USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 758 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.0528 (180deg=0.00639) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= -0.0455 USER MOD Single : A 11 MET CE :methyl -167:sc= -0.721 (180deg=-1.49) USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0412 USER MOD Single : A 26 ASN : amide:sc= -0.869 K(o=-0.87,f=-9.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 45:sc= 0.159 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN :FLIP amide:sc= -1.14 F(o=-1.7,f=-1.1) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 CYS SG : rot 68:sc= 0.469 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= 0.748 K(o=0.75,f=-1.7) USER MOD Single : A 58 MET CE :methyl -163:sc= -1.51 (180deg=-2.57) USER MOD Single : A 60 THR OG1 : rot -41:sc= 0.442 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 67:sc= 1.33 USER MOD Single : A 76 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0534) USER MOD Single : A 79 HIS : no HD1:sc= -1.28 K(o=-1.3,f=-2) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 133:sc= 0.0602 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 96:sc= 1.26 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= -0.328 K(o=-0.33,f=-1.7!) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0586) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 21.073 1.797 -13.591 1.00 0.00 N ATOM 2 CA MET A 1 20.086 2.702 -14.167 1.00 0.00 C ATOM 3 C MET A 1 18.709 2.047 -14.215 1.00 0.00 C ATOM 4 O MET A 1 18.594 0.842 -14.438 1.00 0.00 O ATOM 5 CB MET A 1 20.511 3.128 -15.573 1.00 0.00 C ATOM 6 CG MET A 1 21.341 4.401 -15.597 1.00 0.00 C ATOM 7 SD MET A 1 23.096 4.091 -15.321 1.00 0.00 S ATOM 8 CE MET A 1 23.358 4.975 -13.786 1.00 0.00 C ATOM 0 H1 MET A 1 22.022 2.062 -13.922 1.00 0.00 H new ATOM 0 H2 MET A 1 21.038 1.860 -12.554 1.00 0.00 H new ATOM 0 H3 MET A 1 20.864 0.822 -13.886 1.00 0.00 H new ATOM 0 HA MET A 1 20.026 3.585 -13.531 1.00 0.00 H new ATOM 0 HB2 MET A 1 21.084 2.322 -16.030 1.00 0.00 H new ATOM 0 HB3 MET A 1 19.621 3.273 -16.185 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.210 4.897 -16.559 1.00 0.00 H new ATOM 0 HG3 MET A 1 20.972 5.085 -14.833 1.00 0.00 H new ATOM 0 HE1 MET A 1 24.401 4.877 -13.483 1.00 0.00 H new ATOM 0 HE2 MET A 1 23.118 6.029 -13.928 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.715 4.558 -13.011 1.00 0.00 H new ATOM 18 N ALA A 2 17.670 2.847 -14.005 1.00 0.00 N ATOM 19 CA ALA A 2 16.302 2.345 -14.027 1.00 0.00 C ATOM 20 C ALA A 2 15.491 3.008 -15.134 1.00 0.00 C ATOM 21 O ALA A 2 15.994 3.871 -15.853 1.00 0.00 O ATOM 22 CB ALA A 2 15.636 2.567 -12.677 1.00 0.00 C ATOM 0 H ALA A 2 17.749 3.846 -13.817 1.00 0.00 H new ATOM 0 HA ALA A 2 16.338 1.275 -14.230 1.00 0.00 H new ATOM 0 HB1 ALA A 2 14.615 2.187 -12.708 1.00 0.00 H new ATOM 0 HB2 ALA A 2 16.196 2.040 -11.904 1.00 0.00 H new ATOM 0 HB3 ALA A 2 15.620 3.633 -12.450 1.00 0.00 H new ATOM 28 N ARG A 3 14.233 2.599 -15.266 1.00 0.00 N ATOM 29 CA ARG A 3 13.353 3.152 -16.288 1.00 0.00 C ATOM 30 C ARG A 3 12.088 3.731 -15.661 1.00 0.00 C ATOM 31 O ARG A 3 11.364 3.039 -14.948 1.00 0.00 O ATOM 32 CB ARG A 3 12.981 2.076 -17.310 1.00 0.00 C ATOM 33 CG ARG A 3 14.107 1.738 -18.275 1.00 0.00 C ATOM 34 CD ARG A 3 14.991 0.628 -17.732 1.00 0.00 C ATOM 35 NE ARG A 3 16.026 0.236 -18.686 1.00 0.00 N ATOM 36 CZ ARG A 3 16.995 -0.628 -18.406 1.00 0.00 C ATOM 37 NH1 ARG A 3 17.061 -1.190 -17.206 1.00 0.00 N ATOM 38 NH2 ARG A 3 17.900 -0.934 -19.327 1.00 0.00 N ATOM 0 H ARG A 3 13.801 1.887 -14.678 1.00 0.00 H new ATOM 0 HA ARG A 3 13.888 3.955 -16.795 1.00 0.00 H new ATOM 0 HB2 ARG A 3 12.684 1.171 -16.780 1.00 0.00 H new ATOM 0 HB3 ARG A 3 12.114 2.412 -17.879 1.00 0.00 H new ATOM 0 HG2 ARG A 3 13.687 1.434 -19.234 1.00 0.00 H new ATOM 0 HG3 ARG A 3 14.710 2.628 -18.459 1.00 0.00 H new ATOM 0 HD2 ARG A 3 15.459 0.958 -16.805 1.00 0.00 H new ATOM 0 HD3 ARG A 3 14.376 -0.238 -17.488 1.00 0.00 H new ATOM 0 HE ARG A 3 16.003 0.649 -19.618 1.00 0.00 H new ATOM 0 HH11 ARG A 3 16.366 -0.959 -16.496 1.00 0.00 H new ATOM 0 HH12 ARG A 3 17.806 -1.853 -16.994 1.00 0.00 H new ATOM 0 HH21 ARG A 3 17.852 -0.505 -20.251 1.00 0.00 H new ATOM 0 HH22 ARG A 3 18.644 -1.598 -19.111 1.00 0.00 H new ATOM 52 N GLY A 4 11.830 5.008 -15.932 1.00 0.00 N ATOM 53 CA GLY A 4 10.653 5.659 -15.387 1.00 0.00 C ATOM 54 C GLY A 4 9.450 5.545 -16.302 1.00 0.00 C ATOM 55 O GLY A 4 8.468 6.269 -16.141 1.00 0.00 O ATOM 0 H GLY A 4 12.415 5.602 -16.519 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.413 5.218 -14.420 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.873 6.712 -15.211 1.00 0.00 H new ATOM 59 N SER A 5 9.527 4.634 -17.268 1.00 0.00 N ATOM 60 CA SER A 5 8.439 4.433 -18.217 1.00 0.00 C ATOM 61 C SER A 5 7.403 3.462 -17.658 1.00 0.00 C ATOM 62 O SER A 5 7.454 3.091 -16.485 1.00 0.00 O ATOM 63 CB SER A 5 8.984 3.905 -19.546 1.00 0.00 C ATOM 64 OG SER A 5 9.989 4.761 -20.061 1.00 0.00 O ATOM 0 H SER A 5 10.332 4.024 -17.413 1.00 0.00 H new ATOM 0 HA SER A 5 7.956 5.395 -18.387 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.392 2.904 -19.403 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.171 3.818 -20.267 1.00 0.00 H new ATOM 0 HG SER A 5 10.322 4.401 -20.909 1.00 0.00 H new ATOM 70 N VAL A 6 6.465 3.055 -18.506 1.00 0.00 N ATOM 71 CA VAL A 6 5.417 2.126 -18.098 1.00 0.00 C ATOM 72 C VAL A 6 4.686 1.557 -19.310 1.00 0.00 C ATOM 73 O VAL A 6 4.219 2.301 -20.172 1.00 0.00 O ATOM 74 CB VAL A 6 4.395 2.806 -17.168 1.00 0.00 C ATOM 75 CG1 VAL A 6 3.727 3.978 -17.874 1.00 0.00 C ATOM 76 CG2 VAL A 6 3.359 1.801 -16.690 1.00 0.00 C ATOM 0 H VAL A 6 6.409 3.353 -19.480 1.00 0.00 H new ATOM 0 HA VAL A 6 5.905 1.315 -17.557 1.00 0.00 H new ATOM 0 HB VAL A 6 4.923 3.191 -16.296 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.008 4.446 -17.201 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.483 4.708 -18.162 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.211 3.620 -18.765 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.645 2.299 -16.034 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.833 1.384 -17.549 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.855 0.999 -16.144 1.00 0.00 H new ATOM 86 N SER A 7 4.590 0.232 -19.366 1.00 0.00 N ATOM 87 CA SER A 7 3.918 -0.439 -20.474 1.00 0.00 C ATOM 88 C SER A 7 2.406 -0.258 -20.381 1.00 0.00 C ATOM 89 O SER A 7 1.885 0.201 -19.363 1.00 0.00 O ATOM 90 CB SER A 7 4.266 -1.928 -20.483 1.00 0.00 C ATOM 91 OG SER A 7 3.840 -2.544 -21.686 1.00 0.00 O ATOM 0 H SER A 7 4.968 -0.398 -18.658 1.00 0.00 H new ATOM 0 HA SER A 7 4.264 0.012 -21.404 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.343 -2.054 -20.368 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.795 -2.420 -19.632 1.00 0.00 H new ATOM 0 HG SER A 7 4.076 -3.495 -21.668 1.00 0.00 H new ATOM 97 N ASP A 8 1.706 -0.622 -21.449 1.00 0.00 N ATOM 98 CA ASP A 8 0.253 -0.503 -21.490 1.00 0.00 C ATOM 99 C ASP A 8 -0.391 -1.330 -20.383 1.00 0.00 C ATOM 100 O ASP A 8 -1.145 -0.807 -19.562 1.00 0.00 O ATOM 101 CB ASP A 8 -0.278 -0.949 -22.852 1.00 0.00 C ATOM 102 CG ASP A 8 0.084 0.020 -23.961 1.00 0.00 C ATOM 103 OD1 ASP A 8 0.308 -0.438 -25.101 1.00 0.00 O ATOM 104 OD2 ASP A 8 0.142 1.238 -23.689 1.00 0.00 O ATOM 0 H ASP A 8 2.121 -1.003 -22.299 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.006 0.544 -21.333 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.122 -1.935 -23.090 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.362 -1.049 -22.801 1.00 0.00 H new ATOM 109 N GLU A 9 -0.089 -2.625 -20.366 1.00 0.00 N ATOM 110 CA GLU A 9 -0.642 -3.525 -19.361 1.00 0.00 C ATOM 111 C GLU A 9 -0.331 -3.023 -17.953 1.00 0.00 C ATOM 112 O GLU A 9 -1.236 -2.792 -17.152 1.00 0.00 O ATOM 113 CB GLU A 9 -0.082 -4.937 -19.546 1.00 0.00 C ATOM 114 CG GLU A 9 -0.530 -5.605 -20.835 1.00 0.00 C ATOM 115 CD GLU A 9 -2.018 -5.894 -20.857 1.00 0.00 C ATOM 116 OE1 GLU A 9 -2.397 -7.070 -20.677 1.00 0.00 O ATOM 117 OE2 GLU A 9 -2.804 -4.944 -21.055 1.00 0.00 O ATOM 0 H GLU A 9 0.535 -3.074 -21.036 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.724 -3.552 -19.489 1.00 0.00 H new ATOM 0 HB2 GLU A 9 1.007 -4.892 -19.529 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -0.388 -5.554 -18.701 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -0.276 -4.964 -21.679 1.00 0.00 H new ATOM 0 HG3 GLU A 9 0.019 -6.537 -20.966 1.00 0.00 H new ATOM 124 N GLU A 10 0.955 -2.861 -17.659 1.00 0.00 N ATOM 125 CA GLU A 10 1.385 -2.389 -16.348 1.00 0.00 C ATOM 126 C GLU A 10 0.684 -1.083 -15.984 1.00 0.00 C ATOM 127 O GLU A 10 0.099 -0.960 -14.908 1.00 0.00 O ATOM 128 CB GLU A 10 2.902 -2.190 -16.326 1.00 0.00 C ATOM 129 CG GLU A 10 3.422 -1.621 -15.015 1.00 0.00 C ATOM 130 CD GLU A 10 4.315 -2.595 -14.272 1.00 0.00 C ATOM 131 OE1 GLU A 10 5.119 -3.285 -14.933 1.00 0.00 O ATOM 132 OE2 GLU A 10 4.211 -2.666 -13.029 1.00 0.00 O ATOM 0 H GLU A 10 1.717 -3.049 -18.310 1.00 0.00 H new ATOM 0 HA GLU A 10 1.114 -3.145 -15.611 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.388 -3.147 -16.516 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.184 -1.522 -17.140 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.977 -0.705 -15.215 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.578 -1.350 -14.380 1.00 0.00 H new ATOM 139 N MET A 11 0.749 -0.111 -16.888 1.00 0.00 N ATOM 140 CA MET A 11 0.120 1.185 -16.661 1.00 0.00 C ATOM 141 C MET A 11 -1.340 1.018 -16.254 1.00 0.00 C ATOM 142 O MET A 11 -1.825 1.704 -15.356 1.00 0.00 O ATOM 143 CB MET A 11 0.215 2.048 -17.921 1.00 0.00 C ATOM 144 CG MET A 11 -0.446 3.410 -17.776 1.00 0.00 C ATOM 145 SD MET A 11 0.501 4.535 -16.732 1.00 0.00 S ATOM 146 CE MET A 11 -0.641 4.781 -15.375 1.00 0.00 C ATOM 0 H MET A 11 1.230 -0.196 -17.783 1.00 0.00 H new ATOM 0 HA MET A 11 0.650 1.681 -15.848 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.265 2.188 -18.177 1.00 0.00 H new ATOM 0 HB3 MET A 11 -0.247 1.515 -18.752 1.00 0.00 H new ATOM 0 HG2 MET A 11 -0.571 3.855 -18.763 1.00 0.00 H new ATOM 0 HG3 MET A 11 -1.443 3.282 -17.355 1.00 0.00 H new ATOM 0 HE1 MET A 11 -0.307 5.621 -14.766 1.00 0.00 H new ATOM 0 HE2 MET A 11 -1.635 4.991 -15.770 1.00 0.00 H new ATOM 0 HE3 MET A 11 -0.677 3.880 -14.762 1.00 0.00 H new ATOM 156 N MET A 12 -2.035 0.102 -16.921 1.00 0.00 N ATOM 157 CA MET A 12 -3.439 -0.156 -16.627 1.00 0.00 C ATOM 158 C MET A 12 -3.600 -0.778 -15.243 1.00 0.00 C ATOM 159 O MET A 12 -4.255 -0.209 -14.370 1.00 0.00 O ATOM 160 CB MET A 12 -4.044 -1.079 -17.686 1.00 0.00 C ATOM 161 CG MET A 12 -4.643 -0.336 -18.869 1.00 0.00 C ATOM 162 SD MET A 12 -6.271 0.348 -18.505 1.00 0.00 S ATOM 163 CE MET A 12 -6.726 1.009 -20.107 1.00 0.00 C ATOM 0 H MET A 12 -1.648 -0.474 -17.669 1.00 0.00 H new ATOM 0 HA MET A 12 -3.967 0.797 -16.642 1.00 0.00 H new ATOM 0 HB2 MET A 12 -3.272 -1.759 -18.047 1.00 0.00 H new ATOM 0 HB3 MET A 12 -4.817 -1.692 -17.223 1.00 0.00 H new ATOM 0 HG2 MET A 12 -3.972 0.470 -19.165 1.00 0.00 H new ATOM 0 HG3 MET A 12 -4.720 -1.015 -19.719 1.00 0.00 H new ATOM 0 HE1 MET A 12 -7.713 1.467 -20.045 1.00 0.00 H new ATOM 0 HE2 MET A 12 -5.996 1.759 -20.412 1.00 0.00 H new ATOM 0 HE3 MET A 12 -6.746 0.203 -20.841 1.00 0.00 H new ATOM 173 N GLU A 13 -2.998 -1.948 -15.051 1.00 0.00 N ATOM 174 CA GLU A 13 -3.076 -2.646 -13.773 1.00 0.00 C ATOM 175 C GLU A 13 -2.695 -1.718 -12.622 1.00 0.00 C ATOM 176 O GLU A 13 -3.228 -1.829 -11.518 1.00 0.00 O ATOM 177 CB GLU A 13 -2.161 -3.872 -13.779 1.00 0.00 C ATOM 178 CG GLU A 13 -2.858 -5.149 -14.214 1.00 0.00 C ATOM 179 CD GLU A 13 -1.895 -6.305 -14.403 1.00 0.00 C ATOM 180 OE1 GLU A 13 -1.027 -6.214 -15.295 1.00 0.00 O ATOM 181 OE2 GLU A 13 -2.010 -7.300 -13.657 1.00 0.00 O ATOM 0 H GLU A 13 -2.452 -2.432 -15.764 1.00 0.00 H new ATOM 0 HA GLU A 13 -4.106 -2.972 -13.628 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.319 -3.683 -14.445 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -1.751 -4.014 -12.779 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -3.606 -5.422 -13.469 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.390 -4.968 -15.148 1.00 0.00 H new ATOM 188 N LEU A 14 -1.767 -0.805 -12.889 1.00 0.00 N ATOM 189 CA LEU A 14 -1.312 0.142 -11.877 1.00 0.00 C ATOM 190 C LEU A 14 -2.337 1.253 -11.671 1.00 0.00 C ATOM 191 O LEU A 14 -2.867 1.427 -10.574 1.00 0.00 O ATOM 192 CB LEU A 14 0.034 0.744 -12.282 1.00 0.00 C ATOM 193 CG LEU A 14 1.256 -0.157 -12.093 1.00 0.00 C ATOM 194 CD1 LEU A 14 2.502 0.509 -12.655 1.00 0.00 C ATOM 195 CD2 LEU A 14 1.446 -0.495 -10.621 1.00 0.00 C ATOM 0 H LEU A 14 -1.315 -0.701 -13.798 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.194 -0.397 -10.937 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -0.021 1.033 -13.332 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.189 1.657 -11.708 1.00 0.00 H new ATOM 0 HG LEU A 14 1.088 -1.085 -12.639 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.361 -0.146 -12.512 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.364 0.699 -13.719 1.00 0.00 H new ATOM 0 HD13 LEU A 14 2.675 1.453 -12.137 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.320 -1.137 -10.505 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.592 0.424 -10.053 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.562 -1.014 -10.250 1.00 0.00 H new ATOM 207 N ARG A 15 -2.612 2.002 -12.735 1.00 0.00 N ATOM 208 CA ARG A 15 -3.574 3.096 -12.671 1.00 0.00 C ATOM 209 C ARG A 15 -4.897 2.622 -12.077 1.00 0.00 C ATOM 210 O ARG A 15 -5.557 3.356 -11.343 1.00 0.00 O ATOM 211 CB ARG A 15 -3.808 3.679 -14.066 1.00 0.00 C ATOM 212 CG ARG A 15 -4.900 2.968 -14.847 1.00 0.00 C ATOM 213 CD ARG A 15 -6.268 3.571 -14.570 1.00 0.00 C ATOM 214 NE ARG A 15 -7.189 3.377 -15.686 1.00 0.00 N ATOM 215 CZ ARG A 15 -7.087 4.020 -16.844 1.00 0.00 C ATOM 216 NH1 ARG A 15 -6.108 4.894 -17.037 1.00 0.00 N ATOM 217 NH2 ARG A 15 -7.964 3.789 -17.813 1.00 0.00 N ATOM 0 H ARG A 15 -2.182 1.871 -13.651 1.00 0.00 H new ATOM 0 HA ARG A 15 -3.163 3.872 -12.025 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -4.068 4.733 -13.971 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.878 3.630 -14.632 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.684 3.029 -15.914 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.907 1.910 -14.583 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -6.688 3.119 -13.671 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -6.160 4.637 -14.370 1.00 0.00 H new ATOM 0 HE ARG A 15 -7.953 2.711 -15.570 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.431 5.074 -16.295 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -6.032 5.386 -17.927 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -8.718 3.117 -17.669 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -7.884 4.284 -18.702 1.00 0.00 H new ATOM 231 N GLU A 16 -5.279 1.390 -12.402 1.00 0.00 N ATOM 232 CA GLU A 16 -6.524 0.820 -11.901 1.00 0.00 C ATOM 233 C GLU A 16 -6.381 0.397 -10.442 1.00 0.00 C ATOM 234 O GLU A 16 -7.323 0.509 -9.657 1.00 0.00 O ATOM 235 CB GLU A 16 -6.939 -0.382 -12.753 1.00 0.00 C ATOM 236 CG GLU A 16 -6.157 -1.647 -12.445 1.00 0.00 C ATOM 237 CD GLU A 16 -6.645 -2.843 -13.238 1.00 0.00 C ATOM 238 OE1 GLU A 16 -6.570 -3.973 -12.712 1.00 0.00 O ATOM 239 OE2 GLU A 16 -7.102 -2.650 -14.383 1.00 0.00 O ATOM 0 H GLU A 16 -4.744 0.769 -13.009 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.296 1.587 -11.965 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.001 -0.575 -12.600 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.809 -0.132 -13.806 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.102 -1.479 -12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.233 -1.866 -11.380 1.00 0.00 H new ATOM 246 N ALA A 17 -5.197 -0.090 -10.086 1.00 0.00 N ATOM 247 CA ALA A 17 -4.929 -0.528 -8.723 1.00 0.00 C ATOM 248 C ALA A 17 -5.074 0.626 -7.737 1.00 0.00 C ATOM 249 O ALA A 17 -5.562 0.445 -6.621 1.00 0.00 O ATOM 250 CB ALA A 17 -3.537 -1.136 -8.626 1.00 0.00 C ATOM 0 H ALA A 17 -4.408 -0.191 -10.724 1.00 0.00 H new ATOM 0 HA ALA A 17 -5.664 -1.289 -8.462 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.351 -1.459 -7.601 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -3.467 -1.994 -9.295 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -2.794 -0.392 -8.912 1.00 0.00 H new ATOM 256 N PHE A 18 -4.646 1.813 -8.155 1.00 0.00 N ATOM 257 CA PHE A 18 -4.726 2.997 -7.308 1.00 0.00 C ATOM 258 C PHE A 18 -6.155 3.531 -7.253 1.00 0.00 C ATOM 259 O PHE A 18 -6.696 3.779 -6.177 1.00 0.00 O ATOM 260 CB PHE A 18 -3.783 4.084 -7.824 1.00 0.00 C ATOM 261 CG PHE A 18 -2.478 3.549 -8.342 1.00 0.00 C ATOM 262 CD1 PHE A 18 -1.747 2.634 -7.603 1.00 0.00 C ATOM 263 CD2 PHE A 18 -1.984 3.963 -9.569 1.00 0.00 C ATOM 264 CE1 PHE A 18 -0.547 2.140 -8.078 1.00 0.00 C ATOM 265 CE2 PHE A 18 -0.784 3.471 -10.049 1.00 0.00 C ATOM 266 CZ PHE A 18 -0.064 2.559 -9.302 1.00 0.00 C ATOM 0 H PHE A 18 -4.240 1.980 -9.076 1.00 0.00 H new ATOM 0 HA PHE A 18 -4.424 2.713 -6.300 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.281 4.638 -8.620 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.583 4.792 -7.020 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -2.119 2.303 -6.645 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.542 4.677 -10.156 1.00 0.00 H new ATOM 0 HE1 PHE A 18 0.013 1.426 -7.492 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.410 3.800 -11.007 1.00 0.00 H new ATOM 0 HZ PHE A 18 0.874 2.175 -9.674 1.00 0.00 H new ATOM 276 N ALA A 19 -6.760 3.705 -8.424 1.00 0.00 N ATOM 277 CA ALA A 19 -8.125 4.208 -8.511 1.00 0.00 C ATOM 278 C ALA A 19 -9.106 3.254 -7.838 1.00 0.00 C ATOM 279 O ALA A 19 -10.239 3.626 -7.532 1.00 0.00 O ATOM 280 CB ALA A 19 -8.515 4.428 -9.965 1.00 0.00 C ATOM 0 H ALA A 19 -6.326 3.505 -9.325 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.168 5.162 -7.986 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -9.537 4.804 -10.015 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.839 5.154 -10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -8.449 3.484 -10.506 1.00 0.00 H new ATOM 286 N LYS A 20 -8.663 2.022 -7.609 1.00 0.00 N ATOM 287 CA LYS A 20 -9.501 1.014 -6.970 1.00 0.00 C ATOM 288 C LYS A 20 -9.726 1.346 -5.499 1.00 0.00 C ATOM 289 O LYS A 20 -10.861 1.527 -5.060 1.00 0.00 O ATOM 290 CB LYS A 20 -8.858 -0.369 -7.099 1.00 0.00 C ATOM 291 CG LYS A 20 -9.693 -1.355 -7.900 1.00 0.00 C ATOM 292 CD LYS A 20 -9.825 -0.924 -9.351 1.00 0.00 C ATOM 293 CE LYS A 20 -11.149 -1.377 -9.947 1.00 0.00 C ATOM 294 NZ LYS A 20 -11.413 -0.734 -11.265 1.00 0.00 N ATOM 0 H LYS A 20 -7.728 1.698 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 20 -10.467 1.008 -7.474 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.882 -0.264 -7.572 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.687 -0.776 -6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -9.235 -2.343 -7.853 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -10.684 -1.441 -7.454 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -9.746 0.161 -9.418 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.002 -1.340 -9.932 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.142 -2.460 -10.066 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -11.959 -1.138 -9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.324 -1.068 -11.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.445 0.299 -11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.654 -0.983 -11.931 1.00 0.00 H new ATOM 308 N VAL A 21 -8.636 1.425 -4.742 1.00 0.00 N ATOM 309 CA VAL A 21 -8.715 1.738 -3.319 1.00 0.00 C ATOM 310 C VAL A 21 -8.963 3.226 -3.097 1.00 0.00 C ATOM 311 O VAL A 21 -9.263 3.656 -1.984 1.00 0.00 O ATOM 312 CB VAL A 21 -7.426 1.328 -2.582 1.00 0.00 C ATOM 313 CG1 VAL A 21 -7.310 -0.187 -2.513 1.00 0.00 C ATOM 314 CG2 VAL A 21 -6.209 1.934 -3.263 1.00 0.00 C ATOM 0 H VAL A 21 -7.689 1.277 -5.090 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.552 1.169 -2.915 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.472 1.711 -1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.393 -0.458 -1.989 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.168 -0.594 -1.978 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.285 -0.596 -3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.307 1.634 -2.730 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.155 1.582 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.291 3.021 -3.255 1.00 0.00 H new ATOM 324 N ASP A 22 -8.836 4.007 -4.164 1.00 0.00 N ATOM 325 CA ASP A 22 -9.048 5.448 -4.086 1.00 0.00 C ATOM 326 C ASP A 22 -10.471 5.764 -3.634 1.00 0.00 C ATOM 327 O ASP A 22 -11.400 5.787 -4.442 1.00 0.00 O ATOM 328 CB ASP A 22 -8.775 6.099 -5.443 1.00 0.00 C ATOM 329 CG ASP A 22 -7.324 6.513 -5.604 1.00 0.00 C ATOM 330 OD1 ASP A 22 -6.846 6.564 -6.756 1.00 0.00 O ATOM 331 OD2 ASP A 22 -6.669 6.788 -4.578 1.00 0.00 O ATOM 0 H ASP A 22 -8.587 3.667 -5.093 1.00 0.00 H new ATOM 0 HA ASP A 22 -8.353 5.854 -3.350 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -9.042 5.402 -6.238 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -9.415 6.974 -5.559 1.00 0.00 H new ATOM 336 N THR A 23 -10.634 6.008 -2.337 1.00 0.00 N ATOM 337 CA THR A 23 -11.942 6.320 -1.777 1.00 0.00 C ATOM 338 C THR A 23 -12.388 7.725 -2.169 1.00 0.00 C ATOM 339 O THR A 23 -13.413 7.900 -2.827 1.00 0.00 O ATOM 340 CB THR A 23 -11.938 6.207 -0.241 1.00 0.00 C ATOM 341 OG1 THR A 23 -10.696 6.692 0.283 1.00 0.00 O ATOM 342 CG2 THR A 23 -12.149 4.764 0.195 1.00 0.00 C ATOM 0 H THR A 23 -9.876 5.995 -1.655 1.00 0.00 H new ATOM 0 HA THR A 23 -12.642 5.591 -2.186 1.00 0.00 H new ATOM 0 HB THR A 23 -12.757 6.812 0.148 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.702 6.618 1.260 1.00 0.00 H new ATOM 0 HG21 THR A 23 -12.142 4.708 1.284 1.00 0.00 H new ATOM 0 HG22 THR A 23 -13.108 4.407 -0.181 1.00 0.00 H new ATOM 0 HG23 THR A 23 -11.348 4.142 -0.205 1.00 0.00 H new ATOM 350 N ASP A 24 -11.609 8.722 -1.762 1.00 0.00 N ATOM 351 CA ASP A 24 -11.923 10.111 -2.073 1.00 0.00 C ATOM 352 C ASP A 24 -11.631 10.419 -3.539 1.00 0.00 C ATOM 353 O ASP A 24 -12.019 11.468 -4.052 1.00 0.00 O ATOM 354 CB ASP A 24 -11.120 11.051 -1.172 1.00 0.00 C ATOM 355 CG ASP A 24 -9.639 10.728 -1.172 1.00 0.00 C ATOM 356 OD1 ASP A 24 -9.104 10.396 -0.094 1.00 0.00 O ATOM 357 OD2 ASP A 24 -9.014 10.806 -2.250 1.00 0.00 O ATOM 0 H ASP A 24 -10.757 8.594 -1.217 1.00 0.00 H new ATOM 0 HA ASP A 24 -12.987 10.267 -1.892 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.265 12.079 -1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.503 10.988 -0.153 1.00 0.00 H new ATOM 362 N GLY A 25 -10.945 9.497 -4.207 1.00 0.00 N ATOM 363 CA GLY A 25 -10.613 9.689 -5.607 1.00 0.00 C ATOM 364 C GLY A 25 -9.776 10.932 -5.838 1.00 0.00 C ATOM 365 O GLY A 25 -10.016 11.683 -6.783 1.00 0.00 O ATOM 0 H GLY A 25 -10.613 8.621 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -10.071 8.817 -5.972 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -11.532 9.760 -6.189 1.00 0.00 H new ATOM 369 N ASN A 26 -8.792 11.151 -4.973 1.00 0.00 N ATOM 370 CA ASN A 26 -7.918 12.312 -5.086 1.00 0.00 C ATOM 371 C ASN A 26 -6.730 12.012 -5.996 1.00 0.00 C ATOM 372 O ASN A 26 -6.043 12.923 -6.459 1.00 0.00 O ATOM 373 CB ASN A 26 -7.421 12.740 -3.704 1.00 0.00 C ATOM 374 CG ASN A 26 -6.490 11.717 -3.082 1.00 0.00 C ATOM 375 OD1 ASN A 26 -6.485 10.549 -3.470 1.00 0.00 O ATOM 376 ND2 ASN A 26 -5.697 12.152 -2.110 1.00 0.00 N ATOM 0 H ASN A 26 -8.580 10.539 -4.185 1.00 0.00 H new ATOM 0 HA ASN A 26 -8.493 13.127 -5.525 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.903 13.695 -3.787 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -8.276 12.897 -3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -5.050 11.509 -1.653 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -5.735 13.129 -1.820 1.00 0.00 H new ATOM 383 N GLY A 27 -6.493 10.729 -6.247 1.00 0.00 N ATOM 384 CA GLY A 27 -5.388 10.331 -7.100 1.00 0.00 C ATOM 385 C GLY A 27 -4.156 9.938 -6.309 1.00 0.00 C ATOM 386 O GLY A 27 -3.124 9.594 -6.884 1.00 0.00 O ATOM 0 H GLY A 27 -7.046 9.957 -5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.698 9.492 -7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -5.138 11.152 -7.772 1.00 0.00 H new ATOM 390 N TYR A 28 -4.264 9.990 -4.986 1.00 0.00 N ATOM 391 CA TYR A 28 -3.149 9.640 -4.114 1.00 0.00 C ATOM 392 C TYR A 28 -3.536 8.516 -3.159 1.00 0.00 C ATOM 393 O TYR A 28 -4.703 8.128 -3.079 1.00 0.00 O ATOM 394 CB TYR A 28 -2.693 10.865 -3.319 1.00 0.00 C ATOM 395 CG TYR A 28 -2.631 12.132 -4.142 1.00 0.00 C ATOM 396 CD1 TYR A 28 -2.146 12.115 -5.443 1.00 0.00 C ATOM 397 CD2 TYR A 28 -3.056 13.346 -3.617 1.00 0.00 C ATOM 398 CE1 TYR A 28 -2.086 13.271 -6.198 1.00 0.00 C ATOM 399 CE2 TYR A 28 -3.002 14.506 -4.365 1.00 0.00 C ATOM 400 CZ TYR A 28 -2.516 14.464 -5.655 1.00 0.00 C ATOM 401 OH TYR A 28 -2.459 15.617 -6.403 1.00 0.00 O ATOM 0 H TYR A 28 -5.112 10.271 -4.494 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.326 9.293 -4.740 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.374 11.018 -2.482 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.708 10.667 -2.897 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.810 11.183 -5.872 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.435 13.383 -2.606 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.704 13.241 -7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -3.339 15.441 -3.942 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.800 16.368 -5.874 1.00 0.00 H new ATOM 411 N ILE A 29 -2.550 7.996 -2.435 1.00 0.00 N ATOM 412 CA ILE A 29 -2.786 6.917 -1.485 1.00 0.00 C ATOM 413 C ILE A 29 -2.058 7.174 -0.170 1.00 0.00 C ATOM 414 O ILE A 29 -0.886 7.550 -0.161 1.00 0.00 O ATOM 415 CB ILE A 29 -2.335 5.558 -2.051 1.00 0.00 C ATOM 416 CG1 ILE A 29 -3.209 5.162 -3.243 1.00 0.00 C ATOM 417 CG2 ILE A 29 -2.388 4.489 -0.970 1.00 0.00 C ATOM 418 CD1 ILE A 29 -2.938 3.765 -3.753 1.00 0.00 C ATOM 0 H ILE A 29 -1.580 8.305 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.860 6.886 -1.304 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.304 5.648 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -4.258 5.238 -2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.048 5.873 -4.053 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -2.066 3.534 -1.386 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.727 4.768 -0.149 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.409 4.397 -0.599 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -3.593 3.553 -4.598 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.898 3.689 -4.072 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.127 3.044 -2.957 1.00 0.00 H new ATOM 430 N SER A 30 -2.761 6.968 0.939 1.00 0.00 N ATOM 431 CA SER A 30 -2.181 7.179 2.261 1.00 0.00 C ATOM 432 C SER A 30 -1.837 5.848 2.923 1.00 0.00 C ATOM 433 O SER A 30 -1.905 4.792 2.292 1.00 0.00 O ATOM 434 CB SER A 30 -3.151 7.965 3.146 1.00 0.00 C ATOM 435 OG SER A 30 -2.463 8.621 4.198 1.00 0.00 O ATOM 0 H SER A 30 -3.732 6.656 0.949 1.00 0.00 H new ATOM 0 HA SER A 30 -1.262 7.753 2.140 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.685 8.699 2.543 1.00 0.00 H new ATOM 0 HB3 SER A 30 -3.898 7.289 3.562 1.00 0.00 H new ATOM 0 HG SER A 30 -1.659 9.055 3.843 1.00 0.00 H new ATOM 441 N PHE A 31 -1.467 5.905 4.198 1.00 0.00 N ATOM 442 CA PHE A 31 -1.111 4.705 4.945 1.00 0.00 C ATOM 443 C PHE A 31 -2.359 3.930 5.357 1.00 0.00 C ATOM 444 O PHE A 31 -2.361 2.700 5.372 1.00 0.00 O ATOM 445 CB PHE A 31 -0.295 5.075 6.186 1.00 0.00 C ATOM 446 CG PHE A 31 -0.366 4.048 7.278 1.00 0.00 C ATOM 447 CD1 PHE A 31 -1.364 4.105 8.238 1.00 0.00 C ATOM 448 CD2 PHE A 31 0.567 3.025 7.347 1.00 0.00 C ATOM 449 CE1 PHE A 31 -1.432 3.161 9.245 1.00 0.00 C ATOM 450 CE2 PHE A 31 0.503 2.077 8.352 1.00 0.00 C ATOM 451 CZ PHE A 31 -0.497 2.146 9.302 1.00 0.00 C ATOM 0 H PHE A 31 -1.406 6.770 4.735 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.508 4.070 4.297 1.00 0.00 H new ATOM 0 HB2 PHE A 31 0.747 5.215 5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -0.650 6.030 6.573 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -2.097 4.897 8.199 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.352 2.968 6.608 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -2.215 3.217 9.986 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.234 1.283 8.394 1.00 0.00 H new ATOM 0 HZ PHE A 31 -0.548 1.407 10.088 1.00 0.00 H new ATOM 461 N ASN A 32 -3.418 4.661 5.690 1.00 0.00 N ATOM 462 CA ASN A 32 -4.673 4.042 6.103 1.00 0.00 C ATOM 463 C ASN A 32 -5.268 3.209 4.972 1.00 0.00 C ATOM 464 O ASN A 32 -5.886 2.172 5.210 1.00 0.00 O ATOM 465 CB ASN A 32 -5.673 5.113 6.543 1.00 0.00 C ATOM 466 CG ASN A 32 -7.079 4.566 6.693 1.00 0.00 C ATOM 467 OD1 ASN A 32 -7.345 3.738 7.564 1.00 0.00 O ATOM 468 ND2 ASN A 32 -7.988 5.027 5.840 1.00 0.00 N ATOM 0 H ASN A 32 -3.433 5.681 5.682 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.463 3.382 6.945 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.349 5.540 7.492 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -5.677 5.923 5.814 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.951 4.694 5.892 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.723 5.713 5.134 1.00 0.00 H new ATOM 475 N GLU A 33 -5.075 3.671 3.740 1.00 0.00 N ATOM 476 CA GLU A 33 -5.592 2.968 2.572 1.00 0.00 C ATOM 477 C GLU A 33 -4.863 1.644 2.367 1.00 0.00 C ATOM 478 O GLU A 33 -5.485 0.581 2.314 1.00 0.00 O ATOM 479 CB GLU A 33 -5.453 3.839 1.322 1.00 0.00 C ATOM 480 CG GLU A 33 -5.754 5.308 1.567 1.00 0.00 C ATOM 481 CD GLU A 33 -6.037 6.067 0.285 1.00 0.00 C ATOM 482 OE1 GLU A 33 -6.721 5.506 -0.597 1.00 0.00 O ATOM 483 OE2 GLU A 33 -5.576 7.221 0.164 1.00 0.00 O ATOM 0 H GLU A 33 -4.565 4.528 3.526 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.648 2.758 2.744 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -4.439 3.744 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.125 3.463 0.551 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.613 5.393 2.232 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.908 5.768 2.078 1.00 0.00 H new ATOM 490 N LEU A 34 -3.542 1.714 2.251 1.00 0.00 N ATOM 491 CA LEU A 34 -2.726 0.522 2.051 1.00 0.00 C ATOM 492 C LEU A 34 -2.888 -0.450 3.215 1.00 0.00 C ATOM 493 O LEU A 34 -3.003 -1.659 3.015 1.00 0.00 O ATOM 494 CB LEU A 34 -1.255 0.907 1.894 1.00 0.00 C ATOM 495 CG LEU A 34 -0.843 1.446 0.524 1.00 0.00 C ATOM 496 CD1 LEU A 34 0.643 1.765 0.499 1.00 0.00 C ATOM 497 CD2 LEU A 34 -1.195 0.447 -0.569 1.00 0.00 C ATOM 0 H LEU A 34 -3.012 2.585 2.292 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.065 0.029 1.140 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.015 1.660 2.645 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -0.646 0.031 2.115 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.393 2.368 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.917 2.147 -0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.866 2.517 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 34 1.213 0.860 0.708 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.895 0.847 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.672 -0.492 -0.386 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.270 0.270 -0.567 1.00 0.00 H new ATOM 509 N ASN A 35 -2.898 0.086 4.431 1.00 0.00 N ATOM 510 CA ASN A 35 -3.048 -0.733 5.627 1.00 0.00 C ATOM 511 C ASN A 35 -4.384 -1.470 5.619 1.00 0.00 C ATOM 512 O ASN A 35 -4.438 -2.682 5.827 1.00 0.00 O ATOM 513 CB ASN A 35 -2.939 0.134 6.883 1.00 0.00 C ATOM 514 CG ASN A 35 -2.607 -0.678 8.120 1.00 0.00 C ATOM 515 OD1 ASN A 35 -3.550 -1.506 8.554 1.00 0.00 O flip ATOM 516 ND2 ASN A 35 -1.516 -0.562 8.678 1.00 0.00 N flip ATOM 0 H ASN A 35 -2.804 1.085 4.614 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.246 -1.471 5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -2.170 0.892 6.732 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -3.880 0.661 7.040 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.821 0.087 8.309 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -1.307 -1.115 9.509 1.00 0.00 H new ATOM 523 N ASP A 36 -5.459 -0.729 5.375 1.00 0.00 N ATOM 524 CA ASP A 36 -6.796 -1.312 5.336 1.00 0.00 C ATOM 525 C ASP A 36 -6.907 -2.343 4.219 1.00 0.00 C ATOM 526 O ASP A 36 -7.642 -3.325 4.338 1.00 0.00 O ATOM 527 CB ASP A 36 -7.847 -0.216 5.144 1.00 0.00 C ATOM 528 CG ASP A 36 -9.219 -0.639 5.630 1.00 0.00 C ATOM 529 OD1 ASP A 36 -9.352 -0.958 6.830 1.00 0.00 O ATOM 530 OD2 ASP A 36 -10.160 -0.650 4.810 1.00 0.00 O ATOM 0 H ASP A 36 -5.431 0.276 5.201 1.00 0.00 H new ATOM 0 HA ASP A 36 -6.975 -1.814 6.287 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -7.535 0.680 5.680 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -7.904 0.048 4.088 1.00 0.00 H new ATOM 535 N LEU A 37 -6.176 -2.114 3.134 1.00 0.00 N ATOM 536 CA LEU A 37 -6.193 -3.024 1.994 1.00 0.00 C ATOM 537 C LEU A 37 -5.525 -4.349 2.344 1.00 0.00 C ATOM 538 O LEU A 37 -6.160 -5.403 2.314 1.00 0.00 O ATOM 539 CB LEU A 37 -5.488 -2.384 0.796 1.00 0.00 C ATOM 540 CG LEU A 37 -6.010 -2.787 -0.584 1.00 0.00 C ATOM 541 CD1 LEU A 37 -4.916 -2.647 -1.630 1.00 0.00 C ATOM 542 CD2 LEU A 37 -6.545 -4.212 -0.557 1.00 0.00 C ATOM 0 H LEU A 37 -5.564 -1.306 3.019 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.233 -3.222 1.733 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.566 -1.301 0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.428 -2.633 0.848 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.828 -2.118 -0.851 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.306 -2.938 -2.605 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.580 -1.611 -1.668 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.077 -3.291 -1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.912 -4.482 -1.547 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.746 -4.895 -0.268 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.360 -4.281 0.163 1.00 0.00 H new ATOM 554 N PHE A 38 -4.240 -4.287 2.676 1.00 0.00 N ATOM 555 CA PHE A 38 -3.484 -5.483 3.034 1.00 0.00 C ATOM 556 C PHE A 38 -4.117 -6.189 4.228 1.00 0.00 C ATOM 557 O PHE A 38 -4.123 -7.418 4.307 1.00 0.00 O ATOM 558 CB PHE A 38 -2.033 -5.118 3.352 1.00 0.00 C ATOM 559 CG PHE A 38 -1.401 -4.220 2.327 1.00 0.00 C ATOM 560 CD1 PHE A 38 -1.725 -4.342 0.986 1.00 0.00 C ATOM 561 CD2 PHE A 38 -0.483 -3.253 2.706 1.00 0.00 C ATOM 562 CE1 PHE A 38 -1.146 -3.516 0.041 1.00 0.00 C ATOM 563 CE2 PHE A 38 0.099 -2.424 1.765 1.00 0.00 C ATOM 564 CZ PHE A 38 -0.233 -2.557 0.430 1.00 0.00 C ATOM 0 H PHE A 38 -3.700 -3.422 2.705 1.00 0.00 H new ATOM 0 HA PHE A 38 -3.502 -6.163 2.182 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -1.995 -4.628 4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.446 -6.033 3.433 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -2.438 -5.091 0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -0.219 -3.146 3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.408 -3.621 -1.001 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.812 -1.674 2.073 1.00 0.00 H new ATOM 0 HZ PHE A 38 0.221 -1.912 -0.307 1.00 0.00 H new ATOM 574 N LYS A 39 -4.650 -5.403 5.159 1.00 0.00 N ATOM 575 CA LYS A 39 -5.286 -5.950 6.351 1.00 0.00 C ATOM 576 C LYS A 39 -6.599 -6.640 5.998 1.00 0.00 C ATOM 577 O LYS A 39 -6.923 -7.695 6.543 1.00 0.00 O ATOM 578 CB LYS A 39 -5.539 -4.841 7.374 1.00 0.00 C ATOM 579 CG LYS A 39 -5.942 -5.357 8.745 1.00 0.00 C ATOM 580 CD LYS A 39 -4.728 -5.695 9.592 1.00 0.00 C ATOM 581 CE LYS A 39 -4.494 -4.649 10.672 1.00 0.00 C ATOM 582 NZ LYS A 39 -3.616 -5.162 11.760 1.00 0.00 N ATOM 0 H LYS A 39 -4.654 -4.384 5.110 1.00 0.00 H new ATOM 0 HA LYS A 39 -4.613 -6.689 6.785 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.637 -4.237 7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -6.323 -4.183 6.998 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.545 -4.605 9.255 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -6.566 -6.243 8.632 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.866 -6.672 10.054 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.846 -5.765 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.041 -3.763 10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.451 -4.341 11.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.481 -4.420 12.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.060 -5.992 12.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -2.693 -5.432 11.363 1.00 0.00 H new ATOM 596 N ALA A 40 -7.352 -6.039 5.082 1.00 0.00 N ATOM 597 CA ALA A 40 -8.628 -6.598 4.655 1.00 0.00 C ATOM 598 C ALA A 40 -8.425 -7.870 3.839 1.00 0.00 C ATOM 599 O ALA A 40 -9.293 -8.740 3.802 1.00 0.00 O ATOM 600 CB ALA A 40 -9.410 -5.571 3.848 1.00 0.00 C ATOM 0 H ALA A 40 -7.100 -5.165 4.622 1.00 0.00 H new ATOM 0 HA ALA A 40 -9.200 -6.857 5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.361 -6.002 3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -9.595 -4.690 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.834 -5.285 2.968 1.00 0.00 H new ATOM 606 N ALA A 41 -7.271 -7.970 3.186 1.00 0.00 N ATOM 607 CA ALA A 41 -6.953 -9.137 2.371 1.00 0.00 C ATOM 608 C ALA A 41 -7.047 -10.420 3.190 1.00 0.00 C ATOM 609 O ALA A 41 -7.318 -11.493 2.651 1.00 0.00 O ATOM 610 CB ALA A 41 -5.565 -8.995 1.765 1.00 0.00 C ATOM 0 H ALA A 41 -6.541 -7.257 3.206 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.684 -9.197 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.341 -9.873 1.159 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.531 -8.104 1.139 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.827 -8.906 2.562 1.00 0.00 H new ATOM 616 N CYS A 42 -6.818 -10.302 4.493 1.00 0.00 N ATOM 617 CA CYS A 42 -6.875 -11.454 5.387 1.00 0.00 C ATOM 618 C CYS A 42 -5.945 -12.562 4.905 1.00 0.00 C ATOM 619 O CYS A 42 -6.367 -13.703 4.714 1.00 0.00 O ATOM 620 CB CYS A 42 -8.308 -11.980 5.483 1.00 0.00 C ATOM 621 SG CYS A 42 -9.466 -10.831 6.263 1.00 0.00 S ATOM 0 H CYS A 42 -6.591 -9.421 4.954 1.00 0.00 H new ATOM 0 HA CYS A 42 -6.546 -11.133 6.375 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -8.665 -12.214 4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -8.304 -12.913 6.046 1.00 0.00 H new ATOM 0 HG CYS A 42 -9.639 -9.799 5.492 1.00 0.00 H new ATOM 627 N LEU A 43 -4.676 -12.218 4.710 1.00 0.00 N ATOM 628 CA LEU A 43 -3.685 -13.184 4.249 1.00 0.00 C ATOM 629 C LEU A 43 -3.106 -13.973 5.419 1.00 0.00 C ATOM 630 O LEU A 43 -3.184 -13.559 6.577 1.00 0.00 O ATOM 631 CB LEU A 43 -2.560 -12.470 3.496 1.00 0.00 C ATOM 632 CG LEU A 43 -2.622 -12.544 1.969 1.00 0.00 C ATOM 633 CD1 LEU A 43 -3.930 -11.958 1.459 1.00 0.00 C ATOM 634 CD2 LEU A 43 -1.434 -11.821 1.351 1.00 0.00 C ATOM 0 H LEU A 43 -4.310 -11.278 4.864 1.00 0.00 H new ATOM 0 HA LEU A 43 -4.182 -13.882 3.575 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.563 -11.420 3.789 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.608 -12.890 3.822 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.577 -13.592 1.673 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.956 -12.019 0.371 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.767 -12.520 1.874 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.005 -10.915 1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.495 -11.884 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.447 -10.774 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -0.508 -12.286 1.690 1.00 0.00 H new ATOM 646 N PRO A 44 -2.509 -15.133 5.114 1.00 0.00 N ATOM 647 CA PRO A 44 -1.904 -16.004 6.127 1.00 0.00 C ATOM 648 C PRO A 44 -0.640 -15.399 6.728 1.00 0.00 C ATOM 649 O PRO A 44 0.474 -15.832 6.424 1.00 0.00 O ATOM 650 CB PRO A 44 -1.569 -17.277 5.347 1.00 0.00 C ATOM 651 CG PRO A 44 -1.415 -16.827 3.935 1.00 0.00 C ATOM 652 CD PRO A 44 -2.379 -15.688 3.756 1.00 0.00 C ATOM 0 HA PRO A 44 -2.571 -16.171 6.973 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -0.654 -17.739 5.717 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -2.361 -18.019 5.442 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -0.392 -16.507 3.737 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -1.636 -17.638 3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -1.998 -14.946 3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -3.338 -16.031 3.369 1.00 0.00 H new ATOM 660 N LEU A 45 -0.817 -14.398 7.582 1.00 0.00 N ATOM 661 CA LEU A 45 0.311 -13.734 8.229 1.00 0.00 C ATOM 662 C LEU A 45 -0.145 -12.962 9.462 1.00 0.00 C ATOM 663 O LEU A 45 -1.318 -12.616 9.611 1.00 0.00 O ATOM 664 CB LEU A 45 1.000 -12.785 7.246 1.00 0.00 C ATOM 665 CG LEU A 45 0.076 -11.954 6.355 1.00 0.00 C ATOM 666 CD1 LEU A 45 -0.721 -10.964 7.189 1.00 0.00 C ATOM 667 CD2 LEU A 45 0.879 -11.228 5.285 1.00 0.00 C ATOM 0 H LEU A 45 -1.731 -14.027 7.843 1.00 0.00 H new ATOM 0 HA LEU A 45 1.019 -14.500 8.545 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.634 -12.104 7.814 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.658 -13.373 6.605 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.624 -12.628 5.861 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.373 -10.382 6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.325 -11.505 7.917 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.037 -10.294 7.711 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.206 -10.642 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.603 -10.565 5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.405 -11.956 4.668 1.00 0.00 H new ATOM 679 N PRO A 46 0.803 -12.682 10.370 1.00 0.00 N ATOM 680 CA PRO A 46 0.523 -11.946 11.606 1.00 0.00 C ATOM 681 C PRO A 46 0.200 -10.478 11.345 1.00 0.00 C ATOM 682 O PRO A 46 -0.040 -10.078 10.207 1.00 0.00 O ATOM 683 CB PRO A 46 1.826 -12.075 12.398 1.00 0.00 C ATOM 684 CG PRO A 46 2.878 -12.287 11.365 1.00 0.00 C ATOM 685 CD PRO A 46 2.221 -13.063 10.258 1.00 0.00 C ATOM 0 HA PRO A 46 -0.349 -12.340 12.128 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.023 -11.178 12.985 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.783 -12.910 13.097 1.00 0.00 H new ATOM 0 HG2 PRO A 46 3.263 -11.335 10.999 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.725 -12.836 11.777 1.00 0.00 H new ATOM 0 HD2 PRO A 46 2.632 -12.800 9.284 1.00 0.00 H new ATOM 0 HD3 PRO A 46 2.360 -14.137 10.383 1.00 0.00 H new ATOM 693 N GLY A 47 0.198 -9.680 12.408 1.00 0.00 N ATOM 694 CA GLY A 47 -0.096 -8.265 12.273 1.00 0.00 C ATOM 695 C GLY A 47 1.112 -7.462 11.835 1.00 0.00 C ATOM 696 O GLY A 47 1.045 -6.705 10.866 1.00 0.00 O ATOM 0 H GLY A 47 0.395 -9.988 13.360 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.899 -8.131 11.549 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.459 -7.880 13.226 1.00 0.00 H new ATOM 700 N TYR A 48 2.220 -7.623 12.551 1.00 0.00 N ATOM 701 CA TYR A 48 3.447 -6.903 12.232 1.00 0.00 C ATOM 702 C TYR A 48 3.782 -7.028 10.749 1.00 0.00 C ATOM 703 O TYR A 48 4.347 -6.112 10.150 1.00 0.00 O ATOM 704 CB TYR A 48 4.607 -7.434 13.075 1.00 0.00 C ATOM 705 CG TYR A 48 5.300 -8.632 12.465 1.00 0.00 C ATOM 706 CD1 TYR A 48 4.953 -9.924 12.839 1.00 0.00 C ATOM 707 CD2 TYR A 48 6.302 -8.471 11.517 1.00 0.00 C ATOM 708 CE1 TYR A 48 5.584 -11.022 12.285 1.00 0.00 C ATOM 709 CE2 TYR A 48 6.938 -9.563 10.957 1.00 0.00 C ATOM 710 CZ TYR A 48 6.575 -10.836 11.344 1.00 0.00 C ATOM 711 OH TYR A 48 7.206 -11.926 10.790 1.00 0.00 O ATOM 0 H TYR A 48 2.293 -8.246 13.356 1.00 0.00 H new ATOM 0 HA TYR A 48 3.291 -5.849 12.463 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.336 -6.637 13.218 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.233 -7.705 14.063 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.177 -10.073 13.575 1.00 0.00 H new ATOM 0 HD2 TYR A 48 6.589 -7.476 11.212 1.00 0.00 H new ATOM 0 HE1 TYR A 48 5.303 -12.020 12.587 1.00 0.00 H new ATOM 0 HE2 TYR A 48 7.715 -9.420 10.220 1.00 0.00 H new ATOM 0 HH TYR A 48 7.878 -11.622 10.144 1.00 0.00 H new ATOM 721 N ARG A 49 3.430 -8.168 10.163 1.00 0.00 N ATOM 722 CA ARG A 49 3.692 -8.413 8.750 1.00 0.00 C ATOM 723 C ARG A 49 2.996 -7.372 7.878 1.00 0.00 C ATOM 724 O ARG A 49 3.622 -6.741 7.026 1.00 0.00 O ATOM 725 CB ARG A 49 3.226 -9.816 8.359 1.00 0.00 C ATOM 726 CG ARG A 49 4.212 -10.562 7.475 1.00 0.00 C ATOM 727 CD ARG A 49 5.092 -11.498 8.290 1.00 0.00 C ATOM 728 NE ARG A 49 5.861 -12.404 7.439 1.00 0.00 N ATOM 729 CZ ARG A 49 5.344 -13.482 6.860 1.00 0.00 C ATOM 730 NH1 ARG A 49 4.066 -13.787 7.036 1.00 0.00 N ATOM 731 NH2 ARG A 49 6.108 -14.258 6.100 1.00 0.00 N ATOM 0 H ARG A 49 2.963 -8.936 10.645 1.00 0.00 H new ATOM 0 HA ARG A 49 4.767 -8.336 8.588 1.00 0.00 H new ATOM 0 HB2 ARG A 49 3.052 -10.397 9.265 1.00 0.00 H new ATOM 0 HB3 ARG A 49 2.271 -9.741 7.840 1.00 0.00 H new ATOM 0 HG2 ARG A 49 3.668 -11.134 6.723 1.00 0.00 H new ATOM 0 HG3 ARG A 49 4.837 -9.847 6.940 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.774 -10.911 8.905 1.00 0.00 H new ATOM 0 HD3 ARG A 49 4.470 -12.080 8.971 1.00 0.00 H new ATOM 0 HE ARG A 49 6.847 -12.197 7.281 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.475 -13.193 7.618 1.00 0.00 H new ATOM 0 HH12 ARG A 49 3.673 -14.616 6.589 1.00 0.00 H new ATOM 0 HH21 ARG A 49 7.092 -14.026 5.961 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.711 -15.086 5.655 1.00 0.00 H new ATOM 745 N VAL A 50 1.697 -7.198 8.098 1.00 0.00 N ATOM 746 CA VAL A 50 0.915 -6.234 7.332 1.00 0.00 C ATOM 747 C VAL A 50 1.375 -4.808 7.612 1.00 0.00 C ATOM 748 O VAL A 50 1.596 -4.024 6.689 1.00 0.00 O ATOM 749 CB VAL A 50 -0.587 -6.349 7.653 1.00 0.00 C ATOM 750 CG1 VAL A 50 -1.408 -5.541 6.659 1.00 0.00 C ATOM 751 CG2 VAL A 50 -1.020 -7.807 7.654 1.00 0.00 C ATOM 0 H VAL A 50 1.164 -7.711 8.800 1.00 0.00 H new ATOM 0 HA VAL A 50 1.073 -6.464 6.278 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.761 -5.941 8.649 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.467 -5.634 6.901 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.114 -4.493 6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.232 -5.917 5.651 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.084 -7.870 7.883 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.833 -8.243 6.673 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.454 -8.354 8.408 1.00 0.00 H new ATOM 761 N ARG A 51 1.517 -4.478 8.892 1.00 0.00 N ATOM 762 CA ARG A 51 1.951 -3.145 9.293 1.00 0.00 C ATOM 763 C ARG A 51 3.352 -2.848 8.768 1.00 0.00 C ATOM 764 O ARG A 51 3.724 -1.689 8.589 1.00 0.00 O ATOM 765 CB ARG A 51 1.929 -3.017 10.818 1.00 0.00 C ATOM 766 CG ARG A 51 1.810 -1.583 11.306 1.00 0.00 C ATOM 767 CD ARG A 51 0.374 -1.232 11.661 1.00 0.00 C ATOM 768 NE ARG A 51 0.105 -1.397 13.087 1.00 0.00 N ATOM 769 CZ ARG A 51 0.562 -0.572 14.021 1.00 0.00 C ATOM 770 NH1 ARG A 51 1.306 0.473 13.682 1.00 0.00 N ATOM 771 NH2 ARG A 51 0.275 -0.789 15.299 1.00 0.00 N ATOM 0 H ARG A 51 1.338 -5.115 9.668 1.00 0.00 H new ATOM 0 HA ARG A 51 1.260 -2.420 8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.093 -3.596 11.211 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.840 -3.456 11.224 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.447 -1.441 12.179 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.171 -0.904 10.534 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.171 -0.201 11.371 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -0.305 -1.864 11.089 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.465 -2.190 13.381 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.528 0.644 12.701 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.656 1.105 14.402 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.297 -1.591 15.564 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.627 -0.154 16.016 1.00 0.00 H new ATOM 785 N GLU A 52 4.124 -3.903 8.524 1.00 0.00 N ATOM 786 CA GLU A 52 5.485 -3.753 8.021 1.00 0.00 C ATOM 787 C GLU A 52 5.480 -3.441 6.527 1.00 0.00 C ATOM 788 O GLU A 52 6.066 -2.451 6.088 1.00 0.00 O ATOM 789 CB GLU A 52 6.292 -5.026 8.285 1.00 0.00 C ATOM 790 CG GLU A 52 7.686 -4.998 7.681 1.00 0.00 C ATOM 791 CD GLU A 52 8.594 -3.987 8.354 1.00 0.00 C ATOM 792 OE1 GLU A 52 9.788 -3.930 7.993 1.00 0.00 O ATOM 793 OE2 GLU A 52 8.110 -3.252 9.241 1.00 0.00 O ATOM 0 H GLU A 52 3.831 -4.869 8.666 1.00 0.00 H new ATOM 0 HA GLU A 52 5.951 -2.920 8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.374 -5.177 9.361 1.00 0.00 H new ATOM 0 HB3 GLU A 52 5.748 -5.881 7.883 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.132 -5.990 7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.613 -4.764 6.619 1.00 0.00 H new ATOM 800 N ILE A 53 4.817 -4.293 5.752 1.00 0.00 N ATOM 801 CA ILE A 53 4.736 -4.108 4.309 1.00 0.00 C ATOM 802 C ILE A 53 4.141 -2.748 3.961 1.00 0.00 C ATOM 803 O ILE A 53 4.572 -2.092 3.012 1.00 0.00 O ATOM 804 CB ILE A 53 3.889 -5.211 3.647 1.00 0.00 C ATOM 805 CG1 ILE A 53 2.522 -5.313 4.328 1.00 0.00 C ATOM 806 CG2 ILE A 53 4.617 -6.545 3.706 1.00 0.00 C ATOM 807 CD1 ILE A 53 1.640 -6.398 3.751 1.00 0.00 C ATOM 0 H ILE A 53 4.328 -5.118 6.100 1.00 0.00 H new ATOM 0 HA ILE A 53 5.755 -4.164 3.926 1.00 0.00 H new ATOM 0 HB ILE A 53 3.734 -4.950 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.668 -5.502 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.009 -4.355 4.242 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.006 -7.314 3.234 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.568 -6.464 3.180 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.800 -6.814 4.746 1.00 0.00 H new ATOM 0 HD11 ILE A 53 0.688 -6.413 4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.464 -6.200 2.694 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.132 -7.364 3.862 1.00 0.00 H new ATOM 819 N THR A 54 3.146 -2.326 4.737 1.00 0.00 N ATOM 820 CA THR A 54 2.491 -1.044 4.512 1.00 0.00 C ATOM 821 C THR A 54 3.385 0.112 4.946 1.00 0.00 C ATOM 822 O THR A 54 3.444 1.145 4.281 1.00 0.00 O ATOM 823 CB THR A 54 1.153 -0.957 5.270 1.00 0.00 C ATOM 824 OG1 THR A 54 0.457 0.238 4.897 1.00 0.00 O ATOM 825 CG2 THR A 54 1.381 -0.970 6.774 1.00 0.00 C ATOM 0 H THR A 54 2.777 -2.855 5.527 1.00 0.00 H new ATOM 0 HA THR A 54 2.299 -0.969 3.442 1.00 0.00 H new ATOM 0 HB THR A 54 0.551 -1.826 5.003 1.00 0.00 H new ATOM 0 HG1 THR A 54 -0.393 0.286 5.382 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.422 -0.908 7.288 1.00 0.00 H new ATOM 0 HG22 THR A 54 1.885 -1.894 7.058 1.00 0.00 H new ATOM 0 HG23 THR A 54 2.000 -0.118 7.056 1.00 0.00 H new ATOM 833 N GLU A 55 4.079 -0.070 6.065 1.00 0.00 N ATOM 834 CA GLU A 55 4.969 0.961 6.586 1.00 0.00 C ATOM 835 C GLU A 55 6.155 1.180 5.651 1.00 0.00 C ATOM 836 O GLU A 55 6.501 2.315 5.326 1.00 0.00 O ATOM 837 CB GLU A 55 5.470 0.576 7.980 1.00 0.00 C ATOM 838 CG GLU A 55 4.552 1.029 9.103 1.00 0.00 C ATOM 839 CD GLU A 55 5.085 0.665 10.476 1.00 0.00 C ATOM 840 OE1 GLU A 55 5.945 1.408 10.994 1.00 0.00 O ATOM 841 OE2 GLU A 55 4.644 -0.362 11.031 1.00 0.00 O ATOM 0 H GLU A 55 4.042 -0.920 6.627 1.00 0.00 H new ATOM 0 HA GLU A 55 4.405 1.891 6.654 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.584 -0.507 8.030 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.459 1.008 8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.418 2.109 9.044 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.569 0.578 8.968 1.00 0.00 H new ATOM 848 N ASN A 56 6.773 0.083 5.223 1.00 0.00 N ATOM 849 CA ASN A 56 7.921 0.155 4.326 1.00 0.00 C ATOM 850 C ASN A 56 7.504 0.664 2.949 1.00 0.00 C ATOM 851 O ASN A 56 8.193 1.486 2.344 1.00 0.00 O ATOM 852 CB ASN A 56 8.580 -1.219 4.197 1.00 0.00 C ATOM 853 CG ASN A 56 9.200 -1.689 5.498 1.00 0.00 C ATOM 854 OD1 ASN A 56 9.095 -1.018 6.525 1.00 0.00 O ATOM 855 ND2 ASN A 56 9.851 -2.845 5.461 1.00 0.00 N ATOM 0 H ASN A 56 6.498 -0.864 5.482 1.00 0.00 H new ATOM 0 HA ASN A 56 8.639 0.856 4.750 1.00 0.00 H new ATOM 0 HB2 ASN A 56 7.837 -1.946 3.869 1.00 0.00 H new ATOM 0 HB3 ASN A 56 9.349 -1.179 3.425 1.00 0.00 H new ATOM 0 HD21 ASN A 56 10.289 -3.211 6.306 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.913 -3.368 4.587 1.00 0.00 H new ATOM 862 N LEU A 57 6.373 0.170 2.460 1.00 0.00 N ATOM 863 CA LEU A 57 5.862 0.574 1.155 1.00 0.00 C ATOM 864 C LEU A 57 5.580 2.073 1.120 1.00 0.00 C ATOM 865 O LEU A 57 5.917 2.755 0.153 1.00 0.00 O ATOM 866 CB LEU A 57 4.588 -0.204 0.819 1.00 0.00 C ATOM 867 CG LEU A 57 3.977 0.070 -0.555 1.00 0.00 C ATOM 868 CD1 LEU A 57 5.028 -0.073 -1.645 1.00 0.00 C ATOM 869 CD2 LEU A 57 2.807 -0.870 -0.815 1.00 0.00 C ATOM 0 H LEU A 57 5.792 -0.512 2.948 1.00 0.00 H new ATOM 0 HA LEU A 57 6.625 0.349 0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.807 -1.269 0.891 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.839 0.019 1.579 1.00 0.00 H new ATOM 0 HG LEU A 57 3.606 1.095 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.574 0.126 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.834 0.639 -1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.429 -1.086 -1.633 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.384 -0.661 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.155 -1.902 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.043 -0.720 -0.052 1.00 0.00 H new ATOM 881 N MET A 58 4.963 2.578 2.183 1.00 0.00 N ATOM 882 CA MET A 58 4.638 3.997 2.275 1.00 0.00 C ATOM 883 C MET A 58 5.901 4.831 2.468 1.00 0.00 C ATOM 884 O MET A 58 6.013 5.935 1.937 1.00 0.00 O ATOM 885 CB MET A 58 3.667 4.245 3.430 1.00 0.00 C ATOM 886 CG MET A 58 2.248 3.786 3.140 1.00 0.00 C ATOM 887 SD MET A 58 1.455 4.753 1.841 1.00 0.00 S ATOM 888 CE MET A 58 1.339 6.355 2.634 1.00 0.00 C ATOM 0 H MET A 58 4.678 2.026 2.992 1.00 0.00 H new ATOM 0 HA MET A 58 4.164 4.298 1.341 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.032 3.729 4.318 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.655 5.310 3.662 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.263 2.736 2.848 1.00 0.00 H new ATOM 0 HG3 MET A 58 1.655 3.855 4.052 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.618 6.974 2.100 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.014 6.227 3.666 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.315 6.840 2.619 1.00 0.00 H new ATOM 898 N ALA A 59 6.848 4.296 3.230 1.00 0.00 N ATOM 899 CA ALA A 59 8.103 4.990 3.491 1.00 0.00 C ATOM 900 C ALA A 59 8.953 5.080 2.229 1.00 0.00 C ATOM 901 O ALA A 59 9.477 6.143 1.895 1.00 0.00 O ATOM 902 CB ALA A 59 8.874 4.289 4.601 1.00 0.00 C ATOM 0 H ALA A 59 6.770 3.383 3.678 1.00 0.00 H new ATOM 0 HA ALA A 59 7.868 6.005 3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 59 9.809 4.818 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.275 4.283 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 59 9.091 3.263 4.302 1.00 0.00 H new ATOM 908 N THR A 60 9.087 3.957 1.530 1.00 0.00 N ATOM 909 CA THR A 60 9.876 3.909 0.305 1.00 0.00 C ATOM 910 C THR A 60 9.048 4.341 -0.899 1.00 0.00 C ATOM 911 O THR A 60 9.547 4.390 -2.022 1.00 0.00 O ATOM 912 CB THR A 60 10.433 2.496 0.050 1.00 0.00 C ATOM 913 OG1 THR A 60 11.403 2.533 -1.001 1.00 0.00 O ATOM 914 CG2 THR A 60 9.315 1.532 -0.318 1.00 0.00 C ATOM 0 H THR A 60 8.659 3.069 1.791 1.00 0.00 H new ATOM 0 HA THR A 60 10.708 4.601 0.438 1.00 0.00 H new ATOM 0 HB THR A 60 10.906 2.146 0.967 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.088 3.125 -1.716 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.733 0.541 -0.493 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.594 1.483 0.498 1.00 0.00 H new ATOM 0 HG23 THR A 60 8.817 1.881 -1.222 1.00 0.00 H new ATOM 922 N GLY A 61 7.780 4.658 -0.657 1.00 0.00 N ATOM 923 CA GLY A 61 6.903 5.083 -1.732 1.00 0.00 C ATOM 924 C GLY A 61 6.515 6.544 -1.620 1.00 0.00 C ATOM 925 O GLY A 61 5.549 6.986 -2.242 1.00 0.00 O ATOM 0 H GLY A 61 7.344 4.628 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 61 7.397 4.914 -2.689 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.002 4.469 -1.726 1.00 0.00 H new ATOM 929 N ASP A 62 7.268 7.295 -0.824 1.00 0.00 N ATOM 930 CA ASP A 62 6.997 8.714 -0.632 1.00 0.00 C ATOM 931 C ASP A 62 8.150 9.564 -1.160 1.00 0.00 C ATOM 932 O ASP A 62 9.252 9.546 -0.608 1.00 0.00 O ATOM 933 CB ASP A 62 6.762 9.015 0.848 1.00 0.00 C ATOM 934 CG ASP A 62 5.314 8.828 1.255 1.00 0.00 C ATOM 935 OD1 ASP A 62 4.432 8.938 0.377 1.00 0.00 O ATOM 936 OD2 ASP A 62 5.062 8.569 2.450 1.00 0.00 O ATOM 0 H ASP A 62 8.071 6.944 -0.301 1.00 0.00 H new ATOM 0 HA ASP A 62 6.097 8.965 -1.193 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.393 8.364 1.453 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.066 10.040 1.060 1.00 0.00 H new ATOM 941 N LEU A 63 7.890 10.306 -2.231 1.00 0.00 N ATOM 942 CA LEU A 63 8.906 11.162 -2.834 1.00 0.00 C ATOM 943 C LEU A 63 8.947 12.524 -2.148 1.00 0.00 C ATOM 944 O LEU A 63 9.944 12.885 -1.523 1.00 0.00 O ATOM 945 CB LEU A 63 8.631 11.338 -4.328 1.00 0.00 C ATOM 946 CG LEU A 63 9.142 10.222 -5.241 1.00 0.00 C ATOM 947 CD1 LEU A 63 10.657 10.122 -5.164 1.00 0.00 C ATOM 948 CD2 LEU A 63 8.499 8.893 -4.870 1.00 0.00 C ATOM 0 H LEU A 63 6.984 10.332 -2.700 1.00 0.00 H new ATOM 0 HA LEU A 63 9.876 10.681 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.554 11.432 -4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 63 9.078 12.278 -4.651 1.00 0.00 H new ATOM 0 HG LEU A 63 8.865 10.463 -6.267 1.00 0.00 H new ATOM 0 HD11 LEU A 63 11.003 9.323 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 63 11.100 11.067 -5.478 1.00 0.00 H new ATOM 0 HD13 LEU A 63 10.956 9.904 -4.139 1.00 0.00 H new ATOM 0 HD21 LEU A 63 8.874 8.111 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 63 8.745 8.646 -3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.417 8.970 -4.977 1.00 0.00 H new ATOM 960 N ASP A 64 7.857 13.274 -2.270 1.00 0.00 N ATOM 961 CA ASP A 64 7.768 14.596 -1.659 1.00 0.00 C ATOM 962 C ASP A 64 7.589 14.485 -0.148 1.00 0.00 C ATOM 963 O ASP A 64 7.634 15.486 0.566 1.00 0.00 O ATOM 964 CB ASP A 64 6.606 15.384 -2.267 1.00 0.00 C ATOM 965 CG ASP A 64 5.345 14.552 -2.391 1.00 0.00 C ATOM 966 OD1 ASP A 64 5.153 13.919 -3.451 1.00 0.00 O ATOM 967 OD2 ASP A 64 4.550 14.534 -1.429 1.00 0.00 O ATOM 0 H ASP A 64 7.024 12.990 -2.785 1.00 0.00 H new ATOM 0 HA ASP A 64 8.700 15.126 -1.858 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.401 16.259 -1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.895 15.750 -3.252 1.00 0.00 H new ATOM 972 N GLN A 65 7.384 13.263 0.331 1.00 0.00 N ATOM 973 CA GLN A 65 7.196 13.023 1.756 1.00 0.00 C ATOM 974 C GLN A 65 6.075 13.896 2.312 1.00 0.00 C ATOM 975 O GLN A 65 6.298 14.715 3.203 1.00 0.00 O ATOM 976 CB GLN A 65 8.495 13.295 2.516 1.00 0.00 C ATOM 977 CG GLN A 65 9.681 12.495 2.000 1.00 0.00 C ATOM 978 CD GLN A 65 11.011 13.089 2.417 1.00 0.00 C ATOM 979 OE1 GLN A 65 11.497 12.837 3.520 1.00 0.00 O ATOM 980 NE2 GLN A 65 11.608 13.884 1.537 1.00 0.00 N ATOM 0 H GLN A 65 7.344 12.424 -0.247 1.00 0.00 H new ATOM 0 HA GLN A 65 6.918 11.978 1.889 1.00 0.00 H new ATOM 0 HB2 GLN A 65 8.728 14.358 2.451 1.00 0.00 H new ATOM 0 HB3 GLN A 65 8.344 13.066 3.571 1.00 0.00 H new ATOM 0 HG2 GLN A 65 9.613 11.472 2.369 1.00 0.00 H new ATOM 0 HG3 GLN A 65 9.635 12.445 0.912 1.00 0.00 H new ATOM 0 HE21 GLN A 65 11.169 14.066 0.634 1.00 0.00 H new ATOM 0 HE22 GLN A 65 12.505 14.313 1.764 1.00 0.00 H new ATOM 989 N ASP A 66 4.872 13.714 1.780 1.00 0.00 N ATOM 990 CA ASP A 66 3.716 14.485 2.224 1.00 0.00 C ATOM 991 C ASP A 66 2.685 13.582 2.895 1.00 0.00 C ATOM 992 O ASP A 66 1.780 14.058 3.580 1.00 0.00 O ATOM 993 CB ASP A 66 3.079 15.215 1.041 1.00 0.00 C ATOM 994 CG ASP A 66 2.261 14.290 0.162 1.00 0.00 C ATOM 995 OD1 ASP A 66 1.208 14.730 -0.346 1.00 0.00 O ATOM 996 OD2 ASP A 66 2.675 13.126 -0.020 1.00 0.00 O ATOM 0 H ASP A 66 4.671 13.040 1.041 1.00 0.00 H new ATOM 0 HA ASP A 66 4.058 15.219 2.953 1.00 0.00 H new ATOM 0 HB2 ASP A 66 2.441 16.016 1.413 1.00 0.00 H new ATOM 0 HB3 ASP A 66 3.861 15.683 0.443 1.00 0.00 H new ATOM 1001 N GLY A 67 2.829 12.275 2.693 1.00 0.00 N ATOM 1002 CA GLY A 67 1.903 11.327 3.283 1.00 0.00 C ATOM 1003 C GLY A 67 0.933 10.756 2.269 1.00 0.00 C ATOM 1004 O GLY A 67 0.024 10.005 2.624 1.00 0.00 O ATOM 0 H GLY A 67 3.571 11.857 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 67 2.464 10.513 3.742 1.00 0.00 H new ATOM 0 HA3 GLY A 67 1.344 11.818 4.080 1.00 0.00 H new ATOM 1008 N ARG A 68 1.124 11.113 1.003 1.00 0.00 N ATOM 1009 CA ARG A 68 0.256 10.632 -0.065 1.00 0.00 C ATOM 1010 C ARG A 68 1.078 10.161 -1.262 1.00 0.00 C ATOM 1011 O ARG A 68 2.033 10.822 -1.671 1.00 0.00 O ATOM 1012 CB ARG A 68 -0.711 11.735 -0.500 1.00 0.00 C ATOM 1013 CG ARG A 68 -1.290 12.528 0.659 1.00 0.00 C ATOM 1014 CD ARG A 68 -2.789 12.733 0.501 1.00 0.00 C ATOM 1015 NE ARG A 68 -3.396 13.291 1.706 1.00 0.00 N ATOM 1016 CZ ARG A 68 -4.572 13.907 1.719 1.00 0.00 C ATOM 1017 NH1 ARG A 68 -5.265 14.044 0.597 1.00 0.00 N ATOM 1018 NH2 ARG A 68 -5.058 14.389 2.855 1.00 0.00 N ATOM 0 H ARG A 68 1.872 11.733 0.692 1.00 0.00 H new ATOM 0 HA ARG A 68 -0.316 9.786 0.318 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.192 12.417 -1.173 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -1.527 11.288 -1.067 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.090 12.006 1.595 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.794 13.497 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.977 13.399 -0.341 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -3.262 11.780 0.265 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.889 13.203 2.586 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.895 13.676 -0.279 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.168 14.518 0.610 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.528 14.287 3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.962 14.862 2.863 1.00 0.00 H new ATOM 1032 N ILE A 69 0.699 9.015 -1.819 1.00 0.00 N ATOM 1033 CA ILE A 69 1.400 8.456 -2.968 1.00 0.00 C ATOM 1034 C ILE A 69 0.562 8.582 -4.237 1.00 0.00 C ATOM 1035 O ILE A 69 -0.521 8.006 -4.337 1.00 0.00 O ATOM 1036 CB ILE A 69 1.755 6.974 -2.745 1.00 0.00 C ATOM 1037 CG1 ILE A 69 2.405 6.783 -1.374 1.00 0.00 C ATOM 1038 CG2 ILE A 69 2.676 6.478 -3.849 1.00 0.00 C ATOM 1039 CD1 ILE A 69 2.938 5.386 -1.146 1.00 0.00 C ATOM 0 H ILE A 69 -0.089 8.456 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 69 2.321 9.027 -3.085 1.00 0.00 H new ATOM 0 HB ILE A 69 0.837 6.387 -2.775 1.00 0.00 H new ATOM 0 HG12 ILE A 69 3.222 7.497 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 69 1.674 7.015 -0.599 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.918 5.429 -3.677 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.178 6.582 -4.813 1.00 0.00 H new ATOM 0 HG23 ILE A 69 3.593 7.067 -3.849 1.00 0.00 H new ATOM 0 HD11 ILE A 69 3.385 5.324 -0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.121 4.668 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.693 5.157 -1.898 1.00 0.00 H new ATOM 1051 N SER A 70 1.074 9.336 -5.204 1.00 0.00 N ATOM 1052 CA SER A 70 0.373 9.540 -6.466 1.00 0.00 C ATOM 1053 C SER A 70 0.634 8.382 -7.425 1.00 0.00 C ATOM 1054 O SER A 70 1.468 7.515 -7.158 1.00 0.00 O ATOM 1055 CB SER A 70 0.809 10.857 -7.110 1.00 0.00 C ATOM 1056 OG SER A 70 -0.286 11.504 -7.737 1.00 0.00 O ATOM 0 H SER A 70 1.972 9.816 -5.138 1.00 0.00 H new ATOM 0 HA SER A 70 -0.696 9.583 -6.256 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.237 11.512 -6.352 1.00 0.00 H new ATOM 0 HB3 SER A 70 1.591 10.665 -7.844 1.00 0.00 H new ATOM 0 HG SER A 70 -0.932 11.787 -7.057 1.00 0.00 H new ATOM 1062 N PHE A 71 -0.083 8.374 -8.543 1.00 0.00 N ATOM 1063 CA PHE A 71 0.069 7.323 -9.542 1.00 0.00 C ATOM 1064 C PHE A 71 1.533 7.153 -9.934 1.00 0.00 C ATOM 1065 O PHE A 71 2.083 6.055 -9.861 1.00 0.00 O ATOM 1066 CB PHE A 71 -0.770 7.643 -10.782 1.00 0.00 C ATOM 1067 CG PHE A 71 -2.211 7.242 -10.651 1.00 0.00 C ATOM 1068 CD1 PHE A 71 -2.877 6.651 -11.713 1.00 0.00 C ATOM 1069 CD2 PHE A 71 -2.899 7.457 -9.469 1.00 0.00 C ATOM 1070 CE1 PHE A 71 -4.204 6.280 -11.596 1.00 0.00 C ATOM 1071 CE2 PHE A 71 -4.226 7.088 -9.347 1.00 0.00 C ATOM 1072 CZ PHE A 71 -4.879 6.500 -10.412 1.00 0.00 C ATOM 0 H PHE A 71 -0.776 9.084 -8.780 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.283 6.388 -9.106 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -0.716 8.713 -10.981 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.337 7.136 -11.644 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -2.354 6.478 -12.642 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.394 7.918 -8.633 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -4.712 5.819 -12.430 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -4.751 7.260 -8.419 1.00 0.00 H new ATOM 0 HZ PHE A 71 -5.916 6.213 -10.319 1.00 0.00 H new ATOM 1082 N ASP A 72 2.159 8.249 -10.351 1.00 0.00 N ATOM 1083 CA ASP A 72 3.560 8.222 -10.754 1.00 0.00 C ATOM 1084 C ASP A 72 4.439 7.679 -9.631 1.00 0.00 C ATOM 1085 O ASP A 72 5.347 6.884 -9.871 1.00 0.00 O ATOM 1086 CB ASP A 72 4.025 9.625 -11.149 1.00 0.00 C ATOM 1087 CG ASP A 72 3.420 10.088 -12.459 1.00 0.00 C ATOM 1088 OD1 ASP A 72 2.278 10.594 -12.440 1.00 0.00 O ATOM 1089 OD2 ASP A 72 4.089 9.947 -13.504 1.00 0.00 O ATOM 0 H ASP A 72 1.718 9.166 -10.419 1.00 0.00 H new ATOM 0 HA ASP A 72 3.652 7.560 -11.615 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.758 10.328 -10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 72 5.112 9.635 -11.231 1.00 0.00 H new ATOM 1094 N GLU A 73 4.162 8.114 -8.406 1.00 0.00 N ATOM 1095 CA GLU A 73 4.928 7.672 -7.248 1.00 0.00 C ATOM 1096 C GLU A 73 4.936 6.149 -7.148 1.00 0.00 C ATOM 1097 O GLU A 73 5.987 5.515 -7.240 1.00 0.00 O ATOM 1098 CB GLU A 73 4.351 8.276 -5.965 1.00 0.00 C ATOM 1099 CG GLU A 73 4.858 9.677 -5.669 1.00 0.00 C ATOM 1100 CD GLU A 73 4.488 10.149 -4.277 1.00 0.00 C ATOM 1101 OE1 GLU A 73 4.584 9.340 -3.331 1.00 0.00 O ATOM 1102 OE2 GLU A 73 4.102 11.329 -4.132 1.00 0.00 O ATOM 0 H GLU A 73 3.413 8.772 -8.190 1.00 0.00 H new ATOM 0 HA GLU A 73 5.955 8.015 -7.373 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.264 8.301 -6.042 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.596 7.625 -5.125 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.942 9.698 -5.779 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.449 10.370 -6.404 1.00 0.00 H new ATOM 1109 N PHE A 74 3.755 5.570 -6.960 1.00 0.00 N ATOM 1110 CA PHE A 74 3.624 4.122 -6.847 1.00 0.00 C ATOM 1111 C PHE A 74 4.218 3.425 -8.067 1.00 0.00 C ATOM 1112 O PHE A 74 5.113 2.590 -7.943 1.00 0.00 O ATOM 1113 CB PHE A 74 2.153 3.733 -6.687 1.00 0.00 C ATOM 1114 CG PHE A 74 1.850 3.056 -5.381 1.00 0.00 C ATOM 1115 CD1 PHE A 74 0.809 3.499 -4.581 1.00 0.00 C ATOM 1116 CD2 PHE A 74 2.606 1.976 -4.953 1.00 0.00 C ATOM 1117 CE1 PHE A 74 0.527 2.877 -3.379 1.00 0.00 C ATOM 1118 CE2 PHE A 74 2.330 1.351 -3.752 1.00 0.00 C ATOM 1119 CZ PHE A 74 1.289 1.802 -2.963 1.00 0.00 C ATOM 0 H PHE A 74 2.875 6.081 -6.883 1.00 0.00 H new ATOM 0 HA PHE A 74 4.175 3.800 -5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 74 1.537 4.628 -6.774 1.00 0.00 H new ATOM 0 HB3 PHE A 74 1.870 3.070 -7.505 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.211 4.340 -4.900 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.421 1.619 -5.566 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.288 3.231 -2.766 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.927 0.511 -3.430 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.072 1.316 -2.024 1.00 0.00 H new ATOM 1129 N ILE A 75 3.710 3.773 -9.245 1.00 0.00 N ATOM 1130 CA ILE A 75 4.189 3.182 -10.487 1.00 0.00 C ATOM 1131 C ILE A 75 5.709 3.254 -10.580 1.00 0.00 C ATOM 1132 O ILE A 75 6.360 2.311 -11.033 1.00 0.00 O ATOM 1133 CB ILE A 75 3.578 3.882 -11.716 1.00 0.00 C ATOM 1134 CG1 ILE A 75 2.050 3.822 -11.658 1.00 0.00 C ATOM 1135 CG2 ILE A 75 4.090 3.243 -12.999 1.00 0.00 C ATOM 1136 CD1 ILE A 75 1.371 4.873 -12.506 1.00 0.00 C ATOM 0 H ILE A 75 2.967 4.461 -9.364 1.00 0.00 H new ATOM 0 HA ILE A 75 3.876 2.138 -10.480 1.00 0.00 H new ATOM 0 HB ILE A 75 3.882 4.929 -11.708 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.721 2.835 -11.984 1.00 0.00 H new ATOM 0 HG13 ILE A 75 1.729 3.939 -10.623 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.649 3.748 -13.858 1.00 0.00 H new ATOM 0 HG22 ILE A 75 5.175 3.333 -13.042 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.812 2.189 -13.016 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.290 4.770 -12.416 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.671 5.864 -12.166 1.00 0.00 H new ATOM 0 HD13 ILE A 75 1.662 4.743 -13.548 1.00 0.00 H new ATOM 1148 N LYS A 76 6.271 4.377 -10.146 1.00 0.00 N ATOM 1149 CA LYS A 76 7.715 4.571 -10.175 1.00 0.00 C ATOM 1150 C LYS A 76 8.424 3.519 -9.328 1.00 0.00 C ATOM 1151 O LYS A 76 9.368 2.874 -9.786 1.00 0.00 O ATOM 1152 CB LYS A 76 8.073 5.972 -9.673 1.00 0.00 C ATOM 1153 CG LYS A 76 8.099 7.024 -10.768 1.00 0.00 C ATOM 1154 CD LYS A 76 7.968 8.426 -10.198 1.00 0.00 C ATOM 1155 CE LYS A 76 8.032 9.481 -11.291 1.00 0.00 C ATOM 1156 NZ LYS A 76 7.638 10.826 -10.789 1.00 0.00 N ATOM 0 H LYS A 76 5.747 5.167 -9.770 1.00 0.00 H new ATOM 0 HA LYS A 76 8.049 4.465 -11.207 1.00 0.00 H new ATOM 0 HB2 LYS A 76 7.353 6.271 -8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 76 9.050 5.937 -9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.030 6.944 -11.329 1.00 0.00 H new ATOM 0 HG3 LYS A 76 7.287 6.839 -11.471 1.00 0.00 H new ATOM 0 HD2 LYS A 76 7.024 8.514 -9.661 1.00 0.00 H new ATOM 0 HD3 LYS A 76 8.764 8.601 -9.475 1.00 0.00 H new ATOM 0 HE2 LYS A 76 9.044 9.526 -11.693 1.00 0.00 H new ATOM 0 HE3 LYS A 76 7.375 9.193 -12.112 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 7.597 11.495 -11.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.703 10.768 -10.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 8.339 11.156 -10.095 1.00 0.00 H new ATOM 1170 N ILE A 77 7.963 3.352 -8.094 1.00 0.00 N ATOM 1171 CA ILE A 77 8.552 2.376 -7.185 1.00 0.00 C ATOM 1172 C ILE A 77 8.458 0.966 -7.757 1.00 0.00 C ATOM 1173 O ILE A 77 9.330 0.129 -7.520 1.00 0.00 O ATOM 1174 CB ILE A 77 7.865 2.405 -5.806 1.00 0.00 C ATOM 1175 CG1 ILE A 77 8.478 3.501 -4.931 1.00 0.00 C ATOM 1176 CG2 ILE A 77 7.983 1.049 -5.128 1.00 0.00 C ATOM 1177 CD1 ILE A 77 8.104 4.901 -5.366 1.00 0.00 C ATOM 0 H ILE A 77 7.184 3.879 -7.700 1.00 0.00 H new ATOM 0 HA ILE A 77 9.601 2.648 -7.066 1.00 0.00 H new ATOM 0 HB ILE A 77 6.807 2.628 -5.946 1.00 0.00 H new ATOM 0 HG12 ILE A 77 8.159 3.352 -3.899 1.00 0.00 H new ATOM 0 HG13 ILE A 77 9.563 3.402 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 77 7.493 1.085 -4.155 1.00 0.00 H new ATOM 0 HG22 ILE A 77 7.505 0.290 -5.747 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.036 0.799 -4.995 1.00 0.00 H new ATOM 0 HD11 ILE A 77 8.573 5.626 -4.701 1.00 0.00 H new ATOM 0 HD12 ILE A 77 8.448 5.069 -6.387 1.00 0.00 H new ATOM 0 HD13 ILE A 77 7.021 5.018 -5.324 1.00 0.00 H new ATOM 1189 N PHE A 78 7.396 0.708 -8.513 1.00 0.00 N ATOM 1190 CA PHE A 78 7.188 -0.601 -9.121 1.00 0.00 C ATOM 1191 C PHE A 78 8.179 -0.837 -10.256 1.00 0.00 C ATOM 1192 O PHE A 78 8.721 -1.933 -10.404 1.00 0.00 O ATOM 1193 CB PHE A 78 5.756 -0.722 -9.645 1.00 0.00 C ATOM 1194 CG PHE A 78 4.816 -1.379 -8.676 1.00 0.00 C ATOM 1195 CD1 PHE A 78 4.932 -1.149 -7.314 1.00 0.00 C ATOM 1196 CD2 PHE A 78 3.815 -2.225 -9.126 1.00 0.00 C ATOM 1197 CE1 PHE A 78 4.068 -1.752 -6.419 1.00 0.00 C ATOM 1198 CE2 PHE A 78 2.948 -2.830 -8.236 1.00 0.00 C ATOM 1199 CZ PHE A 78 3.076 -2.594 -6.880 1.00 0.00 C ATOM 0 H PHE A 78 6.665 1.389 -8.719 1.00 0.00 H new ATOM 0 HA PHE A 78 7.352 -1.360 -8.356 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.380 0.273 -9.885 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.765 -1.292 -10.574 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.706 -0.491 -6.948 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.711 -2.414 -10.184 1.00 0.00 H new ATOM 0 HE1 PHE A 78 4.169 -1.565 -5.360 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.171 -3.486 -8.600 1.00 0.00 H new ATOM 0 HZ PHE A 78 2.401 -3.068 -6.182 1.00 0.00 H new ATOM 1209 N HIS A 79 8.412 0.200 -11.056 1.00 0.00 N ATOM 1210 CA HIS A 79 9.338 0.106 -12.178 1.00 0.00 C ATOM 1211 C HIS A 79 10.782 0.244 -11.705 1.00 0.00 C ATOM 1212 O HIS A 79 11.716 -0.119 -12.417 1.00 0.00 O ATOM 1213 CB HIS A 79 9.024 1.183 -13.218 1.00 0.00 C ATOM 1214 CG HIS A 79 8.322 0.658 -14.432 1.00 0.00 C ATOM 1215 ND1 HIS A 79 8.862 0.719 -15.699 1.00 0.00 N ATOM 1216 CD2 HIS A 79 7.117 0.057 -14.566 1.00 0.00 C ATOM 1217 CE1 HIS A 79 8.019 0.181 -16.561 1.00 0.00 C ATOM 1218 NE2 HIS A 79 6.952 -0.229 -15.900 1.00 0.00 N ATOM 0 H HIS A 79 7.972 1.114 -10.947 1.00 0.00 H new ATOM 0 HA HIS A 79 9.217 -0.876 -12.635 1.00 0.00 H new ATOM 0 HB2 HIS A 79 8.406 1.953 -12.756 1.00 0.00 H new ATOM 0 HB3 HIS A 79 9.954 1.662 -13.525 1.00 0.00 H new ATOM 0 HD2 HIS A 79 6.416 -0.158 -13.773 1.00 0.00 H new ATOM 0 HE1 HIS A 79 8.176 0.091 -17.626 1.00 0.00 H new ATOM 0 HE2 HIS A 79 6.138 -0.684 -16.312 1.00 0.00 H new ATOM 1226 N GLY A 80 10.956 0.774 -10.498 1.00 0.00 N ATOM 1227 CA GLY A 80 12.288 0.952 -9.951 1.00 0.00 C ATOM 1228 C GLY A 80 12.724 -0.221 -9.095 1.00 0.00 C ATOM 1229 O GLY A 80 13.748 -0.849 -9.366 1.00 0.00 O ATOM 0 H GLY A 80 10.198 1.083 -9.889 1.00 0.00 H new ATOM 0 HA2 GLY A 80 12.998 1.086 -10.767 1.00 0.00 H new ATOM 0 HA3 GLY A 80 12.313 1.863 -9.354 1.00 0.00 H new ATOM 1233 N LEU A 81 11.949 -0.515 -8.058 1.00 0.00 N ATOM 1234 CA LEU A 81 12.262 -1.619 -7.157 1.00 0.00 C ATOM 1235 C LEU A 81 11.374 -2.825 -7.446 1.00 0.00 C ATOM 1236 O LEU A 81 10.278 -2.949 -6.899 1.00 0.00 O ATOM 1237 CB LEU A 81 12.090 -1.181 -5.702 1.00 0.00 C ATOM 1238 CG LEU A 81 12.685 0.180 -5.335 1.00 0.00 C ATOM 1239 CD1 LEU A 81 12.165 0.642 -3.983 1.00 0.00 C ATOM 1240 CD2 LEU A 81 14.205 0.114 -5.331 1.00 0.00 C ATOM 0 H LEU A 81 11.099 -0.004 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 81 13.300 -1.907 -7.322 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.025 -1.163 -5.473 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.542 -1.937 -5.060 1.00 0.00 H new ATOM 0 HG LEU A 81 12.376 0.906 -6.087 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.599 1.612 -3.738 1.00 0.00 H new ATOM 0 HD12 LEU A 81 11.079 0.729 -4.021 1.00 0.00 H new ATOM 0 HD13 LEU A 81 12.444 -0.083 -3.219 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.611 1.091 -5.068 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.535 -0.625 -4.601 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.559 -0.171 -6.321 1.00 0.00 H new ATOM 1252 N LYS A 82 11.856 -3.715 -8.308 1.00 0.00 N ATOM 1253 CA LYS A 82 11.108 -4.914 -8.666 1.00 0.00 C ATOM 1254 C LYS A 82 11.441 -6.067 -7.724 1.00 0.00 C ATOM 1255 O LYS A 82 12.438 -6.023 -7.003 1.00 0.00 O ATOM 1256 CB LYS A 82 11.416 -5.318 -10.111 1.00 0.00 C ATOM 1257 CG LYS A 82 10.229 -5.926 -10.838 1.00 0.00 C ATOM 1258 CD LYS A 82 9.103 -4.920 -11.007 1.00 0.00 C ATOM 1259 CE LYS A 82 8.059 -5.412 -11.997 1.00 0.00 C ATOM 1260 NZ LYS A 82 7.120 -6.386 -11.374 1.00 0.00 N ATOM 0 H LYS A 82 12.761 -3.628 -8.771 1.00 0.00 H new ATOM 0 HA LYS A 82 10.045 -4.689 -8.574 1.00 0.00 H new ATOM 0 HB2 LYS A 82 11.757 -4.440 -10.660 1.00 0.00 H new ATOM 0 HB3 LYS A 82 12.238 -6.034 -10.112 1.00 0.00 H new ATOM 0 HG2 LYS A 82 10.546 -6.286 -11.817 1.00 0.00 H new ATOM 0 HG3 LYS A 82 9.865 -6.791 -10.283 1.00 0.00 H new ATOM 0 HD2 LYS A 82 8.632 -4.735 -10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 82 9.512 -3.969 -11.350 1.00 0.00 H new ATOM 0 HE2 LYS A 82 7.497 -4.562 -12.384 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.556 -5.879 -12.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 6.424 -6.698 -12.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.653 -7.209 -11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.627 -5.933 -10.579 1.00 0.00 H new ATOM 1274 N SER A 83 10.601 -7.096 -7.735 1.00 0.00 N ATOM 1275 CA SER A 83 10.806 -8.259 -6.879 1.00 0.00 C ATOM 1276 C SER A 83 10.725 -7.870 -5.406 1.00 0.00 C ATOM 1277 O SER A 83 11.519 -8.331 -4.585 1.00 0.00 O ATOM 1278 CB SER A 83 12.161 -8.904 -7.174 1.00 0.00 C ATOM 1279 OG SER A 83 12.440 -8.894 -8.563 1.00 0.00 O ATOM 0 H SER A 83 9.772 -7.149 -8.327 1.00 0.00 H new ATOM 0 HA SER A 83 10.016 -8.979 -7.091 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.946 -8.370 -6.639 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.166 -9.930 -6.806 1.00 0.00 H new ATOM 0 HG SER A 83 13.312 -9.310 -8.724 1.00 0.00 H new ATOM 1285 N THR A 84 9.760 -7.017 -5.078 1.00 0.00 N ATOM 1286 CA THR A 84 9.574 -6.564 -3.705 1.00 0.00 C ATOM 1287 C THR A 84 8.325 -7.182 -3.086 1.00 0.00 C ATOM 1288 O THR A 84 7.321 -7.390 -3.768 1.00 0.00 O ATOM 1289 CB THR A 84 9.465 -5.030 -3.629 1.00 0.00 C ATOM 1290 OG1 THR A 84 10.081 -4.439 -4.779 1.00 0.00 O ATOM 1291 CG2 THR A 84 10.127 -4.502 -2.366 1.00 0.00 C ATOM 0 H THR A 84 9.095 -6.626 -5.745 1.00 0.00 H new ATOM 0 HA THR A 84 10.452 -6.887 -3.145 1.00 0.00 H new ATOM 0 HB THR A 84 8.408 -4.763 -3.604 1.00 0.00 H new ATOM 0 HG1 THR A 84 9.485 -3.759 -5.156 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.037 -3.416 -2.335 1.00 0.00 H new ATOM 0 HG22 THR A 84 9.638 -4.932 -1.492 1.00 0.00 H new ATOM 0 HG23 THR A 84 11.181 -4.779 -2.365 1.00 0.00 H new ATOM 1299 N ASP A 85 8.392 -7.471 -1.792 1.00 0.00 N ATOM 1300 CA ASP A 85 7.266 -8.063 -1.081 1.00 0.00 C ATOM 1301 C ASP A 85 6.067 -7.119 -1.080 1.00 0.00 C ATOM 1302 O ASP A 85 4.928 -7.546 -1.271 1.00 0.00 O ATOM 1303 CB ASP A 85 7.664 -8.402 0.357 1.00 0.00 C ATOM 1304 CG ASP A 85 9.049 -9.012 0.445 1.00 0.00 C ATOM 1305 OD1 ASP A 85 9.186 -10.221 0.163 1.00 0.00 O ATOM 1306 OD2 ASP A 85 9.997 -8.279 0.796 1.00 0.00 O ATOM 0 H ASP A 85 9.215 -7.305 -1.213 1.00 0.00 H new ATOM 0 HA ASP A 85 6.984 -8.980 -1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 85 7.629 -7.497 0.964 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.937 -9.096 0.778 1.00 0.00 H new ATOM 1311 N VAL A 86 6.331 -5.835 -0.863 1.00 0.00 N ATOM 1312 CA VAL A 86 5.275 -4.830 -0.838 1.00 0.00 C ATOM 1313 C VAL A 86 4.643 -4.662 -2.216 1.00 0.00 C ATOM 1314 O VAL A 86 3.430 -4.494 -2.337 1.00 0.00 O ATOM 1315 CB VAL A 86 5.808 -3.467 -0.360 1.00 0.00 C ATOM 1316 CG1 VAL A 86 6.262 -3.549 1.089 1.00 0.00 C ATOM 1317 CG2 VAL A 86 6.943 -2.994 -1.256 1.00 0.00 C ATOM 0 H VAL A 86 7.268 -5.466 -0.702 1.00 0.00 H new ATOM 0 HA VAL A 86 4.520 -5.182 -0.136 1.00 0.00 H new ATOM 0 HB VAL A 86 4.999 -2.739 -0.422 1.00 0.00 H new ATOM 0 HG11 VAL A 86 6.635 -2.576 1.409 1.00 0.00 H new ATOM 0 HG12 VAL A 86 5.421 -3.839 1.718 1.00 0.00 H new ATOM 0 HG13 VAL A 86 7.056 -4.290 1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 86 7.307 -2.029 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL A 86 7.755 -3.721 -1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 86 6.581 -2.893 -2.279 1.00 0.00 H new ATOM 1327 N ALA A 87 5.475 -4.709 -3.251 1.00 0.00 N ATOM 1328 CA ALA A 87 4.998 -4.564 -4.621 1.00 0.00 C ATOM 1329 C ALA A 87 4.081 -5.720 -5.008 1.00 0.00 C ATOM 1330 O ALA A 87 2.934 -5.511 -5.404 1.00 0.00 O ATOM 1331 CB ALA A 87 6.173 -4.476 -5.582 1.00 0.00 C ATOM 0 H ALA A 87 6.482 -4.846 -3.167 1.00 0.00 H new ATOM 0 HA ALA A 87 4.422 -3.641 -4.683 1.00 0.00 H new ATOM 0 HB1 ALA A 87 5.802 -4.368 -6.601 1.00 0.00 H new ATOM 0 HB2 ALA A 87 6.788 -3.613 -5.326 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.772 -5.384 -5.508 1.00 0.00 H new ATOM 1337 N LYS A 88 4.594 -6.939 -4.891 1.00 0.00 N ATOM 1338 CA LYS A 88 3.821 -8.130 -5.228 1.00 0.00 C ATOM 1339 C LYS A 88 2.541 -8.200 -4.402 1.00 0.00 C ATOM 1340 O LYS A 88 1.456 -8.435 -4.936 1.00 0.00 O ATOM 1341 CB LYS A 88 4.659 -9.389 -4.996 1.00 0.00 C ATOM 1342 CG LYS A 88 3.944 -10.674 -5.375 1.00 0.00 C ATOM 1343 CD LYS A 88 4.530 -11.874 -4.648 1.00 0.00 C ATOM 1344 CE LYS A 88 4.260 -13.168 -5.400 1.00 0.00 C ATOM 1345 NZ LYS A 88 5.319 -13.456 -6.406 1.00 0.00 N ATOM 0 H LYS A 88 5.542 -7.130 -4.565 1.00 0.00 H new ATOM 0 HA LYS A 88 3.550 -8.070 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 88 5.581 -9.313 -5.572 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.943 -9.438 -3.945 1.00 0.00 H new ATOM 0 HG2 LYS A 88 2.884 -10.585 -5.137 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.017 -10.828 -6.452 1.00 0.00 H new ATOM 0 HD2 LYS A 88 5.605 -11.739 -4.529 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.104 -11.938 -3.647 1.00 0.00 H new ATOM 0 HE2 LYS A 88 4.198 -13.994 -4.691 1.00 0.00 H new ATOM 0 HE3 LYS A 88 3.293 -13.103 -5.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 5.099 -14.346 -6.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 5.361 -12.680 -7.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.238 -13.543 -5.927 1.00 0.00 H new ATOM 1359 N THR A 89 2.672 -7.992 -3.096 1.00 0.00 N ATOM 1360 CA THR A 89 1.526 -8.031 -2.196 1.00 0.00 C ATOM 1361 C THR A 89 0.486 -6.988 -2.586 1.00 0.00 C ATOM 1362 O THR A 89 -0.717 -7.243 -2.528 1.00 0.00 O ATOM 1363 CB THR A 89 1.951 -7.796 -0.734 1.00 0.00 C ATOM 1364 OG1 THR A 89 2.868 -8.814 -0.320 1.00 0.00 O ATOM 1365 CG2 THR A 89 0.740 -7.791 0.187 1.00 0.00 C ATOM 0 H THR A 89 3.561 -7.795 -2.637 1.00 0.00 H new ATOM 0 HA THR A 89 1.089 -9.026 -2.283 1.00 0.00 H new ATOM 0 HB THR A 89 2.439 -6.823 -0.672 1.00 0.00 H new ATOM 0 HG1 THR A 89 3.787 -8.493 -0.434 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.065 -7.623 1.214 1.00 0.00 H new ATOM 0 HG22 THR A 89 0.058 -6.995 -0.113 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.228 -8.751 0.120 1.00 0.00 H new ATOM 1373 N PHE A 90 0.956 -5.809 -2.984 1.00 0.00 N ATOM 1374 CA PHE A 90 0.066 -4.726 -3.385 1.00 0.00 C ATOM 1375 C PHE A 90 -0.749 -5.117 -4.613 1.00 0.00 C ATOM 1376 O PHE A 90 -1.979 -5.163 -4.566 1.00 0.00 O ATOM 1377 CB PHE A 90 0.871 -3.458 -3.675 1.00 0.00 C ATOM 1378 CG PHE A 90 0.066 -2.376 -4.338 1.00 0.00 C ATOM 1379 CD1 PHE A 90 -0.057 -2.333 -5.718 1.00 0.00 C ATOM 1380 CD2 PHE A 90 -0.567 -1.403 -3.582 1.00 0.00 C ATOM 1381 CE1 PHE A 90 -0.796 -1.340 -6.331 1.00 0.00 C ATOM 1382 CE2 PHE A 90 -1.308 -0.408 -4.190 1.00 0.00 C ATOM 1383 CZ PHE A 90 -1.422 -0.376 -5.566 1.00 0.00 C ATOM 0 H PHE A 90 1.949 -5.580 -3.037 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.622 -4.531 -2.562 1.00 0.00 H new ATOM 0 HB2 PHE A 90 1.280 -3.075 -2.740 1.00 0.00 H new ATOM 0 HB3 PHE A 90 1.718 -3.712 -4.312 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.431 -3.085 -6.321 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.480 -1.422 -2.506 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -0.884 -1.318 -7.407 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -1.798 0.344 -3.590 1.00 0.00 H new ATOM 0 HZ PHE A 90 -2.000 0.402 -6.043 1.00 0.00 H new ATOM 1393 N ARG A 91 -0.056 -5.399 -5.711 1.00 0.00 N ATOM 1394 CA ARG A 91 -0.715 -5.785 -6.953 1.00 0.00 C ATOM 1395 C ARG A 91 -1.691 -6.935 -6.717 1.00 0.00 C ATOM 1396 O ARG A 91 -2.794 -6.949 -7.262 1.00 0.00 O ATOM 1397 CB ARG A 91 0.323 -6.190 -8.002 1.00 0.00 C ATOM 1398 CG ARG A 91 0.201 -5.423 -9.307 1.00 0.00 C ATOM 1399 CD ARG A 91 1.456 -5.562 -10.155 1.00 0.00 C ATOM 1400 NE ARG A 91 1.364 -4.802 -11.399 1.00 0.00 N ATOM 1401 CZ ARG A 91 2.105 -5.056 -12.471 1.00 0.00 C ATOM 1402 NH1 ARG A 91 2.989 -6.042 -12.452 1.00 0.00 N ATOM 1403 NH2 ARG A 91 1.963 -4.320 -13.567 1.00 0.00 N ATOM 0 H ARG A 91 0.962 -5.367 -5.766 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.276 -4.925 -7.319 1.00 0.00 H new ATOM 0 HB2 ARG A 91 1.321 -6.036 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 91 0.224 -7.256 -8.206 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.660 -5.789 -9.866 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.019 -4.369 -9.095 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.319 -5.219 -9.584 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.623 -6.614 -10.385 1.00 0.00 H new ATOM 0 HE ARG A 91 0.694 -4.034 -11.447 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.102 -6.609 -11.612 1.00 0.00 H new ATOM 0 HH12 ARG A 91 3.556 -6.234 -13.278 1.00 0.00 H new ATOM 0 HH21 ARG A 91 1.284 -3.559 -13.586 1.00 0.00 H new ATOM 0 HH22 ARG A 91 2.533 -4.516 -14.390 1.00 0.00 H new ATOM 1417 N LYS A 92 -1.276 -7.898 -5.900 1.00 0.00 N ATOM 1418 CA LYS A 92 -2.112 -9.051 -5.590 1.00 0.00 C ATOM 1419 C LYS A 92 -3.335 -8.634 -4.781 1.00 0.00 C ATOM 1420 O LYS A 92 -4.470 -8.783 -5.233 1.00 0.00 O ATOM 1421 CB LYS A 92 -1.306 -10.096 -4.815 1.00 0.00 C ATOM 1422 CG LYS A 92 -0.371 -10.913 -5.688 1.00 0.00 C ATOM 1423 CD LYS A 92 -0.106 -12.285 -5.089 1.00 0.00 C ATOM 1424 CE LYS A 92 0.284 -13.294 -6.159 1.00 0.00 C ATOM 1425 NZ LYS A 92 0.642 -14.614 -5.572 1.00 0.00 N ATOM 0 H LYS A 92 -0.365 -7.902 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 92 -2.452 -9.486 -6.530 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.723 -9.594 -4.043 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -1.995 -10.770 -4.306 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.805 -11.026 -6.681 1.00 0.00 H new ATOM 0 HG3 LYS A 92 0.572 -10.380 -5.811 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.690 -12.212 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -0.997 -12.633 -4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -0.543 -13.420 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 92 1.129 -12.909 -6.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 0.902 -15.273 -6.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.447 -14.499 -4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.172 -14.993 -5.048 1.00 0.00 H new ATOM 1439 N ALA A 93 -3.097 -8.109 -3.583 1.00 0.00 N ATOM 1440 CA ALA A 93 -4.181 -7.667 -2.714 1.00 0.00 C ATOM 1441 C ALA A 93 -5.130 -6.731 -3.451 1.00 0.00 C ATOM 1442 O ALA A 93 -6.334 -6.980 -3.522 1.00 0.00 O ATOM 1443 CB ALA A 93 -3.618 -6.985 -1.476 1.00 0.00 C ATOM 0 H ALA A 93 -2.164 -7.980 -3.193 1.00 0.00 H new ATOM 0 HA ALA A 93 -4.748 -8.545 -2.406 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -4.438 -6.660 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -2.987 -7.686 -0.930 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -3.026 -6.120 -1.775 1.00 0.00 H new ATOM 1449 N ILE A 94 -4.581 -5.652 -4.000 1.00 0.00 N ATOM 1450 CA ILE A 94 -5.380 -4.677 -4.733 1.00 0.00 C ATOM 1451 C ILE A 94 -6.210 -5.353 -5.819 1.00 0.00 C ATOM 1452 O ILE A 94 -7.270 -4.860 -6.200 1.00 0.00 O ATOM 1453 CB ILE A 94 -4.495 -3.594 -5.378 1.00 0.00 C ATOM 1454 CG1 ILE A 94 -5.177 -2.227 -5.289 1.00 0.00 C ATOM 1455 CG2 ILE A 94 -4.194 -3.950 -6.826 1.00 0.00 C ATOM 1456 CD1 ILE A 94 -4.447 -1.244 -4.402 1.00 0.00 C ATOM 0 H ILE A 94 -3.586 -5.431 -3.951 1.00 0.00 H new ATOM 0 HA ILE A 94 -6.046 -4.206 -4.010 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.552 -3.544 -4.833 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -5.262 -1.806 -6.291 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -6.191 -2.360 -4.912 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -3.568 -3.175 -7.269 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.671 -4.906 -6.865 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -5.127 -4.025 -7.384 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -4.987 -0.297 -4.386 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -4.385 -1.644 -3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -3.441 -1.081 -4.790 1.00 0.00 H new ATOM 1468 N ASN A 95 -5.720 -6.485 -6.312 1.00 0.00 N ATOM 1469 CA ASN A 95 -6.418 -7.230 -7.354 1.00 0.00 C ATOM 1470 C ASN A 95 -7.548 -8.067 -6.761 1.00 0.00 C ATOM 1471 O ASN A 95 -8.635 -8.154 -7.331 1.00 0.00 O ATOM 1472 CB ASN A 95 -5.439 -8.135 -8.104 1.00 0.00 C ATOM 1473 CG ASN A 95 -4.942 -7.507 -9.393 1.00 0.00 C ATOM 1474 OD1 ASN A 95 -5.641 -6.707 -10.016 1.00 0.00 O ATOM 1475 ND2 ASN A 95 -3.730 -7.868 -9.798 1.00 0.00 N ATOM 0 H ASN A 95 -4.843 -6.907 -6.007 1.00 0.00 H new ATOM 0 HA ASN A 95 -6.849 -6.513 -8.052 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -4.588 -8.358 -7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -5.925 -9.084 -8.329 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -3.343 -7.479 -10.658 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -3.186 -8.534 -9.249 1.00 0.00 H new ATOM 1482 N LYS A 96 -7.283 -8.680 -5.613 1.00 0.00 N ATOM 1483 CA LYS A 96 -8.277 -9.508 -4.940 1.00 0.00 C ATOM 1484 C LYS A 96 -9.552 -8.715 -4.668 1.00 0.00 C ATOM 1485 O LYS A 96 -10.659 -9.242 -4.782 1.00 0.00 O ATOM 1486 CB LYS A 96 -7.713 -10.052 -3.626 1.00 0.00 C ATOM 1487 CG LYS A 96 -6.514 -10.967 -3.811 1.00 0.00 C ATOM 1488 CD LYS A 96 -6.289 -11.845 -2.592 1.00 0.00 C ATOM 1489 CE LYS A 96 -7.128 -13.112 -2.653 1.00 0.00 C ATOM 1490 NZ LYS A 96 -6.489 -14.237 -1.916 1.00 0.00 N ATOM 0 H LYS A 96 -6.387 -8.619 -5.128 1.00 0.00 H new ATOM 0 HA LYS A 96 -8.522 -10.343 -5.597 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -7.426 -9.215 -2.989 1.00 0.00 H new ATOM 0 HB3 LYS A 96 -8.498 -10.597 -3.101 1.00 0.00 H new ATOM 0 HG2 LYS A 96 -6.666 -11.594 -4.689 1.00 0.00 H new ATOM 0 HG3 LYS A 96 -5.623 -10.367 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -5.234 -12.109 -2.523 1.00 0.00 H new ATOM 0 HD3 LYS A 96 -6.537 -11.286 -1.690 1.00 0.00 H new ATOM 0 HE2 LYS A 96 -8.114 -12.915 -2.232 1.00 0.00 H new ATOM 0 HE3 LYS A 96 -7.278 -13.398 -3.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 -7.092 -15.082 -1.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 -5.559 -14.442 -2.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -6.369 -13.974 -0.917 1.00 0.00 H new ATOM 1504 N LYS A 97 -9.389 -7.446 -4.311 1.00 0.00 N ATOM 1505 CA LYS A 97 -10.525 -6.579 -4.025 1.00 0.00 C ATOM 1506 C LYS A 97 -10.618 -5.450 -5.046 1.00 0.00 C ATOM 1507 O LYS A 97 -11.678 -4.839 -5.172 1.00 0.00 O ATOM 1508 CB LYS A 97 -10.408 -5.996 -2.615 1.00 0.00 C ATOM 1509 CG LYS A 97 -10.825 -6.964 -1.521 1.00 0.00 C ATOM 1510 CD LYS A 97 -9.675 -7.868 -1.108 1.00 0.00 C ATOM 1511 CE LYS A 97 -10.172 -9.239 -0.674 1.00 0.00 C ATOM 1512 NZ LYS A 97 -11.165 -9.144 0.431 1.00 0.00 N ATOM 0 H LYS A 97 -8.480 -6.995 -4.213 1.00 0.00 H new ATOM 0 HA LYS A 97 -11.432 -7.180 -4.089 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -9.377 -5.688 -2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -11.024 -5.099 -2.549 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -11.179 -6.405 -0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -11.659 -7.572 -1.870 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -8.980 -7.978 -1.941 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -9.122 -7.405 -0.291 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -10.624 -9.748 -1.526 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.326 -9.847 -0.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.339 -10.091 0.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -10.795 -8.522 1.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -12.056 -8.752 0.064 1.00 0.00 H new TER 1526 LYS A 97 HETATM 1527 CA CA A 101 -7.562 8.121 -1.967 1.00 0.00 CA HETATM 1528 CA CA A 102 4.985 11.506 -1.200 1.00 0.00 CA