USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 523 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 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 70 SER OG : rot -93:sc= 0.426 USER MOD Set 2.1: A 5 SER OG : rot -150:sc= 0 USER MOD Set 2.2: A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -155:sc= -0.0967 (180deg=-0.531) USER MOD Single : A 1 MET N :NH3+ -124:sc= -0.34 (180deg=-0.958) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 167:sc= -0.0924 (180deg=-0.355!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.224 F(o=-1.7,f=-0.22) USER MOD Single : A 30 SER OG : rot 180:sc= -0.187 USER MOD Single : A 32 ASN : amide:sc= -0.0319 K(o=-0.032,f=-1.6!) USER MOD Single : A 35 ASN : amide:sc= -0.481 K(o=-0.48,f=-2.4!) USER MOD Single : A 39 LYS NZ :NH3+ -148:sc= -0.173 (180deg=-1.2) USER MOD Single : A 42 CYS SG : rot 180:sc=-0.00188 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot -60:sc= 0.705 USER MOD Single : A 56 ASN : amide:sc= -0.0635 X(o=-0.063,f=-0.56) USER MOD Single : A 58 MET CE :methyl 146:sc= -3.2 (180deg=-7.38!) USER MOD Single : A 60 THR OG1 : rot 69:sc= 0.113 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 76 LYS NZ :NH3+ -163:sc= -0.124 (180deg=-0.589) USER MOD Single : A 79 HIS : no HD1:sc=-0.00572 X(o=-0.0057,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -17.831 -0.023 -1.203 1.00 0.00 N ATOM 2 CA MET A 1 -18.139 1.241 -1.864 1.00 0.00 C ATOM 3 C MET A 1 -17.134 1.533 -2.973 1.00 0.00 C ATOM 4 O MET A 1 -16.619 2.646 -3.080 1.00 0.00 O ATOM 5 CB MET A 1 -18.142 2.385 -0.849 1.00 0.00 C ATOM 6 CG MET A 1 -19.176 2.216 0.253 1.00 0.00 C ATOM 7 SD MET A 1 -20.726 3.061 -0.115 1.00 0.00 S ATOM 8 CE MET A 1 -20.216 4.773 0.003 1.00 0.00 C ATOM 0 H1 MET A 1 -18.661 -0.648 -1.246 1.00 0.00 H new ATOM 0 H2 MET A 1 -17.029 -0.479 -1.683 1.00 0.00 H new ATOM 0 H3 MET A 1 -17.583 0.156 -0.209 1.00 0.00 H new ATOM 0 HA MET A 1 -19.131 1.157 -2.309 1.00 0.00 H new ATOM 0 HB2 MET A 1 -17.152 2.463 -0.399 1.00 0.00 H new ATOM 0 HB3 MET A 1 -18.330 3.323 -1.371 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.372 1.154 0.403 1.00 0.00 H new ATOM 0 HG3 MET A 1 -18.770 2.600 1.189 1.00 0.00 H new ATOM 0 HE1 MET A 1 -21.079 5.394 0.244 1.00 0.00 H new ATOM 0 HE2 MET A 1 -19.465 4.876 0.786 1.00 0.00 H new ATOM 0 HE3 MET A 1 -19.793 5.093 -0.949 1.00 0.00 H new ATOM 16 N ALA A 2 -16.859 0.527 -3.798 1.00 0.00 N ATOM 17 CA ALA A 2 -15.916 0.678 -4.899 1.00 0.00 C ATOM 18 C ALA A 2 -15.964 -0.529 -5.831 1.00 0.00 C ATOM 19 O ALA A 2 -16.803 -1.415 -5.671 1.00 0.00 O ATOM 20 CB ALA A 2 -14.507 0.877 -4.365 1.00 0.00 C ATOM 0 H ALA A 2 -17.276 -0.401 -3.724 1.00 0.00 H new ATOM 0 HA ALA A 2 -16.203 1.560 -5.472 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -13.814 0.988 -5.199 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -14.476 1.773 -3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -14.219 0.012 -3.767 1.00 0.00 H new ATOM 26 N ARG A 3 -15.061 -0.555 -6.805 1.00 0.00 N ATOM 27 CA ARG A 3 -15.002 -1.651 -7.765 1.00 0.00 C ATOM 28 C ARG A 3 -13.582 -1.838 -8.290 1.00 0.00 C ATOM 29 O ARG A 3 -12.762 -0.924 -8.231 1.00 0.00 O ATOM 30 CB ARG A 3 -15.959 -1.390 -8.929 1.00 0.00 C ATOM 31 CG ARG A 3 -15.874 0.024 -9.483 1.00 0.00 C ATOM 32 CD ARG A 3 -16.528 0.127 -10.850 1.00 0.00 C ATOM 33 NE ARG A 3 -17.674 1.033 -10.843 1.00 0.00 N ATOM 34 CZ ARG A 3 -18.882 0.686 -10.415 1.00 0.00 C ATOM 35 NH1 ARG A 3 -19.103 -0.541 -9.963 1.00 0.00 N ATOM 36 NH2 ARG A 3 -19.874 1.567 -10.439 1.00 0.00 N ATOM 0 H ARG A 3 -14.359 0.171 -6.951 1.00 0.00 H new ATOM 0 HA ARG A 3 -15.305 -2.565 -7.254 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -15.745 -2.098 -9.730 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.980 -1.581 -8.599 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -16.359 0.716 -8.794 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -14.829 0.325 -9.555 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.795 0.476 -11.577 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.851 -0.863 -11.173 1.00 0.00 H new ATOM 0 HE ARG A 3 -17.539 1.984 -11.186 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -18.344 -1.222 -9.943 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -20.032 -0.804 -9.635 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -19.709 2.512 -10.786 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -20.802 1.300 -10.110 1.00 0.00 H new ATOM 47 N GLY A 4 -13.299 -3.031 -8.806 1.00 0.00 N ATOM 48 CA GLY A 4 -11.978 -3.316 -9.334 1.00 0.00 C ATOM 49 C GLY A 4 -10.882 -3.081 -8.313 1.00 0.00 C ATOM 50 O GLY A 4 -10.350 -1.976 -8.208 1.00 0.00 O ATOM 0 H GLY A 4 -13.961 -3.804 -8.867 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.940 -4.352 -9.671 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.797 -2.690 -10.208 1.00 0.00 H new ATOM 54 N SER A 5 -10.545 -4.122 -7.558 1.00 0.00 N ATOM 55 CA SER A 5 -9.510 -4.022 -6.536 1.00 0.00 C ATOM 56 C SER A 5 -9.231 -5.384 -5.910 1.00 0.00 C ATOM 57 O SER A 5 -9.702 -6.412 -6.397 1.00 0.00 O ATOM 58 CB SER A 5 -9.927 -3.025 -5.453 1.00 0.00 C ATOM 59 OG SER A 5 -10.878 -3.598 -4.572 1.00 0.00 O ATOM 0 H SER A 5 -10.974 -5.044 -7.635 1.00 0.00 H new ATOM 0 HA SER A 5 -8.596 -3.667 -7.013 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.050 -2.707 -4.890 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.348 -2.133 -5.918 1.00 0.00 H new ATOM 0 HG SER A 5 -11.465 -2.896 -4.223 1.00 0.00 H new ATOM 64 N VAL A 6 -8.461 -5.384 -4.827 1.00 0.00 N ATOM 65 CA VAL A 6 -8.118 -6.619 -4.132 1.00 0.00 C ATOM 66 C VAL A 6 -9.364 -7.453 -3.847 1.00 0.00 C ATOM 67 O VAL A 6 -10.480 -6.933 -3.828 1.00 0.00 O ATOM 68 CB VAL A 6 -7.390 -6.334 -2.805 1.00 0.00 C ATOM 69 CG1 VAL A 6 -5.928 -6.002 -3.058 1.00 0.00 C ATOM 70 CG2 VAL A 6 -8.078 -5.204 -2.052 1.00 0.00 C ATOM 0 H VAL A 6 -8.063 -4.542 -4.412 1.00 0.00 H new ATOM 0 HA VAL A 6 -7.452 -7.178 -4.790 1.00 0.00 H new ATOM 0 HB VAL A 6 -7.433 -7.231 -2.188 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -5.430 -5.804 -2.109 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -5.444 -6.844 -3.552 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.860 -5.120 -3.694 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.551 -5.016 -1.117 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.068 -4.301 -2.662 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.109 -5.485 -1.837 1.00 0.00 H new ATOM 80 N SER A 7 -9.164 -8.747 -3.625 1.00 0.00 N ATOM 81 CA SER A 7 -10.271 -9.655 -3.344 1.00 0.00 C ATOM 82 C SER A 7 -10.958 -9.283 -2.033 1.00 0.00 C ATOM 83 O SER A 7 -10.608 -8.289 -1.396 1.00 0.00 O ATOM 84 CB SER A 7 -9.771 -11.099 -3.279 1.00 0.00 C ATOM 85 OG SER A 7 -10.556 -11.947 -4.099 1.00 0.00 O ATOM 0 H SER A 7 -8.246 -9.191 -3.634 1.00 0.00 H new ATOM 0 HA SER A 7 -10.996 -9.566 -4.153 1.00 0.00 H new ATOM 0 HB2 SER A 7 -8.730 -11.141 -3.598 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.803 -11.452 -2.248 1.00 0.00 H new ATOM 0 HG SER A 7 -10.216 -12.864 -4.042 1.00 0.00 H new ATOM 90 N ASP A 8 -11.936 -10.090 -1.636 1.00 0.00 N ATOM 91 CA ASP A 8 -12.672 -9.848 -0.401 1.00 0.00 C ATOM 92 C ASP A 8 -11.804 -10.149 0.818 1.00 0.00 C ATOM 93 O ASP A 8 -11.645 -9.308 1.701 1.00 0.00 O ATOM 94 CB ASP A 8 -13.940 -10.702 -0.362 1.00 0.00 C ATOM 95 CG ASP A 8 -13.661 -12.165 -0.646 1.00 0.00 C ATOM 96 OD1 ASP A 8 -13.743 -12.979 0.297 1.00 0.00 O ATOM 97 OD2 ASP A 8 -13.364 -12.495 -1.813 1.00 0.00 O ATOM 0 H ASP A 8 -12.237 -10.917 -2.151 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.951 -8.795 -0.375 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.408 -10.608 0.618 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.653 -10.322 -1.094 1.00 0.00 H new ATOM 101 N GLU A 9 -11.246 -11.355 0.856 1.00 0.00 N ATOM 102 CA GLU A 9 -10.396 -11.767 1.967 1.00 0.00 C ATOM 103 C GLU A 9 -9.259 -10.772 2.180 1.00 0.00 C ATOM 104 O GLU A 9 -8.929 -10.425 3.314 1.00 0.00 O ATOM 105 CB GLU A 9 -9.825 -13.164 1.711 1.00 0.00 C ATOM 106 CG GLU A 9 -9.293 -13.354 0.301 1.00 0.00 C ATOM 107 CD GLU A 9 -8.541 -14.661 0.132 1.00 0.00 C ATOM 108 OE1 GLU A 9 -7.608 -14.914 0.923 1.00 0.00 O ATOM 109 OE2 GLU A 9 -8.885 -15.429 -0.790 1.00 0.00 O ATOM 0 H GLU A 9 -11.367 -12.063 0.132 1.00 0.00 H new ATOM 0 HA GLU A 9 -11.008 -11.792 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -9.022 -13.355 2.422 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -10.601 -13.905 1.900 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.124 -13.323 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -8.632 -12.524 0.051 1.00 0.00 H new ATOM 114 N GLU A 10 -8.663 -10.318 1.082 1.00 0.00 N ATOM 115 CA GLU A 10 -7.562 -9.365 1.149 1.00 0.00 C ATOM 116 C GLU A 10 -8.061 -7.987 1.574 1.00 0.00 C ATOM 117 O GLU A 10 -7.705 -7.489 2.641 1.00 0.00 O ATOM 118 CB GLU A 10 -6.858 -9.269 -0.206 1.00 0.00 C ATOM 119 CG GLU A 10 -5.401 -9.697 -0.167 1.00 0.00 C ATOM 120 CD GLU A 10 -5.168 -11.039 -0.832 1.00 0.00 C ATOM 121 OE1 GLU A 10 -4.386 -11.845 -0.285 1.00 0.00 O ATOM 122 OE2 GLU A 10 -5.767 -11.285 -1.900 1.00 0.00 O ATOM 0 H GLU A 10 -8.924 -10.595 0.136 1.00 0.00 H new ATOM 0 HA GLU A 10 -6.851 -9.721 1.895 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -7.391 -9.889 -0.927 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -6.916 -8.241 -0.564 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.791 -8.941 -0.661 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -5.069 -9.747 0.870 1.00 0.00 H new ATOM 127 N MET A 11 -8.887 -7.377 0.729 1.00 0.00 N ATOM 128 CA MET A 11 -9.435 -6.056 1.017 1.00 0.00 C ATOM 129 C MET A 11 -9.753 -5.912 2.502 1.00 0.00 C ATOM 130 O MET A 11 -9.492 -4.870 3.103 1.00 0.00 O ATOM 131 CB MET A 11 -10.697 -5.813 0.187 1.00 0.00 C ATOM 132 CG MET A 11 -11.185 -4.375 0.231 1.00 0.00 C ATOM 133 SD MET A 11 -9.858 -3.183 -0.035 1.00 0.00 S ATOM 134 CE MET A 11 -10.621 -2.089 -1.230 1.00 0.00 C ATOM 0 H MET A 11 -9.191 -7.776 -0.159 1.00 0.00 H new ATOM 0 HA MET A 11 -8.685 -5.312 0.751 1.00 0.00 H new ATOM 0 HB2 MET A 11 -10.500 -6.090 -0.849 1.00 0.00 H new ATOM 0 HB3 MET A 11 -11.490 -6.468 0.546 1.00 0.00 H new ATOM 0 HG2 MET A 11 -11.954 -4.233 -0.529 1.00 0.00 H new ATOM 0 HG3 MET A 11 -11.652 -4.183 1.197 1.00 0.00 H new ATOM 0 HE1 MET A 11 -9.922 -1.296 -1.495 1.00 0.00 H new ATOM 0 HE2 MET A 11 -10.885 -2.654 -2.124 1.00 0.00 H new ATOM 0 HE3 MET A 11 -11.521 -1.650 -0.799 1.00 0.00 H new ATOM 142 N MET A 12 -10.317 -6.964 3.086 1.00 0.00 N ATOM 143 CA MET A 12 -10.670 -6.952 4.502 1.00 0.00 C ATOM 144 C MET A 12 -9.418 -6.962 5.374 1.00 0.00 C ATOM 145 O MET A 12 -9.288 -6.159 6.297 1.00 0.00 O ATOM 146 CB MET A 12 -11.551 -8.157 4.840 1.00 0.00 C ATOM 147 CG MET A 12 -13.040 -7.857 4.780 1.00 0.00 C ATOM 148 SD MET A 12 -13.590 -6.800 6.133 1.00 0.00 S ATOM 149 CE MET A 12 -14.647 -7.929 7.035 1.00 0.00 C ATOM 0 H MET A 12 -10.539 -7.834 2.602 1.00 0.00 H new ATOM 0 HA MET A 12 -11.226 -6.037 4.705 1.00 0.00 H new ATOM 0 HB2 MET A 12 -11.324 -8.968 4.148 1.00 0.00 H new ATOM 0 HB3 MET A 12 -11.300 -8.511 5.840 1.00 0.00 H new ATOM 0 HG2 MET A 12 -13.272 -7.375 3.830 1.00 0.00 H new ATOM 0 HG3 MET A 12 -13.597 -8.794 4.806 1.00 0.00 H new ATOM 0 HE1 MET A 12 -15.065 -7.421 7.904 1.00 0.00 H new ATOM 0 HE2 MET A 12 -15.457 -8.265 6.387 1.00 0.00 H new ATOM 0 HE3 MET A 12 -14.064 -8.789 7.363 1.00 0.00 H new ATOM 157 N GLU A 13 -8.501 -7.877 5.075 1.00 0.00 N ATOM 158 CA GLU A 13 -7.261 -7.990 5.833 1.00 0.00 C ATOM 159 C GLU A 13 -6.368 -6.774 5.602 1.00 0.00 C ATOM 160 O GLU A 13 -6.019 -6.059 6.541 1.00 0.00 O ATOM 161 CB GLU A 13 -6.513 -9.267 5.442 1.00 0.00 C ATOM 162 CG GLU A 13 -6.729 -10.420 6.409 1.00 0.00 C ATOM 163 CD GLU A 13 -8.151 -10.945 6.381 1.00 0.00 C ATOM 164 OE1 GLU A 13 -9.045 -10.267 6.929 1.00 0.00 O ATOM 165 OE2 GLU A 13 -8.370 -12.035 5.813 1.00 0.00 O ATOM 0 H GLU A 13 -8.594 -8.550 4.314 1.00 0.00 H new ATOM 0 HA GLU A 13 -7.516 -8.036 6.892 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.832 -9.574 4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.447 -9.049 5.382 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.042 -11.229 6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -6.486 -10.092 7.420 1.00 0.00 H new ATOM 170 N LEU A 14 -6.002 -6.548 4.346 1.00 0.00 N ATOM 171 CA LEU A 14 -5.149 -5.418 3.989 1.00 0.00 C ATOM 172 C LEU A 14 -5.640 -4.136 4.653 1.00 0.00 C ATOM 173 O LEU A 14 -4.860 -3.402 5.260 1.00 0.00 O ATOM 174 CB LEU A 14 -5.115 -5.239 2.471 1.00 0.00 C ATOM 175 CG LEU A 14 -5.065 -6.525 1.644 1.00 0.00 C ATOM 176 CD1 LEU A 14 -4.886 -6.204 0.169 1.00 0.00 C ATOM 177 CD2 LEU A 14 -3.945 -7.431 2.135 1.00 0.00 C ATOM 0 H LEU A 14 -6.282 -7.131 3.557 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.141 -5.628 4.346 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.997 -4.673 2.172 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.246 -4.633 2.216 1.00 0.00 H new ATOM 0 HG LEU A 14 -6.011 -7.051 1.767 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.853 -7.131 -0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -5.722 -5.595 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.955 -5.656 0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.924 -8.341 1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.991 -6.913 2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.117 -7.689 3.180 1.00 0.00 H new ATOM 188 N ARG A 15 -6.937 -3.872 4.534 1.00 0.00 N ATOM 189 CA ARG A 15 -7.531 -2.678 5.124 1.00 0.00 C ATOM 190 C ARG A 15 -7.356 -2.675 6.639 1.00 0.00 C ATOM 191 O ARG A 15 -6.954 -1.670 7.224 1.00 0.00 O ATOM 192 CB ARG A 15 -9.017 -2.596 4.771 1.00 0.00 C ATOM 193 CG ARG A 15 -9.769 -1.525 5.547 1.00 0.00 C ATOM 194 CD ARG A 15 -10.990 -2.100 6.246 1.00 0.00 C ATOM 195 NE ARG A 15 -12.223 -1.446 5.819 1.00 0.00 N ATOM 196 CZ ARG A 15 -12.616 -0.255 6.259 1.00 0.00 C ATOM 197 NH1 ARG A 15 -11.873 0.408 7.135 1.00 0.00 N ATOM 198 NH2 ARG A 15 -13.751 0.275 5.823 1.00 0.00 N ATOM 0 H ARG A 15 -7.597 -4.469 4.035 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.018 -1.807 4.716 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.118 -2.398 3.704 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -9.481 -3.564 4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.105 -1.074 6.284 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.078 -0.730 4.868 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.056 -3.168 6.040 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.876 -1.990 7.324 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.816 -1.930 5.145 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.999 0.004 7.472 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.176 1.322 7.472 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.324 -0.232 5.149 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.050 1.189 6.162 1.00 0.00 H new ATOM 209 N GLU A 16 -7.661 -3.806 7.267 1.00 0.00 N ATOM 210 CA GLU A 16 -7.538 -3.933 8.715 1.00 0.00 C ATOM 211 C GLU A 16 -6.182 -3.422 9.192 1.00 0.00 C ATOM 212 O GLU A 16 -6.104 -2.479 9.980 1.00 0.00 O ATOM 213 CB GLU A 16 -7.724 -5.391 9.140 1.00 0.00 C ATOM 214 CG GLU A 16 -9.012 -5.643 9.906 1.00 0.00 C ATOM 215 CD GLU A 16 -9.405 -7.107 9.921 1.00 0.00 C ATOM 216 OE1 GLU A 16 -10.604 -7.397 10.114 1.00 0.00 O ATOM 217 OE2 GLU A 16 -8.513 -7.963 9.742 1.00 0.00 O ATOM 0 H GLU A 16 -7.995 -4.647 6.796 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.318 -3.326 9.175 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.709 -6.024 8.253 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.879 -5.691 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.895 -5.292 10.931 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.817 -5.059 9.459 1.00 0.00 H new ATOM 222 N ALA A 17 -5.115 -4.051 8.711 1.00 0.00 N ATOM 223 CA ALA A 17 -3.762 -3.660 9.086 1.00 0.00 C ATOM 224 C ALA A 17 -3.507 -2.191 8.767 1.00 0.00 C ATOM 225 O ALA A 17 -3.113 -1.415 9.638 1.00 0.00 O ATOM 226 CB ALA A 17 -2.742 -4.540 8.379 1.00 0.00 C ATOM 0 H ALA A 17 -5.162 -4.835 8.060 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.657 -3.795 10.163 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.736 -4.236 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.902 -5.581 8.661 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.856 -4.434 7.300 1.00 0.00 H new ATOM 232 N PHE A 18 -3.734 -1.814 7.513 1.00 0.00 N ATOM 233 CA PHE A 18 -3.527 -0.438 7.079 1.00 0.00 C ATOM 234 C PHE A 18 -4.055 0.546 8.119 1.00 0.00 C ATOM 235 O PHE A 18 -3.475 1.610 8.334 1.00 0.00 O ATOM 236 CB PHE A 18 -4.216 -0.196 5.734 1.00 0.00 C ATOM 237 CG PHE A 18 -4.075 1.213 5.234 1.00 0.00 C ATOM 238 CD1 PHE A 18 -3.246 1.502 4.162 1.00 0.00 C ATOM 239 CD2 PHE A 18 -4.772 2.249 5.836 1.00 0.00 C ATOM 240 CE1 PHE A 18 -3.114 2.798 3.699 1.00 0.00 C ATOM 241 CE2 PHE A 18 -4.645 3.546 5.376 1.00 0.00 C ATOM 242 CZ PHE A 18 -3.814 3.821 4.308 1.00 0.00 C ATOM 0 H PHE A 18 -4.061 -2.443 6.780 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.455 -0.277 6.964 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.800 -0.879 4.994 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -5.275 -0.435 5.829 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.696 0.705 3.682 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -5.421 2.040 6.673 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -2.465 3.010 2.863 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -5.195 4.344 5.852 1.00 0.00 H new ATOM 0 HZ PHE A 18 -3.712 4.835 3.949 1.00 0.00 H new ATOM 251 N ALA A 19 -5.161 0.183 8.759 1.00 0.00 N ATOM 252 CA ALA A 19 -5.769 1.032 9.778 1.00 0.00 C ATOM 253 C ALA A 19 -4.822 1.239 10.955 1.00 0.00 C ATOM 254 O ALA A 19 -4.548 2.370 11.353 1.00 0.00 O ATOM 255 CB ALA A 19 -7.081 0.428 10.253 1.00 0.00 C ATOM 0 H ALA A 19 -5.655 -0.693 8.591 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.971 2.006 9.332 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.524 1.072 11.013 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.766 0.338 9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.895 -0.559 10.677 1.00 0.00 H new ATOM 261 N LYS A 20 -4.325 0.138 11.510 1.00 0.00 N ATOM 262 CA LYS A 20 -3.409 0.198 12.642 1.00 0.00 C ATOM 263 C LYS A 20 -2.181 1.038 12.304 1.00 0.00 C ATOM 264 O LYS A 20 -1.494 1.537 13.195 1.00 0.00 O ATOM 265 CB LYS A 20 -2.979 -1.212 13.052 1.00 0.00 C ATOM 266 CG LYS A 20 -3.894 -1.852 14.082 1.00 0.00 C ATOM 267 CD LYS A 20 -5.184 -2.346 13.451 1.00 0.00 C ATOM 268 CE LYS A 20 -4.996 -3.699 12.783 1.00 0.00 C ATOM 269 NZ LYS A 20 -6.249 -4.178 12.136 1.00 0.00 N ATOM 0 H LYS A 20 -4.542 -0.807 11.193 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.931 0.668 13.475 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -2.946 -1.845 12.165 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.966 -1.172 13.453 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.379 -2.686 14.560 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -4.124 -1.129 14.865 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -5.958 -2.421 14.215 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -5.531 -1.621 12.715 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -4.206 -3.628 12.036 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -4.669 -4.428 13.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.032 -4.982 11.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -6.924 -4.479 12.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.667 -3.408 11.576 1.00 0.00 H new ATOM 279 N VAL A 21 -1.911 1.190 11.011 1.00 0.00 N ATOM 280 CA VAL A 21 -0.767 1.971 10.555 1.00 0.00 C ATOM 281 C VAL A 21 -1.215 3.288 9.932 1.00 0.00 C ATOM 282 O VAL A 21 -0.399 4.051 9.417 1.00 0.00 O ATOM 283 CB VAL A 21 0.074 1.188 9.529 1.00 0.00 C ATOM 284 CG1 VAL A 21 1.379 0.720 10.155 1.00 0.00 C ATOM 285 CG2 VAL A 21 -0.717 0.011 8.981 1.00 0.00 C ATOM 0 H VAL A 21 -2.469 0.782 10.261 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.154 2.178 11.432 1.00 0.00 H new ATOM 0 HB VAL A 21 0.315 1.852 8.699 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.960 0.169 9.416 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.950 1.584 10.495 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.163 0.071 11.004 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.108 -0.531 8.258 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.990 -0.656 9.799 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.621 0.376 8.493 1.00 0.00 H new ATOM 295 N ASP A 22 -2.517 3.547 9.981 1.00 0.00 N ATOM 296 CA ASP A 22 -3.073 4.774 9.422 1.00 0.00 C ATOM 297 C ASP A 22 -3.189 5.855 10.492 1.00 0.00 C ATOM 298 O ASP A 22 -4.279 6.143 10.986 1.00 0.00 O ATOM 299 CB ASP A 22 -4.447 4.501 8.806 1.00 0.00 C ATOM 300 CG ASP A 22 -5.159 5.773 8.392 1.00 0.00 C ATOM 301 OD1 ASP A 22 -4.479 6.810 8.236 1.00 0.00 O ATOM 302 OD2 ASP A 22 -6.395 5.732 8.221 1.00 0.00 O ATOM 0 H ASP A 22 -3.207 2.924 10.402 1.00 0.00 H new ATOM 0 HA ASP A 22 -2.397 5.129 8.644 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.330 3.854 7.936 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.063 3.961 9.525 1.00 0.00 H new ATOM 306 N THR A 23 -2.055 6.452 10.846 1.00 0.00 N ATOM 307 CA THR A 23 -2.027 7.501 11.858 1.00 0.00 C ATOM 308 C THR A 23 -2.938 8.660 11.474 1.00 0.00 C ATOM 309 O THR A 23 -3.586 9.263 12.329 1.00 0.00 O ATOM 310 CB THR A 23 -0.599 8.035 12.074 1.00 0.00 C ATOM 311 OG1 THR A 23 -0.102 8.613 10.862 1.00 0.00 O ATOM 312 CG2 THR A 23 0.333 6.922 12.530 1.00 0.00 C ATOM 0 H THR A 23 -1.144 6.227 10.447 1.00 0.00 H new ATOM 0 HA THR A 23 -2.384 7.054 12.786 1.00 0.00 H new ATOM 0 HB THR A 23 -0.635 8.798 12.851 1.00 0.00 H new ATOM 0 HG1 THR A 23 0.806 8.951 11.009 1.00 0.00 H new ATOM 0 HG21 THR A 23 1.336 7.324 12.676 1.00 0.00 H new ATOM 0 HG22 THR A 23 -0.031 6.505 13.469 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.363 6.139 11.772 1.00 0.00 H new ATOM 320 N ASP A 24 -2.984 8.967 10.183 1.00 0.00 N ATOM 321 CA ASP A 24 -3.818 10.055 9.684 1.00 0.00 C ATOM 322 C ASP A 24 -5.293 9.778 9.959 1.00 0.00 C ATOM 323 O ASP A 24 -6.097 10.702 10.082 1.00 0.00 O ATOM 324 CB ASP A 24 -3.595 10.251 8.184 1.00 0.00 C ATOM 325 CG ASP A 24 -2.241 10.861 7.875 1.00 0.00 C ATOM 326 OD1 ASP A 24 -1.217 10.198 8.143 1.00 0.00 O ATOM 327 OD2 ASP A 24 -2.207 11.999 7.363 1.00 0.00 O ATOM 0 H ASP A 24 -2.454 8.478 9.462 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.533 10.968 10.208 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.681 9.289 7.678 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.380 10.893 7.784 1.00 0.00 H new ATOM 331 N GLY A 25 -5.642 8.498 10.054 1.00 0.00 N ATOM 332 CA GLY A 25 -7.021 8.123 10.313 1.00 0.00 C ATOM 333 C GLY A 25 -7.937 8.444 9.149 1.00 0.00 C ATOM 334 O GLY A 25 -9.153 8.281 9.245 1.00 0.00 O ATOM 0 H GLY A 25 -4.996 7.715 9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -7.070 7.055 10.526 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -7.375 8.643 11.204 1.00 0.00 H new ATOM 338 N ASN A 26 -7.353 8.903 8.047 1.00 0.00 N ATOM 339 CA ASN A 26 -8.126 9.250 6.859 1.00 0.00 C ATOM 340 C ASN A 26 -7.796 8.312 5.703 1.00 0.00 C ATOM 341 O ASN A 26 -8.005 8.649 4.538 1.00 0.00 O ATOM 342 CB ASN A 26 -7.851 10.698 6.452 1.00 0.00 C ATOM 343 CG ASN A 26 -7.683 11.614 7.649 1.00 0.00 C ATOM 344 OD1 ASN A 26 -6.482 12.156 7.815 1.00 0.00 O flip ATOM 345 ND2 ASN A 26 -8.622 11.832 8.415 1.00 0.00 N flip ATOM 0 H ASN A 26 -6.347 9.043 7.951 1.00 0.00 H new ATOM 0 HA ASN A 26 -9.184 9.143 7.099 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.950 10.735 5.840 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.672 11.061 5.833 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -9.528 11.394 8.249 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -8.494 12.451 9.216 1.00 0.00 H new ATOM 351 N GLY A 27 -7.279 7.132 6.033 1.00 0.00 N ATOM 352 CA GLY A 27 -6.928 6.163 5.010 1.00 0.00 C ATOM 353 C GLY A 27 -5.592 6.463 4.362 1.00 0.00 C ATOM 354 O GLY A 27 -5.390 6.183 3.180 1.00 0.00 O ATOM 0 H GLY A 27 -7.097 6.830 6.990 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.898 5.167 5.452 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -7.704 6.149 4.245 1.00 0.00 H new ATOM 358 N TYR A 28 -4.676 7.034 5.137 1.00 0.00 N ATOM 359 CA TYR A 28 -3.351 7.375 4.630 1.00 0.00 C ATOM 360 C TYR A 28 -2.260 6.805 5.529 1.00 0.00 C ATOM 361 O TYR A 28 -2.399 6.779 6.753 1.00 0.00 O ATOM 362 CB TYR A 28 -3.199 8.893 4.524 1.00 0.00 C ATOM 363 CG TYR A 28 -3.436 9.430 3.130 1.00 0.00 C ATOM 364 CD1 TYR A 28 -2.421 9.423 2.181 1.00 0.00 C ATOM 365 CD2 TYR A 28 -4.673 9.945 2.764 1.00 0.00 C ATOM 366 CE1 TYR A 28 -2.632 9.914 0.906 1.00 0.00 C ATOM 367 CE2 TYR A 28 -4.894 10.436 1.491 1.00 0.00 C ATOM 368 CZ TYR A 28 -3.871 10.418 0.567 1.00 0.00 C ATOM 369 OH TYR A 28 -4.086 10.908 -0.702 1.00 0.00 O ATOM 0 H TYR A 28 -4.826 7.270 6.118 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.245 6.935 3.638 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.899 9.369 5.211 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.196 9.173 4.846 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.451 9.027 2.444 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.476 9.962 3.486 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.832 9.903 0.180 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.862 10.831 1.222 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.010 11.224 -0.778 1.00 0.00 H new ATOM 378 N ILE A 29 -1.175 6.347 4.914 1.00 0.00 N ATOM 379 CA ILE A 29 -0.058 5.778 5.659 1.00 0.00 C ATOM 380 C ILE A 29 1.277 6.252 5.094 1.00 0.00 C ATOM 381 O ILE A 29 1.411 6.469 3.890 1.00 0.00 O ATOM 382 CB ILE A 29 -0.094 4.238 5.639 1.00 0.00 C ATOM 383 CG1 ILE A 29 0.015 3.722 4.203 1.00 0.00 C ATOM 384 CG2 ILE A 29 -1.370 3.730 6.294 1.00 0.00 C ATOM 385 CD1 ILE A 29 0.192 2.223 4.111 1.00 0.00 C ATOM 0 H ILE A 29 -1.045 6.359 3.902 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.157 6.122 6.689 1.00 0.00 H new ATOM 0 HB ILE A 29 0.758 3.862 6.206 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -0.882 4.008 3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.858 4.210 3.713 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.381 2.640 6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.410 4.073 7.328 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.235 4.113 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 29 0.262 1.928 3.064 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.104 1.932 4.632 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.663 1.727 4.571 1.00 0.00 H new ATOM 396 N SER A 30 2.263 6.407 5.972 1.00 0.00 N ATOM 397 CA SER A 30 3.588 6.857 5.562 1.00 0.00 C ATOM 398 C SER A 30 4.379 5.714 4.933 1.00 0.00 C ATOM 399 O SER A 30 4.059 4.541 5.129 1.00 0.00 O ATOM 400 CB SER A 30 4.352 7.422 6.760 1.00 0.00 C ATOM 401 OG SER A 30 5.734 7.540 6.475 1.00 0.00 O ATOM 0 H SER A 30 2.169 6.228 6.972 1.00 0.00 H new ATOM 0 HA SER A 30 3.463 7.643 4.817 1.00 0.00 H new ATOM 0 HB2 SER A 30 3.948 8.399 7.025 1.00 0.00 H new ATOM 0 HB3 SER A 30 4.210 6.773 7.624 1.00 0.00 H new ATOM 0 HG SER A 30 6.199 7.905 7.256 1.00 0.00 H new ATOM 406 N PHE A 31 5.414 6.064 4.177 1.00 0.00 N ATOM 407 CA PHE A 31 6.251 5.069 3.519 1.00 0.00 C ATOM 408 C PHE A 31 6.616 3.942 4.481 1.00 0.00 C ATOM 409 O PHE A 31 6.404 2.766 4.186 1.00 0.00 O ATOM 410 CB PHE A 31 7.523 5.720 2.974 1.00 0.00 C ATOM 411 CG PHE A 31 7.370 6.263 1.582 1.00 0.00 C ATOM 412 CD1 PHE A 31 6.964 7.572 1.375 1.00 0.00 C ATOM 413 CD2 PHE A 31 7.634 5.464 0.481 1.00 0.00 C ATOM 414 CE1 PHE A 31 6.822 8.074 0.095 1.00 0.00 C ATOM 415 CE2 PHE A 31 7.494 5.962 -0.802 1.00 0.00 C ATOM 416 CZ PHE A 31 7.087 7.267 -0.995 1.00 0.00 C ATOM 0 H PHE A 31 5.693 7.030 4.005 1.00 0.00 H new ATOM 0 HA PHE A 31 5.684 4.646 2.690 1.00 0.00 H new ATOM 0 HB2 PHE A 31 7.821 6.529 3.640 1.00 0.00 H new ATOM 0 HB3 PHE A 31 8.329 4.987 2.983 1.00 0.00 H new ATOM 0 HD1 PHE A 31 6.756 8.207 2.224 1.00 0.00 H new ATOM 0 HD2 PHE A 31 7.952 4.442 0.626 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.504 9.096 -0.053 1.00 0.00 H new ATOM 0 HE2 PHE A 31 7.703 5.330 -1.652 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.976 7.657 -1.996 1.00 0.00 H new ATOM 425 N ASN A 32 7.165 4.311 5.634 1.00 0.00 N ATOM 426 CA ASN A 32 7.561 3.332 6.639 1.00 0.00 C ATOM 427 C ASN A 32 6.383 2.444 7.029 1.00 0.00 C ATOM 428 O ASN A 32 6.502 1.220 7.070 1.00 0.00 O ATOM 429 CB ASN A 32 8.113 4.038 7.879 1.00 0.00 C ATOM 430 CG ASN A 32 9.525 4.552 7.672 1.00 0.00 C ATOM 431 OD1 ASN A 32 10.268 4.035 6.838 1.00 0.00 O ATOM 432 ND2 ASN A 32 9.900 5.573 8.433 1.00 0.00 N ATOM 0 H ASN A 32 7.346 5.280 5.895 1.00 0.00 H new ATOM 0 HA ASN A 32 8.340 2.703 6.209 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.461 4.871 8.140 1.00 0.00 H new ATOM 0 HB3 ASN A 32 8.101 3.348 8.722 1.00 0.00 H new ATOM 0 HD21 ASN A 32 10.839 5.961 8.339 1.00 0.00 H new ATOM 0 HD22 ASN A 32 9.250 5.969 9.111 1.00 0.00 H new ATOM 438 N GLU A 33 5.245 3.071 7.311 1.00 0.00 N ATOM 439 CA GLU A 33 4.045 2.338 7.697 1.00 0.00 C ATOM 440 C GLU A 33 3.618 1.375 6.593 1.00 0.00 C ATOM 441 O GLU A 33 3.207 0.245 6.864 1.00 0.00 O ATOM 442 CB GLU A 33 2.905 3.310 8.010 1.00 0.00 C ATOM 443 CG GLU A 33 3.256 4.337 9.073 1.00 0.00 C ATOM 444 CD GLU A 33 4.363 3.867 9.996 1.00 0.00 C ATOM 445 OE1 GLU A 33 5.476 4.428 9.920 1.00 0.00 O ATOM 446 OE2 GLU A 33 4.117 2.939 10.793 1.00 0.00 O ATOM 0 H GLU A 33 5.129 4.084 7.279 1.00 0.00 H new ATOM 0 HA GLU A 33 4.275 1.760 8.592 1.00 0.00 H new ATOM 0 HB2 GLU A 33 2.620 3.829 7.095 1.00 0.00 H new ATOM 0 HB3 GLU A 33 2.035 2.742 8.339 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.561 5.265 8.589 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.367 4.562 9.663 1.00 0.00 H new ATOM 451 N LEU A 34 3.718 1.828 5.349 1.00 0.00 N ATOM 452 CA LEU A 34 3.341 1.008 4.202 1.00 0.00 C ATOM 453 C LEU A 34 4.088 -0.323 4.217 1.00 0.00 C ATOM 454 O LEU A 34 3.479 -1.386 4.317 1.00 0.00 O ATOM 455 CB LEU A 34 3.631 1.754 2.899 1.00 0.00 C ATOM 456 CG LEU A 34 3.804 0.886 1.653 1.00 0.00 C ATOM 457 CD1 LEU A 34 2.503 0.174 1.315 1.00 0.00 C ATOM 458 CD2 LEU A 34 4.274 1.730 0.476 1.00 0.00 C ATOM 0 H LEU A 34 4.057 2.759 5.108 1.00 0.00 H new ATOM 0 HA LEU A 34 2.272 0.805 4.266 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.818 2.457 2.718 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.538 2.344 3.035 1.00 0.00 H new ATOM 0 HG LEU A 34 4.564 0.133 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 34 2.645 -0.439 0.425 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.208 -0.461 2.150 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.723 0.912 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 34 4.392 1.096 -0.403 1.00 0.00 H new ATOM 0 HD22 LEU A 34 3.537 2.506 0.267 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.230 2.194 0.720 1.00 0.00 H new ATOM 469 N ASN A 35 5.412 -0.253 4.119 1.00 0.00 N ATOM 470 CA ASN A 35 6.242 -1.452 4.122 1.00 0.00 C ATOM 471 C ASN A 35 5.879 -2.362 5.292 1.00 0.00 C ATOM 472 O ASN A 35 5.768 -3.578 5.136 1.00 0.00 O ATOM 473 CB ASN A 35 7.722 -1.073 4.196 1.00 0.00 C ATOM 474 CG ASN A 35 8.636 -2.272 4.030 1.00 0.00 C ATOM 475 OD1 ASN A 35 8.557 -3.236 4.792 1.00 0.00 O ATOM 476 ND2 ASN A 35 9.508 -2.217 3.030 1.00 0.00 N ATOM 0 H ASN A 35 5.932 0.620 4.037 1.00 0.00 H new ATOM 0 HA ASN A 35 6.059 -1.993 3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 35 7.945 -0.340 3.421 1.00 0.00 H new ATOM 0 HB3 ASN A 35 7.924 -0.596 5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 35 10.148 -2.994 2.868 1.00 0.00 H new ATOM 0 HD22 ASN A 35 9.538 -1.397 2.424 1.00 0.00 H new ATOM 482 N ASP A 36 5.696 -1.763 6.464 1.00 0.00 N ATOM 483 CA ASP A 36 5.344 -2.519 7.661 1.00 0.00 C ATOM 484 C ASP A 36 3.988 -3.198 7.497 1.00 0.00 C ATOM 485 O ASP A 36 3.766 -4.295 8.010 1.00 0.00 O ATOM 486 CB ASP A 36 5.323 -1.598 8.883 1.00 0.00 C ATOM 487 CG ASP A 36 6.698 -1.064 9.229 1.00 0.00 C ATOM 488 OD1 ASP A 36 6.882 -0.594 10.372 1.00 0.00 O ATOM 489 OD2 ASP A 36 7.591 -1.114 8.358 1.00 0.00 O ATOM 0 H ASP A 36 5.785 -0.758 6.611 1.00 0.00 H new ATOM 0 HA ASP A 36 6.100 -3.290 7.809 1.00 0.00 H new ATOM 0 HB2 ASP A 36 4.649 -0.763 8.693 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.922 -2.143 9.738 1.00 0.00 H new ATOM 493 N LEU A 37 3.087 -2.539 6.778 1.00 0.00 N ATOM 494 CA LEU A 37 1.751 -3.078 6.546 1.00 0.00 C ATOM 495 C LEU A 37 1.802 -4.266 5.590 1.00 0.00 C ATOM 496 O LEU A 37 1.001 -5.196 5.696 1.00 0.00 O ATOM 497 CB LEU A 37 0.832 -1.994 5.981 1.00 0.00 C ATOM 498 CG LEU A 37 -0.298 -2.478 5.072 1.00 0.00 C ATOM 499 CD1 LEU A 37 -1.236 -3.402 5.833 1.00 0.00 C ATOM 500 CD2 LEU A 37 -1.063 -1.295 4.496 1.00 0.00 C ATOM 0 H LEU A 37 3.256 -1.631 6.345 1.00 0.00 H new ATOM 0 HA LEU A 37 1.354 -3.420 7.502 1.00 0.00 H new ATOM 0 HB2 LEU A 37 0.391 -1.448 6.815 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.442 -1.284 5.422 1.00 0.00 H new ATOM 0 HG LEU A 37 0.140 -3.038 4.246 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.034 -3.737 5.170 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.680 -4.266 6.196 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.667 -2.866 6.679 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.863 -1.658 3.852 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.490 -0.707 5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.384 -0.671 3.915 1.00 0.00 H new ATOM 511 N PHE A 38 2.749 -4.230 4.659 1.00 0.00 N ATOM 512 CA PHE A 38 2.905 -5.304 3.685 1.00 0.00 C ATOM 513 C PHE A 38 3.398 -6.581 4.359 1.00 0.00 C ATOM 514 O PHE A 38 2.997 -7.685 3.991 1.00 0.00 O ATOM 515 CB PHE A 38 3.883 -4.884 2.585 1.00 0.00 C ATOM 516 CG PHE A 38 3.224 -4.648 1.256 1.00 0.00 C ATOM 517 CD1 PHE A 38 2.697 -3.406 0.941 1.00 0.00 C ATOM 518 CD2 PHE A 38 3.132 -5.667 0.323 1.00 0.00 C ATOM 519 CE1 PHE A 38 2.091 -3.185 -0.282 1.00 0.00 C ATOM 520 CE2 PHE A 38 2.527 -5.452 -0.901 1.00 0.00 C ATOM 521 CZ PHE A 38 2.005 -4.209 -1.203 1.00 0.00 C ATOM 0 H PHE A 38 3.420 -3.469 4.558 1.00 0.00 H new ATOM 0 HA PHE A 38 1.930 -5.502 3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.396 -3.973 2.894 1.00 0.00 H new ATOM 0 HB3 PHE A 38 4.644 -5.656 2.472 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.760 -2.601 1.659 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.538 -6.641 0.554 1.00 0.00 H new ATOM 0 HE1 PHE A 38 1.685 -2.212 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 38 2.462 -6.255 -1.621 1.00 0.00 H new ATOM 0 HZ PHE A 38 1.530 -4.039 -2.158 1.00 0.00 H new ATOM 530 N LYS A 39 4.270 -6.423 5.348 1.00 0.00 N ATOM 531 CA LYS A 39 4.819 -7.561 6.076 1.00 0.00 C ATOM 532 C LYS A 39 3.926 -7.934 7.255 1.00 0.00 C ATOM 533 O LYS A 39 3.835 -9.102 7.631 1.00 0.00 O ATOM 534 CB LYS A 39 6.231 -7.244 6.572 1.00 0.00 C ATOM 535 CG LYS A 39 7.149 -6.704 5.489 1.00 0.00 C ATOM 536 CD LYS A 39 8.611 -6.929 5.834 1.00 0.00 C ATOM 537 CE LYS A 39 9.079 -8.311 5.405 1.00 0.00 C ATOM 538 NZ LYS A 39 8.923 -9.312 6.498 1.00 0.00 N ATOM 0 H LYS A 39 4.613 -5.516 5.665 1.00 0.00 H new ATOM 0 HA LYS A 39 4.863 -8.409 5.393 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.168 -6.515 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 39 6.671 -8.148 6.992 1.00 0.00 H new ATOM 0 HG2 LYS A 39 6.919 -7.190 4.541 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.966 -5.638 5.354 1.00 0.00 H new ATOM 0 HD2 LYS A 39 9.222 -6.169 5.346 1.00 0.00 H new ATOM 0 HD3 LYS A 39 8.754 -6.812 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 39 8.510 -8.633 4.533 1.00 0.00 H new ATOM 0 HE3 LYS A 39 10.125 -8.263 5.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 9.676 -10.026 6.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 8.988 -8.833 7.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.996 -9.777 6.414 1.00 0.00 H new ATOM 548 N ALA A 40 3.269 -6.935 7.832 1.00 0.00 N ATOM 549 CA ALA A 40 2.381 -7.159 8.967 1.00 0.00 C ATOM 550 C ALA A 40 1.083 -7.827 8.524 1.00 0.00 C ATOM 551 O ALA A 40 0.454 -8.552 9.295 1.00 0.00 O ATOM 552 CB ALA A 40 2.085 -5.843 9.674 1.00 0.00 C ATOM 0 H ALA A 40 3.334 -5.962 7.533 1.00 0.00 H new ATOM 0 HA ALA A 40 2.885 -7.828 9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 40 1.421 -6.025 10.519 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.017 -5.405 10.032 1.00 0.00 H new ATOM 0 HB3 ALA A 40 1.605 -5.156 8.977 1.00 0.00 H new ATOM 558 N ALA A 41 0.689 -7.579 7.280 1.00 0.00 N ATOM 559 CA ALA A 41 -0.533 -8.158 6.736 1.00 0.00 C ATOM 560 C ALA A 41 -0.261 -9.521 6.109 1.00 0.00 C ATOM 561 O ALA A 41 -1.117 -10.079 5.420 1.00 0.00 O ATOM 562 CB ALA A 41 -1.152 -7.218 5.712 1.00 0.00 C ATOM 0 H ALA A 41 1.198 -6.981 6.629 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.237 -8.298 7.556 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -2.064 -7.663 5.314 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.390 -6.267 6.188 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.446 -7.050 4.899 1.00 0.00 H new ATOM 568 N CYS A 42 0.931 -10.052 6.352 1.00 0.00 N ATOM 569 CA CYS A 42 1.316 -11.351 5.810 1.00 0.00 C ATOM 570 C CYS A 42 1.050 -11.413 4.309 1.00 0.00 C ATOM 571 O CYS A 42 0.394 -12.335 3.822 1.00 0.00 O ATOM 572 CB CYS A 42 0.554 -12.469 6.522 1.00 0.00 C ATOM 573 SG CYS A 42 1.286 -14.110 6.311 1.00 0.00 S ATOM 0 H CYS A 42 1.649 -9.603 6.921 1.00 0.00 H new ATOM 0 HA CYS A 42 2.385 -11.486 5.977 1.00 0.00 H new ATOM 0 HB2 CYS A 42 0.503 -12.239 7.586 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.471 -12.489 6.151 1.00 0.00 H new ATOM 0 HG CYS A 42 0.573 -14.989 6.951 1.00 0.00 H new ATOM 578 N LEU A 43 1.562 -10.427 3.582 1.00 0.00 N ATOM 579 CA LEU A 43 1.379 -10.368 2.136 1.00 0.00 C ATOM 580 C LEU A 43 2.373 -11.281 1.423 1.00 0.00 C ATOM 581 O LEU A 43 3.435 -11.612 1.948 1.00 0.00 O ATOM 582 CB LEU A 43 1.542 -8.930 1.639 1.00 0.00 C ATOM 583 CG LEU A 43 0.543 -7.912 2.190 1.00 0.00 C ATOM 584 CD1 LEU A 43 0.315 -6.791 1.187 1.00 0.00 C ATOM 585 CD2 LEU A 43 -0.773 -8.592 2.539 1.00 0.00 C ATOM 0 H LEU A 43 2.107 -9.657 3.970 1.00 0.00 H new ATOM 0 HA LEU A 43 0.370 -10.712 1.908 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.548 -8.593 1.888 1.00 0.00 H new ATOM 0 HB3 LEU A 43 1.466 -8.932 0.552 1.00 0.00 H new ATOM 0 HG LEU A 43 0.959 -7.479 3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.399 -6.076 1.596 1.00 0.00 H new ATOM 0 HD12 LEU A 43 1.259 -6.286 0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.079 -7.207 0.260 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.472 -7.853 2.930 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.193 -9.052 1.645 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.597 -9.359 3.293 1.00 0.00 H new ATOM 596 N PRO A 44 2.021 -11.696 0.197 1.00 0.00 N ATOM 597 CA PRO A 44 2.870 -12.573 -0.615 1.00 0.00 C ATOM 598 C PRO A 44 4.129 -11.868 -1.108 1.00 0.00 C ATOM 599 O PRO A 44 5.235 -12.401 -1.000 1.00 0.00 O ATOM 600 CB PRO A 44 1.968 -12.945 -1.795 1.00 0.00 C ATOM 601 CG PRO A 44 0.996 -11.821 -1.898 1.00 0.00 C ATOM 602 CD PRO A 44 0.769 -11.340 -0.491 1.00 0.00 C ATOM 0 HA PRO A 44 3.230 -13.432 -0.048 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.544 -13.056 -2.714 1.00 0.00 H new ATOM 0 HB3 PRO A 44 1.460 -13.893 -1.621 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.389 -11.021 -2.525 1.00 0.00 H new ATOM 0 HG3 PRO A 44 0.062 -12.153 -2.353 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.584 -10.266 -0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.093 -11.826 -0.034 1.00 0.00 H new ATOM 607 N LEU A 45 3.956 -10.666 -1.648 1.00 0.00 N ATOM 608 CA LEU A 45 5.078 -9.887 -2.158 1.00 0.00 C ATOM 609 C LEU A 45 6.208 -9.826 -1.133 1.00 0.00 C ATOM 610 O LEU A 45 5.981 -9.692 0.069 1.00 0.00 O ATOM 611 CB LEU A 45 4.621 -8.472 -2.516 1.00 0.00 C ATOM 612 CG LEU A 45 3.494 -8.371 -3.544 1.00 0.00 C ATOM 613 CD1 LEU A 45 3.654 -7.116 -4.389 1.00 0.00 C ATOM 614 CD2 LEU A 45 3.465 -9.610 -4.427 1.00 0.00 C ATOM 0 H LEU A 45 3.049 -10.210 -1.744 1.00 0.00 H new ATOM 0 HA LEU A 45 5.452 -10.379 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 45 4.298 -7.974 -1.602 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.481 -7.919 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 45 2.546 -8.307 -3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.843 -7.061 -5.115 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.625 -6.237 -3.745 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.609 -7.150 -4.913 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.657 -9.521 -5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 45 4.415 -9.705 -4.952 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.302 -10.493 -3.809 1.00 0.00 H new ATOM 625 N PRO A 46 7.454 -9.923 -1.620 1.00 0.00 N ATOM 626 CA PRO A 46 8.643 -9.879 -0.764 1.00 0.00 C ATOM 627 C PRO A 46 8.878 -8.494 -0.171 1.00 0.00 C ATOM 628 O PRO A 46 8.036 -7.606 -0.290 1.00 0.00 O ATOM 629 CB PRO A 46 9.780 -10.252 -1.718 1.00 0.00 C ATOM 630 CG PRO A 46 9.285 -9.864 -3.069 1.00 0.00 C ATOM 631 CD PRO A 46 7.798 -10.085 -3.043 1.00 0.00 C ATOM 0 HA PRO A 46 8.553 -10.545 0.094 1.00 0.00 H new ATOM 0 HB2 PRO A 46 10.698 -9.722 -1.466 1.00 0.00 H new ATOM 0 HB3 PRO A 46 10.004 -11.318 -1.670 1.00 0.00 H new ATOM 0 HG2 PRO A 46 9.521 -8.822 -3.287 1.00 0.00 H new ATOM 0 HG3 PRO A 46 9.756 -10.467 -3.845 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.273 -9.362 -3.668 1.00 0.00 H new ATOM 0 HD3 PRO A 46 7.533 -11.076 -3.410 1.00 0.00 H new ATOM 636 N GLY A 47 10.030 -8.317 0.470 1.00 0.00 N ATOM 637 CA GLY A 47 10.355 -7.038 1.073 1.00 0.00 C ATOM 638 C GLY A 47 10.869 -6.034 0.060 1.00 0.00 C ATOM 639 O GLY A 47 10.521 -4.854 0.113 1.00 0.00 O ATOM 0 H GLY A 47 10.744 -9.037 0.582 1.00 0.00 H new ATOM 0 HA2 GLY A 47 9.468 -6.635 1.562 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.107 -7.186 1.848 1.00 0.00 H new ATOM 643 N TYR A 48 11.701 -6.501 -0.865 1.00 0.00 N ATOM 644 CA TYR A 48 12.267 -5.635 -1.891 1.00 0.00 C ATOM 645 C TYR A 48 11.185 -5.150 -2.852 1.00 0.00 C ATOM 646 O TYR A 48 11.226 -4.016 -3.330 1.00 0.00 O ATOM 647 CB TYR A 48 13.358 -6.375 -2.668 1.00 0.00 C ATOM 648 CG TYR A 48 12.837 -7.526 -3.497 1.00 0.00 C ATOM 649 CD1 TYR A 48 12.334 -7.315 -4.775 1.00 0.00 C ATOM 650 CD2 TYR A 48 12.847 -8.825 -3.003 1.00 0.00 C ATOM 651 CE1 TYR A 48 11.856 -8.364 -5.536 1.00 0.00 C ATOM 652 CE2 TYR A 48 12.372 -9.879 -3.758 1.00 0.00 C ATOM 653 CZ TYR A 48 11.878 -9.645 -5.024 1.00 0.00 C ATOM 654 OH TYR A 48 11.403 -10.694 -5.778 1.00 0.00 O ATOM 0 H TYR A 48 11.998 -7.475 -0.925 1.00 0.00 H new ATOM 0 HA TYR A 48 12.705 -4.768 -1.397 1.00 0.00 H new ATOM 0 HB2 TYR A 48 13.868 -5.669 -3.323 1.00 0.00 H new ATOM 0 HB3 TYR A 48 14.101 -6.752 -1.965 1.00 0.00 H new ATOM 0 HD1 TYR A 48 12.316 -6.314 -5.180 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.233 -9.013 -2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 48 11.467 -8.182 -6.527 1.00 0.00 H new ATOM 0 HE2 TYR A 48 12.387 -10.882 -3.359 1.00 0.00 H new ATOM 0 HH TYR A 48 11.491 -11.528 -5.271 1.00 0.00 H new ATOM 663 N ARG A 49 10.216 -6.017 -3.130 1.00 0.00 N ATOM 664 CA ARG A 49 9.123 -5.678 -4.033 1.00 0.00 C ATOM 665 C ARG A 49 8.395 -4.424 -3.558 1.00 0.00 C ATOM 666 O ARG A 49 8.178 -3.489 -4.330 1.00 0.00 O ATOM 667 CB ARG A 49 8.138 -6.844 -4.136 1.00 0.00 C ATOM 668 CG ARG A 49 8.350 -7.714 -5.365 1.00 0.00 C ATOM 669 CD ARG A 49 7.179 -7.610 -6.329 1.00 0.00 C ATOM 670 NE ARG A 49 6.597 -8.916 -6.625 1.00 0.00 N ATOM 671 CZ ARG A 49 7.210 -9.847 -7.348 1.00 0.00 C ATOM 672 NH1 ARG A 49 8.415 -9.616 -7.847 1.00 0.00 N ATOM 673 NH2 ARG A 49 6.615 -11.011 -7.574 1.00 0.00 N ATOM 0 H ARG A 49 10.166 -6.959 -2.743 1.00 0.00 H new ATOM 0 HA ARG A 49 9.546 -5.481 -5.018 1.00 0.00 H new ATOM 0 HB2 ARG A 49 8.226 -7.463 -3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.122 -6.450 -4.151 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.267 -7.413 -5.871 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.480 -8.752 -5.059 1.00 0.00 H new ATOM 0 HD2 ARG A 49 6.415 -6.961 -5.902 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.513 -7.143 -7.256 1.00 0.00 H new ATOM 0 HE ARG A 49 5.669 -9.125 -6.257 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.875 -8.722 -7.677 1.00 0.00 H new ATOM 0 HH12 ARG A 49 8.883 -10.333 -8.402 1.00 0.00 H new ATOM 0 HH21 ARG A 49 5.686 -11.192 -7.193 1.00 0.00 H new ATOM 0 HH22 ARG A 49 7.086 -11.725 -8.129 1.00 0.00 H new ATOM 684 N VAL A 50 8.019 -4.411 -2.283 1.00 0.00 N ATOM 685 CA VAL A 50 7.315 -3.272 -1.706 1.00 0.00 C ATOM 686 C VAL A 50 8.181 -2.018 -1.736 1.00 0.00 C ATOM 687 O VAL A 50 7.799 -1.002 -2.316 1.00 0.00 O ATOM 688 CB VAL A 50 6.890 -3.553 -0.252 1.00 0.00 C ATOM 689 CG1 VAL A 50 6.036 -2.415 0.285 1.00 0.00 C ATOM 690 CG2 VAL A 50 6.146 -4.878 -0.162 1.00 0.00 C ATOM 0 H VAL A 50 8.190 -5.176 -1.630 1.00 0.00 H new ATOM 0 HA VAL A 50 6.424 -3.110 -2.313 1.00 0.00 H new ATOM 0 HB VAL A 50 7.787 -3.623 0.364 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.746 -2.632 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.607 -1.487 0.257 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.142 -2.309 -0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.853 -5.061 0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 50 5.256 -4.839 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 50 6.796 -5.684 -0.503 1.00 0.00 H new ATOM 700 N ARG A 51 9.350 -2.097 -1.109 1.00 0.00 N ATOM 701 CA ARG A 51 10.271 -0.968 -1.063 1.00 0.00 C ATOM 702 C ARG A 51 10.563 -0.448 -2.468 1.00 0.00 C ATOM 703 O ARG A 51 10.628 0.761 -2.691 1.00 0.00 O ATOM 704 CB ARG A 51 11.577 -1.374 -0.377 1.00 0.00 C ATOM 705 CG ARG A 51 12.628 -0.277 -0.373 1.00 0.00 C ATOM 706 CD ARG A 51 13.937 -0.759 -0.980 1.00 0.00 C ATOM 707 NE ARG A 51 14.416 0.139 -2.029 1.00 0.00 N ATOM 708 CZ ARG A 51 15.602 0.017 -2.614 1.00 0.00 C ATOM 709 NH1 ARG A 51 16.426 -0.958 -2.256 1.00 0.00 N ATOM 710 NH2 ARG A 51 15.967 0.873 -3.560 1.00 0.00 N ATOM 0 H ARG A 51 9.682 -2.932 -0.626 1.00 0.00 H new ATOM 0 HA ARG A 51 9.800 -0.171 -0.488 1.00 0.00 H new ATOM 0 HB2 ARG A 51 11.363 -1.664 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 51 11.983 -2.253 -0.878 1.00 0.00 H new ATOM 0 HG2 ARG A 51 12.261 0.583 -0.933 1.00 0.00 H new ATOM 0 HG3 ARG A 51 12.801 0.059 0.649 1.00 0.00 H new ATOM 0 HD2 ARG A 51 14.692 -0.839 -0.198 1.00 0.00 H new ATOM 0 HD3 ARG A 51 13.799 -1.758 -1.393 1.00 0.00 H new ATOM 0 HE ARG A 51 13.807 0.900 -2.328 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.150 -1.618 -1.529 1.00 0.00 H new ATOM 0 HH12 ARG A 51 17.336 -1.048 -2.708 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.337 1.625 -3.838 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.878 0.779 -4.009 1.00 0.00 H new ATOM 721 N GLU A 52 10.738 -1.369 -3.411 1.00 0.00 N ATOM 722 CA GLU A 52 11.024 -1.003 -4.792 1.00 0.00 C ATOM 723 C GLU A 52 9.825 -0.307 -5.431 1.00 0.00 C ATOM 724 O GLU A 52 9.954 0.779 -5.997 1.00 0.00 O ATOM 725 CB GLU A 52 11.400 -2.243 -5.605 1.00 0.00 C ATOM 726 CG GLU A 52 11.885 -1.927 -7.010 1.00 0.00 C ATOM 727 CD GLU A 52 12.875 -0.779 -7.041 1.00 0.00 C ATOM 728 OE1 GLU A 52 12.483 0.331 -7.460 1.00 0.00 O ATOM 729 OE2 GLU A 52 14.040 -0.989 -6.646 1.00 0.00 O ATOM 0 H GLU A 52 10.687 -2.374 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 52 11.865 -0.310 -4.789 1.00 0.00 H new ATOM 0 HB2 GLU A 52 12.179 -2.791 -5.076 1.00 0.00 H new ATOM 0 HB3 GLU A 52 10.534 -2.902 -5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.350 -2.815 -7.438 1.00 0.00 H new ATOM 0 HG3 GLU A 52 11.029 -1.681 -7.639 1.00 0.00 H new ATOM 734 N ILE A 53 8.661 -0.941 -5.335 1.00 0.00 N ATOM 735 CA ILE A 53 7.440 -0.384 -5.902 1.00 0.00 C ATOM 736 C ILE A 53 7.240 1.063 -5.462 1.00 0.00 C ATOM 737 O ILE A 53 6.742 1.893 -6.222 1.00 0.00 O ATOM 738 CB ILE A 53 6.204 -1.208 -5.497 1.00 0.00 C ATOM 739 CG1 ILE A 53 6.224 -2.573 -6.189 1.00 0.00 C ATOM 740 CG2 ILE A 53 4.928 -0.453 -5.839 1.00 0.00 C ATOM 741 CD1 ILE A 53 5.508 -3.655 -5.413 1.00 0.00 C ATOM 0 H ILE A 53 8.538 -1.840 -4.870 1.00 0.00 H new ATOM 0 HA ILE A 53 7.550 -0.420 -6.986 1.00 0.00 H new ATOM 0 HB ILE A 53 6.230 -1.368 -4.419 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.765 -2.479 -7.173 1.00 0.00 H new ATOM 0 HG13 ILE A 53 7.259 -2.876 -6.348 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.063 -1.049 -5.547 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.912 0.496 -5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.893 -0.265 -6.912 1.00 0.00 H new ATOM 0 HD11 ILE A 53 5.563 -4.594 -5.963 1.00 0.00 H new ATOM 0 HD12 ILE A 53 5.981 -3.777 -4.439 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.464 -3.375 -5.277 1.00 0.00 H new ATOM 752 N THR A 54 7.631 1.359 -4.226 1.00 0.00 N ATOM 753 CA THR A 54 7.496 2.704 -3.683 1.00 0.00 C ATOM 754 C THR A 54 8.521 3.651 -4.297 1.00 0.00 C ATOM 755 O THR A 54 8.165 4.694 -4.843 1.00 0.00 O ATOM 756 CB THR A 54 7.660 2.711 -2.152 1.00 0.00 C ATOM 757 OG1 THR A 54 8.125 1.433 -1.702 1.00 0.00 O ATOM 758 CG2 THR A 54 6.343 3.047 -1.468 1.00 0.00 C ATOM 0 H THR A 54 8.044 0.684 -3.582 1.00 0.00 H new ATOM 0 HA THR A 54 6.492 3.047 -3.935 1.00 0.00 H new ATOM 0 HB THR A 54 8.392 3.475 -1.891 1.00 0.00 H new ATOM 0 HG1 THR A 54 7.478 0.742 -1.955 1.00 0.00 H new ATOM 0 HG21 THR A 54 6.484 3.046 -0.387 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.007 4.033 -1.789 1.00 0.00 H new ATOM 0 HG23 THR A 54 5.593 2.303 -1.737 1.00 0.00 H new ATOM 766 N GLU A 55 9.794 3.278 -4.203 1.00 0.00 N ATOM 767 CA GLU A 55 10.870 4.096 -4.750 1.00 0.00 C ATOM 768 C GLU A 55 10.604 4.438 -6.213 1.00 0.00 C ATOM 769 O GLU A 55 10.949 5.523 -6.682 1.00 0.00 O ATOM 770 CB GLU A 55 12.210 3.369 -4.620 1.00 0.00 C ATOM 771 CG GLU A 55 13.202 4.078 -3.714 1.00 0.00 C ATOM 772 CD GLU A 55 14.357 4.694 -4.482 1.00 0.00 C ATOM 773 OE1 GLU A 55 14.944 3.992 -5.331 1.00 0.00 O ATOM 774 OE2 GLU A 55 14.671 5.876 -4.232 1.00 0.00 O ATOM 0 H GLU A 55 10.105 2.416 -3.754 1.00 0.00 H new ATOM 0 HA GLU A 55 10.912 5.024 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 55 12.033 2.365 -4.235 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.651 3.258 -5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 55 12.685 4.858 -3.155 1.00 0.00 H new ATOM 0 HG3 GLU A 55 13.593 3.369 -2.984 1.00 0.00 H new ATOM 779 N ASN A 56 9.989 3.503 -6.931 1.00 0.00 N ATOM 780 CA ASN A 56 9.678 3.704 -8.341 1.00 0.00 C ATOM 781 C ASN A 56 8.359 4.452 -8.506 1.00 0.00 C ATOM 782 O ASN A 56 8.174 5.203 -9.465 1.00 0.00 O ATOM 783 CB ASN A 56 9.608 2.358 -9.066 1.00 0.00 C ATOM 784 CG ASN A 56 9.726 2.505 -10.571 1.00 0.00 C ATOM 785 OD1 ASN A 56 8.935 3.208 -11.201 1.00 0.00 O ATOM 786 ND2 ASN A 56 10.716 1.840 -11.154 1.00 0.00 N ATOM 0 H ASN A 56 9.697 2.599 -6.559 1.00 0.00 H new ATOM 0 HA ASN A 56 10.474 4.305 -8.781 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.407 1.711 -8.703 1.00 0.00 H new ATOM 0 HB3 ASN A 56 8.665 1.867 -8.824 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.845 1.900 -12.164 1.00 0.00 H new ATOM 0 HD22 ASN A 56 11.348 1.269 -10.592 1.00 0.00 H new ATOM 792 N LEU A 57 7.445 4.243 -7.565 1.00 0.00 N ATOM 793 CA LEU A 57 6.142 4.897 -7.605 1.00 0.00 C ATOM 794 C LEU A 57 6.291 6.413 -7.508 1.00 0.00 C ATOM 795 O LEU A 57 5.953 7.141 -8.440 1.00 0.00 O ATOM 796 CB LEU A 57 5.258 4.387 -6.466 1.00 0.00 C ATOM 797 CG LEU A 57 4.215 3.335 -6.847 1.00 0.00 C ATOM 798 CD1 LEU A 57 3.351 2.982 -5.646 1.00 0.00 C ATOM 799 CD2 LEU A 57 3.353 3.831 -7.999 1.00 0.00 C ATOM 0 H LEU A 57 7.582 3.626 -6.765 1.00 0.00 H new ATOM 0 HA LEU A 57 5.671 4.656 -8.558 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.902 3.968 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.741 5.239 -6.024 1.00 0.00 H new ATOM 0 HG LEU A 57 4.736 2.435 -7.172 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.615 2.232 -5.935 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.980 2.584 -4.850 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.838 3.876 -5.291 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.617 3.070 -8.257 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.840 4.746 -7.702 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.984 4.033 -8.865 1.00 0.00 H new ATOM 810 N MET A 58 6.802 6.881 -6.373 1.00 0.00 N ATOM 811 CA MET A 58 6.999 8.309 -6.156 1.00 0.00 C ATOM 812 C MET A 58 8.034 8.869 -7.127 1.00 0.00 C ATOM 813 O MET A 58 8.173 10.083 -7.269 1.00 0.00 O ATOM 814 CB MET A 58 7.441 8.571 -4.715 1.00 0.00 C ATOM 815 CG MET A 58 8.441 7.552 -4.190 1.00 0.00 C ATOM 816 SD MET A 58 9.903 8.323 -3.470 1.00 0.00 S ATOM 817 CE MET A 58 10.095 7.352 -1.977 1.00 0.00 C ATOM 0 H MET A 58 7.087 6.292 -5.590 1.00 0.00 H new ATOM 0 HA MET A 58 6.049 8.813 -6.335 1.00 0.00 H new ATOM 0 HB2 MET A 58 7.883 9.566 -4.654 1.00 0.00 H new ATOM 0 HB3 MET A 58 6.563 8.572 -4.069 1.00 0.00 H new ATOM 0 HG2 MET A 58 7.957 6.927 -3.439 1.00 0.00 H new ATOM 0 HG3 MET A 58 8.745 6.894 -5.004 1.00 0.00 H new ATOM 0 HE1 MET A 58 11.155 7.244 -1.747 1.00 0.00 H new ATOM 0 HE2 MET A 58 9.594 7.854 -1.149 1.00 0.00 H new ATOM 0 HE3 MET A 58 9.653 6.367 -2.125 1.00 0.00 H new ATOM 825 N ALA A 59 8.759 7.975 -7.792 1.00 0.00 N ATOM 826 CA ALA A 59 9.780 8.381 -8.750 1.00 0.00 C ATOM 827 C ALA A 59 9.246 9.443 -9.706 1.00 0.00 C ATOM 828 O ALA A 59 10.009 10.238 -10.256 1.00 0.00 O ATOM 829 CB ALA A 59 10.283 7.173 -9.528 1.00 0.00 C ATOM 0 H ALA A 59 8.658 6.966 -7.685 1.00 0.00 H new ATOM 0 HA ALA A 59 10.612 8.815 -8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 59 11.045 7.490 -10.240 1.00 0.00 H new ATOM 0 HB2 ALA A 59 10.712 6.448 -8.837 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.453 6.715 -10.065 1.00 0.00 H new ATOM 835 N THR A 60 7.931 9.450 -9.898 1.00 0.00 N ATOM 836 CA THR A 60 7.295 10.414 -10.789 1.00 0.00 C ATOM 837 C THR A 60 6.240 11.230 -10.051 1.00 0.00 C ATOM 838 O THR A 60 5.100 11.342 -10.500 1.00 0.00 O ATOM 839 CB THR A 60 6.637 9.715 -11.993 1.00 0.00 C ATOM 840 OG1 THR A 60 6.037 8.483 -11.578 1.00 0.00 O ATOM 841 CG2 THR A 60 7.659 9.444 -13.087 1.00 0.00 C ATOM 0 H THR A 60 7.286 8.800 -9.449 1.00 0.00 H new ATOM 0 HA THR A 60 8.080 11.079 -11.149 1.00 0.00 H new ATOM 0 HB THR A 60 5.868 10.376 -12.392 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.266 8.672 -11.003 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.171 8.950 -13.927 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.092 10.387 -13.422 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.448 8.801 -12.697 1.00 0.00 H new ATOM 849 N GLY A 61 6.628 11.802 -8.915 1.00 0.00 N ATOM 850 CA GLY A 61 5.704 12.603 -8.134 1.00 0.00 C ATOM 851 C GLY A 61 4.393 11.888 -7.874 1.00 0.00 C ATOM 852 O GLY A 61 3.319 12.446 -8.096 1.00 0.00 O ATOM 0 H GLY A 61 7.566 11.725 -8.522 1.00 0.00 H new ATOM 0 HA2 GLY A 61 6.168 12.862 -7.182 1.00 0.00 H new ATOM 0 HA3 GLY A 61 5.506 13.538 -8.658 1.00 0.00 H new ATOM 856 N ASP A 62 4.481 10.648 -7.405 1.00 0.00 N ATOM 857 CA ASP A 62 3.293 9.854 -7.115 1.00 0.00 C ATOM 858 C ASP A 62 2.931 9.938 -5.635 1.00 0.00 C ATOM 859 O ASP A 62 1.798 10.268 -5.280 1.00 0.00 O ATOM 860 CB ASP A 62 3.517 8.395 -7.516 1.00 0.00 C ATOM 861 CG ASP A 62 3.425 8.186 -9.014 1.00 0.00 C ATOM 862 OD1 ASP A 62 3.504 9.186 -9.760 1.00 0.00 O ATOM 863 OD2 ASP A 62 3.274 7.023 -9.442 1.00 0.00 O ATOM 0 H ASP A 62 5.363 10.171 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 62 2.465 10.259 -7.697 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.498 8.072 -7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.778 7.767 -7.018 1.00 0.00 H new ATOM 867 N LEU A 63 3.898 9.636 -4.777 1.00 0.00 N ATOM 868 CA LEU A 63 3.682 9.676 -3.335 1.00 0.00 C ATOM 869 C LEU A 63 4.182 10.991 -2.745 1.00 0.00 C ATOM 870 O LEU A 63 3.748 11.406 -1.671 1.00 0.00 O ATOM 871 CB LEU A 63 4.388 8.499 -2.660 1.00 0.00 C ATOM 872 CG LEU A 63 4.011 7.108 -3.169 1.00 0.00 C ATOM 873 CD1 LEU A 63 3.586 7.170 -4.629 1.00 0.00 C ATOM 874 CD2 LEU A 63 5.173 6.141 -2.991 1.00 0.00 C ATOM 0 H LEU A 63 4.840 9.361 -5.055 1.00 0.00 H new ATOM 0 HA LEU A 63 2.610 9.602 -3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.463 8.629 -2.781 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.180 8.541 -1.591 1.00 0.00 H new ATOM 0 HG LEU A 63 3.168 6.744 -2.581 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.321 6.170 -4.974 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.723 7.829 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.409 7.556 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.886 5.156 -3.359 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.035 6.501 -3.552 1.00 0.00 H new ATOM 0 HD23 LEU A 63 5.431 6.073 -1.934 1.00 0.00 H new ATOM 885 N ASP A 64 5.097 11.641 -3.456 1.00 0.00 N ATOM 886 CA ASP A 64 5.654 12.911 -3.005 1.00 0.00 C ATOM 887 C ASP A 64 4.592 14.007 -3.018 1.00 0.00 C ATOM 888 O ASP A 64 4.743 15.037 -2.363 1.00 0.00 O ATOM 889 CB ASP A 64 6.834 13.317 -3.889 1.00 0.00 C ATOM 890 CG ASP A 64 8.139 12.695 -3.434 1.00 0.00 C ATOM 891 OD1 ASP A 64 8.605 13.036 -2.327 1.00 0.00 O ATOM 892 OD2 ASP A 64 8.695 11.866 -4.185 1.00 0.00 O ATOM 0 H ASP A 64 5.468 11.310 -4.346 1.00 0.00 H new ATOM 0 HA ASP A 64 6.004 12.782 -1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.632 13.020 -4.918 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.931 14.403 -3.884 1.00 0.00 H new ATOM 896 N GLN A 65 3.520 13.775 -3.769 1.00 0.00 N ATOM 897 CA GLN A 65 2.434 14.743 -3.868 1.00 0.00 C ATOM 898 C GLN A 65 1.968 15.183 -2.484 1.00 0.00 C ATOM 899 O GLN A 65 1.625 16.347 -2.276 1.00 0.00 O ATOM 900 CB GLN A 65 1.261 14.147 -4.649 1.00 0.00 C ATOM 901 CG GLN A 65 0.410 13.189 -3.831 1.00 0.00 C ATOM 902 CD GLN A 65 -0.809 12.699 -4.588 1.00 0.00 C ATOM 903 OE1 GLN A 65 -0.769 12.527 -5.807 1.00 0.00 O ATOM 904 NE2 GLN A 65 -1.901 12.471 -3.868 1.00 0.00 N ATOM 0 H GLN A 65 3.380 12.926 -4.317 1.00 0.00 H new ATOM 0 HA GLN A 65 2.808 15.618 -4.400 1.00 0.00 H new ATOM 0 HB2 GLN A 65 0.631 14.957 -5.016 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.646 13.622 -5.523 1.00 0.00 H new ATOM 0 HG2 GLN A 65 1.017 12.333 -3.534 1.00 0.00 H new ATOM 0 HG3 GLN A 65 0.089 13.686 -2.915 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -1.889 12.627 -2.860 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -2.752 12.140 -4.323 1.00 0.00 H new ATOM 911 N ASP A 66 1.959 14.246 -1.543 1.00 0.00 N ATOM 912 CA ASP A 66 1.535 14.536 -0.179 1.00 0.00 C ATOM 913 C ASP A 66 2.463 13.870 0.832 1.00 0.00 C ATOM 914 O ASP A 66 2.219 13.914 2.037 1.00 0.00 O ATOM 915 CB ASP A 66 0.097 14.066 0.043 1.00 0.00 C ATOM 916 CG ASP A 66 -0.769 15.132 0.686 1.00 0.00 C ATOM 917 OD1 ASP A 66 -0.302 15.772 1.653 1.00 0.00 O ATOM 918 OD2 ASP A 66 -1.910 15.328 0.221 1.00 0.00 O ATOM 0 H ASP A 66 2.241 13.278 -1.700 1.00 0.00 H new ATOM 0 HA ASP A 66 1.582 15.615 -0.033 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -0.339 13.776 -0.913 1.00 0.00 H new ATOM 0 HB3 ASP A 66 0.102 13.177 0.674 1.00 0.00 H new ATOM 922 N GLY A 67 3.529 13.251 0.331 1.00 0.00 N ATOM 923 CA GLY A 67 4.476 12.583 1.204 1.00 0.00 C ATOM 924 C GLY A 67 3.845 11.445 1.982 1.00 0.00 C ATOM 925 O GLY A 67 4.416 10.962 2.960 1.00 0.00 O ATOM 0 H GLY A 67 3.753 13.201 -0.663 1.00 0.00 H new ATOM 0 HA2 GLY A 67 5.304 12.197 0.609 1.00 0.00 H new ATOM 0 HA3 GLY A 67 4.895 13.308 1.902 1.00 0.00 H new ATOM 929 N ARG A 68 2.664 11.016 1.547 1.00 0.00 N ATOM 930 CA ARG A 68 1.955 9.930 2.212 1.00 0.00 C ATOM 931 C ARG A 68 1.530 8.863 1.207 1.00 0.00 C ATOM 932 O ARG A 68 1.887 8.929 0.030 1.00 0.00 O ATOM 933 CB ARG A 68 0.727 10.471 2.948 1.00 0.00 C ATOM 934 CG ARG A 68 0.954 11.824 3.600 1.00 0.00 C ATOM 935 CD ARG A 68 0.323 11.890 4.981 1.00 0.00 C ATOM 936 NE ARG A 68 1.121 12.687 5.910 1.00 0.00 N ATOM 937 CZ ARG A 68 1.130 14.014 5.920 1.00 0.00 C ATOM 938 NH1 ARG A 68 0.388 14.692 5.055 1.00 0.00 N ATOM 939 NH2 ARG A 68 1.882 14.668 6.797 1.00 0.00 N ATOM 0 H ARG A 68 2.179 11.404 0.738 1.00 0.00 H new ATOM 0 HA ARG A 68 2.632 9.475 2.934 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.102 10.551 2.244 1.00 0.00 H new ATOM 0 HB3 ARG A 68 0.428 9.754 3.713 1.00 0.00 H new ATOM 0 HG2 ARG A 68 2.024 12.016 3.678 1.00 0.00 H new ATOM 0 HG3 ARG A 68 0.535 12.608 2.969 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -0.677 12.317 4.903 1.00 0.00 H new ATOM 0 HD3 ARG A 68 0.208 10.880 5.376 1.00 0.00 H new ATOM 0 HE ARG A 68 1.703 12.196 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -0.192 14.194 4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 68 0.397 15.712 5.065 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.454 14.151 7.464 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.888 15.688 6.803 1.00 0.00 H new ATOM 950 N ILE A 69 0.769 7.883 1.680 1.00 0.00 N ATOM 951 CA ILE A 69 0.295 6.803 0.823 1.00 0.00 C ATOM 952 C ILE A 69 -1.097 6.341 1.238 1.00 0.00 C ATOM 953 O ILE A 69 -1.266 5.694 2.271 1.00 0.00 O ATOM 954 CB ILE A 69 1.254 5.597 0.855 1.00 0.00 C ATOM 955 CG1 ILE A 69 2.692 6.055 0.600 1.00 0.00 C ATOM 956 CG2 ILE A 69 0.833 4.558 -0.173 1.00 0.00 C ATOM 957 CD1 ILE A 69 3.712 4.945 0.734 1.00 0.00 C ATOM 0 H ILE A 69 0.467 7.814 2.652 1.00 0.00 H new ATOM 0 HA ILE A 69 0.256 7.200 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 69 1.208 5.140 1.844 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.758 6.479 -0.402 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.940 6.852 1.300 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.520 3.713 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -0.177 4.214 0.050 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.854 5.002 -1.168 1.00 0.00 H new ATOM 0 HD11 ILE A 69 4.709 5.341 0.540 1.00 0.00 H new ATOM 0 HD12 ILE A 69 3.674 4.536 1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.489 4.157 0.015 1.00 0.00 H new ATOM 968 N SER A 70 -2.093 6.678 0.424 1.00 0.00 N ATOM 969 CA SER A 70 -3.473 6.300 0.708 1.00 0.00 C ATOM 970 C SER A 70 -3.693 4.812 0.450 1.00 0.00 C ATOM 971 O SER A 70 -2.984 4.198 -0.349 1.00 0.00 O ATOM 972 CB SER A 70 -4.436 7.125 -0.147 1.00 0.00 C ATOM 973 OG SER A 70 -3.780 7.657 -1.286 1.00 0.00 O ATOM 0 H SER A 70 -1.970 7.212 -0.437 1.00 0.00 H new ATOM 0 HA SER A 70 -3.670 6.501 1.761 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.272 6.501 -0.463 1.00 0.00 H new ATOM 0 HB3 SER A 70 -4.852 7.937 0.449 1.00 0.00 H new ATOM 0 HG SER A 70 -3.450 8.557 -1.083 1.00 0.00 H new ATOM 978 N PHE A 71 -4.679 4.240 1.131 1.00 0.00 N ATOM 979 CA PHE A 71 -4.992 2.823 0.977 1.00 0.00 C ATOM 980 C PHE A 71 -5.105 2.448 -0.497 1.00 0.00 C ATOM 981 O PHE A 71 -4.700 1.359 -0.905 1.00 0.00 O ATOM 982 CB PHE A 71 -6.298 2.487 1.701 1.00 0.00 C ATOM 983 CG PHE A 71 -6.543 1.012 1.841 1.00 0.00 C ATOM 984 CD1 PHE A 71 -5.489 0.139 2.061 1.00 0.00 C ATOM 985 CD2 PHE A 71 -7.827 0.497 1.751 1.00 0.00 C ATOM 986 CE1 PHE A 71 -5.711 -1.219 2.191 1.00 0.00 C ATOM 987 CE2 PHE A 71 -8.055 -0.859 1.879 1.00 0.00 C ATOM 988 CZ PHE A 71 -6.996 -1.718 2.099 1.00 0.00 C ATOM 0 H PHE A 71 -5.275 4.734 1.795 1.00 0.00 H new ATOM 0 HA PHE A 71 -4.179 2.247 1.419 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.282 2.940 2.692 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.130 2.936 1.159 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -4.483 0.524 2.132 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -8.659 1.164 1.579 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.882 -1.889 2.364 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.060 -1.247 1.807 1.00 0.00 H new ATOM 0 HZ PHE A 71 -7.172 -2.779 2.199 1.00 0.00 H new ATOM 997 N ASP A 72 -5.657 3.358 -1.292 1.00 0.00 N ATOM 998 CA ASP A 72 -5.823 3.125 -2.723 1.00 0.00 C ATOM 999 C ASP A 72 -4.504 2.699 -3.360 1.00 0.00 C ATOM 1000 O ASP A 72 -4.421 1.648 -3.994 1.00 0.00 O ATOM 1001 CB ASP A 72 -6.353 4.384 -3.409 1.00 0.00 C ATOM 1002 CG ASP A 72 -7.867 4.426 -3.454 1.00 0.00 C ATOM 1003 OD1 ASP A 72 -8.417 5.282 -4.178 1.00 0.00 O ATOM 1004 OD2 ASP A 72 -8.504 3.602 -2.764 1.00 0.00 O ATOM 0 H ASP A 72 -5.997 4.264 -0.970 1.00 0.00 H new ATOM 0 HA ASP A 72 -6.546 2.320 -2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -5.984 5.264 -2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -5.961 4.433 -4.425 1.00 0.00 H new ATOM 1008 N GLU A 73 -3.476 3.524 -3.187 1.00 0.00 N ATOM 1009 CA GLU A 73 -2.161 3.232 -3.747 1.00 0.00 C ATOM 1010 C GLU A 73 -1.693 1.838 -3.341 1.00 0.00 C ATOM 1011 O GLU A 73 -1.221 1.063 -4.173 1.00 0.00 O ATOM 1012 CB GLU A 73 -1.143 4.278 -3.287 1.00 0.00 C ATOM 1013 CG GLU A 73 -0.755 5.267 -4.373 1.00 0.00 C ATOM 1014 CD GLU A 73 -1.608 6.520 -4.354 1.00 0.00 C ATOM 1015 OE1 GLU A 73 -2.498 6.645 -5.222 1.00 0.00 O ATOM 1016 OE2 GLU A 73 -1.387 7.377 -3.472 1.00 0.00 O ATOM 0 H GLU A 73 -3.528 4.398 -2.664 1.00 0.00 H new ATOM 0 HA GLU A 73 -2.242 3.266 -4.833 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -1.555 4.825 -2.439 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -0.246 3.769 -2.933 1.00 0.00 H new ATOM 0 HG2 GLU A 73 0.292 5.543 -4.250 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.845 4.785 -5.347 1.00 0.00 H new ATOM 1021 N PHE A 74 -1.826 1.527 -2.056 1.00 0.00 N ATOM 1022 CA PHE A 74 -1.415 0.227 -1.537 1.00 0.00 C ATOM 1023 C PHE A 74 -2.068 -0.904 -2.326 1.00 0.00 C ATOM 1024 O PHE A 74 -1.392 -1.823 -2.789 1.00 0.00 O ATOM 1025 CB PHE A 74 -1.780 0.107 -0.056 1.00 0.00 C ATOM 1026 CG PHE A 74 -1.638 -1.287 0.485 1.00 0.00 C ATOM 1027 CD1 PHE A 74 -2.626 -2.233 0.264 1.00 0.00 C ATOM 1028 CD2 PHE A 74 -0.518 -1.650 1.215 1.00 0.00 C ATOM 1029 CE1 PHE A 74 -2.499 -3.517 0.760 1.00 0.00 C ATOM 1030 CE2 PHE A 74 -0.385 -2.933 1.713 1.00 0.00 C ATOM 1031 CZ PHE A 74 -1.377 -3.867 1.486 1.00 0.00 C ATOM 0 H PHE A 74 -2.215 2.157 -1.355 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.333 0.146 -1.645 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.146 0.779 0.522 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.808 0.440 0.085 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -3.505 -1.964 -0.302 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.260 -0.923 1.397 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -3.276 -4.245 0.580 1.00 0.00 H new ATOM 0 HE2 PHE A 74 0.494 -3.205 2.279 1.00 0.00 H new ATOM 0 HZ PHE A 74 -1.276 -4.869 1.875 1.00 0.00 H new ATOM 1040 N ILE A 75 -3.387 -0.830 -2.475 1.00 0.00 N ATOM 1041 CA ILE A 75 -4.131 -1.846 -3.208 1.00 0.00 C ATOM 1042 C ILE A 75 -3.570 -2.031 -4.614 1.00 0.00 C ATOM 1043 O ILE A 75 -3.203 -3.139 -5.008 1.00 0.00 O ATOM 1044 CB ILE A 75 -5.626 -1.488 -3.307 1.00 0.00 C ATOM 1045 CG1 ILE A 75 -6.239 -1.380 -1.909 1.00 0.00 C ATOM 1046 CG2 ILE A 75 -6.365 -2.526 -4.137 1.00 0.00 C ATOM 1047 CD1 ILE A 75 -6.177 -2.670 -1.120 1.00 0.00 C ATOM 0 H ILE A 75 -3.962 -0.077 -2.097 1.00 0.00 H new ATOM 0 HA ILE A 75 -4.025 -2.777 -2.651 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.722 -0.521 -3.802 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -5.721 -0.599 -1.353 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -7.280 -1.069 -2.001 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.420 -2.259 -4.198 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -5.941 -2.559 -5.140 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -6.265 -3.505 -3.668 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.629 -2.519 -0.140 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.720 -3.450 -1.654 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -5.137 -2.972 -0.997 1.00 0.00 H new ATOM 1058 N LYS A 76 -3.505 -0.938 -5.367 1.00 0.00 N ATOM 1059 CA LYS A 76 -2.986 -0.978 -6.729 1.00 0.00 C ATOM 1060 C LYS A 76 -1.621 -1.656 -6.771 1.00 0.00 C ATOM 1061 O LYS A 76 -1.299 -2.365 -7.727 1.00 0.00 O ATOM 1062 CB LYS A 76 -2.881 0.440 -7.298 1.00 0.00 C ATOM 1063 CG LYS A 76 -3.130 0.515 -8.795 1.00 0.00 C ATOM 1064 CD LYS A 76 -1.852 0.288 -9.584 1.00 0.00 C ATOM 1065 CE LYS A 76 -0.936 1.501 -9.522 1.00 0.00 C ATOM 1066 NZ LYS A 76 -1.591 2.720 -10.074 1.00 0.00 N ATOM 0 H LYS A 76 -3.805 -0.014 -5.057 1.00 0.00 H new ATOM 0 HA LYS A 76 -3.679 -1.558 -7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -3.598 1.082 -6.786 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -1.889 0.836 -7.083 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -3.872 -0.231 -9.079 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -3.546 1.490 -9.047 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -1.330 -0.584 -9.190 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.098 0.070 -10.623 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.644 1.683 -8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.023 1.295 -10.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.868 3.438 -10.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.099 2.476 -10.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.264 3.098 -9.377 1.00 0.00 H new ATOM 1076 N ILE A 77 -0.823 -1.436 -5.732 1.00 0.00 N ATOM 1077 CA ILE A 77 0.506 -2.028 -5.652 1.00 0.00 C ATOM 1078 C ILE A 77 0.424 -3.528 -5.386 1.00 0.00 C ATOM 1079 O ILE A 77 1.180 -4.314 -5.958 1.00 0.00 O ATOM 1080 CB ILE A 77 1.351 -1.368 -4.546 1.00 0.00 C ATOM 1081 CG1 ILE A 77 1.602 0.104 -4.877 1.00 0.00 C ATOM 1082 CG2 ILE A 77 2.669 -2.109 -4.372 1.00 0.00 C ATOM 1083 CD1 ILE A 77 1.915 0.952 -3.663 1.00 0.00 C ATOM 0 H ILE A 77 -1.074 -0.852 -4.934 1.00 0.00 H new ATOM 0 HA ILE A 77 0.986 -1.857 -6.616 1.00 0.00 H new ATOM 0 HB ILE A 77 0.800 -1.422 -3.607 1.00 0.00 H new ATOM 0 HG12 ILE A 77 2.431 0.173 -5.582 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.723 0.511 -5.377 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.255 -1.630 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 77 2.470 -3.145 -4.096 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.227 -2.083 -5.308 1.00 0.00 H new ATOM 0 HD11 ILE A 77 2.082 1.984 -3.973 1.00 0.00 H new ATOM 0 HD12 ILE A 77 1.078 0.913 -2.966 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.812 0.571 -3.174 1.00 0.00 H new ATOM 1094 N PHE A 78 -0.500 -3.919 -4.514 1.00 0.00 N ATOM 1095 CA PHE A 78 -0.682 -5.325 -4.173 1.00 0.00 C ATOM 1096 C PHE A 78 -1.246 -6.104 -5.357 1.00 0.00 C ATOM 1097 O PHE A 78 -1.030 -7.309 -5.482 1.00 0.00 O ATOM 1098 CB PHE A 78 -1.614 -5.462 -2.967 1.00 0.00 C ATOM 1099 CG PHE A 78 -2.000 -6.882 -2.665 1.00 0.00 C ATOM 1100 CD1 PHE A 78 -3.083 -7.469 -3.300 1.00 0.00 C ATOM 1101 CD2 PHE A 78 -1.279 -7.629 -1.747 1.00 0.00 C ATOM 1102 CE1 PHE A 78 -3.441 -8.775 -3.025 1.00 0.00 C ATOM 1103 CE2 PHE A 78 -1.632 -8.937 -1.469 1.00 0.00 C ATOM 1104 CZ PHE A 78 -2.714 -9.510 -2.107 1.00 0.00 C ATOM 0 H PHE A 78 -1.134 -3.282 -4.031 1.00 0.00 H new ATOM 0 HA PHE A 78 0.293 -5.741 -3.920 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.127 -5.032 -2.091 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -2.517 -4.879 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -3.654 -6.899 -4.018 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.433 -7.185 -1.244 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -4.287 -9.221 -3.526 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.061 -9.510 -0.753 1.00 0.00 H new ATOM 0 HZ PHE A 78 -2.992 -10.531 -1.889 1.00 0.00 H new ATOM 1113 N HIS A 79 -1.973 -5.406 -6.224 1.00 0.00 N ATOM 1114 CA HIS A 79 -2.570 -6.031 -7.399 1.00 0.00 C ATOM 1115 C HIS A 79 -1.586 -6.048 -8.565 1.00 0.00 C ATOM 1116 O HIS A 79 -1.575 -6.979 -9.368 1.00 0.00 O ATOM 1117 CB HIS A 79 -3.845 -5.292 -7.804 1.00 0.00 C ATOM 1118 CG HIS A 79 -5.036 -6.188 -7.953 1.00 0.00 C ATOM 1119 ND1 HIS A 79 -5.647 -6.433 -9.164 1.00 0.00 N ATOM 1120 CD2 HIS A 79 -5.728 -6.901 -7.034 1.00 0.00 C ATOM 1121 CE1 HIS A 79 -6.664 -7.256 -8.984 1.00 0.00 C ATOM 1122 NE2 HIS A 79 -6.735 -7.556 -7.699 1.00 0.00 N ATOM 0 H HIS A 79 -2.163 -4.408 -6.135 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.821 -7.060 -7.143 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.066 -4.529 -7.057 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.671 -4.774 -8.747 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.526 -6.946 -5.974 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.325 -7.622 -9.756 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -7.425 -8.173 -7.271 1.00 0.00 H new ATOM 1129 N GLY A 80 -0.760 -5.009 -8.651 1.00 0.00 N ATOM 1130 CA GLY A 80 0.215 -4.924 -9.722 1.00 0.00 C ATOM 1131 C GLY A 80 -0.256 -4.051 -10.868 1.00 0.00 C ATOM 1132 O GLY A 80 0.396 -3.067 -11.219 1.00 0.00 O ATOM 0 H GLY A 80 -0.749 -4.225 -7.998 1.00 0.00 H new ATOM 0 HA2 GLY A 80 1.150 -4.526 -9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 80 0.427 -5.926 -10.096 1.00 0.00 H new ATOM 1136 N LEU A 81 -1.392 -4.412 -11.455 1.00 0.00 N ATOM 1137 CA LEU A 81 -1.951 -3.655 -12.571 1.00 0.00 C ATOM 1138 C LEU A 81 -3.464 -3.520 -12.433 1.00 0.00 C ATOM 1139 O LEU A 81 -4.160 -4.489 -12.128 1.00 0.00 O ATOM 1140 CB LEU A 81 -1.606 -4.335 -13.897 1.00 0.00 C ATOM 1141 CG LEU A 81 -2.424 -5.580 -14.244 1.00 0.00 C ATOM 1142 CD1 LEU A 81 -3.535 -5.233 -15.223 1.00 0.00 C ATOM 1143 CD2 LEU A 81 -1.525 -6.665 -14.819 1.00 0.00 C ATOM 0 H LEU A 81 -1.944 -5.224 -11.177 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.513 -2.657 -12.557 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.731 -3.607 -14.699 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.552 -4.611 -13.878 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.879 -5.959 -13.329 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.106 -6.131 -15.458 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.195 -4.490 -14.776 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.101 -4.829 -16.138 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.124 -7.543 -15.060 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -1.042 -6.296 -15.724 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.765 -6.934 -14.086 1.00 0.00 H new ATOM 1154 N LYS A 82 -3.968 -2.312 -12.661 1.00 0.00 N ATOM 1155 CA LYS A 82 -5.399 -2.049 -12.566 1.00 0.00 C ATOM 1156 C LYS A 82 -6.192 -3.045 -13.406 1.00 0.00 C ATOM 1157 O LYS A 82 -6.893 -3.903 -12.871 1.00 0.00 O ATOM 1158 CB LYS A 82 -5.707 -0.622 -13.023 1.00 0.00 C ATOM 1159 CG LYS A 82 -5.223 -0.315 -14.430 1.00 0.00 C ATOM 1160 CD LYS A 82 -5.694 1.052 -14.897 1.00 0.00 C ATOM 1161 CE LYS A 82 -4.633 2.117 -14.663 1.00 0.00 C ATOM 1162 NZ LYS A 82 -5.232 3.469 -14.493 1.00 0.00 N ATOM 0 H LYS A 82 -3.406 -1.499 -12.913 1.00 0.00 H new ATOM 0 HA LYS A 82 -5.696 -2.162 -11.523 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.784 -0.459 -12.975 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.246 0.080 -12.328 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -4.134 -0.354 -14.458 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -5.587 -1.080 -15.116 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -5.941 1.010 -15.958 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -6.607 1.324 -14.367 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -4.053 1.863 -13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -3.940 2.130 -15.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -4.476 4.166 -14.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -5.765 3.723 -15.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -5.874 3.464 -13.675 1.00 0.00 H new TER 1172 LYS A 82