21.782 1.00 0.00 H new ATOM 0 HB ILE A 38 -24.852 -19.890 -19.105 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -25.907 -17.667 -18.944 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -24.437 -17.778 -17.997 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -22.508 -19.168 -18.856 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -22.734 -20.182 -20.301 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -22.572 -18.418 -20.469 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -24.564 -15.634 -19.170 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -23.190 -16.593 -19.770 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -24.683 -16.481 -20.731 1.00 0.00 H new ATOM 643 N ILE A 39 -24.156 -20.801 -22.568 1.00 0.00 N ATOM 644 CA ILE A 39 -23.976 -22.126 -23.148 1.00 0.00 C ATOM 645 C ILE A 39 -22.556 -22.633 -22.921 1.00 0.00 C ATOM 646 O ILE A 39 -21.605 -21.853 -22.901 1.00 0.00 O ATOM 647 CB ILE A 39 -24.272 -22.122 -24.660 1.00 0.00 C ATOM 648 CG1 ILE A 39 -25.619 -21.451 -24.936 1.00 0.00 C ATOM 649 CG2 ILE A 39 -24.258 -23.542 -25.208 1.00 0.00 C ATOM 650 CD1 ILE A 39 -25.879 -21.199 -26.405 1.00 0.00 C ATOM 0 H ILE A 39 -23.540 -20.085 -22.953 1.00 0.00 H new ATOM 0 HA ILE A 39 -24.682 -22.790 -22.650 1.00 0.00 H new ATOM 0 HB ILE A 39 -23.493 -21.552 -25.166 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -26.416 -22.078 -24.536 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -25.660 -20.503 -24.400 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -24.469 -23.521 -26.277 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -23.277 -23.987 -25.040 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -25.018 -24.136 -24.700 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -26.851 -20.721 -26.526 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -25.102 -20.547 -26.805 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -25.871 -22.147 -26.944 1.00 0.00 H new ATOM 662 N LEU A 40 -22.419 -23.944 -22.751 1.00 0.00 N ATOM 663 CA LEU A 40 -21.113 -24.555 -22.525 1.00 0.00 C ATOM 664 C LEU A 40 -20.837 -25.642 -23.557 1.00 0.00 C ATOM 665 O LEU A 40 -21.633 -26.563 -23.736 1.00 0.00 O ATOM 666 CB LEU A 40 -21.042 -25.146 -21.116 1.00 0.00 C ATOM 667 CG LEU A 40 -21.504 -24.210 -19.997 1.00 0.00 C ATOM 668 CD1 LEU A 40 -22.219 -24.992 -18.907 1.00 0.00 C ATOM 669 CD2 LEU A 40 -20.319 -23.450 -19.421 1.00 0.00 C ATOM 0 H LEU A 40 -23.196 -24.604 -22.765 1.00 0.00 H new ATOM 0 HA LEU A 40 -20.353 -23.780 -22.627 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -21.650 -26.050 -21.087 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -20.014 -25.447 -20.916 1.00 0.00 H new ATOM 0 HG LEU A 40 -22.206 -23.490 -20.416 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -22.540 -24.309 -18.120 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -23.090 -25.493 -19.330 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -21.541 -25.735 -18.488 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -20.663 -22.788 -18.626 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -19.595 -24.157 -19.016 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -19.849 -22.859 -20.207 1.00 0.00 H new ATOM 681 N SER A 41 -19.697 -25.527 -24.228 1.00 0.00 N ATOM 682 CA SER A 41 -19.299 -26.498 -25.239 1.00 0.00 C ATOM 683 C SER A 41 -17.940 -27.096 -24.896 1.00 0.00 C ATOM 684 O SER A 41 -17.394 -26.845 -23.822 1.00 0.00 O ATOM 685 CB SER A 41 -19.251 -25.840 -26.621 1.00 0.00 C ATOM 686 OG SER A 41 -19.321 -24.428 -26.520 1.00 0.00 O ATOM 0 H SER A 41 -19.030 -24.768 -24.089 1.00 0.00 H new ATOM 0 HA SER A 41 -20.039 -27.299 -25.258 1.00 0.00 H new ATOM 0 HB2 SER A 41 -18.331 -26.125 -27.131 1.00 0.00 H new ATOM 0 HB3 SER A 41 -20.079 -26.205 -27.229 1.00 0.00 H new ATOM 0 HG SER A 41 -19.287 -24.034 -27.417 1.00 0.00 H new ATOM 692 N LYS A 42 -17.399 -27.892 -25.811 1.00 0.00 N ATOM 693 CA LYS A 42 -16.106 -28.526 -25.595 1.00 0.00 C ATOM 694 C LYS A 42 -15.520 -29.044 -26.900 1.00 0.00 C ATOM 695 O LYS A 42 -16.222 -29.610 -27.738 1.00 0.00 O ATOM 696 CB LYS A 42 -16.243 -29.675 -24.594 1.00 0.00 C ATOM 697 CG LYS A 42 -14.926 -30.368 -24.280 1.00 0.00 C ATOM 698 CD LYS A 42 -15.145 -31.641 -23.481 1.00 0.00 C ATOM 699 CE LYS A 42 -13.825 -32.301 -23.113 1.00 0.00 C ATOM 700 NZ LYS A 42 -14.021 -33.458 -22.195 1.00 0.00 N ATOM 0 H LYS A 42 -17.835 -28.113 -26.706 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.427 -27.774 -25.192 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.672 -29.291 -23.668 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -16.945 -30.409 -24.990 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -14.407 -30.605 -25.209 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -14.282 -29.691 -23.719 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -15.704 -31.411 -22.574 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -15.752 -32.336 -24.061 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.322 -32.638 -24.019 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -13.172 -31.568 -22.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -13.098 -33.881 -21.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.478 -33.133 -21.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.623 -34.169 -22.656 1.00 0.00 H new ATOM 714 N GLU A 43 -14.219 -28.853 -27.048 1.00 0.00 N ATOM 715 CA GLU A 43 -13.490 -29.299 -28.222 1.00 0.00 C ATOM 716 C GLU A 43 -12.246 -30.062 -27.785 1.00 0.00 C ATOM 717 O GLU A 43 -11.780 -29.899 -26.657 1.00 0.00 O ATOM 718 CB GLU A 43 -13.091 -28.100 -29.085 1.00 0.00 C ATOM 719 CG GLU A 43 -14.237 -27.527 -29.900 1.00 0.00 C ATOM 720 CD GLU A 43 -14.373 -28.187 -31.258 1.00 0.00 C ATOM 721 OE1 GLU A 43 -13.993 -29.369 -31.384 1.00 0.00 O ATOM 722 OE2 GLU A 43 -14.860 -27.520 -32.196 1.00 0.00 O ATOM 0 H GLU A 43 -13.638 -28.383 -26.354 1.00 0.00 H new ATOM 0 HA GLU A 43 -14.130 -29.955 -28.813 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.688 -27.318 -28.441 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.290 -28.400 -29.761 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -15.168 -27.648 -29.346 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -14.083 -26.456 -30.034 1.00 0.00 H new ATOM 729 N PRO A 44 -11.683 -30.907 -28.657 1.00 0.00 N ATOM 730 CA PRO A 44 -10.485 -31.682 -28.323 1.00 0.00 C ATOM 731 C PRO A 44 -9.358 -30.810 -27.787 1.00 0.00 C ATOM 732 O PRO A 44 -8.471 -31.282 -27.074 1.00 0.00 O ATOM 733 CB PRO A 44 -10.086 -32.306 -29.658 1.00 0.00 C ATOM 734 CG PRO A 44 -11.354 -32.380 -30.437 1.00 0.00 C ATOM 735 CD PRO A 44 -12.158 -31.177 -30.026 1.00 0.00 C ATOM 0 HA PRO A 44 -10.678 -32.410 -27.535 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -9.341 -31.699 -30.172 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -9.649 -33.295 -29.518 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -11.156 -32.370 -31.509 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -11.892 -33.303 -30.221 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.982 -30.329 -30.688 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.228 -31.381 -30.048 1.00 0.00 H new ATOM 743 N GLN A 45 -9.397 -29.542 -28.153 1.00 0.00 N ATOM 744 CA GLN A 45 -8.382 -28.585 -27.740 1.00 0.00 C ATOM 745 C GLN A 45 -8.721 -27.900 -26.411 1.00 0.00 C ATOM 746 O GLN A 45 -7.906 -27.149 -25.876 1.00 0.00 O ATOM 747 CB GLN A 45 -8.179 -27.532 -28.831 1.00 0.00 C ATOM 748 CG GLN A 45 -6.735 -27.397 -29.285 1.00 0.00 C ATOM 749 CD GLN A 45 -6.588 -27.448 -30.793 1.00 0.00 C ATOM 750 OE1 GLN A 45 -7.461 -27.957 -31.497 1.00 0.00 O ATOM 751 NE2 GLN A 45 -5.479 -26.919 -31.298 1.00 0.00 N ATOM 0 H GLN A 45 -10.129 -29.146 -28.742 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.460 -29.145 -27.587 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -8.799 -27.787 -29.690 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.527 -26.567 -28.462 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.329 -26.455 -28.916 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -6.142 -28.196 -28.839 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -4.782 -26.508 -30.677 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -5.325 -26.924 -32.306 1.00 0.00 H new ATOM 760 N GLY A 46 -9.914 -28.155 -25.877 1.00 0.00 N ATOM 761 CA GLY A 46 -10.301 -27.539 -24.618 1.00 0.00 C ATOM 762 C GLY A 46 -11.791 -27.299 -24.535 1.00 0.00 C ATOM 763 O GLY A 46 -12.555 -27.907 -25.272 1.00 0.00 O ATOM 0 H GLY A 46 -10.614 -28.772 -26.289 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -9.991 -28.179 -23.792 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -9.775 -26.591 -24.502 1.00 0.00 H new ATOM 767 N PHE A 47 -12.213 -26.415 -23.637 1.00 0.00 N ATOM 768 CA PHE A 47 -13.635 -26.118 -23.482 1.00 0.00 C ATOM 769 C PHE A 47 -13.976 -24.710 -23.943 1.00 0.00 C ATOM 770 O PHE A 47 -13.128 -23.818 -23.968 1.00 0.00 O ATOM 771 CB PHE A 47 -14.060 -26.315 -22.036 1.00 0.00 C ATOM 772 CG PHE A 47 -13.610 -27.633 -21.507 1.00 0.00 C ATOM 773 CD1 PHE A 47 -12.297 -27.813 -21.130 1.00 0.00 C ATOM 774 CD2 PHE A 47 -14.487 -28.696 -21.419 1.00 0.00 C ATOM 775 CE1 PHE A 47 -11.858 -29.029 -20.665 1.00 0.00 C ATOM 776 CE2 PHE A 47 -14.059 -29.923 -20.956 1.00 0.00 C ATOM 777 CZ PHE A 47 -12.739 -30.091 -20.577 1.00 0.00 C ATOM 0 H PHE A 47 -11.598 -25.895 -23.010 1.00 0.00 H new ATOM 0 HA PHE A 47 -14.185 -26.813 -24.117 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -13.646 -25.515 -21.422 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -15.145 -26.244 -21.962 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -11.604 -26.988 -21.201 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -15.517 -28.566 -21.715 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.827 -29.155 -20.369 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -14.751 -30.749 -20.890 1.00 0.00 H new ATOM 0 HZ PHE A 47 -12.398 -31.049 -20.213 1.00 0.00 H new ATOM 787 N VAL A 48 -15.236 -24.537 -24.321 1.00 0.00 N ATOM 788 CA VAL A 48 -15.728 -23.259 -24.805 1.00 0.00 C ATOM 789 C VAL A 48 -16.977 -22.828 -24.040 1.00 0.00 C ATOM 790 O VAL A 48 -17.851 -23.644 -23.752 1.00 0.00 O ATOM 791 CB VAL A 48 -16.053 -23.344 -26.309 1.00 0.00 C ATOM 792 CG1 VAL A 48 -16.668 -22.045 -26.811 1.00 0.00 C ATOM 793 CG2 VAL A 48 -14.804 -23.691 -27.103 1.00 0.00 C ATOM 0 H VAL A 48 -15.940 -25.275 -24.300 1.00 0.00 H new ATOM 0 HA VAL A 48 -14.945 -22.518 -24.644 1.00 0.00 H new ATOM 0 HB VAL A 48 -16.786 -24.137 -26.454 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -16.887 -22.134 -27.875 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -17.590 -21.845 -26.266 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -15.967 -21.225 -26.652 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -15.051 -23.747 -28.163 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -14.048 -22.922 -26.947 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -14.416 -24.654 -26.769 1.00 0.00 H new ATOM 803 N ALA A 49 -17.058 -21.541 -23.725 1.00 0.00 N ATOM 804 CA ALA A 49 -18.206 -21.003 -23.007 1.00 0.00 C ATOM 805 C ALA A 49 -18.738 -19.760 -23.709 1.00 0.00 C ATOM 806 O ALA A 49 -18.003 -18.795 -23.908 1.00 0.00 O ATOM 807 CB ALA A 49 -17.826 -20.679 -21.569 1.00 0.00 C ATOM 0 H ALA A 49 -16.343 -20.851 -23.955 1.00 0.00 H new ATOM 0 HA ALA A 49 -18.993 -21.757 -22.997 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -18.694 -20.278 -21.045 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -17.487 -21.586 -21.069 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.025 -19.940 -21.562 1.00 0.00 H new ATOM 813 N ASP A 50 -20.010 -19.785 -24.091 1.00 0.00 N ATOM 814 CA ASP A 50 -20.613 -18.647 -24.779 1.00 0.00 C ATOM 815 C ASP A 50 -21.786 -18.085 -23.986 1.00 0.00 C ATOM 816 O ASP A 50 -22.501 -18.823 -23.311 1.00 0.00 O ATOM 817 CB ASP A 50 -21.082 -19.060 -26.175 1.00 0.00 C ATOM 818 CG ASP A 50 -19.925 -19.312 -27.123 1.00 0.00 C ATOM 819 OD1 ASP A 50 -18.813 -18.815 -26.847 1.00 0.00 O ATOM 820 OD2 ASP A 50 -20.132 -20.007 -28.139 1.00 0.00 O ATOM 0 H ASP A 50 -20.640 -20.573 -23.938 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.855 -17.869 -24.869 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -21.689 -19.962 -26.099 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -21.722 -18.279 -26.586 1.00 0.00 H new ATOM 825 N ALA A 51 -21.981 -16.774 -24.075 1.00 0.00 N ATOM 826 CA ALA A 51 -23.075 -16.124 -23.366 1.00 0.00 C ATOM 827 C ALA A 51 -23.669 -14.988 -24.191 1.00 0.00 C ATOM 828 O ALA A 51 -22.941 -14.229 -24.829 1.00 0.00 O ATOM 829 CB ALA A 51 -22.598 -15.603 -22.018 1.00 0.00 C ATOM 0 H ALA A 51 -21.399 -16.144 -24.628 1.00 0.00 H new ATOM 0 HA ALA A 51 -23.856 -16.866 -23.201 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -23.427 -15.120 -21.501 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -22.229 -16.434 -21.416 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -21.795 -14.881 -22.170 1.00 0.00 H new ATOM 835 N THR A 52 -24.990 -14.872 -24.169 1.00 0.00 N ATOM 836 CA THR A 52 -25.668 -13.819 -24.914 1.00 0.00 C ATOM 837 C THR A 52 -26.755 -13.181 -24.057 1.00 0.00 C ATOM 838 O THR A 52 -27.570 -13.883 -23.458 1.00 0.00 O ATOM 839 CB THR A 52 -26.278 -14.382 -26.199 1.00 0.00 C ATOM 840 OG1 THR A 52 -25.400 -15.317 -26.801 1.00 0.00 O ATOM 841 CG2 THR A 52 -26.592 -13.319 -27.228 1.00 0.00 C ATOM 0 H THR A 52 -25.611 -15.490 -23.647 1.00 0.00 H new ATOM 0 HA THR A 52 -24.935 -13.057 -25.179 1.00 0.00 H new ATOM 0 HB THR A 52 -27.211 -14.855 -25.894 1.00 0.00 H new ATOM 0 HG1 THR A 52 -25.807 -15.668 -27.620 1.00 0.00 H new ATOM 0 HG21 THR A 52 -27.022 -13.786 -28.114 1.00 0.00 H new ATOM 0 HG22 THR A 52 -27.305 -12.608 -26.811 1.00 0.00 H new ATOM 0 HG23 THR A 52 -25.676 -12.796 -27.502 1.00 0.00 H new ATOM 849 N ILE A 53 -26.766 -11.856 -23.992 1.00 0.00 N ATOM 850 CA ILE A 53 -27.759 -11.148 -23.197 1.00 0.00 C ATOM 851 C ILE A 53 -28.389 -10.008 -23.989 1.00 0.00 C ATOM 852 O ILE A 53 -27.693 -9.239 -24.651 1.00 0.00 O ATOM 853 CB ILE A 53 -27.139 -10.588 -21.903 1.00 0.00 C ATOM 854 CG1 ILE A 53 -26.330 -11.678 -21.195 1.00 0.00 C ATOM 855 CG2 ILE A 53 -28.224 -10.043 -20.987 1.00 0.00 C ATOM 856 CD1 ILE A 53 -25.389 -11.146 -20.137 1.00 0.00 C ATOM 0 H ILE A 53 -26.102 -11.253 -24.478 1.00 0.00 H new ATOM 0 HA ILE A 53 -28.534 -11.869 -22.937 1.00 0.00 H new ATOM 0 HB ILE A 53 -26.468 -9.768 -22.160 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -27.018 -12.387 -20.734 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -25.753 -12.230 -21.937 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -27.769 -9.651 -20.077 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -28.763 -9.244 -21.496 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -28.919 -10.843 -20.730 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -24.850 -11.975 -19.679 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -24.677 -10.460 -20.595 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -25.961 -10.619 -19.373 1.00 0.00 H new ATOM 868 N ASN A 54 -29.711 -9.903 -23.909 1.00 0.00 N ATOM 869 CA ASN A 54 -30.444 -8.854 -24.609 1.00 0.00 C ATOM 870 C ASN A 54 -30.861 -7.746 -23.649 1.00 0.00 C ATOM 871 O ASN A 54 -31.606 -7.980 -22.697 1.00 0.00 O ATOM 872 CB ASN A 54 -31.680 -9.438 -25.295 1.00 0.00 C ATOM 873 CG ASN A 54 -31.342 -10.607 -26.199 1.00 0.00 C ATOM 874 OD1 ASN A 54 -31.175 -11.736 -25.737 1.00 0.00 O ATOM 875 ND2 ASN A 54 -31.239 -10.341 -27.496 1.00 0.00 N ATOM 0 H ASN A 54 -30.299 -10.534 -23.364 1.00 0.00 H new ATOM 0 HA ASN A 54 -29.783 -8.427 -25.363 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -32.393 -9.763 -24.537 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -32.169 -8.659 -25.880 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -31.013 -11.088 -28.153 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -31.386 -9.390 -27.835 1.00 0.00 H new ATOM 882 N THR A 55 -30.380 -6.537 -23.915 1.00 0.00 N ATOM 883 CA THR A 55 -30.705 -5.383 -23.086 1.00 0.00 C ATOM 884 C THR A 55 -31.568 -4.393 -23.866 1.00 0.00 C ATOM 885 O THR A 55 -31.557 -4.388 -25.096 1.00 0.00 O ATOM 886 CB THR A 55 -29.428 -4.697 -22.598 1.00 0.00 C ATOM 887 OG1 THR A 55 -28.750 -4.073 -23.675 1.00 0.00 O ATOM 888 CG2 THR A 55 -28.456 -5.646 -21.930 1.00 0.00 C ATOM 0 H THR A 55 -29.762 -6.331 -24.700 1.00 0.00 H new ATOM 0 HA THR A 55 -31.267 -5.731 -22.219 1.00 0.00 H new ATOM 0 HB THR A 55 -29.758 -3.964 -21.862 1.00 0.00 H new ATOM 0 HG1 THR A 55 -29.222 -4.263 -24.513 1.00 0.00 H new ATOM 0 HG21 THR A 55 -27.573 -5.095 -21.608 1.00 0.00 H new ATOM 0 HG22 THR A 55 -28.933 -6.105 -21.064 1.00 0.00 H new ATOM 0 HG23 THR A 55 -28.162 -6.422 -22.636 1.00 0.00 H new ATOM 896 N PRO A 56 -32.332 -3.543 -23.162 1.00 0.00 N ATOM 897 CA PRO A 56 -33.204 -2.553 -23.801 1.00 0.00 C ATOM 898 C PRO A 56 -32.425 -1.522 -24.616 1.00 0.00 C ATOM 899 O PRO A 56 -33.004 -0.785 -25.414 1.00 0.00 O ATOM 900 CB PRO A 56 -33.919 -1.874 -22.625 1.00 0.00 C ATOM 901 CG PRO A 56 -33.729 -2.793 -21.465 1.00 0.00 C ATOM 902 CD PRO A 56 -32.415 -3.480 -21.694 1.00 0.00 C ATOM 0 HA PRO A 56 -33.883 -3.023 -24.512 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -33.495 -0.891 -22.421 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -34.977 -1.726 -22.840 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -33.722 -2.240 -20.526 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -34.542 -3.516 -21.403 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -31.585 -2.918 -21.266 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -32.394 -4.473 -21.245 1.00 0.00 H new ATOM 910 N ASN A 57 -31.111 -1.469 -24.408 1.00 0.00 N ATOM 911 CA ASN A 57 -30.265 -0.519 -25.125 1.00 0.00 C ATOM 912 C ASN A 57 -29.231 -1.235 -25.992 1.00 0.00 C ATOM 913 O ASN A 57 -28.186 -0.673 -26.315 1.00 0.00 O ATOM 914 CB ASN A 57 -29.557 0.407 -24.135 1.00 0.00 C ATOM 915 CG ASN A 57 -30.523 1.078 -23.179 1.00 0.00 C ATOM 916 OD1 ASN A 57 -31.410 1.822 -23.594 1.00 0.00 O ATOM 917 ND2 ASN A 57 -30.352 0.817 -21.888 1.00 0.00 N ATOM 0 H ASN A 57 -30.612 -2.070 -23.752 1.00 0.00 H new ATOM 0 HA ASN A 57 -30.908 0.070 -25.779 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -28.825 -0.166 -23.565 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -29.006 1.170 -24.685 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -30.970 1.240 -21.196 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -29.602 0.193 -21.589 1.00 0.00 H new ATOM 924 N GLY A 58 -29.529 -2.475 -26.372 1.00 0.00 N ATOM 925 CA GLY A 58 -28.608 -3.233 -27.202 1.00 0.00 C ATOM 926 C GLY A 58 -28.420 -4.658 -26.721 1.00 0.00 C ATOM 927 O GLY A 58 -29.172 -5.140 -25.875 1.00 0.00 O ATOM 0 H GLY A 58 -30.387 -2.966 -26.122 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -28.977 -3.246 -28.227 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -27.642 -2.729 -27.218 1.00 0.00 H new ATOM 931 N VAL A 59 -27.411 -5.332 -27.265 1.00 0.00 N ATOM 932 CA VAL A 59 -27.122 -6.712 -26.890 1.00 0.00 C ATOM 933 C VAL A 59 -25.619 -6.938 -26.757 1.00 0.00 C ATOM 934 O VAL A 59 -24.830 -6.388 -27.526 1.00 0.00 O ATOM 935 CB VAL A 59 -27.689 -7.705 -27.922 1.00 0.00 C ATOM 936 CG1 VAL A 59 -27.617 -9.127 -27.391 1.00 0.00 C ATOM 937 CG2 VAL A 59 -29.119 -7.337 -28.289 1.00 0.00 C ATOM 0 H VAL A 59 -26.780 -4.945 -27.967 1.00 0.00 H new ATOM 0 HA VAL A 59 -27.602 -6.887 -25.927 1.00 0.00 H new ATOM 0 HB VAL A 59 -27.081 -7.648 -28.825 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -28.022 -9.814 -28.134 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -26.579 -9.386 -27.185 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -28.199 -9.202 -26.472 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -29.502 -8.050 -29.019 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -29.742 -7.363 -27.395 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -29.138 -6.334 -28.716 1.00 0.00 H new ATOM 947 N LEU A 60 -25.229 -7.746 -25.775 1.00 0.00 N ATOM 948 CA LEU A 60 -23.819 -8.037 -25.543 1.00 0.00 C ATOM 949 C LEU A 60 -23.523 -9.518 -25.758 1.00 0.00 C ATOM 950 O LEU A 60 -24.389 -10.370 -25.561 1.00 0.00 O ATOM 951 CB LEU A 60 -23.419 -7.626 -24.125 1.00 0.00 C ATOM 952 CG LEU A 60 -23.687 -6.161 -23.776 1.00 0.00 C ATOM 953 CD1 LEU A 60 -23.748 -5.975 -22.268 1.00 0.00 C ATOM 954 CD2 LEU A 60 -22.618 -5.266 -24.383 1.00 0.00 C ATOM 0 H LEU A 60 -25.868 -8.209 -25.129 1.00 0.00 H new ATOM 0 HA LEU A 60 -23.234 -7.462 -26.261 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -23.955 -8.257 -23.415 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -22.356 -7.827 -23.991 1.00 0.00 H new ATOM 0 HG LEU A 60 -24.652 -5.877 -24.196 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -23.939 -4.927 -22.038 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -24.550 -6.589 -21.858 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -22.798 -6.276 -21.826 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -22.824 -4.227 -24.125 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -21.641 -5.550 -23.992 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -22.622 -5.378 -25.467 1.00 0.00 H new ATOM 966 N VAL A 61 -22.291 -9.818 -26.160 1.00 0.00 N ATOM 967 CA VAL A 61 -21.880 -11.195 -26.398 1.00 0.00 C ATOM 968 C VAL A 61 -20.466 -11.443 -25.881 1.00 0.00 C ATOM 969 O VAL A 61 -19.627 -10.542 -25.882 1.00 0.00 O ATOM 970 CB VAL A 61 -21.943 -11.552 -27.897 1.00 0.00 C ATOM 971 CG1 VAL A 61 -20.961 -10.706 -28.695 1.00 0.00 C ATOM 972 CG2 VAL A 61 -21.675 -13.034 -28.105 1.00 0.00 C ATOM 0 H VAL A 61 -21.561 -9.125 -26.327 1.00 0.00 H new ATOM 0 HA VAL A 61 -22.578 -11.832 -25.855 1.00 0.00 H new ATOM 0 HB VAL A 61 -22.948 -11.334 -28.259 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -21.023 -10.975 -29.750 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -21.208 -9.651 -28.574 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -19.949 -10.885 -28.333 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -21.724 -13.267 -29.169 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -20.684 -13.281 -27.724 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -22.425 -13.618 -27.571 1.00 0.00 H new ATOM 982 N ALA A 62 -20.210 -12.668 -25.432 1.00 0.00 N ATOM 983 CA ALA A 62 -18.899 -13.031 -24.906 1.00 0.00 C ATOM 984 C ALA A 62 -18.636 -14.528 -25.040 1.00 0.00 C ATOM 985 O ALA A 62 -19.559 -15.341 -25.012 1.00 0.00 O ATOM 986 CB ALA A 62 -18.773 -12.597 -23.454 1.00 0.00 C ATOM 0 H ALA A 62 -20.893 -13.426 -25.422 1.00 0.00 H new ATOM 0 HA ALA A 62 -18.147 -12.509 -25.498 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -17.789 -12.875 -23.075 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -18.896 -11.516 -23.385 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -19.543 -13.089 -22.859 1.00 0.00 H new ATOM 992 N SER A 63 -17.362 -14.873 -25.201 1.00 0.00 N ATOM 993 CA SER A 63 -16.960 -16.268 -25.355 1.00 0.00 C ATOM 994 C SER A 63 -15.621 -16.547 -24.676 1.00 0.00 C ATOM 995 O SER A 63 -14.824 -15.637 -24.450 1.00 0.00 O ATOM 996 CB SER A 63 -16.872 -16.630 -26.839 1.00 0.00 C ATOM 997 OG SER A 63 -18.012 -16.172 -27.544 1.00 0.00 O ATOM 0 H SER A 63 -16.590 -14.206 -25.228 1.00 0.00 H new ATOM 0 HA SER A 63 -17.718 -16.885 -24.872 1.00 0.00 H new ATOM 0 HB2 SER A 63 -15.973 -16.191 -27.271 1.00 0.00 H new ATOM 0 HB3 SER A 63 -16.783 -17.711 -26.948 1.00 0.00 H new ATOM 0 HG SER A 63 -18.688 -16.881 -27.569 1.00 0.00 H new ATOM 1003 N GLY A 64 -15.381 -17.820 -24.364 1.00 0.00 N ATOM 1004 CA GLY A 64 -14.140 -18.219 -23.726 1.00 0.00 C ATOM 1005 C GLY A 64 -13.751 -19.640 -24.096 1.00 0.00 C ATOM 1006 O GLY A 64 -14.358 -20.599 -23.621 1.00 0.00 O ATOM 0 H GLY A 64 -16.031 -18.586 -24.544 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -13.343 -17.535 -24.019 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -14.245 -18.140 -22.644 1.00 0.00 H new ATOM 1010 N LYS A 65 -12.751 -19.774 -24.962 1.00 0.00 N ATOM 1011 CA LYS A 65 -12.298 -21.087 -25.416 1.00 0.00 C ATOM 1012 C LYS A 65 -10.993 -21.508 -24.747 1.00 0.00 C ATOM 1013 O LYS A 65 -10.084 -22.017 -25.404 1.00 0.00 O ATOM 1014 CB LYS A 65 -12.119 -21.081 -26.936 1.00 0.00 C ATOM 1015 CG LYS A 65 -13.431 -21.079 -27.705 1.00 0.00 C ATOM 1016 CD LYS A 65 -13.561 -19.850 -28.594 1.00 0.00 C ATOM 1017 CE LYS A 65 -14.109 -20.210 -29.966 1.00 0.00 C ATOM 1018 NZ LYS A 65 -15.124 -19.225 -30.434 1.00 0.00 N ATOM 0 H LYS A 65 -12.238 -18.990 -25.364 1.00 0.00 H new ATOM 0 HA LYS A 65 -13.063 -21.811 -25.134 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -11.539 -20.203 -27.221 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -11.538 -21.956 -27.228 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -13.496 -21.979 -28.317 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -14.264 -21.110 -27.003 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.219 -19.123 -28.118 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -12.586 -19.374 -28.704 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -13.290 -20.256 -30.684 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -14.557 -21.203 -29.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -15.473 -19.506 -31.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.918 -19.199 -29.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.690 -18.282 -30.494 1.00 0.00 H new ATOM 1032 N HIS A 66 -10.908 -21.317 -23.436 1.00 0.00 N ATOM 1033 CA HIS A 66 -9.714 -21.707 -22.692 1.00 0.00 C ATOM 1034 C HIS A 66 -9.683 -23.218 -22.489 1.00 0.00 C ATOM 1035 O HIS A 66 -10.724 -23.876 -22.511 1.00 0.00 O ATOM 1036 CB HIS A 66 -9.653 -20.998 -21.339 1.00 0.00 C ATOM 1037 CG HIS A 66 -8.275 -20.965 -20.751 1.00 0.00 C ATOM 1038 ND1 HIS A 66 -7.917 -21.668 -19.620 1.00 0.00 N ATOM 1039 CD2 HIS A 66 -7.159 -20.309 -21.149 1.00 0.00 C ATOM 1040 CE1 HIS A 66 -6.644 -21.444 -19.347 1.00 0.00 C ATOM 1041 NE2 HIS A 66 -6.162 -20.624 -20.261 1.00 0.00 N ATOM 0 H HIS A 66 -11.645 -20.898 -22.869 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.844 -21.408 -23.276 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.016 -19.977 -21.455 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.326 -21.499 -20.643 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -7.070 -19.658 -22.007 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -6.092 -21.861 -18.517 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -5.203 -20.280 -20.301 1.00 0.00 H new ATOM 1050 N GLU A 67 -8.490 -23.767 -22.290 1.00 0.00 N ATOM 1051 CA GLU A 67 -8.332 -25.203 -22.081 1.00 0.00 C ATOM 1052 C GLU A 67 -9.094 -25.678 -20.847 1.00 0.00 C ATOM 1053 O GLU A 67 -9.500 -26.837 -20.768 1.00 0.00 O ATOM 1054 CB GLU A 67 -6.848 -25.547 -21.931 1.00 0.00 C ATOM 1055 CG GLU A 67 -6.199 -24.921 -20.708 1.00 0.00 C ATOM 1056 CD GLU A 67 -4.691 -24.821 -20.834 1.00 0.00 C ATOM 1057 OE1 GLU A 67 -4.217 -24.024 -21.670 1.00 0.00 O ATOM 1058 OE2 GLU A 67 -3.985 -25.542 -20.097 1.00 0.00 O ATOM 0 H GLU A 67 -7.617 -23.240 -22.269 1.00 0.00 H new ATOM 0 HA GLU A 67 -8.745 -25.713 -22.951 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.738 -26.630 -21.876 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.315 -25.218 -22.823 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.613 -23.925 -20.551 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.448 -25.512 -19.827 1.00 0.00 H new ATOM 1065 N ASP A 68 -9.269 -24.786 -19.878 1.00 0.00 N ATOM 1066 CA ASP A 68 -9.970 -25.131 -18.644 1.00 0.00 C ATOM 1067 C ASP A 68 -11.427 -24.680 -18.683 1.00 0.00 C ATOM 1068 O ASP A 68 -11.719 -23.491 -18.823 1.00 0.00 O ATOM 1069 CB ASP A 68 -9.263 -24.506 -17.440 1.00 0.00 C ATOM 1070 CG ASP A 68 -9.622 -25.195 -16.138 1.00 0.00 C ATOM 1071 OD1 ASP A 68 -10.827 -25.265 -15.816 1.00 0.00 O ATOM 1072 OD2 ASP A 68 -8.699 -25.665 -15.440 1.00 0.00 O ATOM 0 H ASP A 68 -8.937 -23.822 -19.921 1.00 0.00 H new ATOM 0 HA ASP A 68 -9.955 -26.217 -18.548 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -8.184 -24.556 -17.589 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -9.527 -23.451 -17.374 1.00 0.00 H new ATOM 1077 N MET A 69 -12.338 -25.642 -18.555 1.00 0.00 N ATOM 1078 CA MET A 69 -13.773 -25.364 -18.570 1.00 0.00 C ATOM 1079 C MET A 69 -14.131 -24.206 -17.642 1.00 0.00 C ATOM 1080 O MET A 69 -14.874 -23.301 -18.022 1.00 0.00 O ATOM 1081 CB MET A 69 -14.555 -26.614 -18.164 1.00 0.00 C ATOM 1082 CG MET A 69 -16.064 -26.442 -18.252 1.00 0.00 C ATOM 1083 SD MET A 69 -16.962 -27.859 -17.592 1.00 0.00 S ATOM 1084 CE MET A 69 -18.652 -27.278 -17.720 1.00 0.00 C ATOM 0 H MET A 69 -12.106 -26.628 -18.439 1.00 0.00 H new ATOM 0 HA MET A 69 -14.044 -25.078 -19.586 1.00 0.00 H new ATOM 0 HB2 MET A 69 -14.254 -27.444 -18.803 1.00 0.00 H new ATOM 0 HB3 MET A 69 -14.287 -26.884 -17.143 1.00 0.00 H new ATOM 0 HG2 MET A 69 -16.356 -25.545 -17.706 1.00 0.00 H new ATOM 0 HG3 MET A 69 -16.349 -26.289 -19.293 1.00 0.00 H new ATOM 0 HE1 MET A 69 -19.330 -28.046 -17.349 1.00 0.00 H new ATOM 0 HE2 MET A 69 -18.771 -26.372 -17.126 1.00 0.00 H new ATOM 0 HE3 MET A 69 -18.884 -27.062 -18.763 1.00 0.00 H new ATOM 1094 N TYR A 70 -13.607 -24.244 -16.421 1.00 0.00 N ATOM 1095 CA TYR A 70 -13.882 -23.200 -15.440 1.00 0.00 C ATOM 1096 C TYR A 70 -13.283 -21.868 -15.874 1.00 0.00 C ATOM 1097 O TYR A 70 -13.910 -20.819 -15.727 1.00 0.00 O ATOM 1098 CB TYR A 70 -13.331 -23.600 -14.070 1.00 0.00 C ATOM 1099 CG TYR A 70 -14.224 -24.560 -13.316 1.00 0.00 C ATOM 1100 CD1 TYR A 70 -14.096 -25.933 -13.482 1.00 0.00 C ATOM 1101 CD2 TYR A 70 -15.196 -24.092 -12.441 1.00 0.00 C ATOM 1102 CE1 TYR A 70 -14.911 -26.812 -12.795 1.00 0.00 C ATOM 1103 CE2 TYR A 70 -16.014 -24.965 -11.750 1.00 0.00 C ATOM 1104 CZ TYR A 70 -15.868 -26.324 -11.931 1.00 0.00 C ATOM 1105 OH TYR A 70 -16.682 -27.197 -11.245 1.00 0.00 O ATOM 0 H TYR A 70 -12.991 -24.985 -16.088 1.00 0.00 H new ATOM 0 HA TYR A 70 -14.963 -23.082 -15.369 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -12.350 -24.056 -14.201 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -13.187 -22.702 -13.469 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -13.348 -26.319 -14.158 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -15.314 -23.028 -12.298 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -14.799 -27.877 -12.934 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -16.764 -24.585 -11.072 1.00 0.00 H new ATOM 0 HH TYR A 70 -17.300 -26.691 -10.678 1.00 0.00 H new ATOM 1115 N THR A 71 -12.069 -21.913 -16.411 1.00 0.00 N ATOM 1116 CA THR A 71 -11.396 -20.704 -16.868 1.00 0.00 C ATOM 1117 C THR A 71 -12.145 -20.084 -18.042 1.00 0.00 C ATOM 1118 O THR A 71 -12.237 -18.863 -18.154 1.00 0.00 O ATOM 1119 CB THR A 71 -9.956 -21.014 -17.273 1.00 0.00 C ATOM 1120 OG1 THR A 71 -9.249 -21.605 -16.197 1.00 0.00 O ATOM 1121 CG2 THR A 71 -9.183 -19.791 -17.715 1.00 0.00 C ATOM 0 H THR A 71 -11.533 -22.771 -16.540 1.00 0.00 H new ATOM 0 HA THR A 71 -11.384 -19.990 -16.045 1.00 0.00 H new ATOM 0 HB THR A 71 -10.034 -21.699 -18.117 1.00 0.00 H new ATOM 0 HG1 THR A 71 -8.380 -21.928 -16.515 1.00 0.00 H new ATOM 0 HG21 THR A 71 -8.169 -20.081 -17.989 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.676 -19.340 -18.576 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.146 -19.069 -16.899 1.00 0.00 H new ATOM 1129 N ALA A 72 -12.684 -20.933 -18.911 1.00 0.00 N ATOM 1130 CA ALA A 72 -13.432 -20.462 -20.071 1.00 0.00 C ATOM 1131 C ALA A 72 -14.676 -19.696 -19.635 1.00 0.00 C ATOM 1132 O ALA A 72 -14.908 -18.573 -20.083 1.00 0.00 O ATOM 1133 CB ALA A 72 -13.807 -21.627 -20.976 1.00 0.00 C ATOM 0 H ALA A 72 -12.617 -21.948 -18.834 1.00 0.00 H new ATOM 0 HA ALA A 72 -12.794 -19.782 -20.636 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -14.364 -21.255 -21.836 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -12.901 -22.127 -21.319 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.424 -22.334 -20.422 1.00 0.00 H new ATOM 1139 N ILE A 73 -15.468 -20.294 -18.750 1.00 0.00 N ATOM 1140 CA ILE A 73 -16.673 -19.638 -18.258 1.00 0.00 C ATOM 1141 C ILE A 73 -16.306 -18.355 -17.522 1.00 0.00 C ATOM 1142 O ILE A 73 -16.956 -17.322 -17.693 1.00 0.00 O ATOM 1143 CB ILE A 73 -17.487 -20.561 -17.326 1.00 0.00 C ATOM 1144 CG1 ILE A 73 -18.008 -21.772 -18.100 1.00 0.00 C ATOM 1145 CG2 ILE A 73 -18.641 -19.800 -16.688 1.00 0.00 C ATOM 1146 CD1 ILE A 73 -17.952 -23.063 -17.311 1.00 0.00 C ATOM 0 H ILE A 73 -15.299 -21.222 -18.363 1.00 0.00 H new ATOM 0 HA ILE A 73 -17.295 -19.401 -19.121 1.00 0.00 H new ATOM 0 HB ILE A 73 -16.829 -20.913 -16.531 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -19.038 -21.584 -18.402 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -17.424 -21.888 -19.013 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -19.201 -20.469 -16.035 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -18.249 -18.967 -16.104 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -19.300 -19.418 -17.468 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -18.337 -23.880 -17.922 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -16.920 -23.274 -17.032 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -18.559 -22.966 -16.411 1.00 0.00 H new ATOM 1158 N ASN A 74 -15.252 -18.420 -16.719 1.00 0.00 N ATOM 1159 CA ASN A 74 -14.791 -17.252 -15.980 1.00 0.00 C ATOM 1160 C ASN A 74 -14.325 -16.175 -16.954 1.00 0.00 C ATOM 1161 O ASN A 74 -14.588 -14.988 -16.759 1.00 0.00 O ATOM 1162 CB ASN A 74 -13.654 -17.636 -15.030 1.00 0.00 C ATOM 1163 CG ASN A 74 -13.903 -17.163 -13.611 1.00 0.00 C ATOM 1164 OD1 ASN A 74 -14.578 -16.157 -13.389 1.00 0.00 O ATOM 1165 ND2 ASN A 74 -13.358 -17.888 -12.641 1.00 0.00 N ATOM 0 H ASN A 74 -14.702 -19.265 -16.563 1.00 0.00 H new ATOM 0 HA ASN A 74 -15.618 -16.861 -15.387 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -13.532 -18.719 -15.033 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -12.720 -17.209 -15.394 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -13.491 -17.618 -11.666 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -12.806 -18.714 -12.871 1.00 0.00 H new ATOM 1172 N GLU A 75 -13.646 -16.605 -18.014 1.00 0.00 N ATOM 1173 CA GLU A 75 -13.154 -15.690 -19.036 1.00 0.00 C ATOM 1174 C GLU A 75 -14.320 -15.061 -19.792 1.00 0.00 C ATOM 1175 O GLU A 75 -14.307 -13.862 -20.073 1.00 0.00 O ATOM 1176 CB GLU A 75 -12.218 -16.413 -20.006 1.00 0.00 C ATOM 1177 CG GLU A 75 -10.751 -16.318 -19.620 1.00 0.00 C ATOM 1178 CD GLU A 75 -9.823 -16.478 -20.808 1.00 0.00 C ATOM 1179 OE1 GLU A 75 -9.956 -17.486 -21.533 1.00 0.00 O ATOM 1180 OE2 GLU A 75 -8.964 -15.595 -21.014 1.00 0.00 O ATOM 0 H GLU A 75 -13.424 -17.585 -18.187 1.00 0.00 H new ATOM 0 HA GLU A 75 -12.590 -14.898 -18.543 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -12.504 -17.463 -20.059 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.350 -15.996 -21.004 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -10.566 -15.354 -19.146 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.524 -17.086 -18.880 1.00 0.00 H new ATOM 1187 N LEU A 76 -15.338 -15.858 -20.102 1.00 0.00 N ATOM 1188 CA LEU A 76 -16.509 -15.346 -20.801 1.00 0.00 C ATOM 1189 C LEU A 76 -17.064 -14.138 -20.050 1.00 0.00 C ATOM 1190 O LEU A 76 -17.085 -13.026 -20.577 1.00 0.00 O ATOM 1191 CB LEU A 76 -17.575 -16.440 -20.944 1.00 0.00 C ATOM 1192 CG LEU A 76 -18.999 -15.945 -21.230 1.00 0.00 C ATOM 1193 CD1 LEU A 76 -19.528 -16.550 -22.518 1.00 0.00 C ATOM 1194 CD2 LEU A 76 -19.924 -16.272 -20.066 1.00 0.00 C ATOM 0 H LEU A 76 -15.375 -16.853 -19.882 1.00 0.00 H new ATOM 0 HA LEU A 76 -16.218 -15.034 -21.804 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -17.275 -17.112 -21.748 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -17.591 -17.028 -20.027 1.00 0.00 H new ATOM 0 HG LEU A 76 -18.967 -14.862 -21.349 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -20.539 -16.186 -22.703 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -18.882 -16.262 -23.347 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -19.544 -17.636 -22.430 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -20.929 -15.913 -20.288 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -19.950 -17.351 -19.914 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -19.557 -15.786 -19.162 1.00 0.00 H new ATOM 1206 N ILE A 77 -17.484 -14.355 -18.808 1.00 0.00 N ATOM 1207 CA ILE A 77 -18.003 -13.266 -17.987 1.00 0.00 C ATOM 1208 C ILE A 77 -16.979 -12.136 -17.909 1.00 0.00 C ATOM 1209 O ILE A 77 -17.346 -10.965 -17.818 1.00 0.00 O ATOM 1210 CB ILE A 77 -18.374 -13.739 -16.568 1.00 0.00 C ATOM 1211 CG1 ILE A 77 -19.387 -14.884 -16.640 1.00 0.00 C ATOM 1212 CG2 ILE A 77 -18.932 -12.587 -15.744 1.00 0.00 C ATOM 1213 CD1 ILE A 77 -19.496 -15.677 -15.358 1.00 0.00 C ATOM 0 H ILE A 77 -17.476 -15.267 -18.350 1.00 0.00 H new ATOM 0 HA ILE A 77 -18.914 -12.903 -18.462 1.00 0.00 H new ATOM 0 HB ILE A 77 -17.470 -14.101 -16.078 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -20.367 -14.476 -16.890 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -19.106 -15.556 -17.451 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -19.187 -12.944 -14.746 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -18.183 -11.799 -15.667 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -19.826 -12.193 -16.228 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -20.232 -16.471 -15.483 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -18.527 -16.115 -15.117 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -19.808 -15.018 -14.548 1.00 0.00 H new ATOM 1225 N ASN A 78 -15.698 -12.483 -17.987 1.00 0.00 N ATOM 1226 CA ASN A 78 -14.645 -11.481 -17.965 1.00 0.00 C ATOM 1227 C ASN A 78 -14.865 -10.501 -19.114 1.00 0.00 C ATOM 1228 O ASN A 78 -14.677 -9.292 -18.975 1.00 0.00 O ATOM 1229 CB ASN A 78 -13.269 -12.154 -18.067 1.00 0.00 C ATOM 1230 CG ASN A 78 -12.436 -11.669 -19.243 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -12.139 -10.481 -19.360 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -12.054 -12.593 -20.119 1.00 0.00 N ATOM 0 H ASN A 78 -15.368 -13.445 -18.065 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.676 -10.933 -17.023 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.717 -11.974 -17.144 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.407 -13.232 -18.151 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -11.492 -12.328 -20.928 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -12.323 -13.567 -19.983 1.00 0.00 H new ATOM 1239 N LYS A 79 -15.296 -11.055 -20.241 1.00 0.00 N ATOM 1240 CA LYS A 79 -15.590 -10.272 -21.435 1.00 0.00 C ATOM 1241 C LYS A 79 -16.931 -9.572 -21.276 1.00 0.00 C ATOM 1242 O LYS A 79 -17.119 -8.468 -21.784 1.00 0.00 O ATOM 1243 CB LYS A 79 -15.597 -11.157 -22.685 1.00 0.00 C ATOM 1244 CG LYS A 79 -14.211 -11.465 -23.228 1.00 0.00 C ATOM 1245 CD LYS A 79 -13.881 -12.945 -23.119 1.00 0.00 C ATOM 1246 CE LYS A 79 -12.380 -13.182 -23.078 1.00 0.00 C ATOM 1247 NZ LYS A 79 -11.861 -13.684 -24.380 1.00 0.00 N ATOM 0 H LYS A 79 -15.451 -12.057 -20.353 1.00 0.00 H new ATOM 0 HA LYS A 79 -14.807 -9.523 -21.558 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -16.102 -12.094 -22.452 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -16.181 -10.665 -23.463 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -14.152 -11.155 -24.271 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.468 -10.885 -22.680 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.339 -13.355 -22.219 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.311 -13.478 -23.967 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -11.873 -12.253 -22.819 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -12.147 -13.901 -22.293 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -10.834 -13.833 -24.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -12.326 -14.584 -24.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.060 -12.986 -25.125 1.00 0.00 H new ATOM 1261 N LEU A 80 -17.849 -10.185 -20.537 1.00 0.00 N ATOM 1262 CA LEU A 80 -19.139 -9.558 -20.293 1.00 0.00 C ATOM 1263 C LEU A 80 -18.901 -8.295 -19.478 1.00 0.00 C ATOM 1264 O LEU A 80 -19.365 -7.209 -19.828 1.00 0.00 O ATOM 1265 CB LEU A 80 -20.082 -10.509 -19.553 1.00 0.00 C ATOM 1266 CG LEU A 80 -20.644 -11.654 -20.399 1.00 0.00 C ATOM 1267 CD1 LEU A 80 -21.456 -12.606 -19.536 1.00 0.00 C ATOM 1268 CD2 LEU A 80 -21.491 -11.107 -21.538 1.00 0.00 C ATOM 0 H LEU A 80 -17.726 -11.100 -20.104 1.00 0.00 H new ATOM 0 HA LEU A 80 -19.615 -9.310 -21.242 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -19.550 -10.934 -18.702 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -20.915 -9.931 -19.152 1.00 0.00 H new ATOM 0 HG LEU A 80 -19.809 -12.209 -20.828 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -21.848 -13.414 -20.155 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -20.819 -13.023 -18.756 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -22.284 -12.065 -19.078 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -21.883 -11.934 -22.130 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -22.320 -10.528 -21.130 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -20.878 -10.466 -22.172 1.00 0.00 H new ATOM 1280 N GLU A 81 -18.127 -8.452 -18.410 1.00 0.00 N ATOM 1281 CA GLU A 81 -17.754 -7.346 -17.548 1.00 0.00 C ATOM 1282 C GLU A 81 -16.999 -6.290 -18.346 1.00 0.00 C ATOM 1283 O GLU A 81 -17.307 -5.101 -18.277 1.00 0.00 O ATOM 1284 CB GLU A 81 -16.878 -7.868 -16.418 1.00 0.00 C ATOM 1285 CG GLU A 81 -17.051 -7.113 -15.113 1.00 0.00 C ATOM 1286 CD GLU A 81 -15.934 -7.388 -14.125 1.00 0.00 C ATOM 1287 OE1 GLU A 81 -14.860 -6.765 -14.255 1.00 0.00 O ATOM 1288 OE2 GLU A 81 -16.134 -8.229 -13.223 1.00 0.00 O ATOM 0 H GLU A 81 -17.742 -9.351 -18.121 1.00 0.00 H new ATOM 0 HA GLU A 81 -18.653 -6.891 -17.133 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -17.105 -8.921 -16.251 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -15.833 -7.812 -16.724 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -17.093 -6.044 -15.320 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -18.005 -7.388 -14.663 1.00 0.00 H new ATOM 1295 N ARG A 82 -16.009 -6.742 -19.108 1.00 0.00 N ATOM 1296 CA ARG A 82 -15.202 -5.844 -19.927 1.00 0.00 C ATOM 1297 C ARG A 82 -16.052 -5.178 -21.008 1.00 0.00 C ATOM 1298 O ARG A 82 -15.731 -4.087 -21.478 1.00 0.00 O ATOM 1299 CB ARG A 82 -14.046 -6.610 -20.572 1.00 0.00 C ATOM 1300 CG ARG A 82 -12.782 -6.626 -19.728 1.00 0.00 C ATOM 1301 CD ARG A 82 -11.677 -7.431 -20.394 1.00 0.00 C ATOM 1302 NE ARG A 82 -10.388 -7.242 -19.736 1.00 0.00 N ATOM 1303 CZ ARG A 82 -9.610 -6.177 -19.923 1.00 0.00 C ATOM 1304 NH1 ARG A 82 -9.986 -5.208 -20.747 1.00 0.00 N ATOM 1305 NH2 ARG A 82 -8.452 -6.083 -19.282 1.00 0.00 N ATOM 0 H ARG A 82 -15.746 -7.725 -19.176 1.00 0.00 H new ATOM 0 HA ARG A 82 -14.798 -5.067 -19.278 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -14.361 -7.637 -20.760 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -13.821 -6.164 -21.541 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.440 -5.604 -19.563 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.003 -7.050 -18.748 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.940 -8.489 -20.379 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -11.596 -7.138 -21.441 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.064 -7.967 -19.096 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.875 -5.276 -21.242 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -9.386 -4.395 -20.886 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -8.159 -6.826 -18.647 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -7.855 -5.268 -19.424 1.00 0.00 H new ATOM 1319 N GLN A 83 -17.141 -5.839 -21.391 1.00 0.00 N ATOM 1320 CA GLN A 83 -18.038 -5.309 -22.411 1.00 0.00 C ATOM 1321 C GLN A 83 -18.875 -4.171 -21.841 1.00 0.00 C ATOM 1322 O GLN A 83 -18.977 -3.100 -22.439 1.00 0.00 O ATOM 1323 CB GLN A 83 -18.957 -6.415 -22.937 1.00 0.00 C ATOM 1324 CG GLN A 83 -18.429 -7.110 -24.181 1.00 0.00 C ATOM 1325 CD GLN A 83 -19.463 -8.017 -24.821 1.00 0.00 C ATOM 1326 OE1 GLN A 83 -19.600 -8.057 -26.045 1.00 0.00 O ATOM 1327 NE2 GLN A 83 -20.199 -8.749 -23.995 1.00 0.00 N ATOM 0 H GLN A 83 -17.423 -6.742 -21.010 1.00 0.00 H new ATOM 0 HA GLN A 83 -17.435 -4.927 -23.235 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -19.104 -7.157 -22.152 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -19.935 -5.988 -23.158 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -18.110 -6.360 -24.905 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -17.548 -7.696 -23.920 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -20.052 -8.685 -22.988 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -20.912 -9.376 -24.367 1.00 0.00 H new ATOM 1336 N LEU A 84 -19.466 -4.411 -20.676 1.00 0.00 N ATOM 1337 CA LEU A 84 -20.288 -3.407 -20.017 1.00 0.00 C ATOM 1338 C LEU A 84 -19.442 -2.202 -19.618 1.00 0.00 C ATOM 1339 O LEU A 84 -19.935 -1.076 -19.557 1.00 0.00 O ATOM 1340 CB LEU A 84 -20.958 -4.005 -18.779 1.00 0.00 C ATOM 1341 CG LEU A 84 -21.997 -5.094 -19.066 1.00 0.00 C ATOM 1342 CD1 LEU A 84 -21.625 -6.391 -18.362 1.00 0.00 C ATOM 1343 CD2 LEU A 84 -23.385 -4.636 -18.641 1.00 0.00 C ATOM 0 H LEU A 84 -19.390 -5.293 -20.169 1.00 0.00 H new ATOM 0 HA LEU A 84 -21.058 -3.078 -20.715 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -20.186 -4.422 -18.133 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -21.440 -3.202 -18.222 1.00 0.00 H new ATOM 0 HG LEU A 84 -22.009 -5.278 -20.140 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -22.376 -7.151 -18.579 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -20.652 -6.731 -18.716 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -21.581 -6.221 -17.286 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -24.109 -5.423 -18.853 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -23.386 -4.421 -17.572 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -23.656 -3.736 -19.193 1.00 0.00 H new ATOM 1355 N ASN A 85 -18.160 -2.450 -19.352 1.00 0.00 N ATOM 1356 CA ASN A 85 -17.240 -1.388 -18.965 1.00 0.00 C ATOM 1357 C ASN A 85 -17.130 -0.363 -20.086 1.00 0.00 C ATOM 1358 O ASN A 85 -16.967 0.832 -19.842 1.00 0.00 O ATOM 1359 CB ASN A 85 -15.860 -1.967 -18.648 1.00 0.00 C ATOM 1360 CG ASN A 85 -14.920 -0.931 -18.064 1.00 0.00 C ATOM 1361 OD1 ASN A 85 -14.677 0.114 -18.668 1.00 0.00 O ATOM 1362 ND2 ASN A 85 -14.383 -1.218 -16.883 1.00 0.00 N ATOM 0 H ASN A 85 -17.738 -3.377 -19.398 1.00 0.00 H new ATOM 0 HA ASN A 85 -17.626 -0.899 -18.071 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -15.968 -2.793 -17.945 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -15.423 -2.378 -19.558 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -13.741 -0.560 -16.441 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -14.613 -2.096 -16.418 1.00 0.00 H new ATOM 1369 N LYS A 86 -17.235 -0.850 -21.318 1.00 0.00 N ATOM 1370 CA LYS A 86 -17.163 0.005 -22.494 1.00 0.00 C ATOM 1371 C LYS A 86 -18.437 0.829 -22.629 1.00 0.00 C ATOM 1372 O LYS A 86 -18.437 1.915 -23.207 1.00 0.00 O ATOM 1373 CB LYS A 86 -16.944 -0.855 -23.743 1.00 0.00 C ATOM 1374 CG LYS A 86 -18.224 -1.306 -24.434 1.00 0.00 C ATOM 1375 CD LYS A 86 -18.569 -0.407 -25.611 1.00 0.00 C ATOM 1376 CE LYS A 86 -19.252 -1.185 -26.725 1.00 0.00 C ATOM 1377 NZ LYS A 86 -18.284 -1.637 -27.762 1.00 0.00 N ATOM 0 H LYS A 86 -17.371 -1.839 -21.527 1.00 0.00 H new ATOM 0 HA LYS A 86 -16.323 0.692 -22.386 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.341 -0.291 -24.455 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -16.367 -1.737 -23.464 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.109 -2.333 -24.781 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.046 -1.301 -23.718 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.222 0.399 -25.276 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.660 0.057 -25.994 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -19.762 -2.051 -26.303 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -20.015 -0.560 -27.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -18.790 -2.163 -28.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -17.815 -0.810 -28.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -17.570 -2.254 -27.325 1.00 0.00 H new