USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 801 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 78 LYS NZ :NH3+ -173:sc= 0.0112 (180deg=0) USER MOD Set 1.2: A 86 THR OG1 : rot -60:sc= -2.43 USER MOD Set 2.1: A 71 ASN : amide:sc= -5.62! C(o=-5.5!,f=-7.9!) USER MOD Set 2.2: A 90 SER OG : rot 120:sc= 0.131 USER MOD Set 3.1: A 31 LYS NZ :NH3+ -158:sc= -0.0228 (180deg=-0.246) USER MOD Set 3.2: A 33 ASN : amide:sc= -1.88 K(o=-1.8,f=-7.1!) USER MOD Set 3.3: A 36 LYS NZ :NH3+ -150:sc= 0.134 (180deg=0) USER MOD Set 3.4: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.1: A 19 ASN :FLIP amide:sc= -0.214 F(o=-0.63!,f=2.3) USER MOD Set 4.2: A 21 SER OG : rot -34:sc= 1.38 USER MOD Set 4.3: A 57 LYS NZ :NH3+ -136:sc= 1.17 (180deg=-2.87) USER MOD Single : A 8 THR OG1 : rot 60:sc= 0.964 USER MOD Single : A 13 THR OG1 : rot 180:sc= -2.76! USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN :FLIP amide:sc= -0.515 F(o=-1.8,f=-0.52) USER MOD Single : A 39 HIS :FLIP no HD1:sc= -0.161 F(o=-0.92,f=-0.16) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -0.309 F(o=-1.1,f=-0.31) USER MOD Single : A 56 SER OG : rot -81:sc= 0.5 USER MOD Single : A 64 ASN : amide:sc= -1.33 X(o=-1.3,f=-1.3) USER MOD Single : A 66 GLN : amide:sc= -0.55 X(o=-0.55,f=-0.47) USER MOD Single : A 74 SER OG : rot 57:sc= 1.2 USER MOD Single : A 80 ASN : amide:sc= 0.0655 K(o=0.066,f=-1.5) USER MOD Single : A 81 GLN :FLIP amide:sc= -0.105 F(o=-1.1,f=-0.11) USER MOD Single : A 84 MET CE :methyl -124:sc= -5.81! (180deg=-11.1!) USER MOD Single : A 91 MET CE :methyl 178:sc= -10! (180deg=-10.2!) USER MOD Single : A 92 SER OG : rot 73:sc= 1.24 USER MOD Single : A 93 THR OG1 : rot -65:sc= 0.477 USER MOD Single : A 96 ASN :FLIP amide:sc= -5.17! C(o=-8!,f=-5.2!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 MET CE :methyl -166:sc= -9.12! (180deg=-9.84!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 7 -4.892 -9.375 -16.796 1.00 0.00 N ATOM 2 CA GLY A 7 -6.109 -10.049 -16.388 1.00 0.00 C ATOM 3 C GLY A 7 -6.700 -9.462 -15.119 1.00 0.00 C ATOM 4 O GLY A 7 -7.801 -8.915 -15.137 1.00 0.00 O ATOM 0 HA2 GLY A 7 -6.843 -9.984 -17.191 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.900 -11.107 -16.232 1.00 0.00 H new ATOM 8 N THR A 8 -5.965 -9.578 -14.018 1.00 0.00 N ATOM 9 CA THR A 8 -6.419 -9.054 -12.735 1.00 0.00 C ATOM 10 C THR A 8 -5.237 -8.732 -11.826 1.00 0.00 C ATOM 11 O THR A 8 -5.163 -9.205 -10.692 1.00 0.00 O ATOM 12 CB THR A 8 -7.349 -10.054 -12.046 1.00 0.00 C ATOM 13 OG1 THR A 8 -6.606 -11.100 -11.447 1.00 0.00 O ATOM 14 CG2 THR A 8 -8.360 -10.684 -12.981 1.00 0.00 C ATOM 0 H THR A 8 -5.051 -10.031 -13.989 1.00 0.00 H new ATOM 0 HA THR A 8 -6.968 -8.132 -12.926 1.00 0.00 H new ATOM 0 HB THR A 8 -7.888 -9.473 -11.298 1.00 0.00 H new ATOM 0 HG1 THR A 8 -5.995 -10.726 -10.778 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.985 -11.382 -12.424 1.00 0.00 H new ATOM 0 HG22 THR A 8 -8.985 -9.906 -13.418 1.00 0.00 H new ATOM 0 HG23 THR A 8 -7.838 -11.219 -13.775 1.00 0.00 H new ATOM 22 N ARG A 9 -4.314 -7.920 -12.332 1.00 0.00 N ATOM 23 CA ARG A 9 -3.134 -7.530 -11.567 1.00 0.00 C ATOM 24 C ARG A 9 -2.275 -6.553 -12.362 1.00 0.00 C ATOM 25 O ARG A 9 -1.625 -6.933 -13.335 1.00 0.00 O ATOM 26 CB ARG A 9 -2.313 -8.765 -11.188 1.00 0.00 C ATOM 27 CG ARG A 9 -2.284 -9.040 -9.693 1.00 0.00 C ATOM 28 CD ARG A 9 -0.870 -9.305 -9.199 1.00 0.00 C ATOM 29 NE ARG A 9 -0.455 -10.684 -9.446 1.00 0.00 N ATOM 30 CZ ARG A 9 0.814 -11.086 -9.451 1.00 0.00 C ATOM 31 NH1 ARG A 9 1.793 -10.220 -9.225 1.00 0.00 N ATOM 32 NH2 ARG A 9 1.105 -12.359 -9.684 1.00 0.00 N ATOM 0 H ARG A 9 -4.360 -7.519 -13.269 1.00 0.00 H new ATOM 0 HA ARG A 9 -3.467 -7.035 -10.655 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.723 -9.635 -11.701 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -1.291 -8.636 -11.545 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -2.703 -8.188 -9.158 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -2.915 -9.900 -9.468 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -0.179 -8.624 -9.695 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.813 -9.095 -8.131 1.00 0.00 H new ATOM 0 HE ARG A 9 -1.180 -11.379 -9.625 1.00 0.00 H new ATOM 0 HH11 ARG A 9 1.575 -9.240 -9.046 1.00 0.00 H new ATOM 0 HH12 ARG A 9 2.763 -10.534 -9.230 1.00 0.00 H new ATOM 0 HH21 ARG A 9 0.357 -13.029 -9.859 1.00 0.00 H new ATOM 0 HH22 ARG A 9 2.077 -12.667 -9.688 1.00 0.00 H new ATOM 46 N GLU A 10 -2.279 -5.292 -11.943 1.00 0.00 N ATOM 47 CA GLU A 10 -1.501 -4.262 -12.623 1.00 0.00 C ATOM 48 C GLU A 10 -0.884 -3.291 -11.621 1.00 0.00 C ATOM 49 O GLU A 10 -1.439 -3.053 -10.547 1.00 0.00 O ATOM 50 CB GLU A 10 -2.386 -3.498 -13.609 1.00 0.00 C ATOM 51 CG GLU A 10 -3.706 -3.038 -13.010 1.00 0.00 C ATOM 52 CD GLU A 10 -4.448 -2.070 -13.911 1.00 0.00 C ATOM 53 OE1 GLU A 10 -3.790 -1.405 -14.739 1.00 0.00 O ATOM 54 OE2 GLU A 10 -5.688 -1.977 -13.788 1.00 0.00 O ATOM 0 H GLU A 10 -2.810 -4.959 -11.139 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.694 -4.752 -13.168 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.840 -2.629 -13.976 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.589 -4.134 -14.471 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -4.336 -3.906 -12.818 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -3.518 -2.562 -12.048 1.00 0.00 H new ATOM 61 N PHE A 11 0.264 -2.729 -11.984 1.00 0.00 N ATOM 62 CA PHE A 11 0.955 -1.778 -11.122 1.00 0.00 C ATOM 63 C PHE A 11 0.403 -0.372 -11.328 1.00 0.00 C ATOM 64 O PHE A 11 -0.001 -0.011 -12.434 1.00 0.00 O ATOM 65 CB PHE A 11 2.459 -1.796 -11.408 1.00 0.00 C ATOM 66 CG PHE A 11 3.111 -3.116 -11.108 1.00 0.00 C ATOM 67 CD1 PHE A 11 2.914 -4.207 -11.940 1.00 0.00 C ATOM 68 CD2 PHE A 11 3.925 -3.264 -9.996 1.00 0.00 C ATOM 69 CE1 PHE A 11 3.512 -5.421 -11.666 1.00 0.00 C ATOM 70 CE2 PHE A 11 4.525 -4.478 -9.717 1.00 0.00 C ATOM 71 CZ PHE A 11 4.321 -5.557 -10.553 1.00 0.00 C ATOM 0 H PHE A 11 0.735 -2.916 -12.869 1.00 0.00 H new ATOM 0 HA PHE A 11 0.789 -2.071 -10.085 1.00 0.00 H new ATOM 0 HB2 PHE A 11 2.624 -1.548 -12.457 1.00 0.00 H new ATOM 0 HB3 PHE A 11 2.942 -1.018 -10.817 1.00 0.00 H new ATOM 0 HD1 PHE A 11 2.286 -4.106 -12.813 1.00 0.00 H new ATOM 0 HD2 PHE A 11 4.092 -2.422 -9.341 1.00 0.00 H new ATOM 0 HE1 PHE A 11 3.348 -6.264 -12.321 1.00 0.00 H new ATOM 0 HE2 PHE A 11 5.153 -4.582 -8.845 1.00 0.00 H new ATOM 0 HZ PHE A 11 4.792 -6.505 -10.338 1.00 0.00 H new ATOM 81 N LEU A 12 0.380 0.417 -10.259 1.00 0.00 N ATOM 82 CA LEU A 12 -0.135 1.780 -10.333 1.00 0.00 C ATOM 83 C LEU A 12 0.835 2.772 -9.700 1.00 0.00 C ATOM 84 O LEU A 12 1.135 2.691 -8.508 1.00 0.00 O ATOM 85 CB LEU A 12 -1.497 1.871 -9.643 1.00 0.00 C ATOM 86 CG LEU A 12 -2.452 0.711 -9.937 1.00 0.00 C ATOM 87 CD1 LEU A 12 -3.261 0.359 -8.699 1.00 0.00 C ATOM 88 CD2 LEU A 12 -3.373 1.061 -11.095 1.00 0.00 C ATOM 0 H LEU A 12 0.710 0.138 -9.335 1.00 0.00 H new ATOM 0 HA LEU A 12 -0.248 2.038 -11.386 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.338 1.927 -8.566 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -1.978 2.802 -9.943 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.860 -0.160 -10.219 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.934 -0.467 -8.927 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -2.586 0.066 -7.895 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.843 1.226 -8.386 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.045 0.226 -11.291 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.958 1.945 -10.841 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -2.777 1.264 -11.985 1.00 0.00 H new ATOM 100 N THR A 13 1.312 3.716 -10.505 1.00 0.00 N ATOM 101 CA THR A 13 2.239 4.736 -10.029 1.00 0.00 C ATOM 102 C THR A 13 1.502 6.045 -9.778 1.00 0.00 C ATOM 103 O THR A 13 0.756 6.516 -10.638 1.00 0.00 O ATOM 104 CB THR A 13 3.358 4.959 -11.047 1.00 0.00 C ATOM 105 OG1 THR A 13 3.923 3.726 -11.452 1.00 0.00 O ATOM 106 CG2 THR A 13 4.476 5.830 -10.520 1.00 0.00 C ATOM 0 H THR A 13 1.071 3.796 -11.493 1.00 0.00 H new ATOM 0 HA THR A 13 2.678 4.390 -9.093 1.00 0.00 H new ATOM 0 HB THR A 13 2.888 5.468 -11.888 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.635 3.891 -12.104 1.00 0.00 H new ATOM 0 HG21 THR A 13 5.238 5.950 -11.290 1.00 0.00 H new ATOM 0 HG22 THR A 13 4.078 6.808 -10.248 1.00 0.00 H new ATOM 0 HG23 THR A 13 4.919 5.361 -9.641 1.00 0.00 H new ATOM 114 N PHE A 14 1.703 6.630 -8.602 1.00 0.00 N ATOM 115 CA PHE A 14 1.034 7.882 -8.264 1.00 0.00 C ATOM 116 C PHE A 14 1.984 8.877 -7.605 1.00 0.00 C ATOM 117 O PHE A 14 2.872 8.500 -6.839 1.00 0.00 O ATOM 118 CB PHE A 14 -0.153 7.609 -7.338 1.00 0.00 C ATOM 119 CG PHE A 14 -1.150 6.640 -7.905 1.00 0.00 C ATOM 120 CD1 PHE A 14 -1.567 6.745 -9.223 1.00 0.00 C ATOM 121 CD2 PHE A 14 -1.669 5.621 -7.121 1.00 0.00 C ATOM 122 CE1 PHE A 14 -2.484 5.855 -9.747 1.00 0.00 C ATOM 123 CE2 PHE A 14 -2.585 4.727 -7.640 1.00 0.00 C ATOM 124 CZ PHE A 14 -2.995 4.845 -8.955 1.00 0.00 C ATOM 0 H PHE A 14 2.316 6.263 -7.874 1.00 0.00 H new ATOM 0 HA PHE A 14 0.681 8.326 -9.195 1.00 0.00 H new ATOM 0 HB2 PHE A 14 0.219 7.221 -6.390 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.657 8.551 -7.121 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -1.170 7.532 -9.847 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -1.353 5.525 -6.093 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.801 5.949 -10.775 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -2.981 3.937 -7.019 1.00 0.00 H new ATOM 0 HZ PHE A 14 -3.713 4.149 -9.362 1.00 0.00 H new ATOM 134 N GLU A 15 1.771 10.156 -7.902 1.00 0.00 N ATOM 135 CA GLU A 15 2.581 11.232 -7.341 1.00 0.00 C ATOM 136 C GLU A 15 1.818 11.920 -6.214 1.00 0.00 C ATOM 137 O GLU A 15 0.845 12.631 -6.458 1.00 0.00 O ATOM 138 CB GLU A 15 2.937 12.246 -8.430 1.00 0.00 C ATOM 139 CG GLU A 15 3.658 11.630 -9.618 1.00 0.00 C ATOM 140 CD GLU A 15 2.710 11.236 -10.732 1.00 0.00 C ATOM 141 OE1 GLU A 15 1.556 10.863 -10.428 1.00 0.00 O ATOM 142 OE2 GLU A 15 3.120 11.297 -11.911 1.00 0.00 O ATOM 0 H GLU A 15 1.037 10.474 -8.534 1.00 0.00 H new ATOM 0 HA GLU A 15 3.503 10.810 -6.941 1.00 0.00 H new ATOM 0 HB2 GLU A 15 2.024 12.728 -8.779 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.564 13.026 -7.998 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.390 12.340 -10.003 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.210 10.750 -9.287 1.00 0.00 H new ATOM 149 N VAL A 16 2.252 11.691 -4.979 1.00 0.00 N ATOM 150 CA VAL A 16 1.589 12.278 -3.819 1.00 0.00 C ATOM 151 C VAL A 16 2.336 13.510 -3.315 1.00 0.00 C ATOM 152 O VAL A 16 3.444 13.401 -2.792 1.00 0.00 O ATOM 153 CB VAL A 16 1.455 11.263 -2.665 1.00 0.00 C ATOM 154 CG1 VAL A 16 0.214 11.560 -1.836 1.00 0.00 C ATOM 155 CG2 VAL A 16 1.414 9.834 -3.195 1.00 0.00 C ATOM 0 H VAL A 16 3.057 11.106 -4.755 1.00 0.00 H new ATOM 0 HA VAL A 16 0.593 12.572 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 16 2.332 11.361 -2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.135 10.834 -1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.288 12.564 -1.418 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.671 11.495 -2.469 1.00 0.00 H new ATOM 0 HG21 VAL A 16 1.319 9.139 -2.361 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.560 9.718 -3.863 1.00 0.00 H new ATOM 0 HG23 VAL A 16 2.333 9.622 -3.741 1.00 0.00 H new ATOM 165 N PRO A 17 1.739 14.707 -3.475 1.00 0.00 N ATOM 166 CA PRO A 17 2.354 15.963 -3.045 1.00 0.00 C ATOM 167 C PRO A 17 2.142 16.264 -1.564 1.00 0.00 C ATOM 168 O PRO A 17 1.103 16.796 -1.175 1.00 0.00 O ATOM 169 CB PRO A 17 1.630 16.999 -3.901 1.00 0.00 C ATOM 170 CG PRO A 17 0.264 16.434 -4.091 1.00 0.00 C ATOM 171 CD PRO A 17 0.420 14.933 -4.100 1.00 0.00 C ATOM 0 HA PRO A 17 3.437 15.945 -3.166 1.00 0.00 H new ATOM 0 HB2 PRO A 17 1.593 17.969 -3.405 1.00 0.00 H new ATOM 0 HB3 PRO A 17 2.135 17.148 -4.856 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -0.402 16.750 -3.288 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -0.174 16.784 -5.025 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -0.377 14.446 -3.538 1.00 0.00 H new ATOM 0 HD3 PRO A 17 0.385 14.534 -5.114 1.00 0.00 H new ATOM 179 N LEU A 18 3.143 15.948 -0.744 1.00 0.00 N ATOM 180 CA LEU A 18 3.065 16.213 0.691 1.00 0.00 C ATOM 181 C LEU A 18 3.622 17.593 1.013 1.00 0.00 C ATOM 182 O LEU A 18 4.061 17.856 2.132 1.00 0.00 O ATOM 183 CB LEU A 18 3.825 15.154 1.478 1.00 0.00 C ATOM 184 CG LEU A 18 5.338 15.222 1.331 1.00 0.00 C ATOM 185 CD1 LEU A 18 5.976 15.810 2.584 1.00 0.00 C ATOM 186 CD2 LEU A 18 5.904 13.841 1.037 1.00 0.00 C ATOM 0 H LEU A 18 4.013 15.510 -1.047 1.00 0.00 H new ATOM 0 HA LEU A 18 2.015 16.179 0.981 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.571 15.252 2.533 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.486 14.169 1.158 1.00 0.00 H new ATOM 0 HG LEU A 18 5.573 15.877 0.492 1.00 0.00 H new ATOM 0 HD11 LEU A 18 7.058 15.849 2.457 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.593 16.817 2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.734 15.185 3.443 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.987 13.906 0.935 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.657 13.165 1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.474 13.461 0.110 1.00 0.00 H new ATOM 198 N ASN A 19 3.589 18.463 0.015 1.00 0.00 N ATOM 199 CA ASN A 19 4.070 19.834 0.139 1.00 0.00 C ATOM 200 C ASN A 19 3.734 20.435 1.504 1.00 0.00 C ATOM 201 O ASN A 19 4.470 21.277 2.019 1.00 0.00 O ATOM 202 CB ASN A 19 3.450 20.685 -0.974 1.00 0.00 C ATOM 203 CG ASN A 19 1.982 21.006 -0.721 1.00 0.00 C ATOM 204 OD1 ASN A 19 1.182 19.979 -0.430 1.00 0.00 O flip ATOM 205 ND2 ASN A 19 1.572 22.165 -0.787 1.00 0.00 N flip ATOM 0 H ASN A 19 3.225 18.238 -0.911 1.00 0.00 H new ATOM 0 HA ASN A 19 5.156 19.824 0.046 1.00 0.00 H new ATOM 0 HB2 ASN A 19 4.010 21.615 -1.069 1.00 0.00 H new ATOM 0 HB3 ASN A 19 3.544 20.158 -1.924 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.217 22.922 -1.013 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.587 22.368 -0.616 1.00 0.00 H new ATOM 212 N ASP A 20 2.620 19.999 2.080 1.00 0.00 N ATOM 213 CA ASP A 20 2.190 20.497 3.381 1.00 0.00 C ATOM 214 C ASP A 20 1.476 19.410 4.178 1.00 0.00 C ATOM 215 O ASP A 20 0.721 19.703 5.105 1.00 0.00 O ATOM 216 CB ASP A 20 1.269 21.706 3.208 1.00 0.00 C ATOM 217 CG ASP A 20 0.120 21.427 2.261 1.00 0.00 C ATOM 218 OD1 ASP A 20 -0.195 20.237 2.045 1.00 0.00 O ATOM 219 OD2 ASP A 20 -0.466 22.397 1.736 1.00 0.00 O ATOM 0 H ASP A 20 1.999 19.303 1.668 1.00 0.00 H new ATOM 0 HA ASP A 20 3.079 20.800 3.935 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.872 21.999 4.180 1.00 0.00 H new ATOM 0 HB3 ASP A 20 1.848 22.550 2.833 1.00 0.00 H new ATOM 224 N SER A 21 1.719 18.154 3.815 1.00 0.00 N ATOM 225 CA SER A 21 1.100 17.029 4.499 1.00 0.00 C ATOM 226 C SER A 21 2.126 16.270 5.339 1.00 0.00 C ATOM 227 O SER A 21 1.765 15.472 6.205 1.00 0.00 O ATOM 228 CB SER A 21 0.452 16.088 3.483 1.00 0.00 C ATOM 229 OG SER A 21 -0.078 16.811 2.386 1.00 0.00 O ATOM 0 H SER A 21 2.341 17.892 3.050 1.00 0.00 H new ATOM 0 HA SER A 21 0.331 17.416 5.167 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.189 15.369 3.127 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.342 15.518 3.965 1.00 0.00 H new ATOM 0 HG SER A 21 -0.416 17.677 2.697 1.00 0.00 H new ATOM 235 N GLY A 22 3.408 16.523 5.080 1.00 0.00 N ATOM 236 CA GLY A 22 4.464 15.859 5.823 1.00 0.00 C ATOM 237 C GLY A 22 4.312 16.023 7.323 1.00 0.00 C ATOM 238 O GLY A 22 4.715 15.152 8.092 1.00 0.00 O ATOM 0 H GLY A 22 3.733 17.177 4.368 1.00 0.00 H new ATOM 0 HA2 GLY A 22 4.466 14.797 5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.429 16.260 5.513 1.00 0.00 H new ATOM 242 N SER A 23 3.722 17.142 7.740 1.00 0.00 N ATOM 243 CA SER A 23 3.512 17.413 9.160 1.00 0.00 C ATOM 244 C SER A 23 2.802 16.241 9.827 1.00 0.00 C ATOM 245 O SER A 23 3.046 15.935 10.996 1.00 0.00 O ATOM 246 CB SER A 23 2.693 18.692 9.342 1.00 0.00 C ATOM 247 OG SER A 23 1.402 18.557 8.772 1.00 0.00 O ATOM 0 H SER A 23 3.382 17.874 7.116 1.00 0.00 H new ATOM 0 HA SER A 23 4.485 17.547 9.632 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.603 18.922 10.404 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.213 19.530 8.878 1.00 0.00 H new ATOM 0 HG SER A 23 0.898 19.387 8.903 1.00 0.00 H new ATOM 253 N ALA A 24 1.931 15.584 9.071 1.00 0.00 N ATOM 254 CA ALA A 24 1.188 14.437 9.572 1.00 0.00 C ATOM 255 C ALA A 24 1.728 13.143 8.973 1.00 0.00 C ATOM 256 O ALA A 24 1.633 12.076 9.579 1.00 0.00 O ATOM 257 CB ALA A 24 -0.293 14.589 9.260 1.00 0.00 C ATOM 0 H ALA A 24 1.722 15.829 8.103 1.00 0.00 H new ATOM 0 HA ALA A 24 1.313 14.392 10.654 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.836 13.724 9.641 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.674 15.494 9.734 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.432 14.659 8.181 1.00 0.00 H new ATOM 263 N GLY A 25 2.298 13.249 7.775 1.00 0.00 N ATOM 264 CA GLY A 25 2.849 12.088 7.105 1.00 0.00 C ATOM 265 C GLY A 25 2.149 11.792 5.797 1.00 0.00 C ATOM 266 O GLY A 25 1.690 10.672 5.568 1.00 0.00 O ATOM 0 H GLY A 25 2.387 14.123 7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.911 12.250 6.918 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.769 11.221 7.761 1.00 0.00 H new ATOM 270 N LEU A 26 2.073 12.802 4.934 1.00 0.00 N ATOM 271 CA LEU A 26 1.433 12.665 3.628 1.00 0.00 C ATOM 272 C LEU A 26 -0.088 12.685 3.737 1.00 0.00 C ATOM 273 O LEU A 26 -0.749 13.519 3.119 1.00 0.00 O ATOM 274 CB LEU A 26 1.879 11.379 2.933 1.00 0.00 C ATOM 275 CG LEU A 26 1.543 11.313 1.444 1.00 0.00 C ATOM 276 CD1 LEU A 26 2.524 12.153 0.643 1.00 0.00 C ATOM 277 CD2 LEU A 26 1.547 9.874 0.959 1.00 0.00 C ATOM 0 H LEU A 26 2.450 13.732 5.118 1.00 0.00 H new ATOM 0 HA LEU A 26 1.745 13.522 3.032 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.957 11.271 3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.415 10.530 3.435 1.00 0.00 H new ATOM 0 HG LEU A 26 0.542 11.719 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.272 12.096 -0.416 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.470 13.190 0.974 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.535 11.776 0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.306 9.848 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.534 9.439 1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.804 9.301 1.514 1.00 0.00 H new ATOM 289 N GLY A 27 -0.642 11.757 4.508 1.00 0.00 N ATOM 290 CA GLY A 27 -2.077 11.688 4.659 1.00 0.00 C ATOM 291 C GLY A 27 -2.625 10.324 4.297 1.00 0.00 C ATOM 292 O GLY A 27 -3.604 10.218 3.563 1.00 0.00 O ATOM 0 H GLY A 27 -0.121 11.053 5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.344 11.923 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.544 12.444 4.028 1.00 0.00 H new ATOM 296 N VAL A 28 -1.993 9.280 4.827 1.00 0.00 N ATOM 297 CA VAL A 28 -2.423 7.905 4.572 1.00 0.00 C ATOM 298 C VAL A 28 -1.713 6.925 5.501 1.00 0.00 C ATOM 299 O VAL A 28 -0.593 7.175 5.946 1.00 0.00 O ATOM 300 CB VAL A 28 -2.169 7.469 3.109 1.00 0.00 C ATOM 301 CG1 VAL A 28 -3.454 7.528 2.301 1.00 0.00 C ATOM 302 CG2 VAL A 28 -1.084 8.320 2.463 1.00 0.00 C ATOM 0 H VAL A 28 -1.179 9.359 5.437 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.496 7.887 4.760 1.00 0.00 H new ATOM 0 HB VAL A 28 -1.820 6.437 3.122 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.254 7.218 1.276 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -4.193 6.861 2.744 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.838 8.548 2.303 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.927 7.991 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -1.392 9.366 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.156 8.213 3.024 1.00 0.00 H new ATOM 312 N SER A 29 -2.370 5.802 5.777 1.00 0.00 N ATOM 313 CA SER A 29 -1.805 4.773 6.640 1.00 0.00 C ATOM 314 C SER A 29 -1.860 3.415 5.950 1.00 0.00 C ATOM 315 O SER A 29 -2.779 3.141 5.178 1.00 0.00 O ATOM 316 CB SER A 29 -2.559 4.717 7.970 1.00 0.00 C ATOM 317 OG SER A 29 -2.023 5.641 8.901 1.00 0.00 O ATOM 0 H SER A 29 -3.297 5.582 5.413 1.00 0.00 H new ATOM 0 HA SER A 29 -0.763 5.024 6.840 1.00 0.00 H new ATOM 0 HB2 SER A 29 -3.614 4.935 7.803 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.503 3.709 8.381 1.00 0.00 H new ATOM 0 HG SER A 29 -2.524 5.586 9.742 1.00 0.00 H new ATOM 323 N VAL A 30 -0.872 2.566 6.221 1.00 0.00 N ATOM 324 CA VAL A 30 -0.821 1.244 5.609 1.00 0.00 C ATOM 325 C VAL A 30 -0.389 0.173 6.602 1.00 0.00 C ATOM 326 O VAL A 30 0.492 0.394 7.431 1.00 0.00 O ATOM 327 CB VAL A 30 0.137 1.221 4.403 1.00 0.00 C ATOM 328 CG1 VAL A 30 -0.434 2.034 3.252 1.00 0.00 C ATOM 329 CG2 VAL A 30 1.510 1.738 4.805 1.00 0.00 C ATOM 0 H VAL A 30 -0.101 2.769 6.857 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.834 1.024 5.273 1.00 0.00 H new ATOM 0 HB VAL A 30 0.247 0.190 4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.257 2.006 2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.393 1.613 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.576 3.067 3.571 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.175 1.715 3.941 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.421 2.762 5.168 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.919 1.108 5.595 1.00 0.00 H new ATOM 339 N LYS A 31 -1.014 -0.996 6.497 1.00 0.00 N ATOM 340 CA LYS A 31 -0.702 -2.122 7.366 1.00 0.00 C ATOM 341 C LYS A 31 -0.086 -3.256 6.553 1.00 0.00 C ATOM 342 O LYS A 31 -0.361 -3.389 5.362 1.00 0.00 O ATOM 343 CB LYS A 31 -1.962 -2.592 8.097 1.00 0.00 C ATOM 344 CG LYS A 31 -2.973 -3.276 7.196 1.00 0.00 C ATOM 345 CD LYS A 31 -2.578 -4.716 6.941 1.00 0.00 C ATOM 346 CE LYS A 31 -3.796 -5.600 6.731 1.00 0.00 C ATOM 347 NZ LYS A 31 -4.578 -5.779 7.985 1.00 0.00 N ATOM 0 H LYS A 31 -1.745 -1.187 5.812 1.00 0.00 H new ATOM 0 HA LYS A 31 0.024 -1.804 8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -1.674 -3.280 8.892 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.436 -1.734 8.573 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -3.960 -3.241 7.657 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -3.044 -2.741 6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.934 -4.768 6.063 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -1.997 -5.090 7.784 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -4.435 -5.161 5.965 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -3.477 -6.574 6.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.152 -6.643 7.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.927 -5.860 8.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.202 -4.959 8.125 1.00 0.00 H new ATOM 361 N GLY A 32 0.755 -4.061 7.193 1.00 0.00 N ATOM 362 CA GLY A 32 1.399 -5.160 6.493 1.00 0.00 C ATOM 363 C GLY A 32 0.906 -6.521 6.943 1.00 0.00 C ATOM 364 O GLY A 32 0.658 -6.740 8.129 1.00 0.00 O ATOM 0 H GLY A 32 1.002 -3.974 8.179 1.00 0.00 H new ATOM 0 HA2 GLY A 32 1.225 -5.053 5.422 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.476 -5.101 6.648 1.00 0.00 H new ATOM 368 N ASN A 33 0.775 -7.441 5.992 1.00 0.00 N ATOM 369 CA ASN A 33 0.317 -8.795 6.290 1.00 0.00 C ATOM 370 C ASN A 33 1.323 -9.828 5.789 1.00 0.00 C ATOM 371 O ASN A 33 2.417 -9.477 5.346 1.00 0.00 O ATOM 372 CB ASN A 33 -1.052 -9.053 5.656 1.00 0.00 C ATOM 373 CG ASN A 33 -2.181 -8.974 6.665 1.00 0.00 C ATOM 374 OD1 ASN A 33 -3.118 -9.772 6.628 1.00 0.00 O ATOM 375 ND2 ASN A 33 -2.097 -8.010 7.574 1.00 0.00 N ATOM 0 H ASN A 33 0.980 -7.274 5.007 1.00 0.00 H new ATOM 0 HA ASN A 33 0.227 -8.889 7.372 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.225 -8.325 4.863 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.053 -10.038 5.190 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.827 -7.909 8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.302 -7.371 7.567 1.00 0.00 H new ATOM 382 N ARG A 34 0.947 -11.101 5.862 1.00 0.00 N ATOM 383 CA ARG A 34 1.819 -12.183 5.416 1.00 0.00 C ATOM 384 C ARG A 34 1.031 -13.241 4.654 1.00 0.00 C ATOM 385 O ARG A 34 -0.200 -13.264 4.690 1.00 0.00 O ATOM 386 CB ARG A 34 2.535 -12.820 6.609 1.00 0.00 C ATOM 387 CG ARG A 34 1.654 -12.977 7.837 1.00 0.00 C ATOM 388 CD ARG A 34 2.412 -13.616 8.989 1.00 0.00 C ATOM 389 NE ARG A 34 2.864 -12.626 9.966 1.00 0.00 N ATOM 390 CZ ARG A 34 2.040 -11.894 10.711 1.00 0.00 C ATOM 391 NH1 ARG A 34 0.726 -12.035 10.597 1.00 0.00 N ATOM 392 NH2 ARG A 34 2.533 -11.017 11.575 1.00 0.00 N ATOM 0 H ARG A 34 0.045 -11.409 6.225 1.00 0.00 H new ATOM 0 HA ARG A 34 2.563 -11.758 4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 34 2.911 -13.800 6.315 1.00 0.00 H new ATOM 0 HB3 ARG A 34 3.401 -12.211 6.869 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.279 -12.001 8.144 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.786 -13.588 7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 34 1.771 -14.346 9.483 1.00 0.00 H new ATOM 0 HD3 ARG A 34 3.273 -14.159 8.599 1.00 0.00 H new ATOM 0 HE ARG A 34 3.868 -12.489 10.083 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.341 -12.708 9.935 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.101 -11.470 11.172 1.00 0.00 H new ATOM 0 HH21 ARG A 34 3.543 -10.904 11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 34 1.903 -10.455 12.147 1.00 0.00 H new ATOM 406 N SER A 35 1.752 -14.119 3.961 1.00 0.00 N ATOM 407 CA SER A 35 1.130 -15.186 3.182 1.00 0.00 C ATOM 408 C SER A 35 0.113 -15.958 4.018 1.00 0.00 C ATOM 409 O SER A 35 0.374 -16.305 5.169 1.00 0.00 O ATOM 410 CB SER A 35 2.199 -16.142 2.651 1.00 0.00 C ATOM 411 OG SER A 35 1.774 -16.767 1.452 1.00 0.00 O ATOM 0 H SER A 35 2.771 -14.112 3.923 1.00 0.00 H new ATOM 0 HA SER A 35 0.606 -14.728 2.343 1.00 0.00 H new ATOM 0 HB2 SER A 35 3.124 -15.594 2.471 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.418 -16.901 3.402 1.00 0.00 H new ATOM 0 HG SER A 35 2.475 -17.372 1.132 1.00 0.00 H new ATOM 417 N LYS A 36 -1.047 -16.220 3.427 1.00 0.00 N ATOM 418 CA LYS A 36 -2.106 -16.952 4.115 1.00 0.00 C ATOM 419 C LYS A 36 -1.757 -18.434 4.252 1.00 0.00 C ATOM 420 O LYS A 36 -2.445 -19.177 4.953 1.00 0.00 O ATOM 421 CB LYS A 36 -3.430 -16.797 3.362 1.00 0.00 C ATOM 422 CG LYS A 36 -3.750 -15.362 2.980 1.00 0.00 C ATOM 423 CD LYS A 36 -3.934 -14.485 4.209 1.00 0.00 C ATOM 424 CE LYS A 36 -3.459 -13.063 3.956 1.00 0.00 C ATOM 425 NZ LYS A 36 -3.226 -12.322 5.225 1.00 0.00 N ATOM 0 H LYS A 36 -1.279 -15.937 2.475 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.208 -16.532 5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -3.397 -17.406 2.458 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.238 -17.188 3.981 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.946 -14.961 2.363 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -4.657 -15.339 2.376 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.986 -14.473 4.494 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.382 -14.910 5.047 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.537 -13.086 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.200 -12.534 3.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -3.404 -11.309 5.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -3.869 -12.681 5.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.241 -12.458 5.531 1.00 0.00 H new ATOM 439 N GLU A 37 -0.688 -18.859 3.584 1.00 0.00 N ATOM 440 CA GLU A 37 -0.259 -20.252 3.639 1.00 0.00 C ATOM 441 C GLU A 37 0.872 -20.433 4.646 1.00 0.00 C ATOM 442 O GLU A 37 1.045 -21.515 5.210 1.00 0.00 O ATOM 443 CB GLU A 37 0.194 -20.721 2.256 1.00 0.00 C ATOM 444 CG GLU A 37 0.538 -22.201 2.199 1.00 0.00 C ATOM 445 CD GLU A 37 0.084 -22.855 0.907 1.00 0.00 C ATOM 446 OE1 GLU A 37 0.849 -22.814 -0.079 1.00 0.00 O ATOM 447 OE2 GLU A 37 -1.034 -23.408 0.884 1.00 0.00 O ATOM 0 H GLU A 37 -0.105 -18.260 3.000 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.107 -20.856 3.961 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.595 -20.512 1.534 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.066 -20.142 1.952 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.616 -22.324 2.305 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.074 -22.711 3.043 1.00 0.00 H new ATOM 454 N ASN A 38 1.641 -19.372 4.868 1.00 0.00 N ATOM 455 CA ASN A 38 2.757 -19.416 5.805 1.00 0.00 C ATOM 456 C ASN A 38 3.096 -18.019 6.313 1.00 0.00 C ATOM 457 O ASN A 38 2.716 -17.018 5.704 1.00 0.00 O ATOM 458 CB ASN A 38 3.988 -20.045 5.145 1.00 0.00 C ATOM 459 CG ASN A 38 4.109 -19.693 3.673 1.00 0.00 C ATOM 460 OD1 ASN A 38 4.204 -18.401 3.378 1.00 0.00 O flip ATOM 461 ND2 ASN A 38 4.115 -20.572 2.812 1.00 0.00 N flip ATOM 0 H ASN A 38 1.511 -18.470 4.411 1.00 0.00 H new ATOM 0 HA ASN A 38 2.458 -20.031 6.654 1.00 0.00 H new ATOM 0 HB2 ASN A 38 4.885 -19.713 5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 38 3.939 -21.129 5.252 1.00 0.00 H new ATOM 0 HD21 ASN A 38 4.040 -21.552 3.083 1.00 0.00 H new ATOM 0 HD22 ASN A 38 4.195 -20.320 1.827 1.00 0.00 H new ATOM 468 N HIS A 39 3.818 -17.958 7.427 1.00 0.00 N ATOM 469 CA HIS A 39 4.213 -16.680 8.011 1.00 0.00 C ATOM 470 C HIS A 39 5.233 -15.974 7.123 1.00 0.00 C ATOM 471 O HIS A 39 6.416 -15.904 7.452 1.00 0.00 O ATOM 472 CB HIS A 39 4.793 -16.894 9.410 1.00 0.00 C ATOM 473 CG HIS A 39 3.753 -16.983 10.482 1.00 0.00 C ATOM 474 ND1 HIS A 39 2.432 -16.687 10.462 1.00 0.00 N flip ATOM 475 CD2 HIS A 39 4.026 -17.417 11.762 1.00 0.00 C flip ATOM 476 CE1 HIS A 39 1.937 -16.948 11.715 1.00 0.00 C flip ATOM 477 NE2 HIS A 39 2.918 -17.387 12.482 1.00 0.00 N flip ATOM 0 H HIS A 39 4.141 -18.776 7.943 1.00 0.00 H new ATOM 0 HA HIS A 39 3.327 -16.050 8.088 1.00 0.00 H new ATOM 0 HB2 HIS A 39 5.385 -17.809 9.413 1.00 0.00 H new ATOM 0 HB3 HIS A 39 5.473 -16.074 9.642 1.00 0.00 H new ATOM 0 HD2 HIS A 39 4.995 -17.732 12.121 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.911 -16.816 12.024 1.00 0.00 H new ATOM 0 HE2 HIS A 39 2.835 -17.657 13.462 1.00 0.00 H new ATOM 486 N ALA A 40 4.763 -15.456 5.993 1.00 0.00 N ATOM 487 CA ALA A 40 5.630 -14.760 5.053 1.00 0.00 C ATOM 488 C ALA A 40 5.066 -13.389 4.697 1.00 0.00 C ATOM 489 O ALA A 40 4.190 -13.272 3.841 1.00 0.00 O ATOM 490 CB ALA A 40 5.817 -15.596 3.795 1.00 0.00 C ATOM 0 H ALA A 40 3.785 -15.506 5.707 1.00 0.00 H new ATOM 0 HA ALA A 40 6.599 -14.613 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.467 -15.066 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.270 -16.552 4.058 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.848 -15.770 3.326 1.00 0.00 H new ATOM 496 N ASP A 41 5.573 -12.352 5.358 1.00 0.00 N ATOM 497 CA ASP A 41 5.116 -10.988 5.108 1.00 0.00 C ATOM 498 C ASP A 41 5.121 -10.672 3.614 1.00 0.00 C ATOM 499 O ASP A 41 6.154 -10.774 2.951 1.00 0.00 O ATOM 500 CB ASP A 41 5.995 -9.984 5.854 1.00 0.00 C ATOM 501 CG ASP A 41 5.266 -8.686 6.140 1.00 0.00 C ATOM 502 OD1 ASP A 41 4.441 -8.662 7.076 1.00 0.00 O ATOM 503 OD2 ASP A 41 5.515 -7.694 5.423 1.00 0.00 O ATOM 0 H ASP A 41 6.299 -12.430 6.070 1.00 0.00 H new ATOM 0 HA ASP A 41 4.093 -10.907 5.474 1.00 0.00 H new ATOM 0 HB2 ASP A 41 6.330 -10.425 6.793 1.00 0.00 H new ATOM 0 HB3 ASP A 41 6.887 -9.775 5.263 1.00 0.00 H new ATOM 508 N LEU A 42 3.961 -10.290 3.092 1.00 0.00 N ATOM 509 CA LEU A 42 3.830 -9.960 1.677 1.00 0.00 C ATOM 510 C LEU A 42 4.158 -8.495 1.428 1.00 0.00 C ATOM 511 O LEU A 42 5.149 -8.169 0.773 1.00 0.00 O ATOM 512 CB LEU A 42 2.412 -10.269 1.190 1.00 0.00 C ATOM 513 CG LEU A 42 1.903 -11.673 1.520 1.00 0.00 C ATOM 514 CD1 LEU A 42 0.386 -11.722 1.444 1.00 0.00 C ATOM 515 CD2 LEU A 42 2.520 -12.696 0.579 1.00 0.00 C ATOM 0 H LEU A 42 3.097 -10.201 3.627 1.00 0.00 H new ATOM 0 HA LEU A 42 4.540 -10.571 1.119 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.728 -9.540 1.625 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.378 -10.132 0.109 1.00 0.00 H new ATOM 0 HG LEU A 42 2.202 -11.918 2.539 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.042 -12.729 1.682 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.037 -11.016 2.158 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.063 -11.457 0.437 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.148 -13.690 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.251 -12.454 -0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.605 -12.679 0.683 1.00 0.00 H new ATOM 527 N GLY A 43 3.318 -7.615 1.955 1.00 0.00 N ATOM 528 CA GLY A 43 3.526 -6.189 1.786 1.00 0.00 C ATOM 529 C GLY A 43 2.549 -5.363 2.595 1.00 0.00 C ATOM 530 O GLY A 43 1.894 -5.877 3.502 1.00 0.00 O ATOM 0 H GLY A 43 2.492 -7.864 2.499 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.544 -5.936 2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 43 3.428 -5.933 0.731 1.00 0.00 H new ATOM 534 N ILE A 44 2.448 -4.078 2.265 1.00 0.00 N ATOM 535 CA ILE A 44 1.540 -3.178 2.970 1.00 0.00 C ATOM 536 C ILE A 44 0.367 -2.778 2.080 1.00 0.00 C ATOM 537 O ILE A 44 0.474 -2.784 0.854 1.00 0.00 O ATOM 538 CB ILE A 44 2.255 -1.894 3.462 1.00 0.00 C ATOM 539 CG1 ILE A 44 3.776 -2.043 3.390 1.00 0.00 C ATOM 540 CG2 ILE A 44 1.831 -1.562 4.884 1.00 0.00 C ATOM 541 CD1 ILE A 44 4.330 -3.117 4.305 1.00 0.00 C ATOM 0 H ILE A 44 2.982 -3.638 1.516 1.00 0.00 H new ATOM 0 HA ILE A 44 1.175 -3.728 3.838 1.00 0.00 H new ATOM 0 HB ILE A 44 1.962 -1.077 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 44 4.061 -2.271 2.363 1.00 0.00 H new ATOM 0 HG13 ILE A 44 4.238 -1.089 3.644 1.00 0.00 H new ATOM 0 HG21 ILE A 44 2.342 -0.658 5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.753 -1.401 4.914 1.00 0.00 H new ATOM 0 HG23 ILE A 44 2.093 -2.389 5.544 1.00 0.00 H new ATOM 0 HD11 ILE A 44 5.414 -3.163 4.198 1.00 0.00 H new ATOM 0 HD12 ILE A 44 4.077 -2.880 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 44 3.898 -4.081 4.037 1.00 0.00 H new ATOM 553 N PHE A 45 -0.749 -2.427 2.707 1.00 0.00 N ATOM 554 CA PHE A 45 -1.948 -2.018 1.980 1.00 0.00 C ATOM 555 C PHE A 45 -2.570 -0.790 2.634 1.00 0.00 C ATOM 556 O PHE A 45 -2.635 -0.696 3.859 1.00 0.00 O ATOM 557 CB PHE A 45 -2.974 -3.158 1.938 1.00 0.00 C ATOM 558 CG PHE A 45 -2.366 -4.530 2.042 1.00 0.00 C ATOM 559 CD1 PHE A 45 -1.841 -4.976 3.243 1.00 0.00 C ATOM 560 CD2 PHE A 45 -2.317 -5.369 0.940 1.00 0.00 C ATOM 561 CE1 PHE A 45 -1.278 -6.233 3.346 1.00 0.00 C ATOM 562 CE2 PHE A 45 -1.754 -6.628 1.037 1.00 0.00 C ATOM 563 CZ PHE A 45 -1.235 -7.060 2.241 1.00 0.00 C ATOM 0 H PHE A 45 -0.850 -2.417 3.722 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.657 -1.771 0.959 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -3.685 -3.024 2.753 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.539 -3.091 1.008 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.872 -4.333 4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -2.723 -5.036 -0.004 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.872 -6.568 4.289 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -1.720 -7.273 0.171 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.796 -8.044 2.319 1.00 0.00 H new ATOM 573 N VAL A 46 -3.022 0.151 1.812 1.00 0.00 N ATOM 574 CA VAL A 46 -3.635 1.373 2.324 1.00 0.00 C ATOM 575 C VAL A 46 -4.742 1.051 3.323 1.00 0.00 C ATOM 576 O VAL A 46 -5.834 0.629 2.944 1.00 0.00 O ATOM 577 CB VAL A 46 -4.213 2.234 1.186 1.00 0.00 C ATOM 578 CG1 VAL A 46 -4.709 3.569 1.721 1.00 0.00 C ATOM 579 CG2 VAL A 46 -3.177 2.440 0.089 1.00 0.00 C ATOM 0 H VAL A 46 -2.976 0.093 0.795 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.849 1.937 2.826 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.063 1.706 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.113 4.162 0.901 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.489 3.397 2.463 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.881 4.106 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.605 3.051 -0.706 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.304 2.944 0.503 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.880 1.473 -0.317 1.00 0.00 H new ATOM 589 N LYS A 47 -4.444 1.253 4.601 1.00 0.00 N ATOM 590 CA LYS A 47 -5.403 0.986 5.665 1.00 0.00 C ATOM 591 C LYS A 47 -6.395 2.134 5.799 1.00 0.00 C ATOM 592 O LYS A 47 -7.582 1.918 6.046 1.00 0.00 O ATOM 593 CB LYS A 47 -4.666 0.765 6.992 1.00 0.00 C ATOM 594 CG LYS A 47 -5.577 0.743 8.208 1.00 0.00 C ATOM 595 CD LYS A 47 -6.533 -0.439 8.167 1.00 0.00 C ATOM 596 CE LYS A 47 -5.803 -1.754 8.385 1.00 0.00 C ATOM 597 NZ LYS A 47 -6.585 -2.689 9.238 1.00 0.00 N ATOM 0 H LYS A 47 -3.542 1.602 4.926 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.958 0.083 5.411 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.122 -0.178 6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.925 1.554 7.120 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.974 0.693 9.115 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.146 1.671 8.254 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.299 -0.316 8.933 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -7.045 -0.461 7.205 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.604 -2.223 7.421 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.837 -1.560 8.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.052 -3.574 9.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.754 -2.253 10.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.497 -2.895 8.782 1.00 0.00 H new ATOM 611 N SER A 48 -5.901 3.357 5.637 1.00 0.00 N ATOM 612 CA SER A 48 -6.750 4.536 5.744 1.00 0.00 C ATOM 613 C SER A 48 -6.116 5.735 5.051 1.00 0.00 C ATOM 614 O SER A 48 -4.929 5.722 4.726 1.00 0.00 O ATOM 615 CB SER A 48 -7.018 4.864 7.214 1.00 0.00 C ATOM 616 OG SER A 48 -8.344 5.329 7.400 1.00 0.00 O ATOM 0 H SER A 48 -4.922 3.556 5.432 1.00 0.00 H new ATOM 0 HA SER A 48 -7.695 4.315 5.248 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.852 3.976 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.313 5.622 7.555 1.00 0.00 H new ATOM 0 HG SER A 48 -8.490 5.530 8.348 1.00 0.00 H new ATOM 622 N ILE A 49 -6.916 6.772 4.832 1.00 0.00 N ATOM 623 CA ILE A 49 -6.438 7.983 4.180 1.00 0.00 C ATOM 624 C ILE A 49 -6.841 9.219 4.973 1.00 0.00 C ATOM 625 O ILE A 49 -7.866 9.229 5.656 1.00 0.00 O ATOM 626 CB ILE A 49 -6.983 8.107 2.743 1.00 0.00 C ATOM 627 CG1 ILE A 49 -6.941 6.750 2.040 1.00 0.00 C ATOM 628 CG2 ILE A 49 -6.202 9.148 1.948 1.00 0.00 C ATOM 629 CD1 ILE A 49 -7.456 6.788 0.617 1.00 0.00 C ATOM 0 H ILE A 49 -7.901 6.797 5.097 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.351 7.914 4.138 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.020 8.438 2.800 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -5.914 6.384 2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -7.532 6.035 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.608 9.215 0.939 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.286 10.118 2.438 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.153 8.856 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -7.396 5.791 0.182 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -8.493 7.123 0.614 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.850 7.477 0.029 1.00 0.00 H new ATOM 641 N ILE A 50 -6.027 10.257 4.872 1.00 0.00 N ATOM 642 CA ILE A 50 -6.284 11.510 5.568 1.00 0.00 C ATOM 643 C ILE A 50 -6.771 12.574 4.589 1.00 0.00 C ATOM 644 O ILE A 50 -5.971 13.200 3.894 1.00 0.00 O ATOM 645 CB ILE A 50 -5.015 12.025 6.288 1.00 0.00 C ATOM 646 CG1 ILE A 50 -4.578 11.058 7.396 1.00 0.00 C ATOM 647 CG2 ILE A 50 -5.253 13.412 6.871 1.00 0.00 C ATOM 648 CD1 ILE A 50 -3.777 9.872 6.912 1.00 0.00 C ATOM 0 H ILE A 50 -5.176 10.257 4.310 1.00 0.00 H new ATOM 0 HA ILE A 50 -7.056 11.317 6.313 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.216 12.086 5.549 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.985 11.607 8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.465 10.694 7.914 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.349 13.756 7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -5.509 14.105 6.069 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -6.072 13.369 7.589 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -3.511 9.242 7.761 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -4.373 9.295 6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.869 10.222 6.421 1.00 0.00 H new ATOM 660 N ASN A 51 -8.084 12.773 4.537 1.00 0.00 N ATOM 661 CA ASN A 51 -8.670 13.762 3.638 1.00 0.00 C ATOM 662 C ASN A 51 -8.245 15.173 4.032 1.00 0.00 C ATOM 663 O ASN A 51 -9.013 15.922 4.635 1.00 0.00 O ATOM 664 CB ASN A 51 -10.196 13.656 3.641 1.00 0.00 C ATOM 665 CG ASN A 51 -10.766 13.582 5.043 1.00 0.00 C ATOM 666 OD1 ASN A 51 -10.963 12.365 5.537 1.00 0.00 O flip ATOM 667 ND2 ASN A 51 -11.028 14.605 5.674 1.00 0.00 N flip ATOM 0 H ASN A 51 -8.761 12.264 5.105 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.305 13.557 2.631 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.619 14.518 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.497 12.770 3.082 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.860 15.520 5.255 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.413 14.539 6.616 1.00 0.00 H new ATOM 674 N GLY A 52 -7.013 15.522 3.688 1.00 0.00 N ATOM 675 CA GLY A 52 -6.486 16.834 4.004 1.00 0.00 C ATOM 676 C GLY A 52 -5.094 17.044 3.440 1.00 0.00 C ATOM 677 O GLY A 52 -4.697 18.175 3.155 1.00 0.00 O ATOM 0 H GLY A 52 -6.364 14.913 3.191 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.156 17.598 3.608 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.461 16.962 5.086 1.00 0.00 H new ATOM 681 N GLY A 53 -4.348 15.953 3.278 1.00 0.00 N ATOM 682 CA GLY A 53 -3.004 16.045 2.745 1.00 0.00 C ATOM 683 C GLY A 53 -2.885 15.466 1.348 1.00 0.00 C ATOM 684 O GLY A 53 -3.886 15.187 0.690 1.00 0.00 O ATOM 0 H GLY A 53 -4.653 15.007 3.508 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -2.696 17.090 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.318 15.521 3.410 1.00 0.00 H new ATOM 688 N ALA A 54 -1.648 15.304 0.896 1.00 0.00 N ATOM 689 CA ALA A 54 -1.359 14.776 -0.436 1.00 0.00 C ATOM 690 C ALA A 54 -2.243 13.595 -0.823 1.00 0.00 C ATOM 691 O ALA A 54 -2.861 13.604 -1.883 1.00 0.00 O ATOM 692 CB ALA A 54 0.104 14.378 -0.521 1.00 0.00 C ATOM 0 H ALA A 54 -0.816 15.534 1.440 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.579 15.573 -1.146 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.317 13.985 -1.515 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.730 15.251 -0.334 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.317 13.613 0.225 1.00 0.00 H new ATOM 698 N ALA A 55 -2.287 12.571 0.018 1.00 0.00 N ATOM 699 CA ALA A 55 -3.085 11.382 -0.280 1.00 0.00 C ATOM 700 C ALA A 55 -4.522 11.748 -0.637 1.00 0.00 C ATOM 701 O ALA A 55 -5.131 11.131 -1.509 1.00 0.00 O ATOM 702 CB ALA A 55 -3.056 10.402 0.883 1.00 0.00 C ATOM 0 H ALA A 55 -1.785 12.536 0.905 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.638 10.899 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.657 9.527 0.636 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.028 10.094 1.074 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -3.462 10.882 1.773 1.00 0.00 H new ATOM 708 N SER A 56 -5.057 12.757 0.035 1.00 0.00 N ATOM 709 CA SER A 56 -6.418 13.206 -0.222 1.00 0.00 C ATOM 710 C SER A 56 -6.510 13.883 -1.581 1.00 0.00 C ATOM 711 O SER A 56 -7.309 13.497 -2.434 1.00 0.00 O ATOM 712 CB SER A 56 -6.866 14.178 0.862 1.00 0.00 C ATOM 713 OG SER A 56 -6.315 15.467 0.659 1.00 0.00 O ATOM 0 H SER A 56 -4.570 13.280 0.762 1.00 0.00 H new ATOM 0 HA SER A 56 -7.071 12.334 -0.216 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.954 14.242 0.868 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.563 13.801 1.839 1.00 0.00 H new ATOM 0 HG SER A 56 -5.397 15.488 1.002 1.00 0.00 H new ATOM 719 N LYS A 57 -5.680 14.900 -1.767 1.00 0.00 N ATOM 720 CA LYS A 57 -5.654 15.650 -3.021 1.00 0.00 C ATOM 721 C LYS A 57 -5.204 14.764 -4.181 1.00 0.00 C ATOM 722 O LYS A 57 -5.519 15.039 -5.340 1.00 0.00 O ATOM 723 CB LYS A 57 -4.747 16.883 -2.920 1.00 0.00 C ATOM 724 CG LYS A 57 -3.505 16.693 -2.063 1.00 0.00 C ATOM 725 CD LYS A 57 -3.431 17.734 -0.956 1.00 0.00 C ATOM 726 CE LYS A 57 -2.011 18.232 -0.750 1.00 0.00 C ATOM 727 NZ LYS A 57 -1.679 18.387 0.695 1.00 0.00 N ATOM 0 H LYS A 57 -5.014 15.227 -1.067 1.00 0.00 H new ATOM 0 HA LYS A 57 -6.672 15.989 -3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -4.437 17.172 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -5.328 17.712 -2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -3.512 15.694 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.615 16.761 -2.689 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.080 18.575 -1.202 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.805 17.305 -0.027 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.311 17.534 -1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.885 19.189 -1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.177 19.286 0.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -2.555 18.385 1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.072 17.599 0.998 1.00 0.00 H new ATOM 741 N ASP A 58 -4.467 13.707 -3.864 1.00 0.00 N ATOM 742 CA ASP A 58 -3.973 12.783 -4.878 1.00 0.00 C ATOM 743 C ASP A 58 -5.124 12.179 -5.677 1.00 0.00 C ATOM 744 O ASP A 58 -5.090 12.151 -6.907 1.00 0.00 O ATOM 745 CB ASP A 58 -3.150 11.672 -4.224 1.00 0.00 C ATOM 746 CG ASP A 58 -1.691 11.715 -4.631 1.00 0.00 C ATOM 747 OD1 ASP A 58 -1.279 12.709 -5.264 1.00 0.00 O ATOM 748 OD2 ASP A 58 -0.959 10.754 -4.315 1.00 0.00 O ATOM 0 H ASP A 58 -4.197 13.467 -2.910 1.00 0.00 H new ATOM 0 HA ASP A 58 -3.337 13.342 -5.564 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -3.224 11.759 -3.140 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -3.571 10.704 -4.496 1.00 0.00 H new ATOM 753 N GLY A 59 -6.137 11.694 -4.968 1.00 0.00 N ATOM 754 CA GLY A 59 -7.280 11.092 -5.629 1.00 0.00 C ATOM 755 C GLY A 59 -6.892 9.893 -6.473 1.00 0.00 C ATOM 756 O GLY A 59 -7.590 9.544 -7.425 1.00 0.00 O ATOM 0 H GLY A 59 -6.187 11.707 -3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -8.010 10.785 -4.880 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.765 11.836 -6.261 1.00 0.00 H new ATOM 760 N ARG A 60 -5.774 9.263 -6.123 1.00 0.00 N ATOM 761 CA ARG A 60 -5.292 8.099 -6.855 1.00 0.00 C ATOM 762 C ARG A 60 -5.198 6.880 -5.941 1.00 0.00 C ATOM 763 O ARG A 60 -5.604 5.781 -6.313 1.00 0.00 O ATOM 764 CB ARG A 60 -3.923 8.392 -7.475 1.00 0.00 C ATOM 765 CG ARG A 60 -3.977 9.389 -8.622 1.00 0.00 C ATOM 766 CD ARG A 60 -2.615 10.016 -8.880 1.00 0.00 C ATOM 767 NE ARG A 60 -2.470 11.305 -8.208 1.00 0.00 N ATOM 768 CZ ARG A 60 -1.485 12.165 -8.456 1.00 0.00 C ATOM 769 NH1 ARG A 60 -0.552 11.879 -9.355 1.00 0.00 N ATOM 770 NH2 ARG A 60 -1.431 13.317 -7.801 1.00 0.00 N ATOM 0 H ARG A 60 -5.186 9.540 -5.337 1.00 0.00 H new ATOM 0 HA ARG A 60 -6.005 7.880 -7.650 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.257 8.776 -6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.489 7.459 -7.835 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.325 8.888 -9.525 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -4.701 10.171 -8.392 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -1.833 9.338 -8.537 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.474 10.148 -9.953 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.165 11.561 -7.507 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.586 10.995 -9.862 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.200 12.544 -9.539 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.144 13.543 -7.108 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.676 13.977 -7.991 1.00 0.00 H new ATOM 784 N LEU A 61 -4.663 7.086 -4.741 1.00 0.00 N ATOM 785 CA LEU A 61 -4.520 6.000 -3.775 1.00 0.00 C ATOM 786 C LEU A 61 -5.880 5.403 -3.427 1.00 0.00 C ATOM 787 O LEU A 61 -6.906 6.078 -3.509 1.00 0.00 O ATOM 788 CB LEU A 61 -3.810 6.477 -2.495 1.00 0.00 C ATOM 789 CG LEU A 61 -4.198 7.862 -1.965 1.00 0.00 C ATOM 790 CD1 LEU A 61 -3.313 8.936 -2.578 1.00 0.00 C ATOM 791 CD2 LEU A 61 -5.672 8.163 -2.213 1.00 0.00 C ATOM 0 H LEU A 61 -4.323 7.990 -4.415 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.905 5.229 -4.239 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.000 5.747 -1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.736 6.473 -2.681 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.042 7.862 -0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.604 9.912 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.272 8.739 -2.322 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.428 8.928 -3.662 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.912 9.153 -1.824 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.874 8.135 -3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.286 7.417 -1.708 1.00 0.00 H new ATOM 803 N ARG A 62 -5.878 4.131 -3.041 1.00 0.00 N ATOM 804 CA ARG A 62 -7.109 3.438 -2.681 1.00 0.00 C ATOM 805 C ARG A 62 -6.905 2.602 -1.423 1.00 0.00 C ATOM 806 O ARG A 62 -5.876 1.948 -1.263 1.00 0.00 O ATOM 807 CB ARG A 62 -7.573 2.543 -3.832 1.00 0.00 C ATOM 808 CG ARG A 62 -7.692 3.268 -5.162 1.00 0.00 C ATOM 809 CD ARG A 62 -9.056 3.921 -5.328 1.00 0.00 C ATOM 810 NE ARG A 62 -9.470 4.643 -4.125 1.00 0.00 N ATOM 811 CZ ARG A 62 -10.253 4.132 -3.177 1.00 0.00 C ATOM 812 NH1 ARG A 62 -10.711 2.888 -3.275 1.00 0.00 N ATOM 813 NH2 ARG A 62 -10.578 4.866 -2.122 1.00 0.00 N ATOM 0 H ARG A 62 -5.036 3.559 -2.970 1.00 0.00 H new ATOM 0 HA ARG A 62 -7.877 4.186 -2.483 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -6.873 1.715 -3.941 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -8.540 2.111 -3.577 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -6.914 4.028 -5.233 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -7.524 2.563 -5.977 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.027 4.610 -6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.797 3.157 -5.565 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.137 5.600 -4.005 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -10.463 2.315 -4.082 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -11.310 2.506 -2.543 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -10.228 5.820 -2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -11.178 4.476 -1.395 1.00 0.00 H new ATOM 827 N VAL A 63 -7.891 2.633 -0.531 1.00 0.00 N ATOM 828 CA VAL A 63 -7.818 1.879 0.715 1.00 0.00 C ATOM 829 C VAL A 63 -7.859 0.375 0.454 1.00 0.00 C ATOM 830 O VAL A 63 -8.851 -0.291 0.753 1.00 0.00 O ATOM 831 CB VAL A 63 -8.968 2.258 1.669 1.00 0.00 C ATOM 832 CG1 VAL A 63 -8.762 1.622 3.034 1.00 0.00 C ATOM 833 CG2 VAL A 63 -9.089 3.771 1.790 1.00 0.00 C ATOM 0 H VAL A 63 -8.749 3.172 -0.648 1.00 0.00 H new ATOM 0 HA VAL A 63 -6.868 2.135 1.184 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.900 1.875 1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.584 1.901 3.693 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.733 0.537 2.929 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.821 1.971 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.906 4.018 2.468 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -8.157 4.180 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.290 4.200 0.808 1.00 0.00 H new ATOM 843 N ASN A 64 -6.773 -0.156 -0.107 1.00 0.00 N ATOM 844 CA ASN A 64 -6.680 -1.585 -0.411 1.00 0.00 C ATOM 845 C ASN A 64 -5.458 -1.892 -1.279 1.00 0.00 C ATOM 846 O ASN A 64 -4.969 -3.022 -1.294 1.00 0.00 O ATOM 847 CB ASN A 64 -7.947 -2.071 -1.122 1.00 0.00 C ATOM 848 CG ASN A 64 -8.435 -1.094 -2.173 1.00 0.00 C ATOM 849 OD1 ASN A 64 -7.918 -1.055 -3.289 1.00 0.00 O ATOM 850 ND2 ASN A 64 -9.436 -0.298 -1.819 1.00 0.00 N ATOM 0 H ASN A 64 -5.944 0.382 -0.361 1.00 0.00 H new ATOM 0 HA ASN A 64 -6.574 -2.112 0.537 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -7.749 -3.035 -1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.734 -2.230 -0.385 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -9.807 0.381 -2.484 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.834 -0.365 -0.882 1.00 0.00 H new ATOM 857 N ASP A 65 -4.970 -0.887 -2.003 1.00 0.00 N ATOM 858 CA ASP A 65 -3.812 -1.061 -2.874 1.00 0.00 C ATOM 859 C ASP A 65 -2.601 -1.546 -2.085 1.00 0.00 C ATOM 860 O ASP A 65 -2.337 -1.072 -0.981 1.00 0.00 O ATOM 861 CB ASP A 65 -3.480 0.253 -3.585 1.00 0.00 C ATOM 862 CG ASP A 65 -4.478 0.589 -4.676 1.00 0.00 C ATOM 863 OD1 ASP A 65 -4.929 -0.342 -5.376 1.00 0.00 O ATOM 864 OD2 ASP A 65 -4.808 1.784 -4.832 1.00 0.00 O ATOM 0 H ASP A 65 -5.359 0.056 -2.003 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.062 -1.817 -3.619 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -3.458 1.062 -2.855 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.482 0.187 -4.018 1.00 0.00 H new ATOM 869 N GLN A 66 -1.869 -2.493 -2.663 1.00 0.00 N ATOM 870 CA GLN A 66 -0.684 -3.047 -2.018 1.00 0.00 C ATOM 871 C GLN A 66 0.575 -2.301 -2.449 1.00 0.00 C ATOM 872 O GLN A 66 0.989 -2.380 -3.607 1.00 0.00 O ATOM 873 CB GLN A 66 -0.547 -4.533 -2.352 1.00 0.00 C ATOM 874 CG GLN A 66 0.225 -5.324 -1.309 1.00 0.00 C ATOM 875 CD GLN A 66 1.534 -5.871 -1.842 1.00 0.00 C ATOM 876 OE1 GLN A 66 1.688 -7.079 -2.024 1.00 0.00 O ATOM 877 NE2 GLN A 66 2.486 -4.981 -2.097 1.00 0.00 N ATOM 0 H GLN A 66 -2.076 -2.893 -3.578 1.00 0.00 H new ATOM 0 HA GLN A 66 -0.801 -2.929 -0.941 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.542 -4.965 -2.460 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.048 -4.635 -3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.426 -4.685 -0.449 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -0.392 -6.150 -0.955 1.00 0.00 H new ATOM 0 HE21 GLN A 66 2.315 -3.989 -1.931 1.00 0.00 H new ATOM 0 HE22 GLN A 66 3.389 -5.289 -2.459 1.00 0.00 H new ATOM 886 N LEU A 67 1.181 -1.578 -1.512 1.00 0.00 N ATOM 887 CA LEU A 67 2.395 -0.820 -1.797 1.00 0.00 C ATOM 888 C LEU A 67 3.509 -1.746 -2.274 1.00 0.00 C ATOM 889 O LEU A 67 3.773 -2.781 -1.663 1.00 0.00 O ATOM 890 CB LEU A 67 2.850 -0.055 -0.552 1.00 0.00 C ATOM 891 CG LEU A 67 1.848 0.970 -0.020 1.00 0.00 C ATOM 892 CD1 LEU A 67 2.204 1.375 1.403 1.00 0.00 C ATOM 893 CD2 LEU A 67 1.802 2.190 -0.928 1.00 0.00 C ATOM 0 H LEU A 67 0.852 -1.501 -0.550 1.00 0.00 H new ATOM 0 HA LEU A 67 2.172 -0.106 -2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.066 -0.774 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.784 0.458 -0.781 1.00 0.00 H new ATOM 0 HG LEU A 67 0.859 0.512 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.480 2.105 1.765 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.186 0.496 2.047 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.201 1.815 1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.084 2.909 -0.535 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.790 2.649 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.500 1.886 -1.930 1.00 0.00 H new ATOM 905 N ILE A 68 4.158 -1.369 -3.372 1.00 0.00 N ATOM 906 CA ILE A 68 5.240 -2.173 -3.929 1.00 0.00 C ATOM 907 C ILE A 68 6.556 -1.400 -3.954 1.00 0.00 C ATOM 908 O ILE A 68 7.623 -1.973 -3.736 1.00 0.00 O ATOM 909 CB ILE A 68 4.910 -2.643 -5.358 1.00 0.00 C ATOM 910 CG1 ILE A 68 3.511 -3.263 -5.404 1.00 0.00 C ATOM 911 CG2 ILE A 68 5.954 -3.640 -5.842 1.00 0.00 C ATOM 912 CD1 ILE A 68 3.120 -3.769 -6.776 1.00 0.00 C ATOM 0 H ILE A 68 3.954 -0.515 -3.892 1.00 0.00 H new ATOM 0 HA ILE A 68 5.348 -3.042 -3.280 1.00 0.00 H new ATOM 0 HB ILE A 68 4.926 -1.779 -6.022 1.00 0.00 H new ATOM 0 HG12 ILE A 68 3.465 -4.089 -4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 68 2.782 -2.521 -5.078 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.707 -3.963 -6.853 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.936 -3.167 -5.842 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.967 -4.504 -5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 68 2.118 -4.195 -6.735 1.00 0.00 H new ATOM 0 HD12 ILE A 68 3.134 -2.942 -7.486 1.00 0.00 H new ATOM 0 HD13 ILE A 68 3.827 -4.535 -7.096 1.00 0.00 H new ATOM 924 N ALA A 69 6.480 -0.102 -4.230 1.00 0.00 N ATOM 925 CA ALA A 69 7.676 0.730 -4.287 1.00 0.00 C ATOM 926 C ALA A 69 7.376 2.175 -3.899 1.00 0.00 C ATOM 927 O ALA A 69 6.219 2.572 -3.778 1.00 0.00 O ATOM 928 CB ALA A 69 8.286 0.675 -5.680 1.00 0.00 C ATOM 0 H ALA A 69 5.608 0.394 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 69 8.391 0.335 -3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 69 9.179 1.300 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 69 8.555 -0.354 -5.919 1.00 0.00 H new ATOM 0 HB3 ALA A 69 7.562 1.040 -6.409 1.00 0.00 H new ATOM 934 N VAL A 70 8.437 2.953 -3.707 1.00 0.00 N ATOM 935 CA VAL A 70 8.306 4.357 -3.332 1.00 0.00 C ATOM 936 C VAL A 70 9.570 5.134 -3.693 1.00 0.00 C ATOM 937 O VAL A 70 10.596 5.017 -3.023 1.00 0.00 O ATOM 938 CB VAL A 70 8.025 4.508 -1.824 1.00 0.00 C ATOM 939 CG1 VAL A 70 9.130 3.857 -1.006 1.00 0.00 C ATOM 940 CG2 VAL A 70 7.866 5.973 -1.447 1.00 0.00 C ATOM 0 H VAL A 70 9.401 2.633 -3.805 1.00 0.00 H new ATOM 0 HA VAL A 70 7.462 4.765 -3.889 1.00 0.00 H new ATOM 0 HB VAL A 70 7.088 3.999 -1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.914 3.974 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 70 9.187 2.796 -1.250 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.083 4.334 -1.237 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.668 6.054 -0.378 1.00 0.00 H new ATOM 0 HG22 VAL A 70 8.782 6.512 -1.689 1.00 0.00 H new ATOM 0 HG23 VAL A 70 7.034 6.404 -2.004 1.00 0.00 H new ATOM 950 N ASN A 71 9.489 5.926 -4.760 1.00 0.00 N ATOM 951 CA ASN A 71 10.630 6.717 -5.214 1.00 0.00 C ATOM 952 C ASN A 71 11.825 5.822 -5.514 1.00 0.00 C ATOM 953 O ASN A 71 12.971 6.192 -5.257 1.00 0.00 O ATOM 954 CB ASN A 71 11.015 7.756 -4.160 1.00 0.00 C ATOM 955 CG ASN A 71 9.834 8.586 -3.705 1.00 0.00 C ATOM 956 OD1 ASN A 71 9.201 9.281 -4.501 1.00 0.00 O ATOM 957 ND2 ASN A 71 9.530 8.520 -2.415 1.00 0.00 N ATOM 0 H ASN A 71 8.647 6.037 -5.325 1.00 0.00 H new ATOM 0 HA ASN A 71 10.339 7.230 -6.130 1.00 0.00 H new ATOM 0 HB2 ASN A 71 11.453 7.250 -3.299 1.00 0.00 H new ATOM 0 HB3 ASN A 71 11.782 8.414 -4.567 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.745 9.058 -2.048 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.081 7.931 -1.791 1.00 0.00 H new ATOM 964 N GLY A 72 11.552 4.641 -6.054 1.00 0.00 N ATOM 965 CA GLY A 72 12.616 3.710 -6.373 1.00 0.00 C ATOM 966 C GLY A 72 12.812 2.665 -5.291 1.00 0.00 C ATOM 967 O GLY A 72 13.347 1.588 -5.552 1.00 0.00 O ATOM 0 H GLY A 72 10.613 4.312 -6.277 1.00 0.00 H new ATOM 0 HA2 GLY A 72 12.391 3.214 -7.317 1.00 0.00 H new ATOM 0 HA3 GLY A 72 13.546 4.260 -6.516 1.00 0.00 H new ATOM 971 N GLU A 73 12.375 2.980 -4.076 1.00 0.00 N ATOM 972 CA GLU A 73 12.504 2.056 -2.957 1.00 0.00 C ATOM 973 C GLU A 73 11.583 0.857 -3.150 1.00 0.00 C ATOM 974 O GLU A 73 10.397 0.908 -2.822 1.00 0.00 O ATOM 975 CB GLU A 73 12.184 2.761 -1.637 1.00 0.00 C ATOM 976 CG GLU A 73 13.293 2.649 -0.604 1.00 0.00 C ATOM 977 CD GLU A 73 14.499 3.499 -0.950 1.00 0.00 C ATOM 978 OE1 GLU A 73 15.230 3.136 -1.897 1.00 0.00 O ATOM 979 OE2 GLU A 73 14.715 4.529 -0.275 1.00 0.00 O ATOM 0 H GLU A 73 11.929 3.867 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 73 13.535 1.704 -2.920 1.00 0.00 H new ATOM 0 HB2 GLU A 73 11.989 3.815 -1.835 1.00 0.00 H new ATOM 0 HB3 GLU A 73 11.268 2.340 -1.222 1.00 0.00 H new ATOM 0 HG2 GLU A 73 12.909 2.950 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 73 13.600 1.607 -0.518 1.00 0.00 H new ATOM 986 N SER A 74 12.139 -0.219 -3.694 1.00 0.00 N ATOM 987 CA SER A 74 11.378 -1.435 -3.944 1.00 0.00 C ATOM 988 C SER A 74 11.004 -2.118 -2.635 1.00 0.00 C ATOM 989 O SER A 74 11.805 -2.849 -2.053 1.00 0.00 O ATOM 990 CB SER A 74 12.184 -2.394 -4.821 1.00 0.00 C ATOM 991 OG SER A 74 13.242 -2.989 -4.091 1.00 0.00 O ATOM 0 H SER A 74 13.119 -0.273 -3.971 1.00 0.00 H new ATOM 0 HA SER A 74 10.461 -1.161 -4.466 1.00 0.00 H new ATOM 0 HB2 SER A 74 11.528 -3.171 -5.214 1.00 0.00 H new ATOM 0 HB3 SER A 74 12.588 -1.855 -5.678 1.00 0.00 H new ATOM 0 HG SER A 74 12.880 -3.444 -3.302 1.00 0.00 H new ATOM 997 N LEU A 75 9.782 -1.875 -2.180 1.00 0.00 N ATOM 998 CA LEU A 75 9.301 -2.469 -0.941 1.00 0.00 C ATOM 999 C LEU A 75 9.264 -3.992 -1.039 1.00 0.00 C ATOM 1000 O LEU A 75 9.203 -4.685 -0.023 1.00 0.00 O ATOM 1001 CB LEU A 75 7.912 -1.925 -0.599 1.00 0.00 C ATOM 1002 CG LEU A 75 7.901 -0.572 0.116 1.00 0.00 C ATOM 1003 CD1 LEU A 75 6.490 -0.212 0.554 1.00 0.00 C ATOM 1004 CD2 LEU A 75 8.841 -0.589 1.312 1.00 0.00 C ATOM 0 H LEU A 75 9.107 -1.272 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 75 9.994 -2.199 -0.144 1.00 0.00 H new ATOM 0 HB2 LEU A 75 7.337 -1.836 -1.521 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.398 -2.654 0.028 1.00 0.00 H new ATOM 0 HG LEU A 75 8.250 0.187 -0.584 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.501 0.753 1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 75 5.841 -0.155 -0.320 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.115 -0.975 1.236 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.818 0.382 1.806 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.524 -1.361 2.013 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.856 -0.801 0.974 1.00 0.00 H new ATOM 1016 N LEU A 76 9.310 -4.513 -2.265 1.00 0.00 N ATOM 1017 CA LEU A 76 9.289 -5.956 -2.485 1.00 0.00 C ATOM 1018 C LEU A 76 10.370 -6.643 -1.658 1.00 0.00 C ATOM 1019 O LEU A 76 11.541 -6.661 -2.038 1.00 0.00 O ATOM 1020 CB LEU A 76 9.486 -6.268 -3.970 1.00 0.00 C ATOM 1021 CG LEU A 76 8.196 -6.381 -4.784 1.00 0.00 C ATOM 1022 CD1 LEU A 76 8.471 -6.125 -6.256 1.00 0.00 C ATOM 1023 CD2 LEU A 76 7.562 -7.749 -4.587 1.00 0.00 C ATOM 0 H LEU A 76 9.362 -3.957 -3.119 1.00 0.00 H new ATOM 0 HA LEU A 76 8.318 -6.337 -2.169 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.108 -5.489 -4.410 1.00 0.00 H new ATOM 0 HB3 LEU A 76 10.037 -7.204 -4.059 1.00 0.00 H new ATOM 0 HG LEU A 76 7.496 -5.624 -4.430 1.00 0.00 H new ATOM 0 HD11 LEU A 76 7.542 -6.210 -6.820 1.00 0.00 H new ATOM 0 HD12 LEU A 76 8.881 -5.123 -6.381 1.00 0.00 H new ATOM 0 HD13 LEU A 76 9.188 -6.859 -6.625 1.00 0.00 H new ATOM 0 HD21 LEU A 76 6.645 -7.813 -5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.257 -8.523 -4.915 1.00 0.00 H new ATOM 0 HD23 LEU A 76 7.329 -7.894 -3.532 1.00 0.00 H new ATOM 1035 N GLY A 77 9.968 -7.197 -0.522 1.00 0.00 N ATOM 1036 CA GLY A 77 10.909 -7.870 0.354 1.00 0.00 C ATOM 1037 C GLY A 77 10.787 -7.389 1.784 1.00 0.00 C ATOM 1038 O GLY A 77 10.803 -8.187 2.720 1.00 0.00 O ATOM 0 H GLY A 77 9.004 -7.193 -0.190 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.736 -8.946 0.316 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.925 -7.698 -0.002 1.00 0.00 H new ATOM 1042 N LYS A 78 10.655 -6.076 1.950 1.00 0.00 N ATOM 1043 CA LYS A 78 10.518 -5.481 3.272 1.00 0.00 C ATOM 1044 C LYS A 78 9.248 -5.967 3.948 1.00 0.00 C ATOM 1045 O LYS A 78 8.178 -5.999 3.339 1.00 0.00 O ATOM 1046 CB LYS A 78 10.499 -3.957 3.171 1.00 0.00 C ATOM 1047 CG LYS A 78 11.881 -3.335 3.178 1.00 0.00 C ATOM 1048 CD LYS A 78 11.819 -1.846 3.459 1.00 0.00 C ATOM 1049 CE LYS A 78 13.150 -1.320 3.968 1.00 0.00 C ATOM 1050 NZ LYS A 78 14.016 -0.836 2.858 1.00 0.00 N ATOM 0 H LYS A 78 10.640 -5.404 1.183 1.00 0.00 H new ATOM 0 HA LYS A 78 11.375 -5.787 3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 78 9.983 -3.668 2.255 1.00 0.00 H new ATOM 0 HB3 LYS A 78 9.923 -3.552 4.003 1.00 0.00 H new ATOM 0 HG2 LYS A 78 12.497 -3.823 3.933 1.00 0.00 H new ATOM 0 HG3 LYS A 78 12.362 -3.505 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 78 11.540 -1.314 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.041 -1.646 4.196 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.974 -0.507 4.672 1.00 0.00 H new ATOM 0 HE3 LYS A 78 13.667 -2.109 4.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.957 -0.596 3.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.108 -1.582 2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.589 0.009 2.427 1.00 0.00 H new ATOM 1064 N ALA A 79 9.374 -6.338 5.211 1.00 0.00 N ATOM 1065 CA ALA A 79 8.243 -6.816 5.977 1.00 0.00 C ATOM 1066 C ALA A 79 7.288 -5.671 6.268 1.00 0.00 C ATOM 1067 O ALA A 79 7.430 -4.578 5.721 1.00 0.00 O ATOM 1068 CB ALA A 79 8.718 -7.459 7.269 1.00 0.00 C ATOM 0 H ALA A 79 10.254 -6.316 5.727 1.00 0.00 H new ATOM 0 HA ALA A 79 7.713 -7.569 5.393 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.858 -7.814 7.836 1.00 0.00 H new ATOM 0 HB2 ALA A 79 9.373 -8.299 7.038 1.00 0.00 H new ATOM 0 HB3 ALA A 79 9.265 -6.725 7.861 1.00 0.00 H new ATOM 1074 N ASN A 80 6.317 -5.921 7.131 1.00 0.00 N ATOM 1075 CA ASN A 80 5.347 -4.899 7.490 1.00 0.00 C ATOM 1076 C ASN A 80 6.042 -3.701 8.129 1.00 0.00 C ATOM 1077 O ASN A 80 5.787 -2.555 7.761 1.00 0.00 O ATOM 1078 CB ASN A 80 4.297 -5.476 8.442 1.00 0.00 C ATOM 1079 CG ASN A 80 4.917 -6.277 9.569 1.00 0.00 C ATOM 1080 OD1 ASN A 80 5.284 -5.731 10.608 1.00 0.00 O ATOM 1081 ND2 ASN A 80 5.035 -7.585 9.365 1.00 0.00 N ATOM 0 H ASN A 80 6.179 -6.819 7.595 1.00 0.00 H new ATOM 0 HA ASN A 80 4.848 -4.562 6.582 1.00 0.00 H new ATOM 0 HB2 ASN A 80 3.705 -4.663 8.861 1.00 0.00 H new ATOM 0 HB3 ASN A 80 3.613 -6.113 7.881 1.00 0.00 H new ATOM 0 HD21 ASN A 80 5.444 -8.179 10.087 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.717 -7.995 8.487 1.00 0.00 H new ATOM 1088 N GLN A 81 6.917 -3.973 9.093 1.00 0.00 N ATOM 1089 CA GLN A 81 7.643 -2.917 9.793 1.00 0.00 C ATOM 1090 C GLN A 81 8.663 -2.226 8.886 1.00 0.00 C ATOM 1091 O GLN A 81 8.804 -1.005 8.925 1.00 0.00 O ATOM 1092 CB GLN A 81 8.347 -3.484 11.029 1.00 0.00 C ATOM 1093 CG GLN A 81 9.078 -4.794 10.775 1.00 0.00 C ATOM 1094 CD GLN A 81 10.538 -4.739 11.184 1.00 0.00 C ATOM 1095 OE1 GLN A 81 11.296 -3.851 10.551 1.00 0.00 O flip ATOM 1096 NE2 GLN A 81 10.977 -5.485 12.058 1.00 0.00 N flip ATOM 0 H GLN A 81 7.141 -4.917 9.408 1.00 0.00 H new ATOM 0 HA GLN A 81 6.911 -2.170 10.101 1.00 0.00 H new ATOM 0 HB2 GLN A 81 9.060 -2.747 11.399 1.00 0.00 H new ATOM 0 HB3 GLN A 81 7.609 -3.638 11.817 1.00 0.00 H new ATOM 0 HG2 GLN A 81 8.581 -5.595 11.323 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.011 -5.043 9.716 1.00 0.00 H new ATOM 0 HE21 GLN A 81 10.357 -6.152 12.518 1.00 0.00 H new ATOM 0 HE22 GLN A 81 11.961 -5.436 12.323 1.00 0.00 H new ATOM 1105 N GLU A 82 9.378 -3.008 8.080 1.00 0.00 N ATOM 1106 CA GLU A 82 10.385 -2.452 7.181 1.00 0.00 C ATOM 1107 C GLU A 82 9.758 -1.520 6.161 1.00 0.00 C ATOM 1108 O GLU A 82 10.215 -0.394 5.966 1.00 0.00 O ATOM 1109 CB GLU A 82 11.121 -3.573 6.450 1.00 0.00 C ATOM 1110 CG GLU A 82 12.050 -4.366 7.341 1.00 0.00 C ATOM 1111 CD GLU A 82 12.612 -5.595 6.655 1.00 0.00 C ATOM 1112 OE1 GLU A 82 13.236 -5.445 5.584 1.00 0.00 O ATOM 1113 OE2 GLU A 82 12.430 -6.710 7.190 1.00 0.00 O ATOM 0 H GLU A 82 9.279 -4.022 8.031 1.00 0.00 H new ATOM 0 HA GLU A 82 11.090 -1.884 7.788 1.00 0.00 H new ATOM 0 HB2 GLU A 82 10.389 -4.249 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.696 -3.144 5.629 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.872 -3.727 7.662 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.513 -4.670 8.239 1.00 0.00 H new ATOM 1120 N ALA A 83 8.716 -1.998 5.504 1.00 0.00 N ATOM 1121 CA ALA A 83 8.034 -1.209 4.496 1.00 0.00 C ATOM 1122 C ALA A 83 7.374 0.001 5.131 1.00 0.00 C ATOM 1123 O ALA A 83 7.299 1.071 4.527 1.00 0.00 O ATOM 1124 CB ALA A 83 7.019 -2.059 3.757 1.00 0.00 C ATOM 0 H ALA A 83 8.325 -2.928 5.651 1.00 0.00 H new ATOM 0 HA ALA A 83 8.767 -0.854 3.772 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.516 -1.452 3.004 1.00 0.00 H new ATOM 0 HB2 ALA A 83 7.527 -2.892 3.272 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.284 -2.444 4.463 1.00 0.00 H new ATOM 1130 N MET A 84 6.914 -0.171 6.365 1.00 0.00 N ATOM 1131 CA MET A 84 6.281 0.918 7.088 1.00 0.00 C ATOM 1132 C MET A 84 7.306 1.993 7.422 1.00 0.00 C ATOM 1133 O MET A 84 6.975 3.172 7.539 1.00 0.00 O ATOM 1134 CB MET A 84 5.615 0.413 8.361 1.00 0.00 C ATOM 1135 CG MET A 84 4.111 0.341 8.233 1.00 0.00 C ATOM 1136 SD MET A 84 3.340 -0.589 9.562 1.00 0.00 S ATOM 1137 CE MET A 84 3.331 -2.211 8.818 1.00 0.00 C ATOM 0 H MET A 84 6.968 -1.050 6.880 1.00 0.00 H new ATOM 0 HA MET A 84 5.510 1.349 6.449 1.00 0.00 H new ATOM 0 HB2 MET A 84 6.004 -0.576 8.604 1.00 0.00 H new ATOM 0 HB3 MET A 84 5.876 1.071 9.190 1.00 0.00 H new ATOM 0 HG2 MET A 84 3.704 1.352 8.220 1.00 0.00 H new ATOM 0 HG3 MET A 84 3.854 -0.118 7.278 1.00 0.00 H new ATOM 0 HE1 MET A 84 2.312 -2.599 8.802 1.00 0.00 H new ATOM 0 HE2 MET A 84 3.710 -2.146 7.798 1.00 0.00 H new ATOM 0 HE3 MET A 84 3.965 -2.881 9.398 1.00 0.00 H new ATOM 1147 N GLU A 85 8.559 1.570 7.560 1.00 0.00 N ATOM 1148 CA GLU A 85 9.648 2.486 7.864 1.00 0.00 C ATOM 1149 C GLU A 85 10.137 3.141 6.581 1.00 0.00 C ATOM 1150 O GLU A 85 10.512 4.311 6.573 1.00 0.00 O ATOM 1151 CB GLU A 85 10.786 1.740 8.584 1.00 0.00 C ATOM 1152 CG GLU A 85 12.022 1.484 7.729 1.00 0.00 C ATOM 1153 CD GLU A 85 13.138 0.815 8.505 1.00 0.00 C ATOM 1154 OE1 GLU A 85 13.204 1.007 9.737 1.00 0.00 O ATOM 1155 OE2 GLU A 85 13.947 0.095 7.881 1.00 0.00 O ATOM 0 H GLU A 85 8.844 0.595 7.465 1.00 0.00 H new ATOM 0 HA GLU A 85 9.290 3.269 8.533 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.081 2.315 9.461 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.405 0.784 8.943 1.00 0.00 H new ATOM 0 HG2 GLU A 85 11.749 0.858 6.880 1.00 0.00 H new ATOM 0 HG3 GLU A 85 12.382 2.430 7.325 1.00 0.00 H new ATOM 1162 N THR A 86 10.105 2.379 5.492 1.00 0.00 N ATOM 1163 CA THR A 86 10.516 2.886 4.192 1.00 0.00 C ATOM 1164 C THR A 86 9.588 4.019 3.776 1.00 0.00 C ATOM 1165 O THR A 86 10.027 5.030 3.226 1.00 0.00 O ATOM 1166 CB THR A 86 10.489 1.760 3.152 1.00 0.00 C ATOM 1167 OG1 THR A 86 11.608 0.907 3.309 1.00 0.00 O ATOM 1168 CG2 THR A 86 10.489 2.257 1.724 1.00 0.00 C ATOM 0 H THR A 86 9.798 1.406 5.487 1.00 0.00 H new ATOM 0 HA THR A 86 11.536 3.266 4.257 1.00 0.00 H new ATOM 0 HB THR A 86 9.555 1.227 3.331 1.00 0.00 H new ATOM 0 HG1 THR A 86 12.432 1.424 3.192 1.00 0.00 H new ATOM 0 HG21 THR A 86 10.469 1.406 1.043 1.00 0.00 H new ATOM 0 HG22 THR A 86 9.609 2.878 1.555 1.00 0.00 H new ATOM 0 HG23 THR A 86 11.389 2.846 1.544 1.00 0.00 H new ATOM 1176 N LEU A 87 8.304 3.850 4.075 1.00 0.00 N ATOM 1177 CA LEU A 87 7.309 4.865 3.766 1.00 0.00 C ATOM 1178 C LEU A 87 7.548 6.065 4.661 1.00 0.00 C ATOM 1179 O LEU A 87 7.677 7.194 4.192 1.00 0.00 O ATOM 1180 CB LEU A 87 5.895 4.317 3.976 1.00 0.00 C ATOM 1181 CG LEU A 87 5.524 3.130 3.087 1.00 0.00 C ATOM 1182 CD1 LEU A 87 4.447 2.284 3.749 1.00 0.00 C ATOM 1183 CD2 LEU A 87 5.059 3.611 1.720 1.00 0.00 C ATOM 0 H LEU A 87 7.930 3.018 4.531 1.00 0.00 H new ATOM 0 HA LEU A 87 7.400 5.159 2.720 1.00 0.00 H new ATOM 0 HB2 LEU A 87 5.788 4.018 5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.180 5.121 3.800 1.00 0.00 H new ATOM 0 HG LEU A 87 6.412 2.512 2.951 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.195 1.444 3.102 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.815 1.909 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 87 3.558 2.892 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.799 2.752 1.101 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.185 4.251 1.838 1.00 0.00 H new ATOM 0 HD23 LEU A 87 5.860 4.175 1.241 1.00 0.00 H new ATOM 1195 N ARG A 88 7.650 5.798 5.959 1.00 0.00 N ATOM 1196 CA ARG A 88 7.924 6.842 6.931 1.00 0.00 C ATOM 1197 C ARG A 88 9.239 7.520 6.578 1.00 0.00 C ATOM 1198 O ARG A 88 9.431 8.711 6.824 1.00 0.00 O ATOM 1199 CB ARG A 88 7.991 6.257 8.342 1.00 0.00 C ATOM 1200 CG ARG A 88 6.650 5.769 8.863 1.00 0.00 C ATOM 1201 CD ARG A 88 6.808 4.944 10.130 1.00 0.00 C ATOM 1202 NE ARG A 88 5.523 4.674 10.771 1.00 0.00 N ATOM 1203 CZ ARG A 88 5.392 4.299 12.041 1.00 0.00 C ATOM 1204 NH1 ARG A 88 6.464 4.150 12.810 1.00 0.00 N ATOM 1205 NH2 ARG A 88 4.186 4.076 12.544 1.00 0.00 N ATOM 0 H ARG A 88 7.546 4.865 6.359 1.00 0.00 H new ATOM 0 HA ARG A 88 7.118 7.576 6.907 1.00 0.00 H new ATOM 0 HB2 ARG A 88 8.698 5.427 8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 88 8.382 7.014 9.022 1.00 0.00 H new ATOM 0 HG2 ARG A 88 6.004 6.624 9.063 1.00 0.00 H new ATOM 0 HG3 ARG A 88 6.158 5.170 8.097 1.00 0.00 H new ATOM 0 HD2 ARG A 88 7.299 4.001 9.890 1.00 0.00 H new ATOM 0 HD3 ARG A 88 7.457 5.472 10.828 1.00 0.00 H new ATOM 0 HE ARG A 88 4.676 4.779 10.212 1.00 0.00 H new ATOM 0 HH11 ARG A 88 7.394 4.323 12.428 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.358 3.862 13.783 1.00 0.00 H new ATOM 0 HH21 ARG A 88 3.359 4.192 11.958 1.00 0.00 H new ATOM 0 HH22 ARG A 88 4.085 3.788 13.517 1.00 0.00 H new ATOM 1219 N ARG A 89 10.137 6.744 5.973 1.00 0.00 N ATOM 1220 CA ARG A 89 11.432 7.254 5.551 1.00 0.00 C ATOM 1221 C ARG A 89 11.252 8.217 4.394 1.00 0.00 C ATOM 1222 O ARG A 89 11.848 9.293 4.362 1.00 0.00 O ATOM 1223 CB ARG A 89 12.346 6.104 5.126 1.00 0.00 C ATOM 1224 CG ARG A 89 13.454 5.817 6.118 1.00 0.00 C ATOM 1225 CD ARG A 89 14.446 4.804 5.574 1.00 0.00 C ATOM 1226 NE ARG A 89 15.149 4.096 6.640 1.00 0.00 N ATOM 1227 CZ ARG A 89 16.290 3.434 6.465 1.00 0.00 C ATOM 1228 NH1 ARG A 89 16.860 3.385 5.267 1.00 0.00 N ATOM 1229 NH2 ARG A 89 16.865 2.821 7.491 1.00 0.00 N ATOM 0 H ARG A 89 9.987 5.757 5.765 1.00 0.00 H new ATOM 0 HA ARG A 89 11.892 7.776 6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 89 11.746 5.204 4.992 1.00 0.00 H new ATOM 0 HB3 ARG A 89 12.788 6.340 4.158 1.00 0.00 H new ATOM 0 HG2 ARG A 89 13.975 6.743 6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 89 13.023 5.442 7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 89 13.921 4.084 4.946 1.00 0.00 H new ATOM 0 HD3 ARG A 89 15.171 5.312 4.938 1.00 0.00 H new ATOM 0 HE ARG A 89 14.741 4.110 7.575 1.00 0.00 H new ATOM 0 HH11 ARG A 89 16.423 3.856 4.475 1.00 0.00 H new ATOM 0 HH12 ARG A 89 17.735 2.876 5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 89 16.433 2.857 8.414 1.00 0.00 H new ATOM 0 HH22 ARG A 89 17.740 2.314 7.357 1.00 0.00 H new ATOM 1243 N SER A 90 10.416 7.817 3.445 1.00 0.00 N ATOM 1244 CA SER A 90 10.144 8.640 2.283 1.00 0.00 C ATOM 1245 C SER A 90 9.449 9.928 2.698 1.00 0.00 C ATOM 1246 O SER A 90 9.851 11.023 2.305 1.00 0.00 O ATOM 1247 CB SER A 90 9.286 7.876 1.274 1.00 0.00 C ATOM 1248 OG SER A 90 10.083 7.305 0.251 1.00 0.00 O ATOM 0 H SER A 90 9.917 6.928 3.461 1.00 0.00 H new ATOM 0 HA SER A 90 11.093 8.892 1.809 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.730 7.091 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.552 8.550 0.833 1.00 0.00 H new ATOM 0 HG SER A 90 9.971 6.331 0.254 1.00 0.00 H new ATOM 1254 N MET A 91 8.410 9.784 3.511 1.00 0.00 N ATOM 1255 CA MET A 91 7.660 10.933 4.003 1.00 0.00 C ATOM 1256 C MET A 91 8.500 11.736 4.993 1.00 0.00 C ATOM 1257 O MET A 91 8.177 12.882 5.310 1.00 0.00 O ATOM 1258 CB MET A 91 6.366 10.471 4.679 1.00 0.00 C ATOM 1259 CG MET A 91 5.534 9.523 3.833 1.00 0.00 C ATOM 1260 SD MET A 91 5.195 10.167 2.185 1.00 0.00 S ATOM 1261 CE MET A 91 4.411 8.748 1.428 1.00 0.00 C ATOM 0 H MET A 91 8.067 8.883 3.844 1.00 0.00 H new ATOM 0 HA MET A 91 7.412 11.570 3.154 1.00 0.00 H new ATOM 0 HB2 MET A 91 6.615 9.980 5.620 1.00 0.00 H new ATOM 0 HB3 MET A 91 5.764 11.346 4.925 1.00 0.00 H new ATOM 0 HG2 MET A 91 6.056 8.570 3.745 1.00 0.00 H new ATOM 0 HG3 MET A 91 4.590 9.324 4.341 1.00 0.00 H new ATOM 0 HE1 MET A 91 4.108 8.999 0.411 1.00 0.00 H new ATOM 0 HE2 MET A 91 5.113 7.915 1.402 1.00 0.00 H new ATOM 0 HE3 MET A 91 3.533 8.465 2.009 1.00 0.00 H new ATOM 1271 N SER A 92 9.570 11.120 5.489 1.00 0.00 N ATOM 1272 CA SER A 92 10.450 11.769 6.453 1.00 0.00 C ATOM 1273 C SER A 92 11.423 12.730 5.779 1.00 0.00 C ATOM 1274 O SER A 92 11.499 13.903 6.146 1.00 0.00 O ATOM 1275 CB SER A 92 11.228 10.719 7.249 1.00 0.00 C ATOM 1276 OG SER A 92 10.521 10.334 8.415 1.00 0.00 O ATOM 0 H SER A 92 9.848 10.171 5.238 1.00 0.00 H new ATOM 0 HA SER A 92 9.821 12.349 7.128 1.00 0.00 H new ATOM 0 HB2 SER A 92 11.408 9.844 6.624 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.203 11.118 7.527 1.00 0.00 H new ATOM 0 HG SER A 92 9.759 9.771 8.165 1.00 0.00 H new ATOM 1282 N THR A 93 12.177 12.229 4.807 1.00 0.00 N ATOM 1283 CA THR A 93 13.157 13.058 4.110 1.00 0.00 C ATOM 1284 C THR A 93 13.839 12.299 2.973 1.00 0.00 C ATOM 1285 O THR A 93 15.065 12.180 2.946 1.00 0.00 O ATOM 1286 CB THR A 93 14.212 13.538 5.101 1.00 0.00 C ATOM 1287 OG1 THR A 93 15.145 14.398 4.468 1.00 0.00 O ATOM 1288 CG2 THR A 93 14.982 12.396 5.726 1.00 0.00 C ATOM 0 H THR A 93 12.131 11.262 4.485 1.00 0.00 H new ATOM 0 HA THR A 93 12.628 13.907 3.677 1.00 0.00 H new ATOM 0 HB THR A 93 13.668 14.068 5.883 1.00 0.00 H new ATOM 0 HG1 THR A 93 15.651 13.894 3.796 1.00 0.00 H new ATOM 0 HG21 THR A 93 15.720 12.793 6.423 1.00 0.00 H new ATOM 0 HG22 THR A 93 14.293 11.742 6.260 1.00 0.00 H new ATOM 0 HG23 THR A 93 15.489 11.829 4.945 1.00 0.00 H new ATOM 1296 N GLU A 94 13.052 11.799 2.031 1.00 0.00 N ATOM 1297 CA GLU A 94 13.593 11.068 0.891 1.00 0.00 C ATOM 1298 C GLU A 94 12.598 11.105 -0.252 1.00 0.00 C ATOM 1299 O GLU A 94 12.942 11.430 -1.387 1.00 0.00 O ATOM 1300 CB GLU A 94 13.906 9.613 1.262 1.00 0.00 C ATOM 1301 CG GLU A 94 14.872 9.457 2.427 1.00 0.00 C ATOM 1302 CD GLU A 94 16.284 9.893 2.085 1.00 0.00 C ATOM 1303 OE1 GLU A 94 16.437 10.877 1.331 1.00 0.00 O ATOM 1304 OE2 GLU A 94 17.237 9.250 2.571 1.00 0.00 O ATOM 0 H GLU A 94 12.036 11.886 2.033 1.00 0.00 H new ATOM 0 HA GLU A 94 14.524 11.546 0.586 1.00 0.00 H new ATOM 0 HB2 GLU A 94 12.974 9.105 1.508 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.323 9.110 0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.511 10.042 3.273 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.886 8.414 2.744 1.00 0.00 H new ATOM 1311 N GLY A 95 11.352 10.800 0.070 1.00 0.00 N ATOM 1312 CA GLY A 95 10.304 10.834 -0.922 1.00 0.00 C ATOM 1313 C GLY A 95 9.815 12.249 -1.123 1.00 0.00 C ATOM 1314 O GLY A 95 9.364 12.613 -2.207 1.00 0.00 O ATOM 0 H GLY A 95 11.048 10.529 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 95 10.674 10.433 -1.865 1.00 0.00 H new ATOM 0 HA3 GLY A 95 9.477 10.198 -0.608 1.00 0.00 H new ATOM 1318 N ASN A 96 9.930 13.051 -0.067 1.00 0.00 N ATOM 1319 CA ASN A 96 9.522 14.444 -0.115 1.00 0.00 C ATOM 1320 C ASN A 96 10.668 15.309 -0.644 1.00 0.00 C ATOM 1321 O ASN A 96 10.888 15.375 -1.851 1.00 0.00 O ATOM 1322 CB ASN A 96 9.074 14.917 1.276 1.00 0.00 C ATOM 1323 CG ASN A 96 8.802 16.411 1.327 1.00 0.00 C ATOM 1324 OD1 ASN A 96 8.264 16.953 0.242 1.00 0.00 O flip ATOM 1325 ND2 ASN A 96 9.074 17.069 2.333 1.00 0.00 N flip ATOM 0 H ASN A 96 10.305 12.754 0.834 1.00 0.00 H new ATOM 0 HA ASN A 96 8.676 14.543 -0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.172 14.377 1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 96 9.844 14.667 2.006 1.00 0.00 H new ATOM 0 HD21 ASN A 96 9.487 16.611 3.146 1.00 0.00 H new ATOM 0 HD22 ASN A 96 8.886 18.071 2.353 1.00 0.00 H new ATOM 1332 N LYS A 97 11.398 15.965 0.266 1.00 0.00 N ATOM 1333 CA LYS A 97 12.529 16.821 -0.097 1.00 0.00 C ATOM 1334 C LYS A 97 12.226 17.725 -1.304 1.00 0.00 C ATOM 1335 O LYS A 97 13.140 18.290 -1.903 1.00 0.00 O ATOM 1336 CB LYS A 97 13.763 15.954 -0.375 1.00 0.00 C ATOM 1337 CG LYS A 97 13.706 15.216 -1.698 1.00 0.00 C ATOM 1338 CD LYS A 97 14.902 14.305 -1.886 1.00 0.00 C ATOM 1339 CE LYS A 97 14.639 13.288 -2.981 1.00 0.00 C ATOM 1340 NZ LYS A 97 15.646 12.192 -2.981 1.00 0.00 N ATOM 0 H LYS A 97 11.221 15.917 1.269 1.00 0.00 H new ATOM 0 HA LYS A 97 12.723 17.482 0.748 1.00 0.00 H new ATOM 0 HB2 LYS A 97 14.651 16.586 -0.360 1.00 0.00 H new ATOM 0 HB3 LYS A 97 13.875 15.228 0.431 1.00 0.00 H new ATOM 0 HG2 LYS A 97 12.790 14.628 -1.747 1.00 0.00 H new ATOM 0 HG3 LYS A 97 13.666 15.937 -2.515 1.00 0.00 H new ATOM 0 HD2 LYS A 97 15.781 14.899 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 97 15.123 13.790 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 97 13.643 12.865 -2.850 1.00 0.00 H new ATOM 0 HE3 LYS A 97 14.648 13.788 -3.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 15.428 11.520 -3.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 16.594 12.592 -3.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 15.620 11.697 -2.067 1.00 0.00 H new ATOM 1354 N ARG A 98 10.946 17.853 -1.662 1.00 0.00 N ATOM 1355 CA ARG A 98 10.536 18.682 -2.795 1.00 0.00 C ATOM 1356 C ARG A 98 9.104 19.171 -2.608 1.00 0.00 C ATOM 1357 O ARG A 98 8.791 20.336 -2.852 1.00 0.00 O ATOM 1358 CB ARG A 98 10.625 17.905 -4.120 1.00 0.00 C ATOM 1359 CG ARG A 98 11.662 16.788 -4.145 1.00 0.00 C ATOM 1360 CD ARG A 98 11.042 15.457 -4.547 1.00 0.00 C ATOM 1361 NE ARG A 98 10.759 15.395 -5.979 1.00 0.00 N ATOM 1362 CZ ARG A 98 11.686 15.180 -6.909 1.00 0.00 C ATOM 1363 NH1 ARG A 98 12.956 15.006 -6.564 1.00 0.00 N ATOM 1364 NH2 ARG A 98 11.343 15.139 -8.190 1.00 0.00 N ATOM 0 H ARG A 98 10.174 17.391 -1.181 1.00 0.00 H new ATOM 0 HA ARG A 98 11.217 19.532 -2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 98 9.647 17.477 -4.339 1.00 0.00 H new ATOM 0 HB3 ARG A 98 10.852 18.608 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 98 12.458 17.045 -4.844 1.00 0.00 H new ATOM 0 HG3 ARG A 98 12.120 16.694 -3.161 1.00 0.00 H new ATOM 0 HD2 ARG A 98 11.718 14.646 -4.276 1.00 0.00 H new ATOM 0 HD3 ARG A 98 10.119 15.304 -3.988 1.00 0.00 H new ATOM 0 HE ARG A 98 9.794 15.524 -6.284 1.00 0.00 H new ATOM 0 HH11 ARG A 98 13.226 15.037 -5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 98 13.662 14.842 -7.282 1.00 0.00 H new ATOM 0 HH21 ARG A 98 10.369 15.272 -8.462 1.00 0.00 H new ATOM 0 HH22 ARG A 98 12.053 14.974 -8.903 1.00 0.00 H new ATOM 1378 N GLY A 99 8.245 18.256 -2.186 1.00 0.00 N ATOM 1379 CA GLY A 99 6.844 18.570 -1.977 1.00 0.00 C ATOM 1380 C GLY A 99 5.926 17.499 -2.546 1.00 0.00 C ATOM 1381 O GLY A 99 4.742 17.745 -2.776 1.00 0.00 O ATOM 0 H GLY A 99 8.496 17.289 -1.982 1.00 0.00 H new ATOM 0 HA2 GLY A 99 6.653 18.681 -0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.614 19.528 -2.443 1.00 0.00 H new ATOM 1385 N MET A 100 6.480 16.310 -2.778 1.00 0.00 N ATOM 1386 CA MET A 100 5.727 15.196 -3.324 1.00 0.00 C ATOM 1387 C MET A 100 6.592 13.941 -3.398 1.00 0.00 C ATOM 1388 O MET A 100 7.819 14.024 -3.379 1.00 0.00 O ATOM 1389 CB MET A 100 5.192 15.559 -4.708 1.00 0.00 C ATOM 1390 CG MET A 100 6.225 15.456 -5.822 1.00 0.00 C ATOM 1391 SD MET A 100 5.685 14.398 -7.177 1.00 0.00 S ATOM 1392 CE MET A 100 5.361 12.874 -6.294 1.00 0.00 C ATOM 0 H MET A 100 7.460 16.098 -2.592 1.00 0.00 H new ATOM 0 HA MET A 100 4.886 14.987 -2.663 1.00 0.00 H new ATOM 0 HB2 MET A 100 4.353 14.905 -4.944 1.00 0.00 H new ATOM 0 HB3 MET A 100 4.804 16.577 -4.680 1.00 0.00 H new ATOM 0 HG2 MET A 100 6.438 16.453 -6.208 1.00 0.00 H new ATOM 0 HG3 MET A 100 7.157 15.067 -5.412 1.00 0.00 H new ATOM 0 HE1 MET A 100 5.260 12.055 -7.006 1.00 0.00 H new ATOM 0 HE2 MET A 100 6.187 12.664 -5.615 1.00 0.00 H new ATOM 0 HE3 MET A 100 4.438 12.974 -5.723 1.00 0.00 H new ATOM 1402 N ILE A 101 5.950 12.778 -3.488 1.00 0.00 N ATOM 1403 CA ILE A 101 6.673 11.512 -3.568 1.00 0.00 C ATOM 1404 C ILE A 101 5.931 10.511 -4.452 1.00 0.00 C ATOM 1405 O ILE A 101 4.702 10.527 -4.531 1.00 0.00 O ATOM 1406 CB ILE A 101 6.928 10.905 -2.158 1.00 0.00 C ATOM 1407 CG1 ILE A 101 6.351 9.492 -2.031 1.00 0.00 C ATOM 1408 CG2 ILE A 101 6.353 11.801 -1.071 1.00 0.00 C ATOM 1409 CD1 ILE A 101 6.650 8.845 -0.697 1.00 0.00 C ATOM 0 H ILE A 101 4.934 12.687 -3.507 1.00 0.00 H new ATOM 0 HA ILE A 101 7.642 11.723 -4.021 1.00 0.00 H new ATOM 0 HB ILE A 101 8.008 10.839 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 101 5.271 9.533 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 101 6.755 8.868 -2.829 1.00 0.00 H new ATOM 0 HG21 ILE A 101 6.543 11.356 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 101 6.825 12.782 -1.121 1.00 0.00 H new ATOM 0 HG23 ILE A 101 5.278 11.907 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.214 7.846 -0.671 1.00 0.00 H new ATOM 0 HD12 ILE A 101 7.729 8.773 -0.561 1.00 0.00 H new ATOM 0 HD13 ILE A 101 6.223 9.448 0.104 1.00 0.00 H new ATOM 1421 N GLN A 102 6.688 9.642 -5.113 1.00 0.00 N ATOM 1422 CA GLN A 102 6.109 8.632 -5.991 1.00 0.00 C ATOM 1423 C GLN A 102 5.960 7.307 -5.252 1.00 0.00 C ATOM 1424 O GLN A 102 6.867 6.877 -4.540 1.00 0.00 O ATOM 1425 CB GLN A 102 6.982 8.444 -7.233 1.00 0.00 C ATOM 1426 CG GLN A 102 6.457 7.389 -8.194 1.00 0.00 C ATOM 1427 CD GLN A 102 7.526 6.399 -8.615 1.00 0.00 C ATOM 1428 OE1 GLN A 102 7.707 5.356 -7.986 1.00 0.00 O ATOM 1429 NE2 GLN A 102 8.244 6.724 -9.684 1.00 0.00 N ATOM 0 H GLN A 102 7.706 9.617 -5.057 1.00 0.00 H new ATOM 0 HA GLN A 102 5.121 8.972 -6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.060 9.395 -7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.989 8.169 -6.920 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.634 6.851 -7.723 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.052 7.879 -9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.060 7.599 -10.175 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.979 6.099 -10.014 1.00 0.00 H new ATOM 1438 N LEU A 103 4.811 6.665 -5.424 1.00 0.00 N ATOM 1439 CA LEU A 103 4.549 5.391 -4.768 1.00 0.00 C ATOM 1440 C LEU A 103 3.904 4.399 -5.728 1.00 0.00 C ATOM 1441 O LEU A 103 2.933 4.722 -6.413 1.00 0.00 O ATOM 1442 CB LEU A 103 3.648 5.598 -3.550 1.00 0.00 C ATOM 1443 CG LEU A 103 4.360 6.112 -2.296 1.00 0.00 C ATOM 1444 CD1 LEU A 103 3.466 7.071 -1.528 1.00 0.00 C ATOM 1445 CD2 LEU A 103 4.784 4.949 -1.411 1.00 0.00 C ATOM 0 H LEU A 103 4.048 7.005 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 103 5.504 4.979 -4.442 1.00 0.00 H new ATOM 0 HB2 LEU A 103 2.860 6.302 -3.816 1.00 0.00 H new ATOM 0 HB3 LEU A 103 3.163 4.652 -3.311 1.00 0.00 H new ATOM 0 HG LEU A 103 5.254 6.653 -2.605 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.990 7.425 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 103 3.213 7.920 -2.163 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.553 6.557 -1.229 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.289 5.332 -0.524 1.00 0.00 H new ATOM 0 HD22 LEU A 103 3.904 4.381 -1.111 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.464 4.300 -1.964 1.00 0.00 H new ATOM 1457 N ILE A 104 4.448 3.186 -5.764 1.00 0.00 N ATOM 1458 CA ILE A 104 3.924 2.138 -6.628 1.00 0.00 C ATOM 1459 C ILE A 104 3.115 1.136 -5.823 1.00 0.00 C ATOM 1460 O ILE A 104 3.461 0.809 -4.688 1.00 0.00 O ATOM 1461 CB ILE A 104 5.045 1.394 -7.374 1.00 0.00 C ATOM 1462 CG1 ILE A 104 5.912 2.382 -8.147 1.00 0.00 C ATOM 1463 CG2 ILE A 104 4.461 0.349 -8.314 1.00 0.00 C ATOM 1464 CD1 ILE A 104 5.124 3.300 -9.057 1.00 0.00 C ATOM 0 H ILE A 104 5.253 2.906 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 104 3.284 2.626 -7.363 1.00 0.00 H new ATOM 0 HB ILE A 104 5.669 0.884 -6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 104 6.479 2.986 -7.439 1.00 0.00 H new ATOM 0 HG13 ILE A 104 6.636 1.827 -8.744 1.00 0.00 H new ATOM 0 HG21 ILE A 104 5.269 -0.166 -8.832 1.00 0.00 H new ATOM 0 HG22 ILE A 104 3.880 -0.373 -7.740 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.815 0.837 -9.044 1.00 0.00 H new ATOM 0 HD11 ILE A 104 5.807 3.974 -9.574 1.00 0.00 H new ATOM 0 HD12 ILE A 104 4.578 2.705 -9.789 1.00 0.00 H new ATOM 0 HD13 ILE A 104 4.419 3.882 -8.464 1.00 0.00 H new ATOM 1476 N VAL A 105 2.034 0.656 -6.417 1.00 0.00 N ATOM 1477 CA VAL A 105 1.167 -0.309 -5.754 1.00 0.00 C ATOM 1478 C VAL A 105 0.655 -1.366 -6.725 1.00 0.00 C ATOM 1479 O VAL A 105 0.730 -1.198 -7.942 1.00 0.00 O ATOM 1480 CB VAL A 105 -0.039 0.382 -5.092 1.00 0.00 C ATOM 1481 CG1 VAL A 105 0.408 1.226 -3.908 1.00 0.00 C ATOM 1482 CG2 VAL A 105 -0.791 1.228 -6.107 1.00 0.00 C ATOM 0 H VAL A 105 1.735 0.918 -7.356 1.00 0.00 H new ATOM 0 HA VAL A 105 1.773 -0.792 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 105 -0.716 -0.388 -4.721 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.460 1.705 -3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.897 0.589 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 105 1.108 1.989 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.640 1.709 -5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -0.124 1.990 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.148 0.592 -6.917 1.00 0.00 H new ATOM 1492 N ALA A 106 0.122 -2.451 -6.173 1.00 0.00 N ATOM 1493 CA ALA A 106 -0.418 -3.538 -6.978 1.00 0.00 C ATOM 1494 C ALA A 106 -1.913 -3.700 -6.721 1.00 0.00 C ATOM 1495 O ALA A 106 -2.360 -3.665 -5.574 1.00 0.00 O ATOM 1496 CB ALA A 106 0.318 -4.836 -6.680 1.00 0.00 C ATOM 0 H ALA A 106 0.053 -2.600 -5.166 1.00 0.00 H new ATOM 0 HA ALA A 106 -0.274 -3.294 -8.030 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -0.098 -5.638 -7.290 1.00 0.00 H new ATOM 0 HB2 ALA A 106 1.376 -4.716 -6.911 1.00 0.00 H new ATOM 0 HB3 ALA A 106 0.203 -5.085 -5.625 1.00 0.00 H new ATOM 1502 N ARG A 107 -2.682 -3.868 -7.790 1.00 0.00 N ATOM 1503 CA ARG A 107 -4.126 -4.025 -7.668 1.00 0.00 C ATOM 1504 C ARG A 107 -4.673 -4.948 -8.752 1.00 0.00 C ATOM 1505 O ARG A 107 -4.199 -4.937 -9.888 1.00 0.00 O ATOM 1506 CB ARG A 107 -4.812 -2.660 -7.751 1.00 0.00 C ATOM 1507 CG ARG A 107 -6.324 -2.724 -7.615 1.00 0.00 C ATOM 1508 CD ARG A 107 -7.002 -1.668 -8.474 1.00 0.00 C ATOM 1509 NE ARG A 107 -6.687 -0.315 -8.025 1.00 0.00 N ATOM 1510 CZ ARG A 107 -7.091 0.788 -8.654 1.00 0.00 C ATOM 1511 NH1 ARG A 107 -7.828 0.700 -9.755 1.00 0.00 N ATOM 1512 NH2 ARG A 107 -6.759 1.981 -8.180 1.00 0.00 N ATOM 0 H ARG A 107 -2.332 -3.899 -8.747 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.336 -4.476 -6.698 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -4.413 -2.015 -6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.562 -2.195 -8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -6.676 -3.714 -7.907 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -6.604 -2.581 -6.571 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -6.689 -1.788 -9.511 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -8.081 -1.817 -8.448 1.00 0.00 H new ATOM 0 HE ARG A 107 -6.125 -0.208 -7.181 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -8.088 -0.215 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -8.135 1.548 -10.233 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -6.194 2.054 -7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -7.068 2.825 -8.662 1.00 0.00 H new ATOM 1526 N ARG A 108 -5.674 -5.745 -8.391 1.00 0.00 N ATOM 1527 CA ARG A 108 -6.289 -6.673 -9.332 1.00 0.00 C ATOM 1528 C ARG A 108 -7.189 -5.931 -10.313 1.00 0.00 C ATOM 1529 O ARG A 108 -7.265 -4.702 -10.296 1.00 0.00 O ATOM 1530 CB ARG A 108 -7.095 -7.734 -8.581 1.00 0.00 C ATOM 1531 CG ARG A 108 -6.265 -8.550 -7.601 1.00 0.00 C ATOM 1532 CD ARG A 108 -6.449 -10.043 -7.819 1.00 0.00 C ATOM 1533 NE ARG A 108 -7.638 -10.553 -7.139 1.00 0.00 N ATOM 1534 CZ ARG A 108 -7.706 -10.768 -5.826 1.00 0.00 C ATOM 1535 NH1 ARG A 108 -6.658 -10.517 -5.051 1.00 0.00 N ATOM 1536 NH2 ARG A 108 -8.825 -11.234 -5.288 1.00 0.00 N ATOM 0 H ARG A 108 -6.076 -5.766 -7.454 1.00 0.00 H new ATOM 0 HA ARG A 108 -5.495 -7.164 -9.895 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -7.906 -7.246 -8.039 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -7.555 -8.408 -9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -5.212 -8.293 -7.713 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -6.549 -8.293 -6.581 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -6.527 -10.247 -8.887 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -5.568 -10.574 -7.457 1.00 0.00 H new ATOM 0 HE ARG A 108 -8.464 -10.756 -7.702 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -5.795 -10.158 -5.460 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -6.715 -10.683 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -9.633 -11.428 -5.879 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -8.877 -11.399 -4.283 1.00 0.00 H new ATOM 1550 N ILE A 109 -7.869 -6.686 -11.169 1.00 0.00 N ATOM 1551 CA ILE A 109 -8.764 -6.099 -12.161 1.00 0.00 C ATOM 1552 C ILE A 109 -10.065 -6.884 -12.262 1.00 0.00 C ATOM 1553 O ILE A 109 -10.133 -8.050 -11.873 1.00 0.00 O ATOM 1554 CB ILE A 109 -8.102 -6.041 -13.553 1.00 0.00 C ATOM 1555 CG1 ILE A 109 -6.631 -5.633 -13.414 1.00 0.00 C ATOM 1556 CG2 ILE A 109 -8.861 -5.079 -14.457 1.00 0.00 C ATOM 1557 CD1 ILE A 109 -6.000 -5.126 -14.695 1.00 0.00 C ATOM 0 H ILE A 109 -7.818 -7.704 -11.196 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.981 -5.084 -11.828 1.00 0.00 H new ATOM 0 HB ILE A 109 -8.139 -7.029 -14.012 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -6.552 -4.857 -12.652 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.061 -6.490 -13.057 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -8.384 -5.047 -15.436 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.891 -5.418 -14.566 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -8.852 -4.082 -14.016 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -4.960 -4.860 -14.508 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.043 -5.906 -15.455 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -6.542 -4.247 -15.045 1.00 0.00 H new ATOM 1569 N SER A 110 -11.094 -6.234 -12.789 1.00 0.00 N ATOM 1570 CA SER A 110 -12.400 -6.864 -12.946 1.00 0.00 C ATOM 1571 C SER A 110 -13.003 -6.533 -14.308 1.00 0.00 C ATOM 1572 O SER A 110 -13.435 -7.423 -15.039 1.00 0.00 O ATOM 1573 CB SER A 110 -13.345 -6.412 -11.832 1.00 0.00 C ATOM 1574 OG SER A 110 -14.578 -7.110 -11.894 1.00 0.00 O ATOM 0 H SER A 110 -11.050 -5.269 -13.116 1.00 0.00 H new ATOM 0 HA SER A 110 -12.265 -7.944 -12.881 1.00 0.00 H new ATOM 0 HB2 SER A 110 -12.876 -6.581 -10.862 1.00 0.00 H new ATOM 0 HB3 SER A 110 -13.526 -5.340 -11.916 1.00 0.00 H new ATOM 0 HG SER A 110 -15.164 -6.804 -11.170 1.00 0.00 H new TER 1580 SER A 110