USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 882 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 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 34 SER OG : rot 180:sc= 0 USER MOD Set 1.3: A 36 HIS : no HE2:sc= -4.86! C(o=-4.9!,f=-4.2!) USER MOD Set 2.1: A 15 ASN : amide:sc= 0.146 X(o=0.29,f=0.094) USER MOD Set 2.2: A 17 ASN : amide:sc= 0.139 X(o=0.29,f=0.094) USER MOD Single : A 1 MET CE :methyl -121:sc= -0.338 (180deg=-1.12) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0926 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.289 K(o=-0.29,f=-2.2!) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.0987 (180deg=-0.358) USER MOD Single : A 48 LYS NZ :NH3+ 156:sc=-0.00813 (180deg=-0.366) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS : no HD1:sc= -1.01 K(o=-1,f=-2!) USER MOD Single : A 59 CYS SG : rot -30:sc= -1.92! USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc=-0.00523 X(o=-0.0052,f=-0.29) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.834 K(o=-0.83,f=-4.7!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.258 USER MOD Single : A 76 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 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.259 -13.225 -44.831 1.00 0.00 N ATOM 2 CA MET A 1 -4.664 -12.191 -45.725 1.00 0.00 C ATOM 3 C MET A 1 -3.815 -12.875 -46.799 1.00 0.00 C ATOM 4 O MET A 1 -2.672 -13.221 -46.575 1.00 0.00 O ATOM 5 CB MET A 1 -3.782 -11.251 -44.901 1.00 0.00 C ATOM 6 CG MET A 1 -3.420 -10.024 -45.741 1.00 0.00 C ATOM 7 SD MET A 1 -4.764 -8.815 -45.654 1.00 0.00 S ATOM 8 CE MET A 1 -5.409 -9.074 -47.324 1.00 0.00 C ATOM 0 H1 MET A 1 -5.836 -12.762 -44.100 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.858 -13.865 -45.391 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.499 -13.770 -44.377 1.00 0.00 H new ATOM 0 HA MET A 1 -5.461 -11.619 -46.200 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.306 -10.944 -43.996 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.876 -11.769 -44.585 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.494 -9.581 -45.376 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.247 -10.317 -46.776 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.370 -8.137 -47.879 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.805 -9.824 -47.835 1.00 0.00 H new ATOM 0 HE3 MET A 1 -6.442 -9.418 -47.266 1.00 0.00 H new ATOM 20 N THR A 2 -4.366 -13.072 -47.966 1.00 0.00 N ATOM 21 CA THR A 2 -3.594 -13.731 -49.057 1.00 0.00 C ATOM 22 C THR A 2 -4.291 -13.469 -50.393 1.00 0.00 C ATOM 23 O THR A 2 -4.811 -14.369 -51.022 1.00 0.00 O ATOM 24 CB THR A 2 -3.530 -15.239 -48.800 1.00 0.00 C ATOM 25 OG1 THR A 2 -4.429 -15.578 -47.753 1.00 0.00 O ATOM 26 CG2 THR A 2 -2.107 -15.630 -48.400 1.00 0.00 C ATOM 0 H THR A 2 -5.319 -12.804 -48.211 1.00 0.00 H new ATOM 0 HA THR A 2 -2.582 -13.328 -49.086 1.00 0.00 H new ATOM 0 HB THR A 2 -3.810 -15.775 -49.707 1.00 0.00 H new ATOM 0 HG1 THR A 2 -4.390 -16.543 -47.588 1.00 0.00 H new ATOM 0 HG21 THR A 2 -2.062 -16.704 -48.217 1.00 0.00 H new ATOM 0 HG22 THR A 2 -1.419 -15.370 -49.204 1.00 0.00 H new ATOM 0 HG23 THR A 2 -1.824 -15.096 -47.493 1.00 0.00 H new ATOM 34 N VAL A 3 -4.311 -12.239 -50.828 1.00 0.00 N ATOM 35 CA VAL A 3 -4.980 -11.912 -52.118 1.00 0.00 C ATOM 36 C VAL A 3 -4.110 -12.376 -53.287 1.00 0.00 C ATOM 37 O VAL A 3 -3.020 -11.881 -53.495 1.00 0.00 O ATOM 38 CB VAL A 3 -5.191 -10.399 -52.208 1.00 0.00 C ATOM 39 CG1 VAL A 3 -3.840 -9.687 -52.134 1.00 0.00 C ATOM 40 CG2 VAL A 3 -5.872 -10.057 -53.536 1.00 0.00 C ATOM 0 H VAL A 3 -3.892 -11.445 -50.344 1.00 0.00 H new ATOM 0 HA VAL A 3 -5.943 -12.421 -52.165 1.00 0.00 H new ATOM 0 HB VAL A 3 -5.820 -10.072 -51.380 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -3.993 -8.610 -52.198 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -3.353 -9.929 -51.190 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -3.210 -10.014 -52.961 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -6.023 -8.979 -53.601 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -5.243 -10.386 -54.363 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.836 -10.562 -53.591 1.00 0.00 H new ATOM 50 N ILE A 4 -4.591 -13.317 -54.055 1.00 0.00 N ATOM 51 CA ILE A 4 -3.808 -13.818 -55.223 1.00 0.00 C ATOM 52 C ILE A 4 -2.328 -13.932 -54.855 1.00 0.00 C ATOM 53 O ILE A 4 -1.511 -13.137 -55.276 1.00 0.00 O ATOM 54 CB ILE A 4 -3.967 -12.852 -56.400 1.00 0.00 C ATOM 55 CG1 ILE A 4 -3.004 -13.253 -57.519 1.00 0.00 C ATOM 56 CG2 ILE A 4 -3.649 -11.425 -55.946 1.00 0.00 C ATOM 57 CD1 ILE A 4 -3.612 -12.890 -58.875 1.00 0.00 C ATOM 0 H ILE A 4 -5.499 -13.763 -53.923 1.00 0.00 H new ATOM 0 HA ILE A 4 -4.182 -14.802 -55.504 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.993 -12.895 -56.764 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -2.049 -12.744 -57.390 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -2.804 -14.324 -57.474 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -3.764 -10.741 -56.787 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -4.333 -11.136 -55.148 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -2.624 -11.380 -55.579 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.924 -13.177 -59.671 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -4.556 -13.419 -59.004 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -3.789 -11.815 -58.918 1.00 0.00 H new ATOM 69 N LYS A 5 -1.973 -14.918 -54.078 1.00 0.00 N ATOM 70 CA LYS A 5 -0.544 -15.082 -53.692 1.00 0.00 C ATOM 71 C LYS A 5 -0.275 -16.548 -53.343 1.00 0.00 C ATOM 72 O LYS A 5 -0.072 -16.883 -52.194 1.00 0.00 O ATOM 73 CB LYS A 5 -0.238 -14.202 -52.477 1.00 0.00 C ATOM 74 CG LYS A 5 0.948 -13.291 -52.795 1.00 0.00 C ATOM 75 CD LYS A 5 1.335 -12.497 -51.546 1.00 0.00 C ATOM 76 CE LYS A 5 0.296 -11.401 -51.296 1.00 0.00 C ATOM 77 NZ LYS A 5 0.877 -10.075 -51.649 1.00 0.00 N ATOM 0 H LYS A 5 -2.610 -15.616 -53.694 1.00 0.00 H new ATOM 0 HA LYS A 5 0.094 -14.784 -54.524 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -1.111 -13.603 -52.219 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -0.011 -14.824 -51.611 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.795 -13.886 -53.137 1.00 0.00 H new ATOM 0 HG3 LYS A 5 0.689 -12.610 -53.606 1.00 0.00 H new ATOM 0 HD2 LYS A 5 1.394 -13.161 -50.684 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.323 -12.054 -51.675 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.597 -11.589 -51.892 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -0.011 -11.408 -50.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.171 -9.330 -51.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.717 -9.896 -51.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 1.149 -10.071 -52.653 1.00 0.00 H new ATOM 91 N PRO A 6 -0.286 -17.378 -54.355 1.00 0.00 N ATOM 92 CA PRO A 6 -0.049 -18.824 -54.199 1.00 0.00 C ATOM 93 C PRO A 6 1.448 -19.107 -54.034 1.00 0.00 C ATOM 94 O PRO A 6 2.098 -19.609 -54.929 1.00 0.00 O ATOM 95 CB PRO A 6 -0.573 -19.417 -55.509 1.00 0.00 C ATOM 96 CG PRO A 6 -0.551 -18.269 -56.547 1.00 0.00 C ATOM 97 CD PRO A 6 -0.537 -16.954 -55.748 1.00 0.00 C ATOM 0 HA PRO A 6 -0.537 -19.245 -53.320 1.00 0.00 H new ATOM 0 HB2 PRO A 6 0.051 -20.249 -55.836 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -1.583 -19.807 -55.382 1.00 0.00 H new ATOM 0 HG2 PRO A 6 0.328 -18.343 -57.187 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -1.424 -18.318 -57.197 1.00 0.00 H new ATOM 0 HD2 PRO A 6 0.241 -16.279 -56.105 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -1.485 -16.423 -55.838 1.00 0.00 H new ATOM 105 N SER A 7 1.998 -18.790 -52.894 1.00 0.00 N ATOM 106 CA SER A 7 3.450 -19.042 -52.671 1.00 0.00 C ATOM 107 C SER A 7 3.786 -18.789 -51.200 1.00 0.00 C ATOM 108 O SER A 7 4.462 -19.573 -50.564 1.00 0.00 O ATOM 109 CB SER A 7 4.273 -18.102 -53.553 1.00 0.00 C ATOM 110 OG SER A 7 5.473 -18.755 -53.945 1.00 0.00 O ATOM 0 H SER A 7 1.505 -18.367 -52.107 1.00 0.00 H new ATOM 0 HA SER A 7 3.686 -20.075 -52.927 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.698 -17.814 -54.433 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.505 -17.186 -53.010 1.00 0.00 H new ATOM 0 HG SER A 7 6.002 -18.155 -54.512 1.00 0.00 H new ATOM 116 N SER A 8 3.313 -17.703 -50.653 1.00 0.00 N ATOM 117 CA SER A 8 3.600 -17.403 -49.223 1.00 0.00 C ATOM 118 C SER A 8 5.105 -17.503 -48.966 1.00 0.00 C ATOM 119 O SER A 8 5.609 -18.534 -48.567 1.00 0.00 O ATOM 120 CB SER A 8 2.863 -18.406 -48.335 1.00 0.00 C ATOM 121 OG SER A 8 1.477 -18.382 -48.649 1.00 0.00 O ATOM 0 H SER A 8 2.740 -17.011 -51.135 1.00 0.00 H new ATOM 0 HA SER A 8 3.262 -16.393 -48.991 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.265 -19.408 -48.487 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.014 -18.158 -47.284 1.00 0.00 H new ATOM 0 HG SER A 8 1.002 -19.025 -48.082 1.00 0.00 H new ATOM 127 N ARG A 9 5.826 -16.440 -49.189 1.00 0.00 N ATOM 128 CA ARG A 9 7.296 -16.475 -48.955 1.00 0.00 C ATOM 129 C ARG A 9 7.568 -16.912 -47.512 1.00 0.00 C ATOM 130 O ARG A 9 6.732 -16.739 -46.646 1.00 0.00 O ATOM 131 CB ARG A 9 7.883 -15.081 -49.186 1.00 0.00 C ATOM 132 CG ARG A 9 8.234 -14.912 -50.666 1.00 0.00 C ATOM 133 CD ARG A 9 8.844 -13.527 -50.893 1.00 0.00 C ATOM 134 NE ARG A 9 8.181 -12.879 -52.060 1.00 0.00 N ATOM 135 CZ ARG A 9 8.172 -11.579 -52.166 1.00 0.00 C ATOM 136 NH1 ARG A 9 7.324 -10.873 -51.470 1.00 0.00 N ATOM 137 NH2 ARG A 9 9.012 -10.984 -52.969 1.00 0.00 N ATOM 0 H ARG A 9 5.461 -15.548 -49.523 1.00 0.00 H new ATOM 0 HA ARG A 9 7.759 -17.181 -49.644 1.00 0.00 H new ATOM 0 HB2 ARG A 9 7.166 -14.318 -48.882 1.00 0.00 H new ATOM 0 HB3 ARG A 9 8.773 -14.944 -48.572 1.00 0.00 H new ATOM 0 HG2 ARG A 9 8.938 -15.685 -50.974 1.00 0.00 H new ATOM 0 HG3 ARG A 9 7.340 -15.032 -51.278 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.719 -12.912 -50.002 1.00 0.00 H new ATOM 0 HD3 ARG A 9 9.916 -13.614 -51.072 1.00 0.00 H new ATOM 0 HE ARG A 9 7.734 -13.452 -52.776 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.668 -11.338 -50.843 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.317 -9.856 -51.553 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.675 -11.536 -53.513 1.00 0.00 H new ATOM 0 HH22 ARG A 9 9.005 -9.967 -53.052 1.00 0.00 H new ATOM 151 N PRO A 10 8.734 -17.465 -47.295 1.00 0.00 N ATOM 152 CA PRO A 10 9.152 -17.939 -45.965 1.00 0.00 C ATOM 153 C PRO A 10 9.580 -16.756 -45.090 1.00 0.00 C ATOM 154 O PRO A 10 9.738 -15.648 -45.563 1.00 0.00 O ATOM 155 CB PRO A 10 10.340 -18.855 -46.266 1.00 0.00 C ATOM 156 CG PRO A 10 10.886 -18.421 -47.647 1.00 0.00 C ATOM 157 CD PRO A 10 9.742 -17.670 -48.356 1.00 0.00 C ATOM 0 HA PRO A 10 8.357 -18.449 -45.420 1.00 0.00 H new ATOM 0 HB2 PRO A 10 11.108 -18.761 -45.498 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.031 -19.900 -46.281 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.760 -17.779 -47.534 1.00 0.00 H new ATOM 0 HG3 PRO A 10 11.200 -19.287 -48.229 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.084 -16.721 -48.770 1.00 0.00 H new ATOM 0 HD3 PRO A 10 9.337 -18.251 -49.184 1.00 0.00 H new ATOM 165 N ARG A 11 9.767 -16.982 -43.819 1.00 0.00 N ATOM 166 CA ARG A 11 10.183 -15.867 -42.921 1.00 0.00 C ATOM 167 C ARG A 11 11.306 -16.345 -41.996 1.00 0.00 C ATOM 168 O ARG A 11 11.075 -16.620 -40.835 1.00 0.00 O ATOM 169 CB ARG A 11 8.986 -15.416 -42.081 1.00 0.00 C ATOM 170 CG ARG A 11 9.400 -14.243 -41.190 1.00 0.00 C ATOM 171 CD ARG A 11 9.486 -12.968 -42.031 1.00 0.00 C ATOM 172 NE ARG A 11 8.952 -11.818 -41.247 1.00 0.00 N ATOM 173 CZ ARG A 11 8.066 -11.022 -41.779 1.00 0.00 C ATOM 174 NH1 ARG A 11 6.972 -11.514 -42.295 1.00 0.00 N ATOM 175 NH2 ARG A 11 8.272 -9.733 -41.796 1.00 0.00 N ATOM 0 H ARG A 11 9.650 -17.887 -43.364 1.00 0.00 H new ATOM 0 HA ARG A 11 10.541 -15.031 -43.522 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.163 -15.120 -42.731 1.00 0.00 H new ATOM 0 HB3 ARG A 11 8.626 -16.243 -41.468 1.00 0.00 H new ATOM 0 HG2 ARG A 11 8.677 -14.112 -40.385 1.00 0.00 H new ATOM 0 HG3 ARG A 11 10.363 -14.449 -40.724 1.00 0.00 H new ATOM 0 HD2 ARG A 11 10.520 -12.778 -42.317 1.00 0.00 H new ATOM 0 HD3 ARG A 11 8.917 -13.089 -42.953 1.00 0.00 H new ATOM 0 HE ARG A 11 9.279 -11.654 -40.295 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.810 -12.521 -42.282 1.00 0.00 H new ATOM 0 HH12 ARG A 11 6.279 -10.891 -42.711 1.00 0.00 H new ATOM 0 HH21 ARG A 11 9.126 -9.348 -41.393 1.00 0.00 H new ATOM 0 HH22 ARG A 11 7.579 -9.111 -42.212 1.00 0.00 H new ATOM 189 N PRO A 12 12.494 -16.424 -42.541 1.00 0.00 N ATOM 190 CA PRO A 12 13.683 -16.860 -41.792 1.00 0.00 C ATOM 191 C PRO A 12 14.197 -15.723 -40.904 1.00 0.00 C ATOM 192 O PRO A 12 14.831 -14.797 -41.371 1.00 0.00 O ATOM 193 CB PRO A 12 14.695 -17.199 -42.889 1.00 0.00 C ATOM 194 CG PRO A 12 14.251 -16.418 -44.148 1.00 0.00 C ATOM 195 CD PRO A 12 12.759 -16.086 -43.955 1.00 0.00 C ATOM 0 HA PRO A 12 13.489 -17.701 -41.127 1.00 0.00 H new ATOM 0 HB2 PRO A 12 15.703 -16.913 -42.590 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.713 -18.271 -43.083 1.00 0.00 H new ATOM 0 HG2 PRO A 12 14.839 -15.508 -44.267 1.00 0.00 H new ATOM 0 HG3 PRO A 12 14.402 -17.015 -45.048 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.555 -15.035 -44.158 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.131 -16.669 -44.629 1.00 0.00 H new ATOM 203 N ARG A 13 13.925 -15.784 -39.630 1.00 0.00 N ATOM 204 CA ARG A 13 14.392 -14.704 -38.716 1.00 0.00 C ATOM 205 C ARG A 13 15.915 -14.764 -38.583 1.00 0.00 C ATOM 206 O ARG A 13 16.467 -15.697 -38.032 1.00 0.00 O ATOM 207 CB ARG A 13 13.751 -14.886 -37.339 1.00 0.00 C ATOM 208 CG ARG A 13 13.229 -13.538 -36.840 1.00 0.00 C ATOM 209 CD ARG A 13 12.524 -13.727 -35.497 1.00 0.00 C ATOM 210 NE ARG A 13 12.628 -12.471 -34.701 1.00 0.00 N ATOM 211 CZ ARG A 13 12.155 -12.427 -33.486 1.00 0.00 C ATOM 212 NH1 ARG A 13 12.573 -13.282 -32.593 1.00 0.00 N ATOM 213 NH2 ARG A 13 11.268 -11.528 -33.163 1.00 0.00 N ATOM 0 H ARG A 13 13.400 -16.535 -39.182 1.00 0.00 H new ATOM 0 HA ARG A 13 14.104 -13.736 -39.126 1.00 0.00 H new ATOM 0 HB2 ARG A 13 12.934 -15.605 -37.398 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.481 -15.289 -36.636 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.054 -12.834 -36.733 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.539 -13.112 -37.568 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.477 -13.983 -35.657 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.975 -14.555 -34.950 1.00 0.00 H new ATOM 0 HE ARG A 13 13.069 -11.646 -35.106 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.269 -13.984 -32.845 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.204 -13.248 -31.643 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.943 -10.858 -33.860 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.899 -11.494 -32.213 1.00 0.00 H new ATOM 227 N LYS A 14 16.599 -13.771 -39.082 1.00 0.00 N ATOM 228 CA LYS A 14 18.085 -13.762 -38.985 1.00 0.00 C ATOM 229 C LYS A 14 18.528 -12.568 -38.136 1.00 0.00 C ATOM 230 O LYS A 14 19.100 -11.618 -38.634 1.00 0.00 O ATOM 231 CB LYS A 14 18.687 -13.641 -40.387 1.00 0.00 C ATOM 232 CG LYS A 14 18.427 -14.929 -41.169 1.00 0.00 C ATOM 233 CD LYS A 14 19.758 -15.508 -41.655 1.00 0.00 C ATOM 234 CE LYS A 14 19.942 -15.188 -43.140 1.00 0.00 C ATOM 235 NZ LYS A 14 20.451 -16.396 -43.848 1.00 0.00 N ATOM 0 H LYS A 14 16.191 -12.964 -39.554 1.00 0.00 H new ATOM 0 HA LYS A 14 18.427 -14.688 -38.522 1.00 0.00 H new ATOM 0 HB2 LYS A 14 18.249 -12.791 -40.910 1.00 0.00 H new ATOM 0 HB3 LYS A 14 19.759 -13.455 -40.319 1.00 0.00 H new ATOM 0 HG2 LYS A 14 17.912 -15.653 -40.537 1.00 0.00 H new ATOM 0 HG3 LYS A 14 17.775 -14.726 -42.018 1.00 0.00 H new ATOM 0 HD2 LYS A 14 20.582 -15.089 -41.077 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.776 -16.587 -41.500 1.00 0.00 H new ATOM 0 HE2 LYS A 14 18.994 -14.871 -43.575 1.00 0.00 H new ATOM 0 HE3 LYS A 14 20.641 -14.361 -43.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 20.576 -16.180 -44.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 21.364 -16.679 -43.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 19.768 -17.173 -43.743 1.00 0.00 H new ATOM 249 N ASN A 15 18.267 -12.607 -36.859 1.00 0.00 N ATOM 250 CA ASN A 15 18.672 -11.472 -35.983 1.00 0.00 C ATOM 251 C ASN A 15 19.211 -12.014 -34.659 1.00 0.00 C ATOM 252 O ASN A 15 19.031 -13.171 -34.332 1.00 0.00 O ATOM 253 CB ASN A 15 17.458 -10.580 -35.713 1.00 0.00 C ATOM 254 CG ASN A 15 17.831 -9.120 -35.971 1.00 0.00 C ATOM 255 OD1 ASN A 15 18.140 -8.747 -37.086 1.00 0.00 O ATOM 256 ND2 ASN A 15 17.815 -8.270 -34.981 1.00 0.00 N ATOM 0 H ASN A 15 17.791 -13.375 -36.384 1.00 0.00 H new ATOM 0 HA ASN A 15 19.449 -10.890 -36.479 1.00 0.00 H new ATOM 0 HB2 ASN A 15 16.628 -10.873 -36.355 1.00 0.00 H new ATOM 0 HB3 ASN A 15 17.124 -10.705 -34.683 1.00 0.00 H new ATOM 0 HD21 ASN A 15 18.062 -7.294 -35.143 1.00 0.00 H new ATOM 0 HD22 ASN A 15 17.556 -8.582 -34.045 1.00 0.00 H new ATOM 263 N LYS A 16 19.870 -11.189 -33.894 1.00 0.00 N ATOM 264 CA LYS A 16 20.419 -11.657 -32.591 1.00 0.00 C ATOM 265 C LYS A 16 19.533 -11.147 -31.453 1.00 0.00 C ATOM 266 O LYS A 16 18.591 -11.799 -31.049 1.00 0.00 O ATOM 267 CB LYS A 16 21.840 -11.118 -32.414 1.00 0.00 C ATOM 268 CG LYS A 16 22.848 -12.227 -32.716 1.00 0.00 C ATOM 269 CD LYS A 16 23.603 -11.896 -34.004 1.00 0.00 C ATOM 270 CE LYS A 16 23.907 -13.186 -34.766 1.00 0.00 C ATOM 271 NZ LYS A 16 25.330 -13.567 -34.548 1.00 0.00 N ATOM 0 H LYS A 16 20.052 -10.210 -34.115 1.00 0.00 H new ATOM 0 HA LYS A 16 20.440 -12.747 -32.574 1.00 0.00 H new ATOM 0 HB2 LYS A 16 22.005 -10.271 -33.080 1.00 0.00 H new ATOM 0 HB3 LYS A 16 21.978 -10.754 -31.396 1.00 0.00 H new ATOM 0 HG2 LYS A 16 23.549 -12.331 -31.888 1.00 0.00 H new ATOM 0 HG3 LYS A 16 22.333 -13.182 -32.819 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.007 -11.227 -34.625 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.530 -11.373 -33.770 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.249 -13.986 -34.426 1.00 0.00 H new ATOM 0 HE3 LYS A 16 23.716 -13.046 -35.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 25.538 -14.445 -35.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 25.950 -12.806 -34.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 25.498 -13.717 -33.533 1.00 0.00 H new ATOM 285 N ASN A 17 19.826 -9.986 -30.933 1.00 0.00 N ATOM 286 CA ASN A 17 18.999 -9.439 -29.823 1.00 0.00 C ATOM 287 C ASN A 17 18.927 -10.464 -28.690 1.00 0.00 C ATOM 288 O ASN A 17 17.873 -10.736 -28.153 1.00 0.00 O ATOM 289 CB ASN A 17 17.587 -9.147 -30.334 1.00 0.00 C ATOM 290 CG ASN A 17 17.542 -7.742 -30.937 1.00 0.00 C ATOM 291 OD1 ASN A 17 17.768 -7.566 -32.117 1.00 0.00 O ATOM 292 ND2 ASN A 17 17.257 -6.726 -30.169 1.00 0.00 N ATOM 0 H ASN A 17 20.602 -9.394 -31.229 1.00 0.00 H new ATOM 0 HA ASN A 17 19.450 -8.518 -29.454 1.00 0.00 H new ATOM 0 HB2 ASN A 17 17.300 -9.885 -31.083 1.00 0.00 H new ATOM 0 HB3 ASN A 17 16.870 -9.227 -29.517 1.00 0.00 H new ATOM 0 HD21 ASN A 17 17.224 -5.785 -30.560 1.00 0.00 H new ATOM 0 HD22 ASN A 17 17.067 -6.873 -29.178 1.00 0.00 H new ATOM 299 N ILE A 18 20.041 -11.036 -28.326 1.00 0.00 N ATOM 300 CA ILE A 18 20.036 -12.044 -27.231 1.00 0.00 C ATOM 301 C ILE A 18 19.995 -11.331 -25.878 1.00 0.00 C ATOM 302 O ILE A 18 20.993 -10.832 -25.398 1.00 0.00 O ATOM 303 CB ILE A 18 21.302 -12.899 -27.320 1.00 0.00 C ATOM 304 CG1 ILE A 18 22.518 -11.988 -27.507 1.00 0.00 C ATOM 305 CG2 ILE A 18 21.191 -13.852 -28.511 1.00 0.00 C ATOM 306 CD1 ILE A 18 23.614 -12.389 -26.520 1.00 0.00 C ATOM 0 H ILE A 18 20.954 -10.849 -28.740 1.00 0.00 H new ATOM 0 HA ILE A 18 19.158 -12.682 -27.330 1.00 0.00 H new ATOM 0 HB ILE A 18 21.417 -13.477 -26.403 1.00 0.00 H new ATOM 0 HG12 ILE A 18 22.889 -12.065 -28.529 1.00 0.00 H new ATOM 0 HG13 ILE A 18 22.234 -10.948 -27.348 1.00 0.00 H new ATOM 0 HG21 ILE A 18 22.093 -14.461 -28.575 1.00 0.00 H new ATOM 0 HG22 ILE A 18 20.324 -14.499 -28.379 1.00 0.00 H new ATOM 0 HG23 ILE A 18 21.077 -13.275 -29.429 1.00 0.00 H new ATOM 0 HD11 ILE A 18 24.479 -11.740 -26.654 1.00 0.00 H new ATOM 0 HD12 ILE A 18 23.240 -12.290 -25.501 1.00 0.00 H new ATOM 0 HD13 ILE A 18 23.905 -13.424 -26.700 1.00 0.00 H new ATOM 318 N LYS A 19 18.846 -11.281 -25.259 1.00 0.00 N ATOM 319 CA LYS A 19 18.741 -10.603 -23.936 1.00 0.00 C ATOM 320 C LYS A 19 18.206 -11.595 -22.901 1.00 0.00 C ATOM 321 O LYS A 19 17.018 -11.842 -22.822 1.00 0.00 O ATOM 322 CB LYS A 19 17.786 -9.412 -24.044 1.00 0.00 C ATOM 323 CG LYS A 19 18.593 -8.113 -24.104 1.00 0.00 C ATOM 324 CD LYS A 19 18.450 -7.487 -25.492 1.00 0.00 C ATOM 325 CE LYS A 19 19.542 -6.435 -25.693 1.00 0.00 C ATOM 326 NZ LYS A 19 20.730 -7.069 -26.331 1.00 0.00 N ATOM 0 H LYS A 19 17.976 -11.680 -25.613 1.00 0.00 H new ATOM 0 HA LYS A 19 19.725 -10.249 -23.629 1.00 0.00 H new ATOM 0 HB2 LYS A 19 17.166 -9.509 -24.936 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.112 -9.394 -23.188 1.00 0.00 H new ATOM 0 HG2 LYS A 19 18.241 -7.418 -23.342 1.00 0.00 H new ATOM 0 HG3 LYS A 19 19.643 -8.314 -23.891 1.00 0.00 H new ATOM 0 HD2 LYS A 19 18.527 -8.257 -26.259 1.00 0.00 H new ATOM 0 HD3 LYS A 19 17.466 -7.030 -25.597 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.170 -5.624 -26.318 1.00 0.00 H new ATOM 0 HE3 LYS A 19 19.821 -5.997 -24.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 21.473 -6.354 -26.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 21.089 -7.829 -25.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 20.458 -7.467 -27.253 1.00 0.00 H new ATOM 340 N VAL A 20 19.070 -12.166 -22.107 1.00 0.00 N ATOM 341 CA VAL A 20 18.607 -13.143 -21.082 1.00 0.00 C ATOM 342 C VAL A 20 18.361 -12.418 -19.756 1.00 0.00 C ATOM 343 O VAL A 20 19.258 -11.837 -19.180 1.00 0.00 O ATOM 344 CB VAL A 20 19.678 -14.218 -20.882 1.00 0.00 C ATOM 345 CG1 VAL A 20 19.666 -15.180 -22.072 1.00 0.00 C ATOM 346 CG2 VAL A 20 21.053 -13.553 -20.780 1.00 0.00 C ATOM 0 H VAL A 20 20.076 -11.998 -22.124 1.00 0.00 H new ATOM 0 HA VAL A 20 17.681 -13.608 -21.418 1.00 0.00 H new ATOM 0 HB VAL A 20 19.470 -14.771 -19.966 1.00 0.00 H new ATOM 0 HG11 VAL A 20 20.429 -15.945 -21.929 1.00 0.00 H new ATOM 0 HG12 VAL A 20 18.687 -15.653 -22.147 1.00 0.00 H new ATOM 0 HG13 VAL A 20 19.874 -14.628 -22.988 1.00 0.00 H new ATOM 0 HG21 VAL A 20 21.817 -14.317 -20.637 1.00 0.00 H new ATOM 0 HG22 VAL A 20 21.259 -13.001 -21.697 1.00 0.00 H new ATOM 0 HG23 VAL A 20 21.063 -12.867 -19.933 1.00 0.00 H new ATOM 356 N ASN A 21 17.151 -12.451 -19.267 1.00 0.00 N ATOM 357 CA ASN A 21 16.850 -11.766 -17.978 1.00 0.00 C ATOM 358 C ASN A 21 15.482 -12.221 -17.464 1.00 0.00 C ATOM 359 O ASN A 21 14.472 -11.599 -17.728 1.00 0.00 O ATOM 360 CB ASN A 21 16.833 -10.251 -18.194 1.00 0.00 C ATOM 361 CG ASN A 21 17.739 -9.578 -17.161 1.00 0.00 C ATOM 362 OD1 ASN A 21 18.024 -10.145 -16.124 1.00 0.00 O ATOM 363 ND2 ASN A 21 18.205 -8.385 -17.401 1.00 0.00 N ATOM 0 H ASN A 21 16.359 -12.922 -19.704 1.00 0.00 H new ATOM 0 HA ASN A 21 17.617 -12.020 -17.247 1.00 0.00 H new ATOM 0 HB2 ASN A 21 17.173 -10.013 -19.202 1.00 0.00 H new ATOM 0 HB3 ASN A 21 15.815 -9.871 -18.103 1.00 0.00 H new ATOM 0 HD21 ASN A 21 18.809 -7.927 -16.719 1.00 0.00 H new ATOM 0 HD22 ASN A 21 17.966 -7.910 -18.271 1.00 0.00 H new ATOM 370 N THR A 22 15.441 -13.300 -16.732 1.00 0.00 N ATOM 371 CA THR A 22 14.139 -13.790 -16.201 1.00 0.00 C ATOM 372 C THR A 22 14.226 -13.923 -14.679 1.00 0.00 C ATOM 373 O THR A 22 15.223 -14.361 -14.141 1.00 0.00 O ATOM 374 CB THR A 22 13.815 -15.154 -16.813 1.00 0.00 C ATOM 375 OG1 THR A 22 15.017 -15.888 -16.997 1.00 0.00 O ATOM 376 CG2 THR A 22 13.122 -14.960 -18.163 1.00 0.00 C ATOM 0 H THR A 22 16.253 -13.863 -16.479 1.00 0.00 H new ATOM 0 HA THR A 22 13.353 -13.081 -16.461 1.00 0.00 H new ATOM 0 HB THR A 22 13.153 -15.703 -16.143 1.00 0.00 H new ATOM 0 HG1 THR A 22 14.810 -16.763 -17.387 1.00 0.00 H new ATOM 0 HG21 THR A 22 12.892 -15.933 -18.597 1.00 0.00 H new ATOM 0 HG22 THR A 22 12.198 -14.399 -18.021 1.00 0.00 H new ATOM 0 HG23 THR A 22 13.781 -14.410 -18.835 1.00 0.00 H new ATOM 384 N TYR A 23 13.189 -13.549 -13.980 1.00 0.00 N ATOM 385 CA TYR A 23 13.213 -13.657 -12.495 1.00 0.00 C ATOM 386 C TYR A 23 12.649 -15.015 -12.075 1.00 0.00 C ATOM 387 O TYR A 23 11.641 -15.097 -11.401 1.00 0.00 O ATOM 388 CB TYR A 23 12.360 -12.540 -11.890 1.00 0.00 C ATOM 389 CG TYR A 23 13.184 -11.750 -10.902 1.00 0.00 C ATOM 390 CD1 TYR A 23 13.397 -12.250 -9.611 1.00 0.00 C ATOM 391 CD2 TYR A 23 13.733 -10.516 -11.276 1.00 0.00 C ATOM 392 CE1 TYR A 23 14.160 -11.515 -8.693 1.00 0.00 C ATOM 393 CE2 TYR A 23 14.497 -9.783 -10.359 1.00 0.00 C ATOM 394 CZ TYR A 23 14.710 -10.282 -9.067 1.00 0.00 C ATOM 395 OH TYR A 23 15.460 -9.558 -8.163 1.00 0.00 O ATOM 0 H TYR A 23 12.326 -13.173 -14.374 1.00 0.00 H new ATOM 0 HA TYR A 23 14.239 -13.564 -12.139 1.00 0.00 H new ATOM 0 HB2 TYR A 23 11.991 -11.883 -12.678 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.487 -12.964 -11.394 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.974 -13.201 -9.323 1.00 0.00 H new ATOM 0 HD2 TYR A 23 13.567 -10.130 -12.271 1.00 0.00 H new ATOM 0 HE1 TYR A 23 14.324 -11.899 -7.697 1.00 0.00 H new ATOM 0 HE2 TYR A 23 14.922 -8.833 -10.648 1.00 0.00 H new ATOM 0 HH TYR A 23 15.767 -8.728 -8.584 1.00 0.00 H new ATOM 405 N ARG A 24 13.287 -16.082 -12.472 1.00 0.00 N ATOM 406 CA ARG A 24 12.784 -17.435 -12.098 1.00 0.00 C ATOM 407 C ARG A 24 11.269 -17.489 -12.304 1.00 0.00 C ATOM 408 O ARG A 24 10.499 -17.205 -11.407 1.00 0.00 O ATOM 409 CB ARG A 24 13.109 -17.714 -10.629 1.00 0.00 C ATOM 410 CG ARG A 24 13.951 -18.988 -10.527 1.00 0.00 C ATOM 411 CD ARG A 24 14.843 -18.913 -9.286 1.00 0.00 C ATOM 412 NE ARG A 24 14.099 -19.436 -8.107 1.00 0.00 N ATOM 413 CZ ARG A 24 13.631 -18.610 -7.212 1.00 0.00 C ATOM 414 NH1 ARG A 24 14.423 -18.126 -6.294 1.00 0.00 N ATOM 415 NH2 ARG A 24 12.372 -18.269 -7.234 1.00 0.00 N ATOM 0 H ARG A 24 14.135 -16.076 -13.039 1.00 0.00 H new ATOM 0 HA ARG A 24 13.264 -18.187 -12.724 1.00 0.00 H new ATOM 0 HB2 ARG A 24 13.651 -16.872 -10.199 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.188 -17.827 -10.057 1.00 0.00 H new ATOM 0 HG2 ARG A 24 13.302 -19.862 -10.469 1.00 0.00 H new ATOM 0 HG3 ARG A 24 14.563 -19.104 -11.421 1.00 0.00 H new ATOM 0 HD2 ARG A 24 15.752 -19.494 -9.443 1.00 0.00 H new ATOM 0 HD3 ARG A 24 15.150 -17.882 -9.108 1.00 0.00 H new ATOM 0 HE ARG A 24 13.955 -20.440 -7.999 1.00 0.00 H new ATOM 0 HH11 ARG A 24 15.407 -18.394 -6.277 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.058 -17.480 -5.594 1.00 0.00 H new ATOM 0 HH21 ARG A 24 11.753 -18.648 -7.951 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.006 -17.623 -6.534 1.00 0.00 H new ATOM 429 N THR A 25 10.834 -17.848 -13.481 1.00 0.00 N ATOM 430 CA THR A 25 9.368 -17.918 -13.744 1.00 0.00 C ATOM 431 C THR A 25 8.961 -19.373 -13.985 1.00 0.00 C ATOM 432 O THR A 25 9.586 -20.086 -14.745 1.00 0.00 O ATOM 433 CB THR A 25 9.034 -17.083 -14.983 1.00 0.00 C ATOM 434 OG1 THR A 25 9.936 -15.988 -15.069 1.00 0.00 O ATOM 435 CG2 THR A 25 7.602 -16.561 -14.880 1.00 0.00 C ATOM 0 H THR A 25 11.429 -18.096 -14.271 1.00 0.00 H new ATOM 0 HA THR A 25 8.825 -17.528 -12.883 1.00 0.00 H new ATOM 0 HB THR A 25 9.126 -17.702 -15.875 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.726 -15.452 -15.862 1.00 0.00 H new ATOM 0 HG21 THR A 25 7.367 -15.967 -15.763 1.00 0.00 H new ATOM 0 HG22 THR A 25 6.912 -17.402 -14.814 1.00 0.00 H new ATOM 0 HG23 THR A 25 7.504 -15.941 -13.989 1.00 0.00 H new ATOM 443 N SER A 26 7.916 -19.819 -13.343 1.00 0.00 N ATOM 444 CA SER A 26 7.467 -21.226 -13.535 1.00 0.00 C ATOM 445 C SER A 26 5.948 -21.301 -13.368 1.00 0.00 C ATOM 446 O SER A 26 5.381 -20.691 -12.484 1.00 0.00 O ATOM 447 CB SER A 26 8.140 -22.121 -12.495 1.00 0.00 C ATOM 448 OG SER A 26 8.379 -21.369 -11.312 1.00 0.00 O ATOM 0 H SER A 26 7.354 -19.269 -12.694 1.00 0.00 H new ATOM 0 HA SER A 26 7.740 -21.563 -14.535 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.506 -22.979 -12.272 1.00 0.00 H new ATOM 0 HB3 SER A 26 9.079 -22.511 -12.887 1.00 0.00 H new ATOM 0 HG SER A 26 8.809 -21.941 -10.642 1.00 0.00 H new ATOM 454 N ALA A 27 5.283 -22.044 -14.212 1.00 0.00 N ATOM 455 CA ALA A 27 3.801 -22.152 -14.100 1.00 0.00 C ATOM 456 C ALA A 27 3.169 -20.799 -14.431 1.00 0.00 C ATOM 457 O ALA A 27 3.552 -19.777 -13.899 1.00 0.00 O ATOM 458 CB ALA A 27 3.424 -22.556 -12.673 1.00 0.00 C ATOM 0 H ALA A 27 5.702 -22.580 -14.972 1.00 0.00 H new ATOM 0 HA ALA A 27 3.436 -22.906 -14.797 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.340 -22.635 -12.592 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.877 -23.519 -12.436 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.787 -21.803 -11.974 1.00 0.00 H new ATOM 464 N MET A 28 2.202 -20.783 -15.308 1.00 0.00 N ATOM 465 CA MET A 28 1.551 -19.495 -15.673 1.00 0.00 C ATOM 466 C MET A 28 0.337 -19.257 -14.772 1.00 0.00 C ATOM 467 O MET A 28 -0.733 -19.784 -15.004 1.00 0.00 O ATOM 468 CB MET A 28 1.099 -19.547 -17.134 1.00 0.00 C ATOM 469 CG MET A 28 0.898 -18.124 -17.654 1.00 0.00 C ATOM 470 SD MET A 28 1.217 -18.084 -19.435 1.00 0.00 S ATOM 471 CE MET A 28 1.892 -16.406 -19.507 1.00 0.00 C ATOM 0 H MET A 28 1.836 -21.606 -15.786 1.00 0.00 H new ATOM 0 HA MET A 28 2.264 -18.681 -15.541 1.00 0.00 H new ATOM 0 HB2 MET A 28 1.844 -20.065 -17.738 1.00 0.00 H new ATOM 0 HB3 MET A 28 0.171 -20.112 -17.219 1.00 0.00 H new ATOM 0 HG2 MET A 28 -0.119 -17.790 -17.448 1.00 0.00 H new ATOM 0 HG3 MET A 28 1.570 -17.438 -17.138 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.162 -16.166 -20.535 1.00 0.00 H new ATOM 0 HE2 MET A 28 1.143 -15.697 -19.154 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.778 -16.343 -18.875 1.00 0.00 H new ATOM 481 N ASP A 29 0.495 -18.467 -13.746 1.00 0.00 N ATOM 482 CA ASP A 29 -0.648 -18.192 -12.830 1.00 0.00 C ATOM 483 C ASP A 29 -0.329 -16.969 -11.971 1.00 0.00 C ATOM 484 O ASP A 29 -0.885 -15.905 -12.155 1.00 0.00 O ATOM 485 CB ASP A 29 -0.884 -19.405 -11.927 1.00 0.00 C ATOM 486 CG ASP A 29 -1.712 -20.448 -12.679 1.00 0.00 C ATOM 487 OD1 ASP A 29 -2.594 -20.052 -13.422 1.00 0.00 O ATOM 488 OD2 ASP A 29 -1.449 -21.626 -12.500 1.00 0.00 O ATOM 0 H ASP A 29 1.368 -17.999 -13.502 1.00 0.00 H new ATOM 0 HA ASP A 29 -1.546 -17.999 -13.417 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.070 -19.835 -11.621 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.403 -19.100 -11.018 1.00 0.00 H new ATOM 493 N LEU A 30 0.566 -17.114 -11.036 1.00 0.00 N ATOM 494 CA LEU A 30 0.929 -15.963 -10.161 1.00 0.00 C ATOM 495 C LEU A 30 2.328 -15.465 -10.533 1.00 0.00 C ATOM 496 O LEU A 30 3.282 -15.666 -9.807 1.00 0.00 O ATOM 497 CB LEU A 30 0.915 -16.411 -8.698 1.00 0.00 C ATOM 498 CG LEU A 30 -0.469 -16.153 -8.098 1.00 0.00 C ATOM 499 CD1 LEU A 30 -1.079 -17.476 -7.631 1.00 0.00 C ATOM 500 CD2 LEU A 30 -0.337 -15.205 -6.904 1.00 0.00 C ATOM 0 H LEU A 30 1.064 -17.982 -10.838 1.00 0.00 H new ATOM 0 HA LEU A 30 0.208 -15.157 -10.299 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.161 -17.471 -8.629 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.674 -15.870 -8.134 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.113 -15.702 -8.853 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.065 -17.291 -7.204 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.172 -18.153 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.435 -17.927 -6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.322 -15.020 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.308 -15.657 -6.150 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.098 -14.262 -7.235 1.00 0.00 H new ATOM 512 N SER A 31 2.458 -14.816 -11.658 1.00 0.00 N ATOM 513 CA SER A 31 3.796 -14.307 -12.074 1.00 0.00 C ATOM 514 C SER A 31 3.655 -12.878 -12.611 1.00 0.00 C ATOM 515 O SER A 31 2.653 -12.540 -13.209 1.00 0.00 O ATOM 516 CB SER A 31 4.365 -15.207 -13.173 1.00 0.00 C ATOM 517 OG SER A 31 3.357 -16.110 -13.609 1.00 0.00 O ATOM 0 H SER A 31 1.696 -14.616 -12.306 1.00 0.00 H new ATOM 0 HA SER A 31 4.468 -14.310 -11.216 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.714 -14.602 -14.010 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.226 -15.759 -12.797 1.00 0.00 H new ATOM 0 HG SER A 31 3.718 -16.687 -14.314 1.00 0.00 H new ATOM 523 N PRO A 32 4.667 -12.082 -12.377 1.00 0.00 N ATOM 524 CA PRO A 32 4.692 -10.678 -12.824 1.00 0.00 C ATOM 525 C PRO A 32 5.042 -10.598 -14.312 1.00 0.00 C ATOM 526 O PRO A 32 5.979 -11.219 -14.773 1.00 0.00 O ATOM 527 CB PRO A 32 5.796 -10.050 -11.971 1.00 0.00 C ATOM 528 CG PRO A 32 6.710 -11.214 -11.515 1.00 0.00 C ATOM 529 CD PRO A 32 5.879 -12.505 -11.646 1.00 0.00 C ATOM 0 HA PRO A 32 3.732 -10.174 -12.710 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.360 -9.315 -12.545 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.374 -9.528 -11.112 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.607 -11.267 -12.132 1.00 0.00 H new ATOM 0 HG3 PRO A 32 7.039 -11.068 -10.486 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.424 -13.276 -12.191 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.631 -12.920 -10.669 1.00 0.00 H new ATOM 537 N GLY A 33 4.297 -9.838 -15.066 1.00 0.00 N ATOM 538 CA GLY A 33 4.589 -9.719 -16.523 1.00 0.00 C ATOM 539 C GLY A 33 3.586 -10.559 -17.315 1.00 0.00 C ATOM 540 O GLY A 33 3.884 -11.055 -18.384 1.00 0.00 O ATOM 0 H GLY A 33 3.499 -9.294 -14.737 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.530 -8.676 -16.832 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.605 -10.056 -16.730 1.00 0.00 H new ATOM 544 N SER A 34 2.399 -10.722 -16.800 1.00 0.00 N ATOM 545 CA SER A 34 1.377 -11.529 -17.523 1.00 0.00 C ATOM 546 C SER A 34 0.225 -10.620 -17.954 1.00 0.00 C ATOM 547 O SER A 34 -0.004 -9.576 -17.376 1.00 0.00 O ATOM 548 CB SER A 34 0.845 -12.626 -16.601 1.00 0.00 C ATOM 549 OG SER A 34 1.405 -13.875 -16.986 1.00 0.00 O ATOM 0 H SER A 34 2.093 -10.331 -15.909 1.00 0.00 H new ATOM 0 HA SER A 34 1.830 -11.986 -18.403 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.102 -12.403 -15.565 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.243 -12.669 -16.658 1.00 0.00 H new ATOM 0 HG SER A 34 1.067 -14.581 -16.396 1.00 0.00 H new ATOM 555 N VAL A 35 -0.502 -11.009 -18.965 1.00 0.00 N ATOM 556 CA VAL A 35 -1.639 -10.168 -19.433 1.00 0.00 C ATOM 557 C VAL A 35 -2.949 -10.926 -19.221 1.00 0.00 C ATOM 558 O VAL A 35 -3.099 -12.056 -19.644 1.00 0.00 O ATOM 559 CB VAL A 35 -1.459 -9.856 -20.919 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.023 -9.391 -21.170 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.735 -11.118 -21.741 1.00 0.00 C ATOM 0 H VAL A 35 -0.358 -11.873 -19.487 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.665 -9.236 -18.868 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.154 -9.070 -21.213 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.107 -9.168 -22.229 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.177 -8.495 -20.583 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.671 -10.179 -20.877 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.607 -10.897 -22.801 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.038 -11.903 -21.447 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.756 -11.453 -21.561 1.00 0.00 H new ATOM 571 N HIS A 36 -3.901 -10.318 -18.567 1.00 0.00 N ATOM 572 CA HIS A 36 -5.197 -11.014 -18.331 1.00 0.00 C ATOM 573 C HIS A 36 -6.347 -10.012 -18.425 1.00 0.00 C ATOM 574 O HIS A 36 -6.142 -8.813 -18.442 1.00 0.00 O ATOM 575 CB HIS A 36 -5.191 -11.646 -16.936 1.00 0.00 C ATOM 576 CG HIS A 36 -4.118 -12.696 -16.864 1.00 0.00 C ATOM 577 ND1 HIS A 36 -4.411 -14.051 -16.829 1.00 0.00 N ATOM 578 CD2 HIS A 36 -2.749 -12.608 -16.817 1.00 0.00 C ATOM 579 CE1 HIS A 36 -3.244 -14.717 -16.763 1.00 0.00 C ATOM 580 NE2 HIS A 36 -2.200 -13.885 -16.753 1.00 0.00 N ATOM 0 H HIS A 36 -3.838 -9.373 -18.187 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.329 -11.789 -19.085 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -5.017 -10.881 -16.180 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.163 -12.090 -16.722 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -5.342 -14.467 -16.850 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.184 -11.688 -16.828 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.162 -15.793 -16.723 1.00 0.00 H new ATOM 588 N GLU A 37 -7.560 -10.493 -18.482 1.00 0.00 N ATOM 589 CA GLU A 37 -8.726 -9.572 -18.570 1.00 0.00 C ATOM 590 C GLU A 37 -9.379 -9.447 -17.192 1.00 0.00 C ATOM 591 O GLU A 37 -9.473 -10.404 -16.448 1.00 0.00 O ATOM 592 CB GLU A 37 -9.743 -10.127 -19.571 1.00 0.00 C ATOM 593 CG GLU A 37 -10.257 -8.993 -20.460 1.00 0.00 C ATOM 594 CD GLU A 37 -10.268 -9.454 -21.918 1.00 0.00 C ATOM 595 OE1 GLU A 37 -10.693 -10.571 -22.163 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.853 -8.681 -22.767 1.00 0.00 O ATOM 0 H GLU A 37 -7.792 -11.486 -18.471 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.390 -8.590 -18.904 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.281 -10.902 -20.183 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.574 -10.593 -19.041 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -11.261 -8.702 -20.152 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.622 -8.114 -20.350 1.00 0.00 H new ATOM 603 N GLY A 38 -9.823 -8.272 -16.844 1.00 0.00 N ATOM 604 CA GLY A 38 -10.465 -8.074 -15.514 1.00 0.00 C ATOM 605 C GLY A 38 -11.499 -6.952 -15.613 1.00 0.00 C ATOM 606 O GLY A 38 -11.654 -6.328 -16.645 1.00 0.00 O ATOM 0 H GLY A 38 -9.769 -7.436 -17.426 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.944 -8.997 -15.188 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.711 -7.824 -14.767 1.00 0.00 H new ATOM 610 N ILE A 39 -12.207 -6.683 -14.550 1.00 0.00 N ATOM 611 CA ILE A 39 -13.225 -5.597 -14.593 1.00 0.00 C ATOM 612 C ILE A 39 -12.597 -4.323 -14.029 1.00 0.00 C ATOM 613 O ILE A 39 -11.666 -4.375 -13.252 1.00 0.00 O ATOM 614 CB ILE A 39 -14.439 -5.993 -13.748 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.815 -7.447 -14.047 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.620 -5.083 -14.091 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.818 -7.942 -13.003 1.00 0.00 C ATOM 0 H ILE A 39 -12.124 -7.167 -13.656 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.551 -5.430 -15.620 1.00 0.00 H new ATOM 0 HB ILE A 39 -14.194 -5.888 -12.691 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.246 -7.524 -15.045 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -13.923 -8.074 -14.035 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.484 -5.365 -13.489 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -15.354 -4.047 -13.881 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.865 -5.187 -15.148 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -16.085 -8.977 -13.217 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -15.371 -7.880 -12.011 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.714 -7.322 -13.036 1.00 0.00 H new ATOM 629 N VAL A 40 -13.078 -3.180 -14.429 1.00 0.00 N ATOM 630 CA VAL A 40 -12.475 -1.914 -13.926 1.00 0.00 C ATOM 631 C VAL A 40 -13.311 -1.343 -12.780 1.00 0.00 C ATOM 632 O VAL A 40 -14.505 -1.549 -12.700 1.00 0.00 O ATOM 633 CB VAL A 40 -12.410 -0.897 -15.066 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.673 0.356 -14.593 1.00 0.00 C ATOM 635 CG2 VAL A 40 -11.660 -1.511 -16.251 1.00 0.00 C ATOM 0 H VAL A 40 -13.857 -3.067 -15.078 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.471 -2.123 -13.557 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.421 -0.629 -15.372 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.627 1.080 -15.406 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.204 0.793 -13.747 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.661 0.089 -14.287 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -11.612 -0.788 -17.065 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -10.649 -1.778 -15.943 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.184 -2.405 -16.590 1.00 0.00 H new ATOM 645 N TYR A 41 -12.683 -0.621 -11.892 1.00 0.00 N ATOM 646 CA TYR A 41 -13.424 -0.023 -10.746 1.00 0.00 C ATOM 647 C TYR A 41 -12.783 1.318 -10.379 1.00 0.00 C ATOM 648 O TYR A 41 -11.600 1.521 -10.566 1.00 0.00 O ATOM 649 CB TYR A 41 -13.355 -0.967 -9.544 1.00 0.00 C ATOM 650 CG TYR A 41 -14.685 -0.970 -8.829 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.042 0.110 -8.011 1.00 0.00 C ATOM 652 CD2 TYR A 41 -15.562 -2.052 -8.983 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.277 0.108 -7.347 1.00 0.00 C ATOM 654 CE2 TYR A 41 -16.796 -2.054 -8.320 1.00 0.00 C ATOM 655 CZ TYR A 41 -17.153 -0.975 -7.501 1.00 0.00 C ATOM 656 OH TYR A 41 -18.368 -0.978 -6.847 1.00 0.00 O ATOM 0 H TYR A 41 -11.683 -0.419 -11.912 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.467 0.132 -11.024 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.105 -1.975 -9.874 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.565 -0.649 -8.864 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.366 0.944 -7.892 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -15.286 -2.885 -9.613 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -16.553 0.941 -6.717 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -17.472 -2.887 -8.440 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.854 -1.801 -7.063 1.00 0.00 H new ATOM 666 N PHE A 42 -13.553 2.237 -9.864 1.00 0.00 N ATOM 667 CA PHE A 42 -12.984 3.563 -9.492 1.00 0.00 C ATOM 668 C PHE A 42 -12.933 3.689 -7.968 1.00 0.00 C ATOM 669 O PHE A 42 -13.926 3.520 -7.289 1.00 0.00 O ATOM 670 CB PHE A 42 -13.866 4.674 -10.063 1.00 0.00 C ATOM 671 CG PHE A 42 -13.090 5.969 -10.092 1.00 0.00 C ATOM 672 CD1 PHE A 42 -13.032 6.777 -8.948 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.428 6.362 -11.261 1.00 0.00 C ATOM 674 CE1 PHE A 42 -12.311 7.978 -8.975 1.00 0.00 C ATOM 675 CE2 PHE A 42 -11.707 7.563 -11.289 1.00 0.00 C ATOM 676 CZ PHE A 42 -11.649 8.371 -10.146 1.00 0.00 C ATOM 0 H PHE A 42 -14.551 2.127 -9.685 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.976 3.651 -9.898 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.194 4.412 -11.069 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.763 4.789 -9.455 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.543 6.474 -8.046 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.473 5.739 -12.142 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.265 8.601 -8.094 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.196 7.866 -12.191 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.094 9.297 -10.167 1.00 0.00 H new ATOM 686 N LYS A 43 -11.784 3.988 -7.424 1.00 0.00 N ATOM 687 CA LYS A 43 -11.682 4.127 -5.944 1.00 0.00 C ATOM 688 C LYS A 43 -10.223 4.348 -5.543 1.00 0.00 C ATOM 689 O LYS A 43 -9.311 3.868 -6.187 1.00 0.00 O ATOM 690 CB LYS A 43 -12.210 2.857 -5.276 1.00 0.00 C ATOM 691 CG LYS A 43 -13.588 3.135 -4.674 1.00 0.00 C ATOM 692 CD LYS A 43 -13.481 3.170 -3.148 1.00 0.00 C ATOM 693 CE LYS A 43 -14.075 4.478 -2.624 1.00 0.00 C ATOM 694 NZ LYS A 43 -13.141 5.602 -2.918 1.00 0.00 N ATOM 0 H LYS A 43 -10.916 4.141 -7.938 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.275 4.983 -5.621 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.276 2.050 -6.005 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -11.521 2.528 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.973 4.085 -5.044 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -14.294 2.363 -4.982 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.009 2.320 -2.716 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.438 3.085 -2.844 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -15.042 4.663 -3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -14.248 4.407 -1.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -13.399 6.428 -2.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.168 5.312 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -13.204 5.851 -3.926 1.00 0.00 H new ATOM 708 N ASP A 44 -9.997 5.073 -4.481 1.00 0.00 N ATOM 709 CA ASP A 44 -8.600 5.330 -4.032 1.00 0.00 C ATOM 710 C ASP A 44 -7.923 6.304 -5.000 1.00 0.00 C ATOM 711 O ASP A 44 -6.776 6.136 -5.364 1.00 0.00 O ATOM 712 CB ASP A 44 -7.821 4.013 -4.002 1.00 0.00 C ATOM 713 CG ASP A 44 -7.146 3.854 -2.638 1.00 0.00 C ATOM 714 OD1 ASP A 44 -7.073 4.835 -1.917 1.00 0.00 O ATOM 715 OD2 ASP A 44 -6.713 2.753 -2.338 1.00 0.00 O ATOM 0 H ASP A 44 -10.722 5.499 -3.904 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.615 5.764 -3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -8.493 3.175 -4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -7.072 4.002 -4.794 1.00 0.00 H new ATOM 720 N GLY A 45 -8.625 7.320 -5.419 1.00 0.00 N ATOM 721 CA GLY A 45 -8.025 8.306 -6.364 1.00 0.00 C ATOM 722 C GLY A 45 -7.268 7.566 -7.470 1.00 0.00 C ATOM 723 O GLY A 45 -6.350 8.093 -8.065 1.00 0.00 O ATOM 0 H GLY A 45 -9.590 7.511 -5.148 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.806 8.929 -6.799 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -7.348 8.971 -5.829 1.00 0.00 H new ATOM 727 N ILE A 46 -7.650 6.352 -7.750 1.00 0.00 N ATOM 728 CA ILE A 46 -6.958 5.580 -8.819 1.00 0.00 C ATOM 729 C ILE A 46 -7.942 4.587 -9.431 1.00 0.00 C ATOM 730 O ILE A 46 -9.127 4.634 -9.168 1.00 0.00 O ATOM 731 CB ILE A 46 -5.774 4.818 -8.219 1.00 0.00 C ATOM 732 CG1 ILE A 46 -6.235 4.065 -6.968 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.669 5.805 -7.841 1.00 0.00 C ATOM 734 CD1 ILE A 46 -5.888 2.581 -7.108 1.00 0.00 C ATOM 0 H ILE A 46 -8.413 5.860 -7.284 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.594 6.263 -9.587 1.00 0.00 H new ATOM 0 HB ILE A 46 -5.390 4.108 -8.952 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -5.753 4.480 -6.083 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -7.310 4.187 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.826 5.262 -7.414 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.341 6.342 -8.731 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.051 6.516 -7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.216 2.045 -6.217 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -6.390 2.171 -7.984 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.810 2.469 -7.222 1.00 0.00 H new ATOM 746 N PHE A 47 -7.468 3.683 -10.241 1.00 0.00 N ATOM 747 CA PHE A 47 -8.390 2.691 -10.856 1.00 0.00 C ATOM 748 C PHE A 47 -8.241 1.355 -10.127 1.00 0.00 C ATOM 749 O PHE A 47 -7.405 1.203 -9.259 1.00 0.00 O ATOM 750 CB PHE A 47 -8.046 2.518 -12.335 1.00 0.00 C ATOM 751 CG PHE A 47 -8.857 3.496 -13.152 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.006 4.818 -12.712 1.00 0.00 C ATOM 753 CD2 PHE A 47 -9.461 3.081 -14.345 1.00 0.00 C ATOM 754 CE1 PHE A 47 -9.760 5.726 -13.466 1.00 0.00 C ATOM 755 CE2 PHE A 47 -10.215 3.989 -15.100 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.365 5.312 -14.660 1.00 0.00 C ATOM 0 H PHE A 47 -6.487 3.589 -10.503 1.00 0.00 H new ATOM 0 HA PHE A 47 -9.419 3.040 -10.771 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.981 2.687 -12.495 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -8.258 1.497 -12.653 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.539 5.137 -11.792 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.346 2.062 -14.683 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -9.875 6.745 -13.127 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -10.681 3.670 -16.021 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.947 6.012 -15.241 1.00 0.00 H new ATOM 766 N LYS A 48 -9.047 0.389 -10.464 1.00 0.00 N ATOM 767 CA LYS A 48 -8.946 -0.929 -9.780 1.00 0.00 C ATOM 768 C LYS A 48 -9.335 -2.042 -10.751 1.00 0.00 C ATOM 769 O LYS A 48 -10.153 -1.856 -11.631 1.00 0.00 O ATOM 770 CB LYS A 48 -9.889 -0.950 -8.576 1.00 0.00 C ATOM 771 CG LYS A 48 -9.165 -1.556 -7.372 1.00 0.00 C ATOM 772 CD LYS A 48 -9.934 -1.221 -6.093 1.00 0.00 C ATOM 773 CE LYS A 48 -10.045 -2.473 -5.221 1.00 0.00 C ATOM 774 NZ LYS A 48 -8.681 -2.981 -4.906 1.00 0.00 N ATOM 0 H LYS A 48 -9.769 0.454 -11.181 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.921 -1.085 -9.444 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.221 0.062 -8.343 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.780 -1.532 -8.809 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.085 -2.637 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.149 -1.166 -7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.423 -0.428 -5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -10.928 -0.848 -6.341 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.580 -2.241 -4.300 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.620 -3.240 -5.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.713 -3.542 -4.031 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.344 -3.579 -5.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.032 -2.178 -4.779 1.00 0.00 H new ATOM 788 N VAL A 49 -8.756 -3.200 -10.598 1.00 0.00 N ATOM 789 CA VAL A 49 -9.091 -4.328 -11.510 1.00 0.00 C ATOM 790 C VAL A 49 -9.512 -5.539 -10.678 1.00 0.00 C ATOM 791 O VAL A 49 -8.738 -6.077 -9.913 1.00 0.00 O ATOM 792 CB VAL A 49 -7.863 -4.683 -12.350 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.305 -5.430 -13.610 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.132 -3.400 -12.749 1.00 0.00 C ATOM 0 H VAL A 49 -8.064 -3.414 -9.880 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.908 -4.038 -12.170 1.00 0.00 H new ATOM 0 HB VAL A 49 -7.195 -5.317 -11.767 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.430 -5.683 -14.209 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.828 -6.344 -13.327 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.973 -4.796 -14.193 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.256 -3.651 -13.348 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.801 -2.767 -13.332 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.817 -2.867 -11.852 1.00 0.00 H new ATOM 804 N ARG A 50 -10.734 -5.973 -10.818 1.00 0.00 N ATOM 805 CA ARG A 50 -11.199 -7.148 -10.028 1.00 0.00 C ATOM 806 C ARG A 50 -11.117 -8.405 -10.893 1.00 0.00 C ATOM 807 O ARG A 50 -11.562 -8.423 -12.022 1.00 0.00 O ATOM 808 CB ARG A 50 -12.647 -6.928 -9.585 1.00 0.00 C ATOM 809 CG ARG A 50 -12.924 -7.746 -8.323 1.00 0.00 C ATOM 810 CD ARG A 50 -14.409 -7.647 -7.965 1.00 0.00 C ATOM 811 NE ARG A 50 -14.942 -9.009 -7.675 1.00 0.00 N ATOM 812 CZ ARG A 50 -16.222 -9.242 -7.769 1.00 0.00 C ATOM 813 NH1 ARG A 50 -17.080 -8.324 -7.415 1.00 0.00 N ATOM 814 NH2 ARG A 50 -16.643 -10.393 -8.217 1.00 0.00 N ATOM 0 H ARG A 50 -11.429 -5.566 -11.444 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.566 -7.267 -9.149 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.822 -5.870 -9.391 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.331 -7.224 -10.380 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.647 -8.788 -8.484 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -12.315 -7.378 -7.497 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -14.543 -7.000 -7.098 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.963 -7.196 -8.788 1.00 0.00 H new ATOM 0 HE ARG A 50 -14.306 -9.758 -7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -16.749 -7.425 -7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.081 -8.506 -7.488 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.971 -11.109 -8.493 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.644 -10.576 -8.291 1.00 0.00 H new ATOM 828 N LEU A 51 -10.546 -9.459 -10.374 1.00 0.00 N ATOM 829 CA LEU A 51 -10.435 -10.709 -11.175 1.00 0.00 C ATOM 830 C LEU A 51 -11.687 -11.567 -10.972 1.00 0.00 C ATOM 831 O LEU A 51 -11.784 -12.324 -10.027 1.00 0.00 O ATOM 832 CB LEU A 51 -9.199 -11.492 -10.728 1.00 0.00 C ATOM 833 CG LEU A 51 -8.347 -11.836 -11.949 1.00 0.00 C ATOM 834 CD1 LEU A 51 -7.416 -10.666 -12.271 1.00 0.00 C ATOM 835 CD2 LEU A 51 -7.513 -13.082 -11.651 1.00 0.00 C ATOM 0 H LEU A 51 -10.154 -9.507 -9.434 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.343 -10.454 -12.231 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.618 -10.902 -10.020 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.500 -12.404 -10.212 1.00 0.00 H new ATOM 0 HG LEU A 51 -8.997 -12.027 -12.803 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -6.809 -10.913 -13.142 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.009 -9.776 -12.483 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -6.765 -10.474 -11.418 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -6.904 -13.329 -12.521 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -6.864 -12.890 -10.797 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.175 -13.917 -11.423 1.00 0.00 H new ATOM 847 N LEU A 52 -12.643 -11.456 -11.854 1.00 0.00 N ATOM 848 CA LEU A 52 -13.884 -12.270 -11.711 1.00 0.00 C ATOM 849 C LEU A 52 -13.552 -13.743 -11.953 1.00 0.00 C ATOM 850 O LEU A 52 -12.795 -14.081 -12.840 1.00 0.00 O ATOM 851 CB LEU A 52 -14.923 -11.805 -12.735 1.00 0.00 C ATOM 852 CG LEU A 52 -16.197 -12.638 -12.580 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.377 -11.717 -12.265 1.00 0.00 C ATOM 854 CD2 LEU A 52 -16.475 -13.390 -13.885 1.00 0.00 C ATOM 0 H LEU A 52 -12.619 -10.839 -12.665 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.288 -12.146 -10.706 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.146 -10.748 -12.589 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -14.527 -11.910 -13.745 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.066 -13.352 -11.766 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.284 -12.312 -12.155 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -17.181 -11.179 -11.337 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.508 -11.003 -13.078 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -17.382 -13.984 -13.776 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -16.605 -12.674 -14.697 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -15.636 -14.048 -14.112 1.00 0.00 H new ATOM 866 N GLY A 53 -14.110 -14.622 -11.167 1.00 0.00 N ATOM 867 CA GLY A 53 -13.822 -16.073 -11.348 1.00 0.00 C ATOM 868 C GLY A 53 -12.942 -16.558 -10.195 1.00 0.00 C ATOM 869 O GLY A 53 -13.003 -17.703 -9.792 1.00 0.00 O ATOM 0 H GLY A 53 -14.753 -14.398 -10.407 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.752 -16.640 -11.375 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.319 -16.240 -12.301 1.00 0.00 H new ATOM 873 N TYR A 54 -12.129 -15.692 -9.659 1.00 0.00 N ATOM 874 CA TYR A 54 -11.246 -16.093 -8.528 1.00 0.00 C ATOM 875 C TYR A 54 -11.617 -15.274 -7.289 1.00 0.00 C ATOM 876 O TYR A 54 -10.848 -14.457 -6.821 1.00 0.00 O ATOM 877 CB TYR A 54 -9.787 -15.821 -8.899 1.00 0.00 C ATOM 878 CG TYR A 54 -9.116 -17.115 -9.299 1.00 0.00 C ATOM 879 CD1 TYR A 54 -9.225 -17.584 -10.615 1.00 0.00 C ATOM 880 CD2 TYR A 54 -8.380 -17.843 -8.354 1.00 0.00 C ATOM 881 CE1 TYR A 54 -8.599 -18.782 -10.985 1.00 0.00 C ATOM 882 CE2 TYR A 54 -7.755 -19.041 -8.724 1.00 0.00 C ATOM 883 CZ TYR A 54 -7.864 -19.511 -10.040 1.00 0.00 C ATOM 884 OH TYR A 54 -7.247 -20.689 -10.405 1.00 0.00 O ATOM 0 H TYR A 54 -12.037 -14.721 -9.956 1.00 0.00 H new ATOM 0 HA TYR A 54 -11.374 -17.155 -8.320 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.737 -15.105 -9.719 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.263 -15.374 -8.054 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.791 -17.023 -11.344 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.295 -17.480 -7.340 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -8.683 -19.144 -11.999 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -7.189 -19.602 -7.995 1.00 0.00 H new ATOM 0 HH TYR A 54 -6.779 -21.067 -9.631 1.00 0.00 H new ATOM 894 N GLU A 55 -12.792 -15.485 -6.758 1.00 0.00 N ATOM 895 CA GLU A 55 -13.223 -14.719 -5.552 1.00 0.00 C ATOM 896 C GLU A 55 -12.053 -14.600 -4.572 1.00 0.00 C ATOM 897 O GLU A 55 -11.670 -15.557 -3.928 1.00 0.00 O ATOM 898 CB GLU A 55 -14.385 -15.449 -4.873 1.00 0.00 C ATOM 899 CG GLU A 55 -15.651 -14.596 -4.972 1.00 0.00 C ATOM 900 CD GLU A 55 -16.876 -15.508 -5.068 1.00 0.00 C ATOM 901 OE1 GLU A 55 -17.025 -16.162 -6.088 1.00 0.00 O ATOM 902 OE2 GLU A 55 -17.643 -15.538 -4.120 1.00 0.00 O ATOM 0 H GLU A 55 -13.474 -16.157 -7.109 1.00 0.00 H new ATOM 0 HA GLU A 55 -13.544 -13.722 -5.853 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.548 -16.417 -5.348 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -14.145 -15.643 -3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -15.735 -13.948 -4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -15.598 -13.948 -5.847 1.00 0.00 H new ATOM 909 N GLY A 56 -11.482 -13.433 -4.458 1.00 0.00 N ATOM 910 CA GLY A 56 -10.337 -13.249 -3.524 1.00 0.00 C ATOM 911 C GLY A 56 -9.144 -12.672 -4.290 1.00 0.00 C ATOM 912 O GLY A 56 -8.003 -12.957 -3.986 1.00 0.00 O ATOM 0 H GLY A 56 -11.760 -12.597 -4.973 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -10.620 -12.580 -2.712 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -10.066 -14.203 -3.071 1.00 0.00 H new ATOM 916 N HIS A 57 -9.400 -11.867 -5.284 1.00 0.00 N ATOM 917 CA HIS A 57 -8.279 -11.276 -6.068 1.00 0.00 C ATOM 918 C HIS A 57 -8.602 -9.822 -6.418 1.00 0.00 C ATOM 919 O HIS A 57 -9.227 -9.538 -7.423 1.00 0.00 O ATOM 920 CB HIS A 57 -8.077 -12.079 -7.353 1.00 0.00 C ATOM 921 CG HIS A 57 -6.613 -12.368 -7.535 1.00 0.00 C ATOM 922 ND1 HIS A 57 -5.942 -12.074 -8.712 1.00 0.00 N ATOM 923 CD2 HIS A 57 -5.676 -12.918 -6.697 1.00 0.00 C ATOM 924 CE1 HIS A 57 -4.660 -12.446 -8.551 1.00 0.00 C ATOM 925 NE2 HIS A 57 -4.443 -12.968 -7.341 1.00 0.00 N ATOM 0 H HIS A 57 -10.335 -11.593 -5.587 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.367 -11.307 -5.472 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.640 -13.011 -7.305 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -8.458 -11.520 -8.208 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -5.866 -13.260 -5.690 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.898 -12.336 -9.308 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -3.563 -13.326 -6.969 1.00 0.00 H new ATOM 933 N GLU A 58 -8.173 -8.900 -5.600 1.00 0.00 N ATOM 934 CA GLU A 58 -8.442 -7.464 -5.882 1.00 0.00 C ATOM 935 C GLU A 58 -7.132 -6.780 -6.273 1.00 0.00 C ATOM 936 O GLU A 58 -6.167 -6.802 -5.537 1.00 0.00 O ATOM 937 CB GLU A 58 -9.019 -6.793 -4.634 1.00 0.00 C ATOM 938 CG GLU A 58 -10.460 -6.359 -4.907 1.00 0.00 C ATOM 939 CD GLU A 58 -11.339 -6.720 -3.708 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.929 -7.567 -2.930 1.00 0.00 O ATOM 941 OE2 GLU A 58 -12.408 -6.144 -3.588 1.00 0.00 O ATOM 0 H GLU A 58 -7.646 -9.082 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.160 -7.378 -6.697 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.990 -7.483 -3.791 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.414 -5.929 -4.360 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.499 -5.285 -5.089 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.834 -6.849 -5.806 1.00 0.00 H new ATOM 948 N CYS A 59 -7.090 -6.178 -7.427 1.00 0.00 N ATOM 949 CA CYS A 59 -5.839 -5.499 -7.864 1.00 0.00 C ATOM 950 C CYS A 59 -6.091 -3.999 -7.997 1.00 0.00 C ATOM 951 O CYS A 59 -7.216 -3.543 -7.983 1.00 0.00 O ATOM 952 CB CYS A 59 -5.393 -6.061 -9.219 1.00 0.00 C ATOM 953 SG CYS A 59 -5.747 -7.835 -9.288 1.00 0.00 S ATOM 0 H CYS A 59 -7.866 -6.126 -8.086 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.058 -5.674 -7.124 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -5.912 -5.545 -10.027 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.327 -5.887 -9.363 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.677 -8.338 -8.091 1.00 0.00 H new ATOM 959 N ILE A 60 -5.049 -3.229 -8.131 1.00 0.00 N ATOM 960 CA ILE A 60 -5.221 -1.757 -8.268 1.00 0.00 C ATOM 961 C ILE A 60 -4.578 -1.298 -9.578 1.00 0.00 C ATOM 962 O ILE A 60 -3.449 -1.632 -9.875 1.00 0.00 O ATOM 963 CB ILE A 60 -4.546 -1.054 -7.089 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.201 -1.725 -6.801 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.441 -1.157 -5.851 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.467 -0.952 -5.703 1.00 0.00 C ATOM 0 H ILE A 60 -4.083 -3.556 -8.152 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.282 -1.508 -8.275 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.386 -0.004 -7.335 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.358 -2.758 -6.490 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.596 -1.753 -7.707 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.960 -0.656 -5.011 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.401 -0.682 -6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.601 -2.207 -5.604 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.509 -1.431 -5.499 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.297 0.073 -6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.071 -0.947 -4.796 1.00 0.00 H new ATOM 978 N LEU A 61 -5.285 -0.534 -10.365 1.00 0.00 N ATOM 979 CA LEU A 61 -4.708 -0.063 -11.655 1.00 0.00 C ATOM 980 C LEU A 61 -4.160 1.352 -11.475 1.00 0.00 C ATOM 981 O LEU A 61 -4.891 2.282 -11.188 1.00 0.00 O ATOM 982 CB LEU A 61 -5.794 -0.057 -12.732 1.00 0.00 C ATOM 983 CG LEU A 61 -5.187 0.385 -14.065 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.511 -0.811 -14.738 1.00 0.00 C ATOM 985 CD2 LEU A 61 -6.294 0.925 -14.975 1.00 0.00 C ATOM 0 H LEU A 61 -6.235 -0.216 -10.171 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.903 -0.732 -11.960 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -6.229 -1.051 -12.830 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.601 0.617 -12.446 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.449 1.167 -13.888 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.078 -0.497 -15.688 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.724 -1.196 -14.090 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.249 -1.593 -14.916 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.863 1.240 -15.925 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.032 0.143 -15.153 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.776 1.777 -14.495 1.00 0.00 H new ATOM 997 N LEU A 62 -2.876 1.522 -11.634 1.00 0.00 N ATOM 998 CA LEU A 62 -2.280 2.877 -11.465 1.00 0.00 C ATOM 999 C LEU A 62 -1.449 3.233 -12.696 1.00 0.00 C ATOM 1000 O LEU A 62 -0.692 4.182 -12.690 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.388 2.885 -10.221 1.00 0.00 C ATOM 1002 CG LEU A 62 -2.040 2.046 -9.122 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -1.231 0.767 -8.904 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -2.077 2.853 -7.822 1.00 0.00 C ATOM 0 H LEU A 62 -2.215 0.783 -11.873 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.076 3.612 -11.348 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.404 2.485 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.239 3.907 -9.873 1.00 0.00 H new ATOM 0 HG LEU A 62 -3.056 1.785 -9.420 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.698 0.170 -8.120 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.203 0.192 -9.830 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.215 1.026 -8.607 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.542 2.257 -7.037 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.061 3.114 -7.527 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.655 3.764 -7.976 1.00 0.00 H new ATOM 1016 N ASP A 63 -1.579 2.480 -13.753 1.00 0.00 N ATOM 1017 CA ASP A 63 -0.783 2.787 -14.971 1.00 0.00 C ATOM 1018 C ASP A 63 0.694 2.805 -14.587 1.00 0.00 C ATOM 1019 O ASP A 63 1.456 3.633 -15.042 1.00 0.00 O ATOM 1020 CB ASP A 63 -1.190 4.157 -15.519 1.00 0.00 C ATOM 1021 CG ASP A 63 -1.865 3.983 -16.880 1.00 0.00 C ATOM 1022 OD1 ASP A 63 -1.197 3.533 -17.797 1.00 0.00 O ATOM 1023 OD2 ASP A 63 -3.038 4.301 -16.982 1.00 0.00 O ATOM 0 H ASP A 63 -2.197 1.672 -13.825 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.962 2.033 -15.738 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.870 4.651 -14.825 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.313 4.797 -15.616 1.00 0.00 H new ATOM 1028 N TYR A 64 1.099 1.899 -13.739 1.00 0.00 N ATOM 1029 CA TYR A 64 2.523 1.868 -13.309 1.00 0.00 C ATOM 1030 C TYR A 64 2.842 3.152 -12.539 1.00 0.00 C ATOM 1031 O TYR A 64 3.954 3.641 -12.563 1.00 0.00 O ATOM 1032 CB TYR A 64 3.430 1.773 -14.538 1.00 0.00 C ATOM 1033 CG TYR A 64 4.835 1.439 -14.100 1.00 0.00 C ATOM 1034 CD1 TYR A 64 5.069 0.318 -13.294 1.00 0.00 C ATOM 1035 CD2 TYR A 64 5.905 2.251 -14.498 1.00 0.00 C ATOM 1036 CE1 TYR A 64 6.373 0.008 -12.885 1.00 0.00 C ATOM 1037 CE2 TYR A 64 7.209 1.941 -14.091 1.00 0.00 C ATOM 1038 CZ TYR A 64 7.443 0.820 -13.284 1.00 0.00 C ATOM 1039 OH TYR A 64 8.727 0.515 -12.881 1.00 0.00 O ATOM 0 H TYR A 64 0.505 1.180 -13.326 1.00 0.00 H new ATOM 0 HA TYR A 64 2.692 1.002 -12.669 1.00 0.00 H new ATOM 0 HB2 TYR A 64 3.058 1.008 -15.220 1.00 0.00 H new ATOM 0 HB3 TYR A 64 3.422 2.717 -15.083 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.244 -0.308 -12.987 1.00 0.00 H new ATOM 0 HD2 TYR A 64 5.724 3.116 -15.119 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.553 -0.856 -12.263 1.00 0.00 H new ATOM 0 HE2 TYR A 64 8.034 2.566 -14.399 1.00 0.00 H new ATOM 0 HH TYR A 64 9.350 1.178 -13.245 1.00 0.00 H new ATOM 1049 N LEU A 65 1.873 3.704 -11.858 1.00 0.00 N ATOM 1050 CA LEU A 65 2.125 4.956 -11.091 1.00 0.00 C ATOM 1051 C LEU A 65 2.871 4.621 -9.798 1.00 0.00 C ATOM 1052 O LEU A 65 4.072 4.778 -9.704 1.00 0.00 O ATOM 1053 CB LEU A 65 0.791 5.626 -10.755 1.00 0.00 C ATOM 1054 CG LEU A 65 0.513 6.748 -11.758 1.00 0.00 C ATOM 1055 CD1 LEU A 65 -0.959 7.156 -11.671 1.00 0.00 C ATOM 1056 CD2 LEU A 65 1.395 7.955 -11.432 1.00 0.00 C ATOM 0 H LEU A 65 0.921 3.342 -11.800 1.00 0.00 H new ATOM 0 HA LEU A 65 2.730 5.635 -11.692 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.014 4.891 -10.783 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.820 6.028 -9.742 1.00 0.00 H new ATOM 0 HG LEU A 65 0.735 6.397 -12.766 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.158 7.955 -12.385 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.589 6.297 -11.903 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.180 7.507 -10.663 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.197 8.754 -12.146 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.173 8.306 -10.424 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.444 7.666 -11.493 1.00 0.00 H new ATOM 1068 N ASN A 66 2.168 4.161 -8.799 1.00 0.00 N ATOM 1069 CA ASN A 66 2.836 3.816 -7.513 1.00 0.00 C ATOM 1070 C ASN A 66 3.605 5.035 -6.997 1.00 0.00 C ATOM 1071 O ASN A 66 4.690 4.916 -6.464 1.00 0.00 O ATOM 1072 CB ASN A 66 3.808 2.657 -7.739 1.00 0.00 C ATOM 1073 CG ASN A 66 3.108 1.334 -7.419 1.00 0.00 C ATOM 1074 OD1 ASN A 66 2.290 0.865 -8.186 1.00 0.00 O ATOM 1075 ND2 ASN A 66 3.398 0.708 -6.312 1.00 0.00 N ATOM 0 H ASN A 66 1.160 4.009 -8.818 1.00 0.00 H new ATOM 0 HA ASN A 66 2.085 3.522 -6.779 1.00 0.00 H new ATOM 0 HB2 ASN A 66 4.156 2.656 -8.772 1.00 0.00 H new ATOM 0 HB3 ASN A 66 4.688 2.778 -7.107 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.938 -0.175 -6.090 1.00 0.00 H new ATOM 0 HD22 ASN A 66 4.084 1.102 -5.668 1.00 0.00 H new ATOM 1082 N TYR A 67 3.052 6.205 -7.154 1.00 0.00 N ATOM 1083 CA TYR A 67 3.751 7.431 -6.675 1.00 0.00 C ATOM 1084 C TYR A 67 2.806 8.628 -6.783 1.00 0.00 C ATOM 1085 O TYR A 67 2.668 9.408 -5.861 1.00 0.00 O ATOM 1086 CB TYR A 67 4.991 7.680 -7.534 1.00 0.00 C ATOM 1087 CG TYR A 67 6.232 7.491 -6.695 1.00 0.00 C ATOM 1088 CD1 TYR A 67 6.302 8.049 -5.411 1.00 0.00 C ATOM 1089 CD2 TYR A 67 7.316 6.759 -7.200 1.00 0.00 C ATOM 1090 CE1 TYR A 67 7.455 7.873 -4.632 1.00 0.00 C ATOM 1091 CE2 TYR A 67 8.467 6.585 -6.422 1.00 0.00 C ATOM 1092 CZ TYR A 67 8.537 7.142 -5.139 1.00 0.00 C ATOM 1093 OH TYR A 67 9.672 6.969 -4.373 1.00 0.00 O ATOM 0 H TYR A 67 2.146 6.366 -7.593 1.00 0.00 H new ATOM 0 HA TYR A 67 4.052 7.297 -5.636 1.00 0.00 H new ATOM 0 HB2 TYR A 67 5.004 6.994 -8.381 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.966 8.690 -7.943 1.00 0.00 H new ATOM 0 HD1 TYR A 67 5.468 8.614 -5.022 1.00 0.00 H new ATOM 0 HD2 TYR A 67 7.263 6.329 -8.189 1.00 0.00 H new ATOM 0 HE1 TYR A 67 7.509 8.301 -3.642 1.00 0.00 H new ATOM 0 HE2 TYR A 67 9.301 6.021 -6.812 1.00 0.00 H new ATOM 0 HH TYR A 67 10.326 6.437 -4.873 1.00 0.00 H new ATOM 1103 N ARG A 68 2.152 8.780 -7.902 1.00 0.00 N ATOM 1104 CA ARG A 68 1.215 9.926 -8.069 1.00 0.00 C ATOM 1105 C ARG A 68 -0.214 9.396 -8.205 1.00 0.00 C ATOM 1106 O ARG A 68 -0.433 8.217 -8.398 1.00 0.00 O ATOM 1107 CB ARG A 68 1.587 10.715 -9.327 1.00 0.00 C ATOM 1108 CG ARG A 68 2.955 11.375 -9.135 1.00 0.00 C ATOM 1109 CD ARG A 68 2.803 12.624 -8.262 1.00 0.00 C ATOM 1110 NE ARG A 68 3.437 12.384 -6.935 1.00 0.00 N ATOM 1111 CZ ARG A 68 4.431 13.135 -6.540 1.00 0.00 C ATOM 1112 NH1 ARG A 68 4.194 14.240 -5.888 1.00 0.00 N ATOM 1113 NH2 ARG A 68 5.660 12.779 -6.796 1.00 0.00 N ATOM 0 H ARG A 68 2.226 8.159 -8.708 1.00 0.00 H new ATOM 0 HA ARG A 68 1.282 10.580 -7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.611 10.051 -10.191 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.831 11.474 -9.529 1.00 0.00 H new ATOM 0 HG2 ARG A 68 3.646 10.674 -8.667 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.380 11.644 -10.102 1.00 0.00 H new ATOM 0 HD2 ARG A 68 3.269 13.480 -8.750 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.748 12.865 -8.134 1.00 0.00 H new ATOM 0 HE ARG A 68 3.095 11.633 -6.335 1.00 0.00 H new ATOM 0 HH11 ARG A 68 3.233 14.517 -5.687 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.969 14.826 -5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 68 5.845 11.914 -7.305 1.00 0.00 H new ATOM 0 HH22 ARG A 68 6.436 13.365 -6.488 1.00 0.00 H new ATOM 1127 N GLN A 69 -1.188 10.258 -8.106 1.00 0.00 N ATOM 1128 CA GLN A 69 -2.601 9.801 -8.228 1.00 0.00 C ATOM 1129 C GLN A 69 -3.162 10.233 -9.585 1.00 0.00 C ATOM 1130 O GLN A 69 -2.526 10.954 -10.329 1.00 0.00 O ATOM 1131 CB GLN A 69 -3.436 10.424 -7.106 1.00 0.00 C ATOM 1132 CG GLN A 69 -2.883 9.977 -5.751 1.00 0.00 C ATOM 1133 CD GLN A 69 -4.041 9.716 -4.788 1.00 0.00 C ATOM 1134 OE1 GLN A 69 -5.184 9.659 -5.195 1.00 0.00 O ATOM 1135 NE2 GLN A 69 -3.793 9.553 -3.516 1.00 0.00 N ATOM 0 H GLN A 69 -1.067 11.258 -7.946 1.00 0.00 H new ATOM 0 HA GLN A 69 -2.641 8.715 -8.150 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -3.411 11.511 -7.180 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -4.479 10.122 -7.203 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -2.285 9.074 -5.871 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -2.224 10.744 -5.344 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -2.833 9.601 -3.173 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -4.559 9.378 -2.865 1.00 0.00 H new ATOM 1144 N ASP A 70 -4.347 9.798 -9.916 1.00 0.00 N ATOM 1145 CA ASP A 70 -4.945 10.184 -11.225 1.00 0.00 C ATOM 1146 C ASP A 70 -5.980 11.291 -11.010 1.00 0.00 C ATOM 1147 O ASP A 70 -6.456 11.503 -9.913 1.00 0.00 O ATOM 1148 CB ASP A 70 -5.628 8.968 -11.856 1.00 0.00 C ATOM 1149 CG ASP A 70 -4.572 7.942 -12.268 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -3.631 8.328 -12.941 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -4.724 6.787 -11.905 1.00 0.00 O ATOM 0 H ASP A 70 -4.927 9.192 -9.336 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.158 10.544 -11.887 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -6.326 8.522 -11.147 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.209 9.275 -12.725 1.00 0.00 H new ATOM 1156 N THR A 71 -6.332 11.995 -12.051 1.00 0.00 N ATOM 1157 CA THR A 71 -7.337 13.086 -11.909 1.00 0.00 C ATOM 1158 C THR A 71 -7.901 13.438 -13.286 1.00 0.00 C ATOM 1159 O THR A 71 -7.367 13.051 -14.305 1.00 0.00 O ATOM 1160 CB THR A 71 -6.671 14.323 -11.302 1.00 0.00 C ATOM 1161 OG1 THR A 71 -7.596 15.402 -11.304 1.00 0.00 O ATOM 1162 CG2 THR A 71 -5.442 14.701 -12.129 1.00 0.00 C ATOM 0 H THR A 71 -5.967 11.862 -12.994 1.00 0.00 H new ATOM 0 HA THR A 71 -8.144 12.752 -11.256 1.00 0.00 H new ATOM 0 HB THR A 71 -6.364 14.107 -10.279 1.00 0.00 H new ATOM 0 HG1 THR A 71 -7.174 16.196 -10.914 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.969 15.582 -11.696 1.00 0.00 H new ATOM 0 HG22 THR A 71 -4.734 13.872 -12.129 1.00 0.00 H new ATOM 0 HG23 THR A 71 -5.745 14.919 -13.153 1.00 0.00 H new ATOM 1170 N LEU A 72 -8.979 14.172 -13.323 1.00 0.00 N ATOM 1171 CA LEU A 72 -9.577 14.550 -14.632 1.00 0.00 C ATOM 1172 C LEU A 72 -10.219 13.318 -15.274 1.00 0.00 C ATOM 1173 O LEU A 72 -10.074 13.076 -16.456 1.00 0.00 O ATOM 1174 CB LEU A 72 -8.487 15.100 -15.553 1.00 0.00 C ATOM 1175 CG LEU A 72 -8.990 16.374 -16.232 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -8.077 17.546 -15.866 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -8.981 16.177 -17.750 1.00 0.00 C ATOM 0 H LEU A 72 -9.471 14.526 -12.502 1.00 0.00 H new ATOM 0 HA LEU A 72 -10.338 15.315 -14.477 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.584 15.312 -14.980 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.220 14.356 -16.304 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.005 16.588 -15.896 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.437 18.453 -16.351 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -8.081 17.686 -14.785 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.061 17.334 -16.201 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.339 17.084 -18.237 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -7.965 15.963 -18.083 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -9.632 15.343 -18.013 1.00 0.00 H new ATOM 1189 N ASP A 73 -10.930 12.541 -14.506 1.00 0.00 N ATOM 1190 CA ASP A 73 -11.584 11.327 -15.070 1.00 0.00 C ATOM 1191 C ASP A 73 -13.103 11.524 -15.074 1.00 0.00 C ATOM 1192 O ASP A 73 -13.850 10.675 -14.631 1.00 0.00 O ATOM 1193 CB ASP A 73 -11.227 10.111 -14.214 1.00 0.00 C ATOM 1194 CG ASP A 73 -9.985 9.429 -14.788 1.00 0.00 C ATOM 1195 OD1 ASP A 73 -8.901 9.955 -14.594 1.00 0.00 O ATOM 1196 OD2 ASP A 73 -10.136 8.392 -15.413 1.00 0.00 O ATOM 0 H ASP A 73 -11.087 12.694 -13.510 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.236 11.165 -16.090 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.043 10.419 -13.185 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.062 9.411 -14.192 1.00 0.00 H new ATOM 1201 N ARG A 74 -13.561 12.640 -15.571 1.00 0.00 N ATOM 1202 CA ARG A 74 -15.028 12.898 -15.604 1.00 0.00 C ATOM 1203 C ARG A 74 -15.717 11.839 -16.468 1.00 0.00 C ATOM 1204 O ARG A 74 -16.619 11.154 -16.026 1.00 0.00 O ATOM 1205 CB ARG A 74 -15.286 14.285 -16.195 1.00 0.00 C ATOM 1206 CG ARG A 74 -16.092 15.123 -15.202 1.00 0.00 C ATOM 1207 CD ARG A 74 -17.449 15.474 -15.812 1.00 0.00 C ATOM 1208 NE ARG A 74 -17.450 16.901 -16.240 1.00 0.00 N ATOM 1209 CZ ARG A 74 -18.273 17.302 -17.169 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -19.424 16.707 -17.322 1.00 0.00 N ATOM 1211 NH2 ARG A 74 -17.946 18.298 -17.945 1.00 0.00 N ATOM 0 H ARG A 74 -12.981 13.386 -15.956 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.427 12.852 -14.591 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -14.340 14.778 -16.419 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -15.829 14.195 -17.136 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -16.231 14.570 -14.273 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -15.547 16.034 -14.953 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -17.654 14.828 -16.665 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -18.242 15.301 -15.084 1.00 0.00 H new ATOM 0 HE ARG A 74 -16.807 17.564 -15.807 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -19.680 15.928 -16.715 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.068 17.021 -18.048 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -17.046 18.764 -17.825 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -18.590 18.611 -18.671 1.00 0.00 H new ATOM 1225 N LEU A 75 -15.304 11.702 -17.699 1.00 0.00 N ATOM 1226 CA LEU A 75 -15.942 10.690 -18.589 1.00 0.00 C ATOM 1227 C LEU A 75 -15.450 9.290 -18.211 1.00 0.00 C ATOM 1228 O LEU A 75 -16.199 8.333 -18.227 1.00 0.00 O ATOM 1229 CB LEU A 75 -15.570 10.986 -20.044 1.00 0.00 C ATOM 1230 CG LEU A 75 -15.940 12.431 -20.382 1.00 0.00 C ATOM 1231 CD1 LEU A 75 -15.259 12.843 -21.689 1.00 0.00 C ATOM 1232 CD2 LEU A 75 -17.457 12.544 -20.541 1.00 0.00 C ATOM 0 H LEU A 75 -14.554 12.246 -18.126 1.00 0.00 H new ATOM 0 HA LEU A 75 -17.025 10.736 -18.472 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.502 10.828 -20.197 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.093 10.300 -20.711 1.00 0.00 H new ATOM 0 HG LEU A 75 -15.607 13.087 -19.578 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -15.524 13.873 -21.928 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -14.178 12.763 -21.577 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.590 12.187 -22.494 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -17.722 13.574 -20.782 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -17.789 11.886 -21.345 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.943 12.253 -19.610 1.00 0.00 H new ATOM 1244 N LYS A 76 -14.197 9.161 -17.871 1.00 0.00 N ATOM 1245 CA LYS A 76 -13.658 7.824 -17.491 1.00 0.00 C ATOM 1246 C LYS A 76 -14.468 7.255 -16.328 1.00 0.00 C ATOM 1247 O LYS A 76 -14.556 6.059 -16.154 1.00 0.00 O ATOM 1248 CB LYS A 76 -12.192 7.963 -17.076 1.00 0.00 C ATOM 1249 CG LYS A 76 -11.401 8.615 -18.211 1.00 0.00 C ATOM 1250 CD LYS A 76 -10.900 7.534 -19.172 1.00 0.00 C ATOM 1251 CE LYS A 76 -10.571 8.166 -20.526 1.00 0.00 C ATOM 1252 NZ LYS A 76 -9.421 7.446 -21.142 1.00 0.00 N ATOM 0 H LYS A 76 -13.522 9.925 -17.840 1.00 0.00 H new ATOM 0 HA LYS A 76 -13.731 7.149 -18.344 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.115 8.566 -16.171 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -11.774 6.984 -16.843 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -12.030 9.327 -18.745 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.558 9.175 -17.806 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -10.015 7.049 -18.761 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -11.659 6.761 -19.294 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.439 8.117 -21.183 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.327 9.221 -20.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.196 7.874 -22.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.593 7.515 -20.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.670 6.445 -21.277 1.00 0.00 H new ATOM 1266 N GLU A 77 -15.059 8.099 -15.529 1.00 0.00 N ATOM 1267 CA GLU A 77 -15.861 7.589 -14.383 1.00 0.00 C ATOM 1268 C GLU A 77 -16.987 6.698 -14.913 1.00 0.00 C ATOM 1269 O GLU A 77 -17.329 5.693 -14.320 1.00 0.00 O ATOM 1270 CB GLU A 77 -16.461 8.769 -13.615 1.00 0.00 C ATOM 1271 CG GLU A 77 -16.305 8.532 -12.112 1.00 0.00 C ATOM 1272 CD GLU A 77 -15.113 9.335 -11.588 1.00 0.00 C ATOM 1273 OE1 GLU A 77 -14.180 9.536 -12.348 1.00 0.00 O ATOM 1274 OE2 GLU A 77 -15.152 9.733 -10.436 1.00 0.00 O ATOM 0 H GLU A 77 -15.022 9.114 -15.619 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.221 7.012 -13.716 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -15.962 9.695 -13.902 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.515 8.883 -13.868 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -17.215 8.829 -11.590 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -16.157 7.470 -11.914 1.00 0.00 H new ATOM 1281 N ARG A 78 -17.566 7.060 -16.026 1.00 0.00 N ATOM 1282 CA ARG A 78 -18.673 6.240 -16.600 1.00 0.00 C ATOM 1283 C ARG A 78 -18.101 4.999 -17.294 1.00 0.00 C ATOM 1284 O ARG A 78 -18.734 3.964 -17.351 1.00 0.00 O ATOM 1285 CB ARG A 78 -19.449 7.078 -17.618 1.00 0.00 C ATOM 1286 CG ARG A 78 -20.761 7.554 -16.994 1.00 0.00 C ATOM 1287 CD ARG A 78 -21.867 6.542 -17.299 1.00 0.00 C ATOM 1288 NE ARG A 78 -23.179 7.246 -17.378 1.00 0.00 N ATOM 1289 CZ ARG A 78 -24.216 6.636 -17.882 1.00 0.00 C ATOM 1290 NH1 ARG A 78 -24.253 5.331 -17.915 1.00 0.00 N ATOM 1291 NH2 ARG A 78 -25.216 7.329 -18.353 1.00 0.00 N ATOM 0 H ARG A 78 -17.320 7.891 -16.564 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.339 5.925 -15.796 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -18.851 7.934 -17.931 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -19.652 6.487 -18.511 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -20.644 7.667 -15.916 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.030 8.533 -17.390 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -21.659 6.033 -18.240 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -21.899 5.777 -16.523 1.00 0.00 H new ATOM 0 HE ARG A 78 -23.266 8.204 -17.038 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -23.471 4.789 -17.547 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -25.064 4.854 -18.309 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -25.187 8.348 -18.327 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -26.027 6.852 -18.747 1.00 0.00 H new ATOM 1305 N LEU A 79 -16.912 5.094 -17.826 1.00 0.00 N ATOM 1306 CA LEU A 79 -16.310 3.918 -18.520 1.00 0.00 C ATOM 1307 C LEU A 79 -15.896 2.864 -17.490 1.00 0.00 C ATOM 1308 O LEU A 79 -15.893 1.679 -17.768 1.00 0.00 O ATOM 1309 CB LEU A 79 -15.078 4.366 -19.310 1.00 0.00 C ATOM 1310 CG LEU A 79 -15.290 4.075 -20.795 1.00 0.00 C ATOM 1311 CD1 LEU A 79 -15.796 5.336 -21.496 1.00 0.00 C ATOM 1312 CD2 LEU A 79 -13.963 3.642 -21.424 1.00 0.00 C ATOM 0 H LEU A 79 -16.332 5.933 -17.810 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.045 3.489 -19.200 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.904 5.431 -19.159 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.192 3.844 -18.949 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.025 3.277 -20.907 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.947 5.128 -22.555 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -16.740 5.647 -21.049 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -15.062 6.134 -21.384 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.113 3.434 -22.483 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -13.229 4.440 -21.311 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -13.600 2.743 -20.926 1.00 0.00 H new ATOM 1324 N VAL A 80 -15.543 3.289 -16.307 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.124 2.317 -15.254 1.00 0.00 C ATOM 1326 C VAL A 80 -16.036 1.090 -15.293 1.00 0.00 C ATOM 1327 O VAL A 80 -17.107 1.117 -15.867 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.223 2.975 -13.878 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.602 2.052 -12.826 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.472 4.308 -13.893 1.00 0.00 C ATOM 0 H VAL A 80 -15.526 4.269 -16.023 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.094 2.012 -15.439 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.271 3.152 -13.635 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -14.672 2.520 -11.844 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.137 1.102 -12.814 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.554 1.875 -13.070 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.543 4.777 -12.911 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.424 4.133 -14.136 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -14.913 4.966 -14.642 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.619 0.013 -14.690 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.459 -1.216 -14.699 1.00 0.00 C ATOM 1342 C GLY A 81 -16.140 -2.037 -15.948 1.00 0.00 C ATOM 1343 O GLY A 81 -15.912 -3.228 -15.878 1.00 0.00 O ATOM 0 H GLY A 81 -14.733 -0.070 -14.191 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.269 -1.807 -13.803 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.516 -0.948 -14.686 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.122 -1.404 -17.093 1.00 0.00 N ATOM 1348 CA ARG A 82 -15.821 -2.140 -18.356 1.00 0.00 C ATOM 1349 C ARG A 82 -14.689 -3.143 -18.121 1.00 0.00 C ATOM 1350 O ARG A 82 -13.851 -2.961 -17.259 1.00 0.00 O ATOM 1351 CB ARG A 82 -15.396 -1.142 -19.434 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.170 -1.421 -20.724 1.00 0.00 C ATOM 1353 CD ARG A 82 -17.255 -0.358 -20.910 1.00 0.00 C ATOM 1354 NE ARG A 82 -18.322 -0.889 -21.803 1.00 0.00 N ATOM 1355 CZ ARG A 82 -19.563 -0.527 -21.624 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -19.997 0.592 -22.139 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -20.372 -1.283 -20.933 1.00 0.00 N ATOM 0 H ARG A 82 -16.303 -0.407 -17.207 1.00 0.00 H new ATOM 0 HA ARG A 82 -16.713 -2.676 -18.679 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -15.587 -0.123 -19.096 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -14.324 -1.222 -19.616 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.491 -1.415 -21.576 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.621 -2.412 -20.683 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -17.678 -0.082 -19.944 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -16.823 0.546 -21.339 1.00 0.00 H new ATOM 0 HE ARG A 82 -18.083 -1.536 -22.555 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -19.366 1.183 -22.681 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -20.967 0.875 -21.999 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -20.035 -2.158 -20.532 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -21.342 -0.999 -20.794 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.658 -4.201 -18.886 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.581 -5.217 -18.715 1.00 0.00 C ATOM 1373 C VAL A 83 -12.495 -4.978 -19.767 1.00 0.00 C ATOM 1374 O VAL A 83 -12.782 -4.710 -20.918 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.173 -6.618 -18.893 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -14.460 -6.874 -20.373 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -13.176 -7.658 -18.379 1.00 0.00 C ATOM 0 H VAL A 83 -15.333 -4.405 -19.623 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.147 -5.133 -17.719 1.00 0.00 H new ATOM 0 HB VAL A 83 -15.103 -6.692 -18.329 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -14.881 -7.872 -20.495 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -15.171 -6.133 -20.739 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -13.533 -6.800 -20.942 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -13.595 -8.657 -18.504 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -12.246 -7.581 -18.943 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -12.975 -7.479 -17.323 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.250 -5.062 -19.385 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.155 -4.830 -20.370 1.00 0.00 C ATOM 1389 C ILE A 84 -8.965 -5.741 -20.055 1.00 0.00 C ATOM 1390 O ILE A 84 -8.919 -6.387 -19.028 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.701 -3.367 -20.297 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -8.897 -3.141 -19.011 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -10.921 -2.444 -20.309 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.773 -3.433 -17.791 1.00 0.00 C ATOM 0 H ILE A 84 -10.944 -5.280 -18.437 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.526 -5.053 -21.370 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.074 -3.143 -21.160 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.019 -3.787 -19.002 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.537 -2.113 -18.973 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.592 -1.406 -20.257 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.486 -2.600 -21.228 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.555 -2.667 -19.451 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.195 -3.270 -16.881 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.637 -2.768 -17.796 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.112 -4.469 -17.826 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.000 -5.787 -20.931 1.00 0.00 N ATOM 1407 CA LYS A 85 -6.806 -6.645 -20.686 1.00 0.00 C ATOM 1408 C LYS A 85 -5.648 -5.765 -20.208 1.00 0.00 C ATOM 1409 O LYS A 85 -5.228 -4.854 -20.891 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.408 -7.351 -21.984 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.013 -8.798 -21.681 1.00 0.00 C ATOM 1412 CD LYS A 85 -6.840 -9.743 -22.552 1.00 0.00 C ATOM 1413 CE LYS A 85 -5.931 -10.829 -23.131 1.00 0.00 C ATOM 1414 NZ LYS A 85 -6.468 -12.171 -22.768 1.00 0.00 N ATOM 0 H LYS A 85 -7.986 -5.266 -21.808 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.039 -7.392 -19.927 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.238 -7.330 -22.690 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.576 -6.827 -22.454 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -4.950 -8.944 -21.874 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.179 -9.019 -20.627 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.636 -10.197 -21.961 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -7.319 -9.187 -23.358 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.873 -10.730 -24.215 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.918 -10.714 -22.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -5.851 -12.910 -23.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -6.502 -12.263 -21.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -7.427 -12.278 -23.157 1.00 0.00 H new ATOM 1428 N THR A 86 -5.135 -6.027 -19.038 1.00 0.00 N ATOM 1429 CA THR A 86 -4.011 -5.200 -18.517 1.00 0.00 C ATOM 1430 C THR A 86 -2.863 -6.111 -18.083 1.00 0.00 C ATOM 1431 O THR A 86 -2.969 -7.322 -18.122 1.00 0.00 O ATOM 1432 CB THR A 86 -4.495 -4.378 -17.321 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.548 -5.072 -16.667 1.00 0.00 O ATOM 1434 CG2 THR A 86 -4.999 -3.019 -17.807 1.00 0.00 C ATOM 0 H THR A 86 -5.445 -6.777 -18.421 1.00 0.00 H new ATOM 0 HA THR A 86 -3.661 -4.528 -19.301 1.00 0.00 H new ATOM 0 HB THR A 86 -3.671 -4.229 -16.623 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.858 -4.548 -15.899 1.00 0.00 H new ATOM 0 HG21 THR A 86 -5.344 -2.433 -16.955 1.00 0.00 H new ATOM 0 HG22 THR A 86 -4.189 -2.489 -18.308 1.00 0.00 H new ATOM 0 HG23 THR A 86 -5.824 -3.165 -18.505 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.761 -5.540 -17.672 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.608 -6.378 -17.240 1.00 0.00 C ATOM 1444 C ARG A 87 -0.610 -6.498 -15.716 1.00 0.00 C ATOM 1445 O ARG A 87 -1.138 -5.653 -15.015 1.00 0.00 O ATOM 1446 CB ARG A 87 0.697 -5.726 -17.702 1.00 0.00 C ATOM 1447 CG ARG A 87 1.016 -6.171 -19.132 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.242 -6.058 -19.999 1.00 0.00 C ATOM 1449 NE ARG A 87 0.149 -5.989 -21.435 1.00 0.00 N ATOM 1450 CZ ARG A 87 -0.771 -5.948 -22.360 1.00 0.00 C ATOM 1451 NH1 ARG A 87 -1.875 -6.630 -22.214 1.00 0.00 N ATOM 1452 NH2 ARG A 87 -0.587 -5.225 -23.431 1.00 0.00 N ATOM 0 H ARG A 87 -1.611 -4.532 -17.618 1.00 0.00 H new ATOM 0 HA ARG A 87 -0.692 -7.371 -17.682 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.608 -4.640 -17.660 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.511 -6.005 -17.033 1.00 0.00 H new ATOM 0 HG2 ARG A 87 1.812 -5.553 -19.547 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.378 -7.199 -19.131 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.892 -6.916 -19.829 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -0.809 -5.169 -19.722 1.00 0.00 H new ATOM 0 HE ARG A 87 1.135 -5.974 -21.695 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -2.019 -7.195 -21.377 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -2.594 -6.598 -22.937 1.00 0.00 H new ATOM 0 HH21 ARG A 87 0.275 -4.692 -23.545 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -1.306 -5.193 -24.154 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.028 -7.543 -15.195 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.006 -7.725 -13.718 1.00 0.00 C ATOM 1468 C VAL A 88 1.324 -7.227 -13.159 1.00 0.00 C ATOM 1469 O VAL A 88 2.383 -7.694 -13.529 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.174 -9.208 -13.385 1.00 0.00 C ATOM 1471 CG1 VAL A 88 -0.600 -9.358 -11.923 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.246 -9.815 -14.293 1.00 0.00 C ATOM 0 H VAL A 88 0.433 -8.279 -15.730 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.822 -7.156 -13.272 1.00 0.00 H new ATOM 0 HB VAL A 88 0.772 -9.725 -13.542 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.720 -10.415 -11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.162 -8.925 -11.276 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.547 -8.841 -11.765 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.367 -10.872 -14.057 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.192 -9.297 -14.135 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.943 -9.708 -15.335 1.00 0.00 H new ATOM 1482 N VAL A 89 1.273 -6.276 -12.269 1.00 0.00 N ATOM 1483 CA VAL A 89 2.528 -5.739 -11.681 1.00 0.00 C ATOM 1484 C VAL A 89 3.064 -6.721 -10.638 1.00 0.00 C ATOM 1485 O VAL A 89 4.253 -6.943 -10.532 1.00 0.00 O ATOM 1486 CB VAL A 89 2.241 -4.394 -11.012 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.426 -3.994 -10.130 1.00 0.00 C ATOM 1488 CG2 VAL A 89 2.024 -3.326 -12.086 1.00 0.00 C ATOM 0 H VAL A 89 0.414 -5.848 -11.924 1.00 0.00 H new ATOM 0 HA VAL A 89 3.270 -5.604 -12.468 1.00 0.00 H new ATOM 0 HB VAL A 89 1.345 -4.481 -10.397 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.219 -3.035 -9.655 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.581 -4.753 -9.363 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.323 -3.908 -10.743 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.819 -2.367 -11.610 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.920 -3.242 -12.701 1.00 0.00 H new ATOM 0 HG23 VAL A 89 1.178 -3.607 -12.713 1.00 0.00 H new ATOM 1498 N ARG A 90 2.195 -7.313 -9.863 1.00 0.00 N ATOM 1499 CA ARG A 90 2.659 -8.275 -8.829 1.00 0.00 C ATOM 1500 C ARG A 90 1.458 -8.799 -8.039 1.00 0.00 C ATOM 1501 O ARG A 90 0.916 -8.122 -7.188 1.00 0.00 O ATOM 1502 CB ARG A 90 3.630 -7.571 -7.877 1.00 0.00 C ATOM 1503 CG ARG A 90 5.044 -8.110 -8.103 1.00 0.00 C ATOM 1504 CD ARG A 90 6.058 -6.981 -7.910 1.00 0.00 C ATOM 1505 NE ARG A 90 6.610 -7.041 -6.527 1.00 0.00 N ATOM 1506 CZ ARG A 90 7.180 -5.989 -6.007 1.00 0.00 C ATOM 1507 NH1 ARG A 90 7.552 -5.001 -6.774 1.00 0.00 N ATOM 1508 NH2 ARG A 90 7.377 -5.924 -4.719 1.00 0.00 N ATOM 0 H ARG A 90 1.186 -7.171 -9.903 1.00 0.00 H new ATOM 0 HA ARG A 90 3.165 -9.111 -9.313 1.00 0.00 H new ATOM 0 HB2 ARG A 90 3.608 -6.495 -8.048 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.327 -7.736 -6.843 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.251 -8.922 -7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.131 -8.523 -9.108 1.00 0.00 H new ATOM 0 HD2 ARG A 90 6.863 -7.072 -8.639 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.581 -6.016 -8.081 1.00 0.00 H new ATOM 0 HE ARG A 90 6.542 -7.904 -5.987 1.00 0.00 H new ATOM 0 HH11 ARG A 90 7.397 -5.051 -7.781 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.998 -4.179 -6.367 1.00 0.00 H new ATOM 0 HH21 ARG A 90 7.085 -6.696 -4.119 1.00 0.00 H new ATOM 0 HH22 ARG A 90 7.823 -5.102 -4.312 1.00 0.00 H new ATOM 1522 N ALA A 91 1.044 -10.004 -8.318 1.00 0.00 N ATOM 1523 CA ALA A 91 -0.118 -10.589 -7.589 1.00 0.00 C ATOM 1524 C ALA A 91 0.394 -11.563 -6.527 1.00 0.00 C ATOM 1525 O ALA A 91 1.197 -12.432 -6.804 1.00 0.00 O ATOM 1526 CB ALA A 91 -1.013 -11.339 -8.577 1.00 0.00 C ATOM 0 H ALA A 91 1.462 -10.612 -9.022 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.691 -9.793 -7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.863 -11.767 -8.045 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -1.373 -10.648 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -0.442 -12.137 -9.051 1.00 0.00 H new ATOM 1532 N ASP A 92 -0.062 -11.430 -5.311 1.00 0.00 N ATOM 1533 CA ASP A 92 0.405 -12.352 -4.239 1.00 0.00 C ATOM 1534 C ASP A 92 -0.800 -12.897 -3.474 1.00 0.00 C ATOM 1535 O ASP A 92 -0.846 -14.056 -3.112 1.00 0.00 O ATOM 1536 CB ASP A 92 1.322 -11.593 -3.277 1.00 0.00 C ATOM 1537 CG ASP A 92 1.720 -12.511 -2.118 1.00 0.00 C ATOM 1538 OD1 ASP A 92 1.796 -13.708 -2.338 1.00 0.00 O ATOM 1539 OD2 ASP A 92 1.940 -12.000 -1.033 1.00 0.00 O ATOM 0 H ASP A 92 -0.736 -10.724 -5.015 1.00 0.00 H new ATOM 0 HA ASP A 92 0.955 -13.180 -4.686 1.00 0.00 H new ATOM 0 HB2 ASP A 92 2.212 -11.247 -3.803 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.813 -10.708 -2.895 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.776 -12.071 -3.222 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.978 -12.542 -2.478 1.00 0.00 C ATOM 1546 C GLY A 93 -4.195 -11.712 -2.889 1.00 0.00 C ATOM 1547 O GLY A 93 -4.502 -11.577 -4.056 1.00 0.00 O ATOM 0 H GLY A 93 -1.794 -11.089 -3.499 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -3.157 -13.597 -2.687 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.811 -12.454 -1.404 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.895 -11.159 -1.936 1.00 0.00 N ATOM 1552 CA LEU A 94 -6.096 -10.342 -2.270 1.00 0.00 C ATOM 1553 C LEU A 94 -5.662 -8.962 -2.769 1.00 0.00 C ATOM 1554 O LEU A 94 -6.424 -8.249 -3.390 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.964 -10.179 -1.021 1.00 0.00 C ATOM 1556 CG LEU A 94 -8.148 -11.144 -1.095 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -7.899 -12.331 -0.164 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -9.424 -10.418 -0.663 1.00 0.00 C ATOM 0 H LEU A 94 -4.687 -11.238 -0.941 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.666 -10.845 -3.051 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.374 -10.378 -0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.322 -9.152 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 94 -8.260 -11.502 -2.118 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.743 -13.018 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.990 -12.849 -0.470 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.786 -11.973 0.859 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.269 -11.105 -0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.310 -10.060 0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.603 -9.571 -1.326 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.446 -8.578 -2.504 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.977 -7.244 -2.970 1.00 0.00 C ATOM 1572 C TYR A 95 -2.943 -7.432 -4.081 1.00 0.00 C ATOM 1573 O TYR A 95 -1.928 -8.073 -3.896 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.345 -6.484 -1.803 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.343 -5.498 -1.247 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.490 -5.959 -0.588 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -4.122 -4.121 -1.389 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.418 -5.044 -0.072 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -5.050 -3.206 -0.874 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.197 -3.667 -0.215 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.111 -2.766 0.292 1.00 0.00 O ATOM 0 H TYR A 95 -3.759 -9.127 -1.987 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.823 -6.673 -3.352 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -3.035 -7.182 -1.025 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -2.449 -5.961 -2.138 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.659 -7.020 -0.477 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -3.237 -3.765 -1.895 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -7.303 -5.400 0.435 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -4.881 -2.145 -0.985 1.00 0.00 H new ATOM 0 HH TYR A 95 -6.806 -1.853 0.109 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.198 -6.886 -5.238 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.234 -7.042 -6.363 1.00 0.00 C ATOM 1593 C VAL A 96 -1.988 -5.686 -7.024 1.00 0.00 C ATOM 1594 O VAL A 96 -2.808 -4.792 -6.954 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.821 -8.000 -7.399 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.875 -8.104 -8.597 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -3.003 -9.383 -6.767 1.00 0.00 C ATOM 0 H VAL A 96 -4.032 -6.339 -5.453 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.293 -7.437 -5.979 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.787 -7.624 -7.735 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -2.296 -8.788 -9.334 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.747 -7.119 -9.046 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.907 -8.479 -8.265 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.422 -10.068 -7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.037 -9.759 -6.430 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.680 -9.308 -5.916 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.872 -5.530 -7.680 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.585 -4.238 -8.361 1.00 0.00 C ATOM 1609 C ASP A 97 -0.941 -4.386 -9.842 1.00 0.00 C ATOM 1610 O ASP A 97 -0.880 -5.467 -10.392 1.00 0.00 O ATOM 1611 CB ASP A 97 0.898 -3.894 -8.207 1.00 0.00 C ATOM 1612 CG ASP A 97 1.121 -3.192 -6.866 1.00 0.00 C ATOM 1613 OD1 ASP A 97 1.324 -3.885 -5.883 1.00 0.00 O ATOM 1614 OD2 ASP A 97 1.083 -1.973 -6.846 1.00 0.00 O ATOM 0 H ASP A 97 -0.147 -6.241 -7.774 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.174 -3.436 -7.917 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.500 -4.801 -8.260 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.220 -3.250 -9.025 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.341 -3.326 -10.491 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.724 -3.453 -11.927 1.00 0.00 C ATOM 1621 C LEU A 98 -1.109 -2.331 -12.761 1.00 0.00 C ATOM 1622 O LEU A 98 -1.150 -1.167 -12.397 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.246 -3.382 -12.046 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.754 -4.570 -12.864 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.323 -4.403 -14.321 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.166 -5.867 -12.301 1.00 0.00 C ATOM 0 H LEU A 98 -1.419 -2.389 -10.096 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.353 -4.408 -12.300 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.699 -3.390 -11.055 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.540 -2.447 -12.523 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.842 -4.613 -12.809 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.684 -5.249 -14.906 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.742 -3.480 -14.721 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.235 -4.361 -14.376 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.528 -6.714 -12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.078 -5.827 -12.356 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.473 -5.984 -11.262 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.557 -2.678 -13.896 1.00 0.00 N ATOM 1639 CA ARG A 99 0.048 -1.648 -14.782 1.00 0.00 C ATOM 1640 C ARG A 99 -0.638 -1.697 -16.150 1.00 0.00 C ATOM 1641 O ARG A 99 -0.697 -2.727 -16.794 1.00 0.00 O ATOM 1642 CB ARG A 99 1.545 -1.921 -14.944 1.00 0.00 C ATOM 1643 CG ARG A 99 1.757 -3.326 -15.512 1.00 0.00 C ATOM 1644 CD ARG A 99 3.176 -3.799 -15.184 1.00 0.00 C ATOM 1645 NE ARG A 99 3.887 -4.160 -16.442 1.00 0.00 N ATOM 1646 CZ ARG A 99 5.175 -4.374 -16.423 1.00 0.00 C ATOM 1647 NH1 ARG A 99 6.005 -3.372 -16.509 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.632 -5.592 -16.318 1.00 0.00 N ATOM 0 H ARG A 99 -0.501 -3.635 -14.245 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.087 -0.661 -14.341 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.989 -1.180 -15.608 1.00 0.00 H new ATOM 0 HB3 ARG A 99 2.047 -1.828 -13.981 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.026 -4.015 -15.090 1.00 0.00 H new ATOM 0 HG3 ARG A 99 1.604 -3.321 -16.591 1.00 0.00 H new ATOM 0 HD2 ARG A 99 3.720 -3.013 -14.660 1.00 0.00 H new ATOM 0 HD3 ARG A 99 3.138 -4.660 -14.516 1.00 0.00 H new ATOM 0 HE ARG A 99 3.369 -4.240 -17.317 1.00 0.00 H new ATOM 0 HH11 ARG A 99 5.648 -2.420 -16.591 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.011 -3.540 -16.494 1.00 0.00 H new ATOM 0 HH21 ARG A 99 4.983 -6.376 -16.251 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.638 -5.760 -16.303 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.164 -0.588 -16.591 1.00 0.00 N ATOM 1663 CA ARG A 100 -1.854 -0.556 -17.910 1.00 0.00 C ATOM 1664 C ARG A 100 -0.859 -0.147 -18.999 1.00 0.00 C ATOM 1665 O ARG A 100 -0.152 0.833 -18.870 1.00 0.00 O ATOM 1666 CB ARG A 100 -2.997 0.461 -17.857 1.00 0.00 C ATOM 1667 CG ARG A 100 -3.720 0.491 -19.204 1.00 0.00 C ATOM 1668 CD ARG A 100 -5.218 0.275 -18.981 1.00 0.00 C ATOM 1669 NE ARG A 100 -5.774 -0.533 -20.103 1.00 0.00 N ATOM 1670 CZ ARG A 100 -7.031 -0.415 -20.430 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -7.907 -0.051 -19.534 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -7.412 -0.659 -21.654 1.00 0.00 N ATOM 0 H ARG A 100 -1.145 0.301 -16.092 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.253 -1.545 -18.137 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.696 0.197 -17.064 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -2.606 1.451 -17.621 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.549 1.446 -19.700 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -3.323 -0.284 -19.860 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -5.386 -0.235 -18.033 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -5.730 1.235 -18.921 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.172 -1.178 -20.615 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -7.609 0.141 -18.578 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -8.890 0.041 -19.790 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -6.727 -0.942 -22.355 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.395 -0.567 -21.910 1.00 0.00 H new ATOM 1686 N PHE A 101 -0.799 -0.889 -20.070 1.00 0.00 N ATOM 1687 CA PHE A 101 0.149 -0.540 -21.165 1.00 0.00 C ATOM 1688 C PHE A 101 -0.115 0.893 -21.629 1.00 0.00 C ATOM 1689 O PHE A 101 -1.211 1.234 -22.028 1.00 0.00 O ATOM 1690 CB PHE A 101 -0.049 -1.503 -22.338 1.00 0.00 C ATOM 1691 CG PHE A 101 1.191 -1.510 -23.201 1.00 0.00 C ATOM 1692 CD1 PHE A 101 2.430 -1.860 -22.646 1.00 0.00 C ATOM 1693 CD2 PHE A 101 1.103 -1.166 -24.557 1.00 0.00 C ATOM 1694 CE1 PHE A 101 3.580 -1.866 -23.446 1.00 0.00 C ATOM 1695 CE2 PHE A 101 2.254 -1.172 -25.357 1.00 0.00 C ATOM 1696 CZ PHE A 101 3.492 -1.522 -24.802 1.00 0.00 C ATOM 0 H PHE A 101 -1.365 -1.721 -20.234 1.00 0.00 H new ATOM 0 HA PHE A 101 1.173 -0.620 -20.800 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -0.252 -2.508 -21.967 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.914 -1.200 -22.928 1.00 0.00 H new ATOM 0 HD1 PHE A 101 2.498 -2.125 -21.601 1.00 0.00 H new ATOM 0 HD2 PHE A 101 0.149 -0.896 -24.985 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.534 -2.136 -23.018 1.00 0.00 H new ATOM 0 HE2 PHE A 101 2.187 -0.907 -26.402 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.378 -1.527 -25.419 1.00 0.00 H new ATOM 1706 N PHE A 102 0.879 1.737 -21.583 1.00 0.00 N ATOM 1707 CA PHE A 102 0.680 3.147 -22.023 1.00 0.00 C ATOM 1708 C PHE A 102 1.643 3.461 -23.170 1.00 0.00 C ATOM 1709 O PHE A 102 1.407 4.436 -23.866 1.00 0.00 O ATOM 1710 CB PHE A 102 0.955 4.092 -20.851 1.00 0.00 C ATOM 1711 CG PHE A 102 -0.008 5.254 -20.905 1.00 0.00 C ATOM 1712 CD1 PHE A 102 -1.390 5.020 -20.919 1.00 0.00 C ATOM 1713 CD2 PHE A 102 0.479 6.568 -20.940 1.00 0.00 C ATOM 1714 CE1 PHE A 102 -2.283 6.098 -20.968 1.00 0.00 C ATOM 1715 CE2 PHE A 102 -0.415 7.646 -20.988 1.00 0.00 C ATOM 1716 CZ PHE A 102 -1.795 7.411 -21.003 1.00 0.00 C ATOM 1717 OXT PHE A 102 2.600 2.723 -23.334 1.00 0.00 O ATOM 0 H PHE A 102 1.820 1.511 -21.260 1.00 0.00 H new ATOM 0 HA PHE A 102 -0.347 3.281 -22.362 1.00 0.00 H new ATOM 0 HB2 PHE A 102 0.846 3.559 -19.907 1.00 0.00 H new ATOM 0 HB3 PHE A 102 1.982 4.455 -20.895 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.766 4.008 -20.892 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.544 6.750 -20.930 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -3.348 5.917 -20.979 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -0.039 8.658 -21.013 1.00 0.00 H new ATOM 0 HZ PHE A 102 -2.484 8.242 -21.042 1.00 0.00 H new TER 1727 PHE A 102