USER MOD reduce.3.24.130724 H: found=0, std=0, add=1051, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1053 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 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 86 CYS SG : rot 96:sc= -1.89 USER MOD Set 2.2: A 90 THR OG1 : rot 86:sc= 0.973 USER MOD Set 3.1: A 80 TYR OH : rot 46:sc= -1.07 USER MOD Set 3.2: A 89 GLN : amide:sc= -2.5! C(o=-3.6!,f=-4.9!) USER MOD Set 4.1: A 45 CYS SG : rot 142:sc= -3.64 USER MOD Set 4.2: A 69 CYS SG : rot -66:sc= -1.62 USER MOD Set 5.1: A 34 GLN :FLIP amide:sc= 0 X(o=-0.38,f=-0.37) USER MOD Set 5.2: A 37 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.37) USER MOD Single : A 10 MET CE :methyl 158:sc= -2.26 (180deg=-3.2) USER MOD Single : A 19 CYS SG : rot 100:sc= 0.673 USER MOD Single : A 20 TYR OH : rot 70:sc= -2.77! USER MOD Single : A 21 CYS SG : rot 140:sc= -0.0978 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 GLN :FLIP amide:sc= -0.849 F(o=-1.6,f=-0.85) USER MOD Single : A 31 MET CE :methyl -152:sc= -0.909 (180deg=-2.65!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 143:sc= -1.61 (180deg=-4.59!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 82 GLN : amide:sc= -2.19 K(o=-2.2,f=-6.3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 SER OG : rot -58:sc= 0.507 USER MOD Single : A 97 SER OG : rot 180:sc= -0.195 USER MOD Single : A 101 HIS : no HD1:sc= -1.39 X(o=-1.4,f=-1.8) USER MOD Single : A 102 GLN : amide:sc= -0.64 X(o=-0.64,f=-0.71) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ -111:sc= -0.796! (180deg=-1.26!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 MET CE :methyl -137:sc= -5.73! (180deg=-9.22!) USER MOD Single : A 115 LYS NZ :NH3+ 152:sc= -1.54 (180deg=-3!) USER MOD Single : A 119 SER OG : rot 53:sc= 0.184 USER MOD Single : A 125 THR OG1 : rot 180:sc= 0 USER MOD Single : A 127 CYS SG : rot -98:sc= -0.937 USER MOD Single : A 129 TYR OH : rot 93:sc= 1.2 USER MOD Single : A 130 THR OG1 : rot 180:sc=-0.00788 USER MOD Single : A 131 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 133 CYS SG : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 140 THR OG1 : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 19 N MET A 10 -6.812 -12.784 -13.120 1.00 0.00 N ATOM 20 CA MET A 10 -6.389 -12.537 -11.748 1.00 0.00 C ATOM 21 C MET A 10 -5.573 -13.716 -11.215 1.00 0.00 C ATOM 22 O MET A 10 -6.133 -14.747 -10.842 1.00 0.00 O ATOM 23 CB MET A 10 -7.609 -12.303 -10.858 1.00 0.00 C ATOM 24 CG MET A 10 -7.295 -11.554 -9.574 1.00 0.00 C ATOM 25 SD MET A 10 -8.616 -10.428 -9.088 1.00 0.00 S ATOM 26 CE MET A 10 -9.377 -11.354 -7.758 1.00 0.00 C ATOM 0 HA MET A 10 -5.761 -11.646 -11.736 1.00 0.00 H new ATOM 0 HB2 MET A 10 -8.356 -11.743 -11.421 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.054 -13.266 -10.607 1.00 0.00 H new ATOM 0 HG2 MET A 10 -7.121 -12.272 -8.772 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.371 -10.990 -9.703 1.00 0.00 H new ATOM 0 HE1 MET A 10 -9.928 -10.673 -7.110 1.00 0.00 H new ATOM 0 HE2 MET A 10 -10.062 -12.093 -8.174 1.00 0.00 H new ATOM 0 HE3 MET A 10 -8.605 -11.861 -7.179 1.00 0.00 H new ATOM 36 N PRO A 11 -4.234 -13.584 -11.174 1.00 0.00 N ATOM 37 CA PRO A 11 -3.352 -14.652 -10.688 1.00 0.00 C ATOM 38 C PRO A 11 -3.568 -14.956 -9.210 1.00 0.00 C ATOM 39 O PRO A 11 -4.260 -14.219 -8.507 1.00 0.00 O ATOM 40 CB PRO A 11 -1.943 -14.095 -10.920 1.00 0.00 C ATOM 41 CG PRO A 11 -2.119 -12.618 -10.994 1.00 0.00 C ATOM 42 CD PRO A 11 -3.474 -12.394 -11.600 1.00 0.00 C ATOM 0 HA PRO A 11 -3.539 -15.594 -11.203 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -1.271 -14.372 -10.108 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -1.510 -14.487 -11.840 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.055 -12.167 -10.004 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -1.339 -12.162 -11.603 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.930 -11.473 -11.237 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.422 -12.317 -12.686 1.00 0.00 H new ATOM 50 N GLU A 12 -2.968 -16.047 -8.742 1.00 0.00 N ATOM 51 CA GLU A 12 -3.092 -16.451 -7.347 1.00 0.00 C ATOM 52 C GLU A 12 -2.042 -15.760 -6.487 1.00 0.00 C ATOM 53 O GLU A 12 -2.297 -15.414 -5.334 1.00 0.00 O ATOM 54 CB GLU A 12 -2.958 -17.969 -7.215 1.00 0.00 C ATOM 55 CG GLU A 12 -1.791 -18.548 -7.999 1.00 0.00 C ATOM 56 CD GLU A 12 -1.310 -19.872 -7.435 1.00 0.00 C ATOM 57 OE1 GLU A 12 -2.020 -20.885 -7.608 1.00 0.00 O ATOM 58 OE2 GLU A 12 -0.223 -19.895 -6.820 1.00 0.00 O ATOM 0 H GLU A 12 -2.391 -16.667 -9.310 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.080 -16.151 -6.996 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.840 -18.225 -6.162 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.881 -18.438 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.089 -18.687 -9.038 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -0.967 -17.835 -7.996 1.00 0.00 H new ATOM 65 N ARG A 13 -0.858 -15.560 -7.057 1.00 0.00 N ATOM 66 CA ARG A 13 0.232 -14.909 -6.341 1.00 0.00 C ATOM 67 C ARG A 13 0.325 -13.437 -6.724 1.00 0.00 C ATOM 68 O ARG A 13 0.468 -13.099 -7.899 1.00 0.00 O ATOM 69 CB ARG A 13 1.557 -15.612 -6.635 1.00 0.00 C ATOM 70 CG ARG A 13 1.518 -17.109 -6.366 1.00 0.00 C ATOM 71 CD ARG A 13 1.842 -17.912 -7.614 1.00 0.00 C ATOM 72 NE ARG A 13 2.821 -18.964 -7.350 1.00 0.00 N ATOM 73 CZ ARG A 13 4.130 -18.749 -7.244 1.00 0.00 C ATOM 74 NH1 ARG A 13 4.623 -17.525 -7.384 1.00 0.00 N ATOM 75 NH2 ARG A 13 4.951 -19.762 -7.000 1.00 0.00 N ATOM 0 H ARG A 13 -0.630 -15.839 -8.011 1.00 0.00 H new ATOM 0 HA ARG A 13 0.026 -14.977 -5.273 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.825 -15.444 -7.678 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.342 -15.161 -6.028 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.230 -17.356 -5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.530 -17.388 -6.000 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.928 -18.358 -8.006 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.227 -17.244 -8.385 1.00 0.00 H new ATOM 0 HE ARG A 13 2.481 -19.919 -7.241 1.00 0.00 H new ATOM 0 HH11 ARG A 13 3.998 -16.742 -7.574 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.627 -17.367 -7.302 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.579 -20.706 -6.894 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.954 -19.597 -6.919 1.00 0.00 H new ATOM 89 N PHE A 14 0.243 -12.563 -5.727 1.00 0.00 N ATOM 90 CA PHE A 14 0.316 -11.127 -5.964 1.00 0.00 C ATOM 91 C PHE A 14 1.461 -10.499 -5.180 1.00 0.00 C ATOM 92 O PHE A 14 1.952 -11.073 -4.208 1.00 0.00 O ATOM 93 CB PHE A 14 -1.008 -10.460 -5.590 1.00 0.00 C ATOM 94 CG PHE A 14 -1.993 -10.428 -6.721 1.00 0.00 C ATOM 95 CD1 PHE A 14 -1.753 -9.651 -7.842 1.00 0.00 C ATOM 96 CD2 PHE A 14 -3.157 -11.177 -6.667 1.00 0.00 C ATOM 97 CE1 PHE A 14 -2.656 -9.620 -8.888 1.00 0.00 C ATOM 98 CE2 PHE A 14 -4.064 -11.151 -7.709 1.00 0.00 C ATOM 99 CZ PHE A 14 -3.814 -10.371 -8.821 1.00 0.00 C ATOM 0 H PHE A 14 0.126 -12.824 -4.748 1.00 0.00 H new ATOM 0 HA PHE A 14 0.505 -10.969 -7.026 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -1.450 -10.991 -4.747 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -0.813 -9.440 -5.258 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.849 -9.062 -7.900 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -3.358 -11.789 -5.800 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.457 -9.010 -9.756 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -4.968 -11.740 -7.654 1.00 0.00 H new ATOM 0 HZ PHE A 14 -4.522 -10.348 -9.636 1.00 0.00 H new ATOM 109 N ASP A 15 1.883 -9.316 -5.613 1.00 0.00 N ATOM 110 CA ASP A 15 2.974 -8.608 -4.959 1.00 0.00 C ATOM 111 C ASP A 15 2.489 -7.876 -3.713 1.00 0.00 C ATOM 112 O ASP A 15 2.822 -8.258 -2.591 1.00 0.00 O ATOM 113 CB ASP A 15 3.617 -7.617 -5.932 1.00 0.00 C ATOM 114 CG ASP A 15 5.131 -7.709 -5.933 1.00 0.00 C ATOM 115 OD1 ASP A 15 5.661 -8.756 -6.360 1.00 0.00 O ATOM 116 OD2 ASP A 15 5.786 -6.734 -5.508 1.00 0.00 O ATOM 0 H ASP A 15 1.485 -8.828 -6.415 1.00 0.00 H new ATOM 0 HA ASP A 15 3.717 -9.344 -4.652 1.00 0.00 H new ATOM 0 HB2 ASP A 15 3.243 -7.806 -6.938 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.317 -6.604 -5.665 1.00 0.00 H new ATOM 121 N ALA A 16 1.708 -6.817 -3.913 1.00 0.00 N ATOM 122 CA ALA A 16 1.194 -6.033 -2.794 1.00 0.00 C ATOM 123 C ALA A 16 -0.247 -5.589 -3.019 1.00 0.00 C ATOM 124 O ALA A 16 -0.829 -5.816 -4.081 1.00 0.00 O ATOM 125 CB ALA A 16 2.078 -4.815 -2.559 1.00 0.00 C ATOM 0 H ALA A 16 1.419 -6.484 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 16 1.209 -6.675 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.686 -4.237 -1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 16 3.093 -5.141 -2.331 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.089 -4.195 -3.455 1.00 0.00 H new ATOM 131 N PHE A 17 -0.804 -4.934 -2.004 1.00 0.00 N ATOM 132 CA PHE A 17 -2.169 -4.426 -2.066 1.00 0.00 C ATOM 133 C PHE A 17 -2.195 -2.945 -1.697 1.00 0.00 C ATOM 134 O PHE A 17 -1.455 -2.505 -0.818 1.00 0.00 O ATOM 135 CB PHE A 17 -3.079 -5.221 -1.128 1.00 0.00 C ATOM 136 CG PHE A 17 -4.530 -4.850 -1.239 1.00 0.00 C ATOM 137 CD1 PHE A 17 -5.003 -3.676 -0.674 1.00 0.00 C ATOM 138 CD2 PHE A 17 -5.421 -5.675 -1.906 1.00 0.00 C ATOM 139 CE1 PHE A 17 -6.337 -3.332 -0.773 1.00 0.00 C ATOM 140 CE2 PHE A 17 -6.758 -5.336 -2.008 1.00 0.00 C ATOM 141 CZ PHE A 17 -7.216 -4.163 -1.440 1.00 0.00 C ATOM 0 H PHE A 17 -0.326 -4.742 -1.123 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.537 -4.542 -3.085 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.967 -6.284 -1.342 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -2.751 -5.066 -0.100 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.321 -3.023 -0.150 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -5.068 -6.593 -2.351 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.693 -2.414 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -7.443 -5.987 -2.531 1.00 0.00 H new ATOM 0 HZ PHE A 17 -8.260 -3.896 -1.517 1.00 0.00 H new ATOM 151 N ILE A 18 -3.038 -2.178 -2.379 1.00 0.00 N ATOM 152 CA ILE A 18 -3.142 -0.746 -2.123 1.00 0.00 C ATOM 153 C ILE A 18 -4.329 -0.416 -1.227 1.00 0.00 C ATOM 154 O ILE A 18 -5.474 -0.733 -1.550 1.00 0.00 O ATOM 155 CB ILE A 18 -3.276 0.055 -3.436 1.00 0.00 C ATOM 156 CG1 ILE A 18 -2.071 -0.204 -4.343 1.00 0.00 C ATOM 157 CG2 ILE A 18 -3.420 1.544 -3.146 1.00 0.00 C ATOM 158 CD1 ILE A 18 -0.781 0.403 -3.831 1.00 0.00 C ATOM 0 H ILE A 18 -3.658 -2.523 -3.112 1.00 0.00 H new ATOM 0 HA ILE A 18 -2.221 -0.460 -1.615 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.176 -0.279 -3.953 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -1.936 -1.280 -4.455 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -2.282 0.196 -5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -3.513 2.090 -4.085 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -4.309 1.712 -2.539 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.541 1.896 -2.607 1.00 0.00 H new ATOM 0 HD11 ILE A 18 0.028 0.178 -4.526 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -0.896 1.484 -3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.545 -0.015 -2.852 1.00 0.00 H new ATOM 170 N CYS A 19 -4.049 0.245 -0.108 1.00 0.00 N ATOM 171 CA CYS A 19 -5.093 0.646 0.826 1.00 0.00 C ATOM 172 C CYS A 19 -5.218 2.165 0.845 1.00 0.00 C ATOM 173 O CYS A 19 -4.461 2.850 1.532 1.00 0.00 O ATOM 174 CB CYS A 19 -4.784 0.123 2.231 1.00 0.00 C ATOM 175 SG CYS A 19 -5.678 -1.385 2.669 1.00 0.00 S ATOM 0 H CYS A 19 -3.106 0.514 0.173 1.00 0.00 H new ATOM 0 HA CYS A 19 -6.040 0.216 0.499 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -3.713 -0.066 2.309 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.025 0.899 2.957 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.897 -2.413 2.516 1.00 0.00 H new ATOM 181 N TYR A 20 -6.168 2.690 0.074 1.00 0.00 N ATOM 182 CA TYR A 20 -6.371 4.132 -0.005 1.00 0.00 C ATOM 183 C TYR A 20 -7.830 4.510 0.238 1.00 0.00 C ATOM 184 O TYR A 20 -8.696 3.642 0.364 1.00 0.00 O ATOM 185 CB TYR A 20 -5.915 4.659 -1.370 1.00 0.00 C ATOM 186 CG TYR A 20 -6.326 3.792 -2.545 1.00 0.00 C ATOM 187 CD1 TYR A 20 -7.557 3.145 -2.572 1.00 0.00 C ATOM 188 CD2 TYR A 20 -5.477 3.628 -3.632 1.00 0.00 C ATOM 189 CE1 TYR A 20 -7.927 2.361 -3.648 1.00 0.00 C ATOM 190 CE2 TYR A 20 -5.841 2.844 -4.711 1.00 0.00 C ATOM 191 CZ TYR A 20 -7.067 2.214 -4.714 1.00 0.00 C ATOM 192 OH TYR A 20 -7.434 1.433 -5.788 1.00 0.00 O ATOM 0 H TYR A 20 -6.806 2.140 -0.502 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.770 4.592 0.779 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.321 5.660 -1.513 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.829 4.753 -1.365 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.235 3.257 -1.739 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -4.516 4.121 -3.634 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -8.887 1.865 -3.653 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.168 2.726 -5.547 1.00 0.00 H new ATOM 0 HH TYR A 20 -8.153 1.877 -6.284 1.00 0.00 H new ATOM 202 N CYS A 21 -8.093 5.812 0.300 1.00 0.00 N ATOM 203 CA CYS A 21 -9.444 6.316 0.523 1.00 0.00 C ATOM 204 C CYS A 21 -10.052 6.829 -0.780 1.00 0.00 C ATOM 205 O CYS A 21 -9.332 7.256 -1.684 1.00 0.00 O ATOM 206 CB CYS A 21 -9.430 7.435 1.567 1.00 0.00 C ATOM 207 SG CYS A 21 -8.253 8.761 1.212 1.00 0.00 S ATOM 0 H CYS A 21 -7.385 6.539 0.198 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.056 5.493 0.893 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -10.430 7.862 1.640 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.195 7.006 2.541 1.00 0.00 H new ATOM 0 HG CYS A 21 -8.791 9.908 1.504 1.00 0.00 H new ATOM 213 N PRO A 22 -11.391 6.793 -0.896 1.00 0.00 N ATOM 214 CA PRO A 22 -12.093 7.255 -2.097 1.00 0.00 C ATOM 215 C PRO A 22 -12.129 8.779 -2.218 1.00 0.00 C ATOM 216 O PRO A 22 -12.668 9.318 -3.184 1.00 0.00 O ATOM 217 CB PRO A 22 -13.506 6.703 -1.907 1.00 0.00 C ATOM 218 CG PRO A 22 -13.681 6.620 -0.430 1.00 0.00 C ATOM 219 CD PRO A 22 -12.324 6.298 0.135 1.00 0.00 C ATOM 0 HA PRO A 22 -11.599 6.917 -3.008 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -14.251 7.358 -2.358 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -13.616 5.725 -2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -14.057 7.561 -0.029 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -14.406 5.849 -0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -12.161 6.792 1.093 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -12.204 5.228 0.304 1.00 0.00 H new ATOM 227 N SER A 23 -11.555 9.471 -1.236 1.00 0.00 N ATOM 228 CA SER A 23 -11.527 10.929 -1.246 1.00 0.00 C ATOM 229 C SER A 23 -10.412 11.444 -2.147 1.00 0.00 C ATOM 230 O SER A 23 -10.547 12.488 -2.785 1.00 0.00 O ATOM 231 CB SER A 23 -11.339 11.465 0.175 1.00 0.00 C ATOM 232 OG SER A 23 -12.399 11.054 1.021 1.00 0.00 O ATOM 0 H SER A 23 -11.104 9.045 -0.426 1.00 0.00 H new ATOM 0 HA SER A 23 -12.480 11.284 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 23 -10.390 11.111 0.578 1.00 0.00 H new ATOM 0 HB3 SER A 23 -11.289 12.554 0.152 1.00 0.00 H new ATOM 0 HG SER A 23 -12.254 11.408 1.923 1.00 0.00 H new ATOM 238 N ASP A 24 -9.310 10.705 -2.196 1.00 0.00 N ATOM 239 CA ASP A 24 -8.171 11.082 -3.021 1.00 0.00 C ATOM 240 C ASP A 24 -7.497 9.844 -3.605 1.00 0.00 C ATOM 241 O ASP A 24 -6.275 9.705 -3.554 1.00 0.00 O ATOM 242 CB ASP A 24 -7.165 11.891 -2.200 1.00 0.00 C ATOM 243 CG ASP A 24 -6.061 12.481 -3.056 1.00 0.00 C ATOM 244 OD1 ASP A 24 -6.345 13.427 -3.821 1.00 0.00 O ATOM 245 OD2 ASP A 24 -4.915 11.996 -2.962 1.00 0.00 O ATOM 0 H ASP A 24 -9.182 9.839 -1.672 1.00 0.00 H new ATOM 0 HA ASP A 24 -8.533 11.700 -3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -7.687 12.695 -1.681 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -6.725 11.250 -1.436 1.00 0.00 H new ATOM 250 N ILE A 25 -8.306 8.948 -4.156 1.00 0.00 N ATOM 251 CA ILE A 25 -7.798 7.715 -4.747 1.00 0.00 C ATOM 252 C ILE A 25 -7.212 7.966 -6.135 1.00 0.00 C ATOM 253 O ILE A 25 -6.158 7.433 -6.479 1.00 0.00 O ATOM 254 CB ILE A 25 -8.910 6.646 -4.841 1.00 0.00 C ATOM 255 CG1 ILE A 25 -8.300 5.244 -4.952 1.00 0.00 C ATOM 256 CG2 ILE A 25 -9.845 6.932 -6.010 1.00 0.00 C ATOM 257 CD1 ILE A 25 -7.768 4.906 -6.329 1.00 0.00 C ATOM 0 H ILE A 25 -9.319 9.052 -4.206 1.00 0.00 H new ATOM 0 HA ILE A 25 -7.006 7.347 -4.094 1.00 0.00 H new ATOM 0 HB ILE A 25 -9.502 6.687 -3.927 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -7.489 5.155 -4.229 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -9.055 4.508 -4.676 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -10.618 6.165 -6.054 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -10.310 7.908 -5.874 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -9.277 6.927 -6.940 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -7.354 3.898 -6.322 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.579 4.960 -7.056 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -6.988 5.616 -6.602 1.00 0.00 H new ATOM 269 N GLN A 26 -7.908 8.776 -6.928 1.00 0.00 N ATOM 270 CA GLN A 26 -7.469 9.099 -8.284 1.00 0.00 C ATOM 271 C GLN A 26 -5.976 9.412 -8.325 1.00 0.00 C ATOM 272 O GLN A 26 -5.247 8.916 -9.187 1.00 0.00 O ATOM 273 CB GLN A 26 -8.263 10.286 -8.831 1.00 0.00 C ATOM 274 CG GLN A 26 -9.744 9.996 -9.015 1.00 0.00 C ATOM 275 CD GLN A 26 -10.272 10.475 -10.353 1.00 0.00 C ATOM 276 OE1 GLN A 26 -10.692 11.626 -10.492 1.00 0.00 O ATOM 277 NE2 GLN A 26 -10.252 9.595 -11.347 1.00 0.00 N ATOM 0 H GLN A 26 -8.783 9.223 -6.654 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.652 8.225 -8.909 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -8.149 11.132 -8.153 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.838 10.586 -9.789 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.914 8.923 -8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -10.306 10.476 -8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.896 8.653 -11.187 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.593 9.861 -12.271 1.00 0.00 H new ATOM 286 N PHE A 27 -5.530 10.233 -7.385 1.00 0.00 N ATOM 287 CA PHE A 27 -4.127 10.613 -7.305 1.00 0.00 C ATOM 288 C PHE A 27 -3.252 9.398 -7.014 1.00 0.00 C ATOM 289 O PHE A 27 -2.263 9.149 -7.706 1.00 0.00 O ATOM 290 CB PHE A 27 -3.931 11.675 -6.222 1.00 0.00 C ATOM 291 CG PHE A 27 -2.843 12.663 -6.533 1.00 0.00 C ATOM 292 CD1 PHE A 27 -1.644 12.244 -7.088 1.00 0.00 C ATOM 293 CD2 PHE A 27 -3.019 14.012 -6.270 1.00 0.00 C ATOM 294 CE1 PHE A 27 -0.642 13.152 -7.375 1.00 0.00 C ATOM 295 CE2 PHE A 27 -2.021 14.926 -6.555 1.00 0.00 C ATOM 296 CZ PHE A 27 -0.831 14.494 -7.109 1.00 0.00 C ATOM 0 H PHE A 27 -6.121 10.650 -6.666 1.00 0.00 H new ATOM 0 HA PHE A 27 -3.828 11.027 -8.268 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -4.868 12.213 -6.080 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.701 11.180 -5.278 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -1.491 11.196 -7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -3.947 14.354 -5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 27 0.288 12.812 -7.807 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.171 15.975 -6.345 1.00 0.00 H new ATOM 0 HZ PHE A 27 -0.050 15.205 -7.334 1.00 0.00 H new ATOM 306 N VAL A 28 -3.626 8.639 -5.988 1.00 0.00 N ATOM 307 CA VAL A 28 -2.877 7.449 -5.608 1.00 0.00 C ATOM 308 C VAL A 28 -2.789 6.461 -6.766 1.00 0.00 C ATOM 309 O VAL A 28 -1.696 6.087 -7.190 1.00 0.00 O ATOM 310 CB VAL A 28 -3.511 6.744 -4.394 1.00 0.00 C ATOM 311 CG1 VAL A 28 -2.592 5.650 -3.872 1.00 0.00 C ATOM 312 CG2 VAL A 28 -3.833 7.749 -3.295 1.00 0.00 C ATOM 0 H VAL A 28 -4.442 8.828 -5.406 1.00 0.00 H new ATOM 0 HA VAL A 28 -1.874 7.782 -5.340 1.00 0.00 H new ATOM 0 HB VAL A 28 -4.445 6.282 -4.715 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.056 5.163 -3.014 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.419 4.914 -4.658 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -1.641 6.088 -3.569 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.280 7.230 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.916 8.245 -2.975 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.533 8.492 -3.676 1.00 0.00 H new ATOM 322 N GLN A 29 -3.946 6.038 -7.276 1.00 0.00 N ATOM 323 CA GLN A 29 -3.998 5.095 -8.383 1.00 0.00 C ATOM 324 C GLN A 29 -3.046 5.508 -9.500 1.00 0.00 C ATOM 325 O GLN A 29 -2.414 4.664 -10.133 1.00 0.00 O ATOM 326 CB GLN A 29 -5.425 4.987 -8.918 1.00 0.00 C ATOM 327 CG GLN A 29 -5.962 6.280 -9.506 1.00 0.00 C ATOM 328 CD GLN A 29 -7.200 6.064 -10.354 1.00 0.00 C ATOM 329 OE1 GLN A 29 -8.369 6.172 -9.734 1.00 0.00 O flip ATOM 330 NE2 GLN A 29 -7.108 5.805 -11.554 1.00 0.00 N flip ATOM 0 H GLN A 29 -4.860 6.337 -6.936 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.683 4.119 -8.013 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -5.458 4.211 -9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -6.082 4.667 -8.110 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -6.196 6.973 -8.698 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -5.187 6.748 -10.113 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -6.189 5.731 -11.991 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -7.951 5.664 -12.111 1.00 0.00 H new ATOM 339 N GLU A 30 -2.936 6.813 -9.729 1.00 0.00 N ATOM 340 CA GLU A 30 -2.042 7.328 -10.758 1.00 0.00 C ATOM 341 C GLU A 30 -0.605 6.954 -10.423 1.00 0.00 C ATOM 342 O GLU A 30 0.162 6.523 -11.286 1.00 0.00 O ATOM 343 CB GLU A 30 -2.178 8.848 -10.873 1.00 0.00 C ATOM 344 CG GLU A 30 -2.062 9.365 -12.298 1.00 0.00 C ATOM 345 CD GLU A 30 -0.754 10.089 -12.552 1.00 0.00 C ATOM 346 OE1 GLU A 30 -0.356 10.910 -11.699 1.00 0.00 O ATOM 347 OE2 GLU A 30 -0.129 9.835 -13.603 1.00 0.00 O ATOM 0 H GLU A 30 -3.452 7.529 -9.218 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.314 6.885 -11.716 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.142 9.150 -10.464 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.410 9.320 -10.261 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.151 8.529 -12.992 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.893 10.040 -12.504 1.00 0.00 H new ATOM 354 N MET A 31 -0.256 7.109 -9.152 1.00 0.00 N ATOM 355 CA MET A 31 1.079 6.777 -8.676 1.00 0.00 C ATOM 356 C MET A 31 1.300 5.270 -8.723 1.00 0.00 C ATOM 357 O MET A 31 2.327 4.796 -9.209 1.00 0.00 O ATOM 358 CB MET A 31 1.265 7.293 -7.247 1.00 0.00 C ATOM 359 CG MET A 31 2.626 6.971 -6.649 1.00 0.00 C ATOM 360 SD MET A 31 2.525 5.887 -5.210 1.00 0.00 S ATOM 361 CE MET A 31 1.150 6.617 -4.322 1.00 0.00 C ATOM 0 H MET A 31 -0.883 7.464 -8.430 1.00 0.00 H new ATOM 0 HA MET A 31 1.813 7.255 -9.325 1.00 0.00 H new ATOM 0 HB2 MET A 31 1.122 8.374 -7.240 1.00 0.00 H new ATOM 0 HB3 MET A 31 0.489 6.864 -6.612 1.00 0.00 H new ATOM 0 HG2 MET A 31 3.248 6.499 -7.409 1.00 0.00 H new ATOM 0 HG3 MET A 31 3.120 7.900 -6.364 1.00 0.00 H new ATOM 0 HE1 MET A 31 1.262 6.424 -3.255 1.00 0.00 H new ATOM 0 HE2 MET A 31 1.134 7.693 -4.497 1.00 0.00 H new ATOM 0 HE3 MET A 31 0.216 6.179 -4.674 1.00 0.00 H new ATOM 371 N ILE A 32 0.324 4.519 -8.219 1.00 0.00 N ATOM 372 CA ILE A 32 0.404 3.064 -8.205 1.00 0.00 C ATOM 373 C ILE A 32 0.525 2.508 -9.618 1.00 0.00 C ATOM 374 O ILE A 32 1.502 1.837 -9.951 1.00 0.00 O ATOM 375 CB ILE A 32 -0.832 2.437 -7.527 1.00 0.00 C ATOM 376 CG1 ILE A 32 -1.094 3.085 -6.164 1.00 0.00 C ATOM 377 CG2 ILE A 32 -0.648 0.935 -7.380 1.00 0.00 C ATOM 378 CD1 ILE A 32 0.133 3.190 -5.287 1.00 0.00 C ATOM 0 H ILE A 32 -0.533 4.897 -7.814 1.00 0.00 H new ATOM 0 HA ILE A 32 1.295 2.803 -7.634 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.701 2.620 -8.160 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.503 4.083 -6.320 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.855 2.508 -5.639 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.528 0.506 -6.900 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.517 0.486 -8.365 1.00 0.00 H new ATOM 0 HG23 ILE A 32 0.232 0.734 -6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -0.135 3.659 -4.341 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.531 2.193 -5.098 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.889 3.793 -5.790 1.00 0.00 H new ATOM 390 N ARG A 33 -0.476 2.790 -10.447 1.00 0.00 N ATOM 391 CA ARG A 33 -0.485 2.320 -11.825 1.00 0.00 C ATOM 392 C ARG A 33 0.819 2.680 -12.526 1.00 0.00 C ATOM 393 O ARG A 33 1.292 1.949 -13.396 1.00 0.00 O ATOM 394 CB ARG A 33 -1.675 2.919 -12.574 1.00 0.00 C ATOM 395 CG ARG A 33 -1.585 4.425 -12.760 1.00 0.00 C ATOM 396 CD ARG A 33 -0.811 4.785 -14.019 1.00 0.00 C ATOM 397 NE ARG A 33 -1.408 5.916 -14.725 1.00 0.00 N ATOM 398 CZ ARG A 33 -2.471 5.815 -15.520 1.00 0.00 C ATOM 399 NH1 ARG A 33 -3.057 4.641 -15.712 1.00 0.00 N ATOM 400 NH2 ARG A 33 -2.951 6.894 -16.124 1.00 0.00 N ATOM 0 H ARG A 33 -1.292 3.343 -10.186 1.00 0.00 H new ATOM 0 HA ARG A 33 -0.580 1.234 -11.821 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.753 2.445 -13.552 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.591 2.683 -12.032 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.589 4.847 -12.815 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -1.099 4.872 -11.893 1.00 0.00 H new ATOM 0 HD2 ARG A 33 0.219 5.025 -13.755 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -0.776 3.921 -14.683 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.986 6.836 -14.602 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.694 3.808 -15.249 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.871 4.571 -16.322 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -2.506 7.800 -15.979 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.765 6.818 -16.733 1.00 0.00 H new ATOM 414 N GLN A 34 1.400 3.810 -12.130 1.00 0.00 N ATOM 415 CA GLN A 34 2.656 4.270 -12.706 1.00 0.00 C ATOM 416 C GLN A 34 3.831 3.485 -12.133 1.00 0.00 C ATOM 417 O GLN A 34 4.885 3.376 -12.761 1.00 0.00 O ATOM 418 CB GLN A 34 2.844 5.763 -12.429 1.00 0.00 C ATOM 419 CG GLN A 34 2.313 6.662 -13.533 1.00 0.00 C ATOM 420 CD GLN A 34 3.406 7.474 -14.200 1.00 0.00 C ATOM 421 OE1 GLN A 34 4.451 6.795 -14.660 1.00 0.00 O flip ATOM 422 NE2 GLN A 34 3.312 8.698 -14.302 1.00 0.00 N flip ATOM 0 H GLN A 34 1.018 4.424 -11.410 1.00 0.00 H new ATOM 0 HA GLN A 34 2.621 4.106 -13.783 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.343 6.016 -11.495 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.905 5.966 -12.287 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.810 6.052 -14.283 1.00 0.00 H new ATOM 0 HG3 GLN A 34 1.565 7.338 -13.118 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.491 9.179 -13.934 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.055 9.231 -14.754 1.00 0.00 H new ATOM 431 N LEU A 35 3.642 2.945 -10.932 1.00 0.00 N ATOM 432 CA LEU A 35 4.680 2.178 -10.263 1.00 0.00 C ATOM 433 C LEU A 35 4.738 0.743 -10.787 1.00 0.00 C ATOM 434 O LEU A 35 5.798 0.117 -10.793 1.00 0.00 O ATOM 435 CB LEU A 35 4.429 2.162 -8.755 1.00 0.00 C ATOM 436 CG LEU A 35 4.858 3.428 -8.012 1.00 0.00 C ATOM 437 CD1 LEU A 35 4.622 3.275 -6.517 1.00 0.00 C ATOM 438 CD2 LEU A 35 6.316 3.742 -8.296 1.00 0.00 C ATOM 0 H LEU A 35 2.774 3.027 -10.403 1.00 0.00 H new ATOM 0 HA LEU A 35 5.636 2.658 -10.472 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.365 2.000 -8.581 1.00 0.00 H new ATOM 0 HB3 LEU A 35 4.955 1.310 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 35 4.252 4.261 -8.370 1.00 0.00 H new ATOM 0 HD11 LEU A 35 4.933 4.185 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 35 3.562 3.098 -6.332 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.201 2.431 -6.142 1.00 0.00 H new ATOM 0 HD21 LEU A 35 6.605 4.646 -7.760 1.00 0.00 H new ATOM 0 HD22 LEU A 35 6.938 2.910 -7.966 1.00 0.00 H new ATOM 0 HD23 LEU A 35 6.453 3.896 -9.366 1.00 0.00 H new ATOM 450 N GLU A 36 3.591 0.227 -11.215 1.00 0.00 N ATOM 451 CA GLU A 36 3.508 -1.137 -11.726 1.00 0.00 C ATOM 452 C GLU A 36 3.985 -1.224 -13.172 1.00 0.00 C ATOM 453 O GLU A 36 4.640 -2.191 -13.562 1.00 0.00 O ATOM 454 CB GLU A 36 2.075 -1.660 -11.617 1.00 0.00 C ATOM 455 CG GLU A 36 1.028 -0.671 -12.104 1.00 0.00 C ATOM 456 CD GLU A 36 -0.333 -1.309 -12.297 1.00 0.00 C ATOM 457 OE1 GLU A 36 -0.987 -1.631 -11.283 1.00 0.00 O ATOM 458 OE2 GLU A 36 -0.747 -1.486 -13.462 1.00 0.00 O ATOM 0 H GLU A 36 2.705 0.733 -11.218 1.00 0.00 H new ATOM 0 HA GLU A 36 4.165 -1.757 -11.116 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.988 -2.581 -12.193 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.868 -1.914 -10.577 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.944 0.145 -11.387 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.357 -0.234 -13.047 1.00 0.00 H new ATOM 465 N GLN A 37 3.647 -0.215 -13.965 1.00 0.00 N ATOM 466 CA GLN A 37 4.034 -0.186 -15.366 1.00 0.00 C ATOM 467 C GLN A 37 5.547 -0.041 -15.521 1.00 0.00 C ATOM 468 O GLN A 37 6.146 -0.628 -16.422 1.00 0.00 O ATOM 469 CB GLN A 37 3.328 0.969 -16.071 1.00 0.00 C ATOM 470 CG GLN A 37 3.592 2.320 -15.430 1.00 0.00 C ATOM 471 CD GLN A 37 3.170 3.477 -16.313 1.00 0.00 C ATOM 472 OE1 GLN A 37 2.082 3.470 -16.888 1.00 0.00 O ATOM 473 NE2 GLN A 37 4.032 4.482 -16.425 1.00 0.00 N ATOM 0 H GLN A 37 3.105 0.594 -13.660 1.00 0.00 H new ATOM 0 HA GLN A 37 3.737 -1.131 -15.821 1.00 0.00 H new ATOM 0 HB2 GLN A 37 3.650 1.000 -17.112 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.254 0.781 -16.075 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.058 2.378 -14.481 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.655 2.409 -15.204 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.923 4.447 -15.931 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.802 5.289 -17.005 1.00 0.00 H new ATOM 555 N LEU A 42 5.931 -5.332 -11.140 1.00 0.00 N ATOM 556 CA LEU A 42 5.210 -5.191 -9.881 1.00 0.00 C ATOM 557 C LEU A 42 3.720 -5.465 -10.064 1.00 0.00 C ATOM 558 O LEU A 42 3.084 -4.923 -10.968 1.00 0.00 O ATOM 559 CB LEU A 42 5.420 -3.786 -9.315 1.00 0.00 C ATOM 560 CG LEU A 42 4.723 -3.509 -7.983 1.00 0.00 C ATOM 561 CD1 LEU A 42 5.657 -3.810 -6.820 1.00 0.00 C ATOM 562 CD2 LEU A 42 4.241 -2.065 -7.924 1.00 0.00 C ATOM 0 HA LEU A 42 5.604 -5.926 -9.179 1.00 0.00 H new ATOM 0 HB2 LEU A 42 6.490 -3.619 -9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.069 -3.060 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 42 3.855 -4.164 -7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 42 5.144 -3.607 -5.880 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.953 -4.859 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.544 -3.180 -6.893 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.747 -1.885 -6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.093 -1.393 -8.024 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.537 -1.883 -8.736 1.00 0.00 H new ATOM 574 N LYS A 43 3.172 -6.312 -9.199 1.00 0.00 N ATOM 575 CA LYS A 43 1.759 -6.667 -9.257 1.00 0.00 C ATOM 576 C LYS A 43 1.032 -6.197 -8.000 1.00 0.00 C ATOM 577 O LYS A 43 1.032 -6.880 -6.976 1.00 0.00 O ATOM 578 CB LYS A 43 1.602 -8.180 -9.417 1.00 0.00 C ATOM 579 CG LYS A 43 2.532 -8.782 -10.459 1.00 0.00 C ATOM 580 CD LYS A 43 2.115 -8.393 -11.872 1.00 0.00 C ATOM 581 CE LYS A 43 3.188 -7.571 -12.569 1.00 0.00 C ATOM 582 NZ LYS A 43 3.927 -8.369 -13.587 1.00 0.00 N ATOM 0 H LYS A 43 3.688 -6.767 -8.446 1.00 0.00 H new ATOM 0 HA LYS A 43 1.316 -6.169 -10.119 1.00 0.00 H new ATOM 0 HB2 LYS A 43 1.788 -8.660 -8.456 1.00 0.00 H new ATOM 0 HB3 LYS A 43 0.571 -8.403 -9.691 1.00 0.00 H new ATOM 0 HG2 LYS A 43 3.552 -8.446 -10.274 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.532 -9.868 -10.364 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.912 -9.293 -12.452 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.187 -7.822 -11.833 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.728 -6.707 -13.049 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.890 -7.188 -11.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.649 -7.772 -14.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 4.387 -9.180 -13.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.262 -8.713 -14.308 1.00 0.00 H new ATOM 596 N LEU A 44 0.409 -5.025 -8.087 1.00 0.00 N ATOM 597 CA LEU A 44 -0.322 -4.465 -6.958 1.00 0.00 C ATOM 598 C LEU A 44 -1.820 -4.710 -7.109 1.00 0.00 C ATOM 599 O LEU A 44 -2.302 -5.003 -8.201 1.00 0.00 O ATOM 600 CB LEU A 44 -0.042 -2.965 -6.831 1.00 0.00 C ATOM 601 CG LEU A 44 1.135 -2.609 -5.925 1.00 0.00 C ATOM 602 CD1 LEU A 44 1.689 -1.239 -6.277 1.00 0.00 C ATOM 603 CD2 LEU A 44 0.712 -2.646 -4.469 1.00 0.00 C ATOM 0 H LEU A 44 0.397 -4.447 -8.927 1.00 0.00 H new ATOM 0 HA LEU A 44 0.019 -4.964 -6.051 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.147 -2.559 -7.825 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.937 -2.473 -6.451 1.00 0.00 H new ATOM 0 HG LEU A 44 1.921 -3.348 -6.080 1.00 0.00 H new ATOM 0 HD11 LEU A 44 2.526 -1.005 -5.620 1.00 0.00 H new ATOM 0 HD12 LEU A 44 2.030 -1.239 -7.312 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.909 -0.488 -6.152 1.00 0.00 H new ATOM 0 HD21 LEU A 44 1.562 -2.390 -3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.091 -1.928 -4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 44 0.361 -3.647 -4.217 1.00 0.00 H new ATOM 615 N CYS A 45 -2.550 -4.598 -6.003 1.00 0.00 N ATOM 616 CA CYS A 45 -3.992 -4.817 -6.018 1.00 0.00 C ATOM 617 C CYS A 45 -4.728 -3.710 -5.269 1.00 0.00 C ATOM 618 O CYS A 45 -4.111 -2.889 -4.593 1.00 0.00 O ATOM 619 CB CYS A 45 -4.322 -6.173 -5.395 1.00 0.00 C ATOM 620 SG CYS A 45 -3.520 -7.584 -6.223 1.00 0.00 S ATOM 0 H CYS A 45 -2.168 -4.358 -5.088 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.324 -4.804 -7.056 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -4.023 -6.162 -4.347 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -5.402 -6.318 -5.417 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.153 -8.458 -5.333 1.00 0.00 H new ATOM 625 N VAL A 46 -6.052 -3.700 -5.391 1.00 0.00 N ATOM 626 CA VAL A 46 -6.874 -2.700 -4.720 1.00 0.00 C ATOM 627 C VAL A 46 -8.148 -3.326 -4.157 1.00 0.00 C ATOM 628 O VAL A 46 -8.339 -4.540 -4.236 1.00 0.00 O ATOM 629 CB VAL A 46 -7.249 -1.544 -5.673 1.00 0.00 C ATOM 630 CG1 VAL A 46 -5.997 -0.847 -6.182 1.00 0.00 C ATOM 631 CG2 VAL A 46 -8.092 -2.052 -6.834 1.00 0.00 C ATOM 0 H VAL A 46 -6.578 -4.373 -5.948 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.280 -2.298 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.843 -0.820 -5.116 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.280 -0.035 -6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.437 -0.443 -5.339 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.376 -1.563 -6.721 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.344 -1.220 -7.492 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.529 -2.799 -7.393 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.008 -2.501 -6.450 1.00 0.00 H new ATOM 641 N SER A 47 -9.017 -2.493 -3.593 1.00 0.00 N ATOM 642 CA SER A 47 -10.270 -2.971 -3.020 1.00 0.00 C ATOM 643 C SER A 47 -11.354 -3.064 -4.091 1.00 0.00 C ATOM 644 O SER A 47 -11.163 -2.618 -5.222 1.00 0.00 O ATOM 645 CB SER A 47 -10.727 -2.044 -1.893 1.00 0.00 C ATOM 646 OG SER A 47 -11.172 -2.786 -0.770 1.00 0.00 O ATOM 0 H SER A 47 -8.877 -1.485 -3.521 1.00 0.00 H new ATOM 0 HA SER A 47 -10.099 -3.967 -2.612 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.905 -1.391 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 47 -11.532 -1.402 -2.250 1.00 0.00 H new ATOM 0 HG SER A 47 -11.457 -2.170 -0.063 1.00 0.00 H new ATOM 781 N VAL A 57 -7.463 -1.389 -14.536 1.00 0.00 N ATOM 782 CA VAL A 57 -6.765 -1.254 -13.263 1.00 0.00 C ATOM 783 C VAL A 57 -6.603 -2.604 -12.574 1.00 0.00 C ATOM 784 O VAL A 57 -7.445 -3.492 -12.719 1.00 0.00 O ATOM 785 CB VAL A 57 -7.508 -0.295 -12.314 1.00 0.00 C ATOM 786 CG1 VAL A 57 -7.313 1.149 -12.753 1.00 0.00 C ATOM 787 CG2 VAL A 57 -8.986 -0.647 -12.251 1.00 0.00 C ATOM 0 HA VAL A 57 -5.780 -0.844 -13.488 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.089 -0.405 -11.314 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.845 1.812 -12.071 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -6.251 1.393 -12.741 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.703 1.278 -13.762 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -9.495 0.041 -11.576 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -9.422 -0.567 -13.247 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -9.102 -1.667 -11.885 1.00 0.00 H new ATOM 797 N TRP A 58 -5.518 -2.750 -11.824 1.00 0.00 N ATOM 798 CA TRP A 58 -5.239 -3.985 -11.107 1.00 0.00 C ATOM 799 C TRP A 58 -6.019 -4.036 -9.797 1.00 0.00 C ATOM 800 O TRP A 58 -5.808 -3.213 -8.906 1.00 0.00 O ATOM 801 CB TRP A 58 -3.737 -4.096 -10.834 1.00 0.00 C ATOM 802 CG TRP A 58 -3.140 -5.375 -11.331 1.00 0.00 C ATOM 803 CD1 TRP A 58 -3.563 -6.635 -11.038 1.00 0.00 C ATOM 804 CD2 TRP A 58 -2.017 -5.519 -12.206 1.00 0.00 C ATOM 805 NE1 TRP A 58 -2.768 -7.559 -11.672 1.00 0.00 N ATOM 806 CE2 TRP A 58 -1.813 -6.899 -12.396 1.00 0.00 C ATOM 807 CE3 TRP A 58 -1.162 -4.617 -12.846 1.00 0.00 C ATOM 808 CZ2 TRP A 58 -0.790 -7.396 -13.200 1.00 0.00 C ATOM 809 CZ3 TRP A 58 -0.147 -5.112 -13.645 1.00 0.00 C ATOM 810 CH2 TRP A 58 0.030 -6.491 -13.815 1.00 0.00 C ATOM 0 H TRP A 58 -4.814 -2.023 -11.697 1.00 0.00 H new ATOM 0 HA TRP A 58 -5.554 -4.827 -11.724 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.226 -3.257 -11.305 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.562 -4.014 -9.761 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.401 -6.874 -10.400 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.873 -8.572 -11.613 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.292 -3.552 -12.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.649 -8.459 -13.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 0.519 -4.425 -14.145 1.00 0.00 H new ATOM 0 HH2 TRP A 58 0.831 -6.847 -14.445 1.00 0.00 H new ATOM 821 N SER A 59 -6.924 -5.004 -9.687 1.00 0.00 N ATOM 822 CA SER A 59 -7.739 -5.156 -8.487 1.00 0.00 C ATOM 823 C SER A 59 -7.734 -6.602 -7.999 1.00 0.00 C ATOM 824 O SER A 59 -7.315 -7.509 -8.718 1.00 0.00 O ATOM 825 CB SER A 59 -9.174 -4.705 -8.759 1.00 0.00 C ATOM 826 OG SER A 59 -9.549 -4.975 -10.100 1.00 0.00 O ATOM 0 H SER A 59 -7.111 -5.694 -10.414 1.00 0.00 H new ATOM 0 HA SER A 59 -7.308 -4.528 -7.707 1.00 0.00 H new ATOM 0 HB2 SER A 59 -9.854 -5.216 -8.078 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.267 -3.637 -8.560 1.00 0.00 H new ATOM 0 HG SER A 59 -10.471 -4.679 -10.248 1.00 0.00 H new ATOM 832 N ILE A 60 -8.205 -6.809 -6.774 1.00 0.00 N ATOM 833 CA ILE A 60 -8.257 -8.144 -6.189 1.00 0.00 C ATOM 834 C ILE A 60 -9.246 -8.199 -5.029 1.00 0.00 C ATOM 835 O ILE A 60 -9.489 -7.196 -4.359 1.00 0.00 O ATOM 836 CB ILE A 60 -6.864 -8.595 -5.690 1.00 0.00 C ATOM 837 CG1 ILE A 60 -6.738 -10.121 -5.778 1.00 0.00 C ATOM 838 CG2 ILE A 60 -6.615 -8.112 -4.264 1.00 0.00 C ATOM 839 CD1 ILE A 60 -5.679 -10.701 -4.861 1.00 0.00 C ATOM 0 H ILE A 60 -8.556 -6.069 -6.167 1.00 0.00 H new ATOM 0 HA ILE A 60 -8.589 -8.822 -6.975 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.105 -8.147 -6.332 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -7.701 -10.570 -5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -6.507 -10.399 -6.806 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.629 -8.441 -3.935 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.662 -7.023 -4.235 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.375 -8.526 -3.602 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.649 -11.784 -4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.706 -10.281 -5.117 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -5.919 -10.455 -3.827 1.00 0.00 H new ATOM 851 N ALA A 61 -9.803 -9.382 -4.785 1.00 0.00 N ATOM 852 CA ALA A 61 -10.745 -9.562 -3.691 1.00 0.00 C ATOM 853 C ALA A 61 -10.053 -9.320 -2.354 1.00 0.00 C ATOM 854 O ALA A 61 -8.889 -9.680 -2.178 1.00 0.00 O ATOM 855 CB ALA A 61 -11.354 -10.956 -3.742 1.00 0.00 C ATOM 0 H ALA A 61 -9.618 -10.225 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 61 -11.550 -8.835 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -12.057 -11.076 -2.918 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -11.878 -11.090 -4.688 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -10.564 -11.702 -3.657 1.00 0.00 H new ATOM 861 N SER A 62 -10.766 -8.700 -1.422 1.00 0.00 N ATOM 862 CA SER A 62 -10.206 -8.400 -0.108 1.00 0.00 C ATOM 863 C SER A 62 -9.924 -9.669 0.695 1.00 0.00 C ATOM 864 O SER A 62 -9.269 -9.617 1.737 1.00 0.00 O ATOM 865 CB SER A 62 -11.156 -7.490 0.675 1.00 0.00 C ATOM 866 OG SER A 62 -10.436 -6.530 1.429 1.00 0.00 O ATOM 0 H SER A 62 -11.731 -8.395 -1.550 1.00 0.00 H new ATOM 0 HA SER A 62 -9.257 -7.888 -0.266 1.00 0.00 H new ATOM 0 HB2 SER A 62 -11.831 -6.984 -0.015 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.774 -8.092 1.341 1.00 0.00 H new ATOM 0 HG SER A 62 -11.065 -5.960 1.919 1.00 0.00 H new ATOM 872 N GLU A 63 -10.420 -10.806 0.216 1.00 0.00 N ATOM 873 CA GLU A 63 -10.213 -12.074 0.905 1.00 0.00 C ATOM 874 C GLU A 63 -8.915 -12.748 0.457 1.00 0.00 C ATOM 875 O GLU A 63 -8.410 -13.643 1.135 1.00 0.00 O ATOM 876 CB GLU A 63 -11.398 -13.011 0.661 1.00 0.00 C ATOM 877 CG GLU A 63 -11.818 -13.093 -0.798 1.00 0.00 C ATOM 878 CD GLU A 63 -12.339 -14.464 -1.178 1.00 0.00 C ATOM 879 OE1 GLU A 63 -11.561 -15.437 -1.105 1.00 0.00 O ATOM 880 OE2 GLU A 63 -13.528 -14.565 -1.547 1.00 0.00 O ATOM 0 H GLU A 63 -10.966 -10.875 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.135 -11.863 1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.139 -14.010 1.013 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.246 -12.673 1.256 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.590 -12.348 -0.992 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.967 -12.843 -1.432 1.00 0.00 H new ATOM 887 N LEU A 64 -8.384 -12.321 -0.686 1.00 0.00 N ATOM 888 CA LEU A 64 -7.154 -12.893 -1.213 1.00 0.00 C ATOM 889 C LEU A 64 -5.934 -12.047 -0.845 1.00 0.00 C ATOM 890 O LEU A 64 -4.818 -12.345 -1.270 1.00 0.00 O ATOM 891 CB LEU A 64 -7.237 -13.039 -2.736 1.00 0.00 C ATOM 892 CG LEU A 64 -8.638 -12.921 -3.337 1.00 0.00 C ATOM 893 CD1 LEU A 64 -8.561 -12.825 -4.854 1.00 0.00 C ATOM 894 CD2 LEU A 64 -9.494 -14.106 -2.924 1.00 0.00 C ATOM 0 H LEU A 64 -8.787 -11.582 -1.262 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.036 -13.878 -0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.601 -12.279 -3.191 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.823 -14.009 -3.013 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.101 -12.010 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.567 -12.742 -5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -7.981 -11.946 -5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.080 -13.719 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -10.488 -14.006 -3.360 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.033 -15.028 -3.278 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.576 -14.135 -1.837 1.00 0.00 H new ATOM 906 N ILE A 65 -6.147 -10.995 -0.060 1.00 0.00 N ATOM 907 CA ILE A 65 -5.052 -10.122 0.345 1.00 0.00 C ATOM 908 C ILE A 65 -4.136 -10.814 1.349 1.00 0.00 C ATOM 909 O ILE A 65 -2.944 -10.991 1.096 1.00 0.00 O ATOM 910 CB ILE A 65 -5.574 -8.811 0.966 1.00 0.00 C ATOM 911 CG1 ILE A 65 -6.635 -8.180 0.064 1.00 0.00 C ATOM 912 CG2 ILE A 65 -4.424 -7.843 1.200 1.00 0.00 C ATOM 913 CD1 ILE A 65 -7.164 -6.860 0.583 1.00 0.00 C ATOM 0 H ILE A 65 -7.061 -10.728 0.306 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.488 -9.889 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 65 -6.033 -9.039 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.212 -8.027 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -7.466 -8.876 -0.047 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.807 -6.922 1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.701 -8.295 1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.939 -7.618 0.250 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.912 -6.471 -0.108 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -7.617 -7.010 1.563 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.344 -6.147 0.668 1.00 0.00 H new ATOM 925 N GLU A 66 -4.698 -11.200 2.488 1.00 0.00 N ATOM 926 CA GLU A 66 -3.937 -11.867 3.532 1.00 0.00 C ATOM 927 C GLU A 66 -3.390 -13.212 3.058 1.00 0.00 C ATOM 928 O GLU A 66 -2.495 -13.780 3.685 1.00 0.00 O ATOM 929 CB GLU A 66 -4.815 -12.066 4.765 1.00 0.00 C ATOM 930 CG GLU A 66 -6.128 -12.775 4.470 1.00 0.00 C ATOM 931 CD GLU A 66 -7.305 -12.147 5.190 1.00 0.00 C ATOM 932 OE1 GLU A 66 -7.658 -10.995 4.860 1.00 0.00 O ATOM 933 OE2 GLU A 66 -7.874 -12.809 6.084 1.00 0.00 O ATOM 0 H GLU A 66 -5.684 -11.061 2.711 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.087 -11.233 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.260 -12.641 5.507 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.029 -11.094 5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -6.313 -12.757 3.396 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.045 -13.822 4.762 1.00 0.00 H new ATOM 940 N LYS A 67 -3.935 -13.725 1.958 1.00 0.00 N ATOM 941 CA LYS A 67 -3.497 -15.009 1.420 1.00 0.00 C ATOM 942 C LYS A 67 -2.544 -14.824 0.241 1.00 0.00 C ATOM 943 O LYS A 67 -1.421 -15.327 0.255 1.00 0.00 O ATOM 944 CB LYS A 67 -4.705 -15.840 0.985 1.00 0.00 C ATOM 945 CG LYS A 67 -5.812 -15.893 2.026 1.00 0.00 C ATOM 946 CD LYS A 67 -6.068 -17.314 2.503 1.00 0.00 C ATOM 947 CE LYS A 67 -7.323 -17.898 1.870 1.00 0.00 C ATOM 948 NZ LYS A 67 -7.810 -19.100 2.603 1.00 0.00 N ATOM 0 H LYS A 67 -4.677 -13.273 1.424 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.961 -15.535 2.210 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.107 -15.426 0.060 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.377 -16.855 0.764 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -5.542 -15.267 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -6.728 -15.480 1.604 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -5.211 -17.941 2.258 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.169 -17.322 3.588 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -8.107 -17.141 1.854 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.116 -18.165 0.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -8.666 -19.466 2.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.072 -19.833 2.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -8.032 -18.841 3.585 1.00 0.00 H new ATOM 962 N ARG A 68 -3.002 -14.107 -0.780 1.00 0.00 N ATOM 963 CA ARG A 68 -2.191 -13.866 -1.970 1.00 0.00 C ATOM 964 C ARG A 68 -1.219 -12.710 -1.758 1.00 0.00 C ATOM 965 O ARG A 68 -0.003 -12.898 -1.786 1.00 0.00 O ATOM 966 CB ARG A 68 -3.089 -13.576 -3.174 1.00 0.00 C ATOM 967 CG ARG A 68 -4.217 -14.580 -3.344 1.00 0.00 C ATOM 968 CD ARG A 68 -4.883 -14.446 -4.704 1.00 0.00 C ATOM 969 NE ARG A 68 -5.462 -15.707 -5.156 1.00 0.00 N ATOM 970 CZ ARG A 68 -6.378 -15.800 -6.118 1.00 0.00 C ATOM 971 NH1 ARG A 68 -6.820 -14.709 -6.731 1.00 0.00 N ATOM 972 NH2 ARG A 68 -6.854 -16.988 -6.468 1.00 0.00 N ATOM 0 H ARG A 68 -3.929 -13.683 -0.808 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.609 -14.767 -2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -3.514 -12.578 -3.068 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.480 -13.569 -4.078 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.826 -15.591 -3.227 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.958 -14.432 -2.559 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.663 -13.687 -4.652 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.151 -14.101 -5.434 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.146 -16.568 -4.709 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.458 -13.793 -6.466 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.522 -14.787 -7.467 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.518 -17.830 -6.000 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -7.556 -17.059 -7.205 1.00 0.00 H new ATOM 986 N CYS A 69 -1.759 -11.513 -1.552 1.00 0.00 N ATOM 987 CA CYS A 69 -0.932 -10.328 -1.341 1.00 0.00 C ATOM 988 C CYS A 69 0.028 -10.530 -0.173 1.00 0.00 C ATOM 989 O CYS A 69 -0.385 -10.907 0.925 1.00 0.00 O ATOM 990 CB CYS A 69 -1.813 -9.104 -1.089 1.00 0.00 C ATOM 991 SG CYS A 69 -2.962 -8.733 -2.436 1.00 0.00 S ATOM 0 H CYS A 69 -2.763 -11.337 -1.527 1.00 0.00 H new ATOM 0 HA CYS A 69 -0.343 -10.163 -2.243 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -2.382 -9.262 -0.173 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -1.174 -8.237 -0.922 1.00 0.00 H new ATOM 0 HG CYS A 69 -2.292 -8.378 -3.492 1.00 0.00 H new ATOM 997 N ARG A 70 1.310 -10.279 -0.419 1.00 0.00 N ATOM 998 CA ARG A 70 2.329 -10.436 0.610 1.00 0.00 C ATOM 999 C ARG A 70 2.563 -9.122 1.350 1.00 0.00 C ATOM 1000 O ARG A 70 2.570 -9.086 2.581 1.00 0.00 O ATOM 1001 CB ARG A 70 3.640 -10.928 -0.011 1.00 0.00 C ATOM 1002 CG ARG A 70 4.125 -12.248 0.563 1.00 0.00 C ATOM 1003 CD ARG A 70 5.643 -12.295 0.646 1.00 0.00 C ATOM 1004 NE ARG A 70 6.149 -13.666 0.669 1.00 0.00 N ATOM 1005 CZ ARG A 70 6.051 -14.508 -0.356 1.00 0.00 C ATOM 1006 NH1 ARG A 70 5.467 -14.126 -1.486 1.00 0.00 N ATOM 1007 NH2 ARG A 70 6.538 -15.738 -0.252 1.00 0.00 N ATOM 0 H ARG A 70 1.667 -9.966 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 70 1.975 -11.177 1.327 1.00 0.00 H new ATOM 0 HB2 ARG A 70 3.505 -11.037 -1.087 1.00 0.00 H new ATOM 0 HB3 ARG A 70 4.410 -10.171 0.138 1.00 0.00 H new ATOM 0 HG2 ARG A 70 3.701 -12.392 1.557 1.00 0.00 H new ATOM 0 HG3 ARG A 70 3.768 -13.069 -0.058 1.00 0.00 H new ATOM 0 HD2 ARG A 70 6.069 -11.766 -0.206 1.00 0.00 H new ATOM 0 HD3 ARG A 70 5.973 -11.772 1.543 1.00 0.00 H new ATOM 0 HE ARG A 70 6.604 -13.996 1.520 1.00 0.00 H new ATOM 0 HH11 ARG A 70 5.090 -13.182 -1.572 1.00 0.00 H new ATOM 0 HH12 ARG A 70 5.395 -14.777 -2.268 1.00 0.00 H new ATOM 0 HH21 ARG A 70 6.987 -16.037 0.614 1.00 0.00 H new ATOM 0 HH22 ARG A 70 6.463 -16.384 -1.038 1.00 0.00 H new ATOM 1021 N ARG A 71 2.754 -8.046 0.594 1.00 0.00 N ATOM 1022 CA ARG A 71 2.986 -6.733 1.186 1.00 0.00 C ATOM 1023 C ARG A 71 1.768 -5.830 1.008 1.00 0.00 C ATOM 1024 O ARG A 71 0.910 -6.080 0.163 1.00 0.00 O ATOM 1025 CB ARG A 71 4.227 -6.070 0.576 1.00 0.00 C ATOM 1026 CG ARG A 71 4.440 -6.392 -0.896 1.00 0.00 C ATOM 1027 CD ARG A 71 5.366 -7.582 -1.078 1.00 0.00 C ATOM 1028 NE ARG A 71 6.730 -7.285 -0.650 1.00 0.00 N ATOM 1029 CZ ARG A 71 7.796 -7.989 -1.024 1.00 0.00 C ATOM 1030 NH1 ARG A 71 7.660 -9.034 -1.831 1.00 0.00 N ATOM 1031 NH2 ARG A 71 9.002 -7.651 -0.589 1.00 0.00 N ATOM 0 H ARG A 71 2.753 -8.057 -0.426 1.00 0.00 H new ATOM 0 HA ARG A 71 3.157 -6.877 2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 71 4.143 -4.989 0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.107 -6.384 1.137 1.00 0.00 H new ATOM 0 HG2 ARG A 71 3.479 -6.602 -1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.859 -5.523 -1.403 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.984 -8.429 -0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.372 -7.880 -2.127 1.00 0.00 H new ATOM 0 HE ARG A 71 6.875 -6.490 -0.027 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.735 -9.301 -2.168 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.480 -9.570 -2.114 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.114 -6.851 0.033 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.818 -8.191 -0.876 1.00 0.00 H new ATOM 1045 N MET A 72 1.696 -4.782 1.822 1.00 0.00 N ATOM 1046 CA MET A 72 0.583 -3.845 1.768 1.00 0.00 C ATOM 1047 C MET A 72 1.086 -2.408 1.657 1.00 0.00 C ATOM 1048 O MET A 72 2.148 -2.067 2.175 1.00 0.00 O ATOM 1049 CB MET A 72 -0.290 -4.004 3.015 1.00 0.00 C ATOM 1050 CG MET A 72 -1.431 -3.001 3.102 1.00 0.00 C ATOM 1051 SD MET A 72 -2.802 -3.413 2.006 1.00 0.00 S ATOM 1052 CE MET A 72 -3.247 -5.036 2.617 1.00 0.00 C ATOM 0 H MET A 72 2.398 -4.561 2.528 1.00 0.00 H new ATOM 0 HA MET A 72 -0.012 -4.065 0.882 1.00 0.00 H new ATOM 0 HB2 MET A 72 -0.704 -5.012 3.030 1.00 0.00 H new ATOM 0 HB3 MET A 72 0.337 -3.903 3.901 1.00 0.00 H new ATOM 0 HG2 MET A 72 -1.793 -2.956 4.129 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.057 -2.008 2.852 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.330 -5.155 2.578 1.00 0.00 H new ATOM 0 HE2 MET A 72 -2.775 -5.800 1.999 1.00 0.00 H new ATOM 0 HE3 MET A 72 -2.907 -5.143 3.647 1.00 0.00 H new ATOM 1062 N VAL A 73 0.305 -1.568 0.985 1.00 0.00 N ATOM 1063 CA VAL A 73 0.659 -0.166 0.813 1.00 0.00 C ATOM 1064 C VAL A 73 -0.490 0.721 1.273 1.00 0.00 C ATOM 1065 O VAL A 73 -1.440 0.961 0.528 1.00 0.00 O ATOM 1066 CB VAL A 73 1.004 0.150 -0.656 1.00 0.00 C ATOM 1067 CG1 VAL A 73 1.379 1.618 -0.821 1.00 0.00 C ATOM 1068 CG2 VAL A 73 2.130 -0.753 -1.142 1.00 0.00 C ATOM 0 H VAL A 73 -0.578 -1.836 0.551 1.00 0.00 H new ATOM 0 HA VAL A 73 1.542 0.034 1.420 1.00 0.00 H new ATOM 0 HB VAL A 73 0.121 -0.042 -1.265 1.00 0.00 H new ATOM 0 HG11 VAL A 73 1.618 1.817 -1.866 1.00 0.00 H new ATOM 0 HG12 VAL A 73 0.541 2.244 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.246 1.844 -0.201 1.00 0.00 H new ATOM 0 HG21 VAL A 73 2.362 -0.518 -2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 73 3.016 -0.593 -0.527 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.819 -1.795 -1.067 1.00 0.00 H new ATOM 1078 N VAL A 74 -0.407 1.188 2.513 1.00 0.00 N ATOM 1079 CA VAL A 74 -1.447 2.029 3.081 1.00 0.00 C ATOM 1080 C VAL A 74 -1.169 3.507 2.845 1.00 0.00 C ATOM 1081 O VAL A 74 -0.018 3.927 2.723 1.00 0.00 O ATOM 1082 CB VAL A 74 -1.607 1.786 4.594 1.00 0.00 C ATOM 1083 CG1 VAL A 74 -2.487 0.573 4.850 1.00 0.00 C ATOM 1084 CG2 VAL A 74 -0.253 1.625 5.270 1.00 0.00 C ATOM 0 H VAL A 74 0.372 0.997 3.143 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.372 1.756 2.573 1.00 0.00 H new ATOM 0 HB VAL A 74 -2.093 2.660 5.027 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.588 0.417 5.924 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.472 0.739 4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.033 -0.308 4.397 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.397 1.455 6.337 1.00 0.00 H new ATOM 0 HG22 VAL A 74 0.272 0.775 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 74 0.337 2.530 5.123 1.00 0.00 H new ATOM 1094 N VAL A 75 -2.240 4.289 2.790 1.00 0.00 N ATOM 1095 CA VAL A 75 -2.136 5.724 2.578 1.00 0.00 C ATOM 1096 C VAL A 75 -2.659 6.478 3.799 1.00 0.00 C ATOM 1097 O VAL A 75 -3.862 6.488 4.064 1.00 0.00 O ATOM 1098 CB VAL A 75 -2.917 6.156 1.317 1.00 0.00 C ATOM 1099 CG1 VAL A 75 -2.969 7.673 1.196 1.00 0.00 C ATOM 1100 CG2 VAL A 75 -2.295 5.541 0.073 1.00 0.00 C ATOM 0 H VAL A 75 -3.196 3.949 2.890 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.084 5.968 2.430 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.940 5.793 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -3.525 7.948 0.299 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -3.464 8.091 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.955 8.068 1.130 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -2.856 5.854 -0.807 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -1.261 5.873 -0.019 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -2.322 4.454 0.152 1.00 0.00 H new ATOM 1110 N VAL A 76 -1.749 7.090 4.551 1.00 0.00 N ATOM 1111 CA VAL A 76 -2.126 7.824 5.755 1.00 0.00 C ATOM 1112 C VAL A 76 -2.111 9.335 5.537 1.00 0.00 C ATOM 1113 O VAL A 76 -1.105 10.003 5.779 1.00 0.00 O ATOM 1114 CB VAL A 76 -1.200 7.475 6.939 1.00 0.00 C ATOM 1115 CG1 VAL A 76 0.237 7.876 6.640 1.00 0.00 C ATOM 1116 CG2 VAL A 76 -1.691 8.137 8.218 1.00 0.00 C ATOM 0 H VAL A 76 -0.749 7.093 4.349 1.00 0.00 H new ATOM 0 HA VAL A 76 -3.145 7.518 5.990 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.225 6.395 7.083 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.870 7.620 7.489 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.586 7.346 5.754 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.285 8.950 6.462 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -1.024 7.878 9.041 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -1.702 9.219 8.087 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.699 7.789 8.444 1.00 0.00 H new ATOM 1126 N SER A 77 -3.241 9.871 5.095 1.00 0.00 N ATOM 1127 CA SER A 77 -3.370 11.303 4.863 1.00 0.00 C ATOM 1128 C SER A 77 -4.624 11.842 5.541 1.00 0.00 C ATOM 1129 O SER A 77 -5.422 11.079 6.088 1.00 0.00 O ATOM 1130 CB SER A 77 -3.415 11.600 3.363 1.00 0.00 C ATOM 1131 OG SER A 77 -2.832 10.545 2.617 1.00 0.00 O ATOM 0 H SER A 77 -4.083 9.334 4.890 1.00 0.00 H new ATOM 0 HA SER A 77 -2.500 11.799 5.292 1.00 0.00 H new ATOM 0 HB2 SER A 77 -4.449 11.744 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.886 12.531 3.157 1.00 0.00 H new ATOM 0 HG SER A 77 -2.874 10.758 1.661 1.00 0.00 H new ATOM 1137 N ASP A 78 -4.796 13.157 5.499 1.00 0.00 N ATOM 1138 CA ASP A 78 -5.956 13.801 6.107 1.00 0.00 C ATOM 1139 C ASP A 78 -7.256 13.202 5.582 1.00 0.00 C ATOM 1140 O ASP A 78 -8.103 12.743 6.348 1.00 0.00 O ATOM 1141 CB ASP A 78 -5.932 15.300 5.813 1.00 0.00 C ATOM 1142 CG ASP A 78 -5.171 16.083 6.861 1.00 0.00 C ATOM 1143 OD1 ASP A 78 -4.240 15.512 7.464 1.00 0.00 O ATOM 1144 OD2 ASP A 78 -5.507 17.266 7.079 1.00 0.00 O ATOM 0 H ASP A 78 -4.146 13.801 5.049 1.00 0.00 H new ATOM 0 HA ASP A 78 -5.908 13.635 7.183 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.477 15.468 4.837 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.955 15.673 5.757 1.00 0.00 H new ATOM 1149 N ASP A 79 -7.404 13.225 4.266 1.00 0.00 N ATOM 1150 CA ASP A 79 -8.597 12.701 3.606 1.00 0.00 C ATOM 1151 C ASP A 79 -8.821 11.221 3.919 1.00 0.00 C ATOM 1152 O ASP A 79 -9.908 10.693 3.685 1.00 0.00 O ATOM 1153 CB ASP A 79 -8.490 12.900 2.094 1.00 0.00 C ATOM 1154 CG ASP A 79 -9.056 14.232 1.644 1.00 0.00 C ATOM 1155 OD1 ASP A 79 -10.292 14.402 1.697 1.00 0.00 O ATOM 1156 OD2 ASP A 79 -8.261 15.108 1.241 1.00 0.00 O ATOM 0 H ASP A 79 -6.706 13.605 3.626 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.453 13.255 3.991 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.444 12.833 1.795 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -9.019 12.094 1.586 1.00 0.00 H new ATOM 1161 N TYR A 80 -7.798 10.551 4.442 1.00 0.00 N ATOM 1162 CA TYR A 80 -7.908 9.138 4.773 1.00 0.00 C ATOM 1163 C TYR A 80 -8.349 8.956 6.219 1.00 0.00 C ATOM 1164 O TYR A 80 -9.147 8.074 6.532 1.00 0.00 O ATOM 1165 CB TYR A 80 -6.565 8.439 4.545 1.00 0.00 C ATOM 1166 CG TYR A 80 -6.643 6.930 4.608 1.00 0.00 C ATOM 1167 CD1 TYR A 80 -7.007 6.187 3.493 1.00 0.00 C ATOM 1168 CD2 TYR A 80 -6.350 6.251 5.783 1.00 0.00 C ATOM 1169 CE1 TYR A 80 -7.077 4.808 3.547 1.00 0.00 C ATOM 1170 CE2 TYR A 80 -6.418 4.872 5.845 1.00 0.00 C ATOM 1171 CZ TYR A 80 -6.782 4.156 4.724 1.00 0.00 C ATOM 1172 OH TYR A 80 -6.850 2.783 4.782 1.00 0.00 O ATOM 0 H TYR A 80 -6.888 10.964 4.644 1.00 0.00 H new ATOM 0 HA TYR A 80 -8.660 8.690 4.123 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -6.174 8.733 3.571 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.853 8.788 5.293 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -7.239 6.695 2.569 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.064 6.809 6.662 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.362 4.244 2.671 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -6.187 4.358 6.766 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.406 2.400 3.997 1.00 0.00 H new ATOM 1182 N LEU A 81 -7.818 9.798 7.098 1.00 0.00 N ATOM 1183 CA LEU A 81 -8.141 9.737 8.511 1.00 0.00 C ATOM 1184 C LEU A 81 -9.467 10.422 8.810 1.00 0.00 C ATOM 1185 O LEU A 81 -10.147 10.082 9.778 1.00 0.00 O ATOM 1186 CB LEU A 81 -7.017 10.380 9.314 1.00 0.00 C ATOM 1187 CG LEU A 81 -5.645 9.755 9.092 1.00 0.00 C ATOM 1188 CD1 LEU A 81 -4.532 10.766 9.310 1.00 0.00 C ATOM 1189 CD2 LEU A 81 -5.466 8.576 10.017 1.00 0.00 C ATOM 0 H LEU A 81 -7.157 10.535 6.850 1.00 0.00 H new ATOM 0 HA LEU A 81 -8.243 8.690 8.798 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.966 11.439 9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.263 10.318 10.374 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.589 9.417 8.057 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.567 10.287 9.143 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.651 11.594 8.612 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -4.578 11.143 10.332 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.484 8.132 9.855 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.547 8.910 11.052 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.238 7.834 9.814 1.00 0.00 H new ATOM 1201 N GLN A 82 -9.836 11.387 7.975 1.00 0.00 N ATOM 1202 CA GLN A 82 -11.082 12.111 8.154 1.00 0.00 C ATOM 1203 C GLN A 82 -12.288 11.222 7.846 1.00 0.00 C ATOM 1204 O GLN A 82 -13.431 11.611 8.083 1.00 0.00 O ATOM 1205 CB GLN A 82 -11.094 13.357 7.265 1.00 0.00 C ATOM 1206 CG GLN A 82 -11.395 13.071 5.801 1.00 0.00 C ATOM 1207 CD GLN A 82 -12.874 13.175 5.480 1.00 0.00 C ATOM 1208 OE1 GLN A 82 -13.633 12.228 5.681 1.00 0.00 O ATOM 1209 NE2 GLN A 82 -13.290 14.331 4.975 1.00 0.00 N ATOM 0 H GLN A 82 -9.287 11.684 7.168 1.00 0.00 H new ATOM 0 HA GLN A 82 -11.153 12.417 9.198 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -11.837 14.057 7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -10.125 13.851 7.336 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.841 13.771 5.176 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.042 12.071 5.550 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.626 15.090 4.825 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -14.274 14.459 4.738 1.00 0.00 H new ATOM 1218 N SER A 83 -12.030 10.028 7.312 1.00 0.00 N ATOM 1219 CA SER A 83 -13.097 9.096 6.972 1.00 0.00 C ATOM 1220 C SER A 83 -13.036 7.844 7.843 1.00 0.00 C ATOM 1221 O SER A 83 -12.007 7.545 8.448 1.00 0.00 O ATOM 1222 CB SER A 83 -13.014 8.708 5.496 1.00 0.00 C ATOM 1223 OG SER A 83 -14.269 8.262 5.013 1.00 0.00 O ATOM 0 H SER A 83 -11.091 9.687 7.107 1.00 0.00 H new ATOM 0 HA SER A 83 -14.048 9.596 7.158 1.00 0.00 H new ATOM 0 HB2 SER A 83 -12.679 9.564 4.910 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.270 7.922 5.365 1.00 0.00 H new ATOM 0 HG SER A 83 -14.189 8.022 4.066 1.00 0.00 H new ATOM 1229 N LYS A 84 -14.148 7.118 7.901 1.00 0.00 N ATOM 1230 CA LYS A 84 -14.232 5.898 8.691 1.00 0.00 C ATOM 1231 C LYS A 84 -13.495 4.750 8.010 1.00 0.00 C ATOM 1232 O LYS A 84 -13.059 3.804 8.667 1.00 0.00 O ATOM 1233 CB LYS A 84 -15.696 5.523 8.912 1.00 0.00 C ATOM 1234 CG LYS A 84 -16.512 5.470 7.629 1.00 0.00 C ATOM 1235 CD LYS A 84 -17.741 6.364 7.709 1.00 0.00 C ATOM 1236 CE LYS A 84 -17.357 7.832 7.806 1.00 0.00 C ATOM 1237 NZ LYS A 84 -18.487 8.670 8.296 1.00 0.00 N ATOM 0 H LYS A 84 -15.008 7.357 7.406 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.756 6.081 9.654 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -15.743 4.551 9.403 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -16.149 6.245 9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -15.890 5.780 6.789 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -16.821 4.443 7.436 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -18.364 6.207 6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -18.339 6.085 8.577 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -16.506 7.941 8.478 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -17.038 8.189 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -18.185 9.664 8.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -19.291 8.586 7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -18.775 8.346 9.241 1.00 0.00 H new ATOM 1251 N GLU A 85 -13.360 4.835 6.691 1.00 0.00 N ATOM 1252 CA GLU A 85 -12.675 3.804 5.918 1.00 0.00 C ATOM 1253 C GLU A 85 -11.318 3.478 6.530 1.00 0.00 C ATOM 1254 O GLU A 85 -10.831 2.352 6.429 1.00 0.00 O ATOM 1255 CB GLU A 85 -12.498 4.256 4.468 1.00 0.00 C ATOM 1256 CG GLU A 85 -13.808 4.514 3.746 1.00 0.00 C ATOM 1257 CD GLU A 85 -14.115 3.462 2.699 1.00 0.00 C ATOM 1258 OE1 GLU A 85 -14.302 2.287 3.075 1.00 0.00 O ATOM 1259 OE2 GLU A 85 -14.169 3.814 1.502 1.00 0.00 O ATOM 0 H GLU A 85 -13.717 5.610 6.133 1.00 0.00 H new ATOM 0 HA GLU A 85 -13.289 2.903 5.937 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -11.898 5.166 4.451 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -11.938 3.495 3.925 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -14.619 4.545 4.473 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -13.769 5.494 3.270 1.00 0.00 H new ATOM 1266 N CYS A 86 -10.714 4.472 7.174 1.00 0.00 N ATOM 1267 CA CYS A 86 -9.418 4.292 7.812 1.00 0.00 C ATOM 1268 C CYS A 86 -9.584 3.590 9.153 1.00 0.00 C ATOM 1269 O CYS A 86 -8.722 2.820 9.570 1.00 0.00 O ATOM 1270 CB CYS A 86 -8.723 5.644 8.002 1.00 0.00 C ATOM 1271 SG CYS A 86 -7.174 5.562 8.933 1.00 0.00 S ATOM 0 H CYS A 86 -11.103 5.410 7.267 1.00 0.00 H new ATOM 0 HA CYS A 86 -8.796 3.671 7.167 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -8.522 6.076 7.022 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -9.406 6.321 8.515 1.00 0.00 H new ATOM 0 HG CYS A 86 -6.173 5.507 8.106 1.00 0.00 H new ATOM 1277 N ASP A 87 -10.702 3.857 9.821 1.00 0.00 N ATOM 1278 CA ASP A 87 -10.980 3.239 11.110 1.00 0.00 C ATOM 1279 C ASP A 87 -11.069 1.727 10.962 1.00 0.00 C ATOM 1280 O ASP A 87 -10.588 0.978 11.814 1.00 0.00 O ATOM 1281 CB ASP A 87 -12.280 3.792 11.701 1.00 0.00 C ATOM 1282 CG ASP A 87 -12.033 4.820 12.787 1.00 0.00 C ATOM 1283 OD1 ASP A 87 -11.086 5.622 12.641 1.00 0.00 O ATOM 1284 OD2 ASP A 87 -12.785 4.825 13.783 1.00 0.00 O ATOM 0 H ASP A 87 -11.427 4.495 9.492 1.00 0.00 H new ATOM 0 HA ASP A 87 -10.162 3.476 11.791 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -12.873 4.244 10.906 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -12.868 2.970 12.110 1.00 0.00 H new ATOM 1289 N PHE A 88 -11.669 1.288 9.862 1.00 0.00 N ATOM 1290 CA PHE A 88 -11.801 -0.136 9.589 1.00 0.00 C ATOM 1291 C PHE A 88 -10.446 -0.707 9.197 1.00 0.00 C ATOM 1292 O PHE A 88 -10.026 -1.754 9.697 1.00 0.00 O ATOM 1293 CB PHE A 88 -12.818 -0.370 8.470 1.00 0.00 C ATOM 1294 CG PHE A 88 -13.232 -1.807 8.323 1.00 0.00 C ATOM 1295 CD1 PHE A 88 -14.170 -2.361 9.180 1.00 0.00 C ATOM 1296 CD2 PHE A 88 -12.685 -2.601 7.329 1.00 0.00 C ATOM 1297 CE1 PHE A 88 -14.554 -3.682 9.047 1.00 0.00 C ATOM 1298 CE2 PHE A 88 -13.065 -3.923 7.191 1.00 0.00 C ATOM 1299 CZ PHE A 88 -14.002 -4.464 8.051 1.00 0.00 C ATOM 0 H PHE A 88 -12.070 1.896 9.148 1.00 0.00 H new ATOM 0 HA PHE A 88 -12.156 -0.641 10.488 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -13.703 0.236 8.662 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -12.394 -0.025 7.527 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -14.605 -1.754 9.960 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -11.953 -2.183 6.654 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -15.285 -4.103 9.721 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -12.630 -4.532 6.412 1.00 0.00 H new ATOM 0 HZ PHE A 88 -14.302 -5.496 7.945 1.00 0.00 H new ATOM 1309 N GLN A 89 -9.756 0.005 8.313 1.00 0.00 N ATOM 1310 CA GLN A 89 -8.436 -0.407 7.866 1.00 0.00 C ATOM 1311 C GLN A 89 -7.494 -0.500 9.057 1.00 0.00 C ATOM 1312 O GLN A 89 -6.651 -1.389 9.127 1.00 0.00 O ATOM 1313 CB GLN A 89 -7.890 0.581 6.834 1.00 0.00 C ATOM 1314 CG GLN A 89 -6.907 -0.042 5.855 1.00 0.00 C ATOM 1315 CD GLN A 89 -5.515 -0.186 6.437 1.00 0.00 C ATOM 1316 OE1 GLN A 89 -4.932 -1.270 6.416 1.00 0.00 O ATOM 1317 NE2 GLN A 89 -4.973 0.908 6.959 1.00 0.00 N ATOM 0 H GLN A 89 -10.092 0.872 7.893 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.513 -1.388 7.397 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.723 1.009 6.277 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -7.399 1.403 7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.274 -1.023 5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -6.859 0.571 4.955 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -5.492 1.786 6.955 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -4.037 0.870 7.364 1.00 0.00 H new ATOM 1326 N THR A 90 -7.660 0.424 10.001 1.00 0.00 N ATOM 1327 CA THR A 90 -6.847 0.450 11.207 1.00 0.00 C ATOM 1328 C THR A 90 -6.972 -0.856 11.961 1.00 0.00 C ATOM 1329 O THR A 90 -5.997 -1.583 12.094 1.00 0.00 O ATOM 1330 CB THR A 90 -7.254 1.628 12.096 1.00 0.00 C ATOM 1331 OG1 THR A 90 -7.119 2.851 11.396 1.00 0.00 O ATOM 1332 CG2 THR A 90 -6.438 1.739 13.364 1.00 0.00 C ATOM 0 H THR A 90 -8.356 1.168 9.950 1.00 0.00 H new ATOM 0 HA THR A 90 -5.803 0.578 10.920 1.00 0.00 H new ATOM 0 HB THR A 90 -8.292 1.435 12.368 1.00 0.00 H new ATOM 0 HG1 THR A 90 -7.936 3.027 10.884 1.00 0.00 H new ATOM 0 HG21 THR A 90 -6.782 2.595 13.944 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.557 0.830 13.954 1.00 0.00 H new ATOM 0 HG23 THR A 90 -5.386 1.872 13.110 1.00 0.00 H new ATOM 1340 N LYS A 91 -8.168 -1.159 12.444 1.00 0.00 N ATOM 1341 CA LYS A 91 -8.385 -2.397 13.183 1.00 0.00 C ATOM 1342 C LYS A 91 -7.809 -3.594 12.433 1.00 0.00 C ATOM 1343 O LYS A 91 -7.390 -4.576 13.045 1.00 0.00 O ATOM 1344 CB LYS A 91 -9.877 -2.608 13.452 1.00 0.00 C ATOM 1345 CG LYS A 91 -10.320 -2.147 14.831 1.00 0.00 C ATOM 1346 CD LYS A 91 -10.773 -0.695 14.815 1.00 0.00 C ATOM 1347 CE LYS A 91 -11.525 -0.332 16.085 1.00 0.00 C ATOM 1348 NZ LYS A 91 -12.990 -0.208 15.848 1.00 0.00 N ATOM 0 H LYS A 91 -8.996 -0.573 12.340 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.865 -2.312 14.137 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -10.453 -2.072 12.697 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -10.111 -3.667 13.340 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -11.135 -2.780 15.183 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -9.498 -2.265 15.537 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -9.906 -0.043 14.705 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.413 -0.522 13.950 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -11.343 -1.093 16.844 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -11.140 0.609 16.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -13.466 0.040 16.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -13.166 0.536 15.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -13.363 -1.113 15.497 1.00 0.00 H new ATOM 1362 N PHE A 92 -7.780 -3.501 11.111 1.00 0.00 N ATOM 1363 CA PHE A 92 -7.240 -4.578 10.291 1.00 0.00 C ATOM 1364 C PHE A 92 -5.744 -4.377 10.050 1.00 0.00 C ATOM 1365 O PHE A 92 -5.020 -5.329 9.754 1.00 0.00 O ATOM 1366 CB PHE A 92 -7.980 -4.657 8.956 1.00 0.00 C ATOM 1367 CG PHE A 92 -8.134 -6.058 8.437 1.00 0.00 C ATOM 1368 CD1 PHE A 92 -9.208 -6.842 8.828 1.00 0.00 C ATOM 1369 CD2 PHE A 92 -7.204 -6.592 7.560 1.00 0.00 C ATOM 1370 CE1 PHE A 92 -9.353 -8.131 8.352 1.00 0.00 C ATOM 1371 CE2 PHE A 92 -7.343 -7.881 7.080 1.00 0.00 C ATOM 1372 CZ PHE A 92 -8.419 -8.652 7.478 1.00 0.00 C ATOM 0 H PHE A 92 -8.122 -2.696 10.585 1.00 0.00 H new ATOM 0 HA PHE A 92 -7.382 -5.516 10.828 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -8.968 -4.210 9.070 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -7.444 -4.061 8.217 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -9.940 -6.441 9.513 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -6.360 -5.994 7.248 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -10.196 -8.731 8.663 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -6.612 -8.285 6.395 1.00 0.00 H new ATOM 0 HZ PHE A 92 -8.529 -9.660 7.106 1.00 0.00 H new ATOM 1382 N ALA A 93 -5.289 -3.134 10.178 1.00 0.00 N ATOM 1383 CA ALA A 93 -3.885 -2.805 9.976 1.00 0.00 C ATOM 1384 C ALA A 93 -3.104 -2.883 11.283 1.00 0.00 C ATOM 1385 O ALA A 93 -1.904 -3.155 11.288 1.00 0.00 O ATOM 1386 CB ALA A 93 -3.752 -1.420 9.368 1.00 0.00 C ATOM 0 H ALA A 93 -5.876 -2.336 10.422 1.00 0.00 H new ATOM 0 HA ALA A 93 -3.464 -3.538 9.288 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -2.697 -1.186 9.222 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -4.266 -1.394 8.407 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -4.197 -0.684 10.038 1.00 0.00 H new ATOM 1392 N LEU A 94 -3.794 -2.646 12.392 1.00 0.00 N ATOM 1393 CA LEU A 94 -3.174 -2.694 13.705 1.00 0.00 C ATOM 1394 C LEU A 94 -3.178 -4.114 14.230 1.00 0.00 C ATOM 1395 O LEU A 94 -2.168 -4.628 14.710 1.00 0.00 O ATOM 1396 CB LEU A 94 -3.937 -1.787 14.665 1.00 0.00 C ATOM 1397 CG LEU A 94 -5.458 -1.974 14.715 1.00 0.00 C ATOM 1398 CD1 LEU A 94 -5.846 -3.045 15.708 1.00 0.00 C ATOM 1399 CD2 LEU A 94 -6.143 -0.661 15.063 1.00 0.00 C ATOM 0 H LEU A 94 -4.788 -2.418 12.405 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.143 -2.350 13.625 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -3.541 -1.941 15.669 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -3.729 -0.752 14.395 1.00 0.00 H new ATOM 0 HG LEU A 94 -5.788 -2.294 13.727 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.930 -3.154 15.720 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.389 -3.992 15.419 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -5.498 -2.763 16.702 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -7.222 -0.811 15.094 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.796 -0.317 16.037 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -5.902 0.086 14.307 1.00 0.00 H new ATOM 1411 N SER A 95 -4.337 -4.723 14.127 1.00 0.00 N ATOM 1412 CA SER A 95 -4.539 -6.093 14.580 1.00 0.00 C ATOM 1413 C SER A 95 -4.513 -7.067 13.406 1.00 0.00 C ATOM 1414 O SER A 95 -5.416 -7.891 13.247 1.00 0.00 O ATOM 1415 CB SER A 95 -5.867 -6.210 15.331 1.00 0.00 C ATOM 1416 OG SER A 95 -6.043 -7.515 15.860 1.00 0.00 O ATOM 0 H SER A 95 -5.170 -4.289 13.728 1.00 0.00 H new ATOM 0 HA SER A 95 -3.723 -6.351 15.255 1.00 0.00 H new ATOM 0 HB2 SER A 95 -5.896 -5.480 16.140 1.00 0.00 H new ATOM 0 HB3 SER A 95 -6.691 -5.973 14.658 1.00 0.00 H new ATOM 0 HG SER A 95 -6.006 -8.171 15.133 1.00 0.00 H new ATOM 1422 N LEU A 96 -3.472 -6.969 12.586 1.00 0.00 N ATOM 1423 CA LEU A 96 -3.328 -7.845 11.426 1.00 0.00 C ATOM 1424 C LEU A 96 -2.855 -9.231 11.847 1.00 0.00 C ATOM 1425 O LEU A 96 -3.621 -10.195 11.835 1.00 0.00 O ATOM 1426 CB LEU A 96 -2.347 -7.261 10.400 1.00 0.00 C ATOM 1427 CG LEU A 96 -1.974 -5.790 10.590 1.00 0.00 C ATOM 1428 CD1 LEU A 96 -0.750 -5.657 11.484 1.00 0.00 C ATOM 1429 CD2 LEU A 96 -1.721 -5.138 9.243 1.00 0.00 C ATOM 0 H LEU A 96 -2.716 -6.294 12.702 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.311 -7.927 10.962 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.432 -7.853 10.424 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.778 -7.380 9.406 1.00 0.00 H new ATOM 0 HG LEU A 96 -2.807 -5.281 11.076 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -0.502 -4.603 11.606 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.962 -6.095 12.459 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.092 -6.178 11.028 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -1.456 -4.091 9.390 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.903 -5.652 8.738 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -2.622 -5.202 8.633 1.00 0.00 H new ATOM 1441 N SER A 97 -1.582 -9.318 12.210 1.00 0.00 N ATOM 1442 CA SER A 97 -0.984 -10.579 12.630 1.00 0.00 C ATOM 1443 C SER A 97 -0.029 -10.359 13.803 1.00 0.00 C ATOM 1444 O SER A 97 0.213 -9.224 14.210 1.00 0.00 O ATOM 1445 CB SER A 97 -0.240 -11.224 11.458 1.00 0.00 C ATOM 1446 OG SER A 97 -0.844 -12.449 11.080 1.00 0.00 O ATOM 0 H SER A 97 -0.940 -8.525 12.222 1.00 0.00 H new ATOM 0 HA SER A 97 -1.781 -11.248 12.956 1.00 0.00 H new ATOM 0 HB2 SER A 97 -0.233 -10.541 10.608 1.00 0.00 H new ATOM 0 HB3 SER A 97 0.800 -11.398 11.735 1.00 0.00 H new ATOM 0 HG SER A 97 -0.350 -12.839 10.329 1.00 0.00 H new ATOM 1452 N PRO A 98 0.526 -11.447 14.367 1.00 0.00 N ATOM 1453 CA PRO A 98 1.451 -11.361 15.499 1.00 0.00 C ATOM 1454 C PRO A 98 2.864 -10.973 15.076 1.00 0.00 C ATOM 1455 O PRO A 98 3.812 -11.736 15.266 1.00 0.00 O ATOM 1456 CB PRO A 98 1.431 -12.783 16.061 1.00 0.00 C ATOM 1457 CG PRO A 98 1.168 -13.647 14.877 1.00 0.00 C ATOM 1458 CD PRO A 98 0.288 -12.844 13.952 1.00 0.00 C ATOM 0 HA PRO A 98 1.156 -10.593 16.214 1.00 0.00 H new ATOM 0 HB2 PRO A 98 2.380 -13.036 16.535 1.00 0.00 H new ATOM 0 HB3 PRO A 98 0.656 -12.900 16.818 1.00 0.00 H new ATOM 0 HG2 PRO A 98 2.100 -13.924 14.384 1.00 0.00 H new ATOM 0 HG3 PRO A 98 0.677 -14.574 15.174 1.00 0.00 H new ATOM 0 HD2 PRO A 98 0.555 -13.002 12.907 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -0.761 -13.120 14.058 1.00 0.00 H new ATOM 1466 N GLY A 99 3.003 -9.779 14.506 1.00 0.00 N ATOM 1467 CA GLY A 99 4.310 -9.315 14.075 1.00 0.00 C ATOM 1468 C GLY A 99 4.302 -8.750 12.667 1.00 0.00 C ATOM 1469 O GLY A 99 5.206 -9.025 11.878 1.00 0.00 O ATOM 0 H GLY A 99 2.237 -9.127 14.335 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.664 -8.550 14.766 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.018 -10.142 14.125 1.00 0.00 H new ATOM 1473 N ALA A 100 3.283 -7.959 12.350 1.00 0.00 N ATOM 1474 CA ALA A 100 3.172 -7.354 11.027 1.00 0.00 C ATOM 1475 C ALA A 100 2.578 -5.952 11.111 1.00 0.00 C ATOM 1476 O ALA A 100 1.721 -5.580 10.310 1.00 0.00 O ATOM 1477 CB ALA A 100 2.331 -8.235 10.116 1.00 0.00 C ATOM 0 H ALA A 100 2.524 -7.722 12.989 1.00 0.00 H new ATOM 0 HA ALA A 100 4.174 -7.268 10.607 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.255 -7.773 9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.800 -9.214 10.022 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.334 -8.350 10.540 1.00 0.00 H new ATOM 1483 N HIS A 101 3.042 -5.176 12.086 1.00 0.00 N ATOM 1484 CA HIS A 101 2.559 -3.812 12.274 1.00 0.00 C ATOM 1485 C HIS A 101 3.185 -2.875 11.250 1.00 0.00 C ATOM 1486 O HIS A 101 2.535 -1.959 10.749 1.00 0.00 O ATOM 1487 CB HIS A 101 2.878 -3.330 13.691 1.00 0.00 C ATOM 1488 CG HIS A 101 2.168 -2.068 14.070 1.00 0.00 C ATOM 1489 ND1 HIS A 101 2.315 -0.884 13.377 1.00 0.00 N ATOM 1490 CD2 HIS A 101 1.302 -1.804 15.078 1.00 0.00 C ATOM 1491 CE1 HIS A 101 1.572 0.052 13.941 1.00 0.00 C ATOM 1492 NE2 HIS A 101 0.947 -0.482 14.975 1.00 0.00 N ATOM 0 H HIS A 101 3.752 -5.468 12.758 1.00 0.00 H new ATOM 0 HA HIS A 101 1.478 -3.807 12.132 1.00 0.00 H new ATOM 0 HB2 HIS A 101 2.612 -4.114 14.401 1.00 0.00 H new ATOM 0 HB3 HIS A 101 3.953 -3.172 13.779 1.00 0.00 H new ATOM 0 HD2 HIS A 101 0.955 -2.504 15.824 1.00 0.00 H new ATOM 0 HE1 HIS A 101 1.490 1.078 13.613 1.00 0.00 H new ATOM 0 HE2 HIS A 101 0.304 0.009 15.597 1.00 0.00 H new ATOM 1501 N GLN A 102 4.453 -3.119 10.942 1.00 0.00 N ATOM 1502 CA GLN A 102 5.176 -2.305 9.972 1.00 0.00 C ATOM 1503 C GLN A 102 6.217 -3.143 9.241 1.00 0.00 C ATOM 1504 O GLN A 102 7.281 -2.647 8.870 1.00 0.00 O ATOM 1505 CB GLN A 102 5.850 -1.119 10.665 1.00 0.00 C ATOM 1506 CG GLN A 102 6.807 -1.525 11.774 1.00 0.00 C ATOM 1507 CD GLN A 102 7.780 -0.421 12.137 1.00 0.00 C ATOM 1508 OE1 GLN A 102 7.844 0.013 13.286 1.00 0.00 O ATOM 1509 NE2 GLN A 102 8.544 0.040 11.154 1.00 0.00 N ATOM 0 H GLN A 102 5.003 -3.875 11.350 1.00 0.00 H new ATOM 0 HA GLN A 102 4.459 -1.925 9.244 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.395 -0.536 9.922 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.081 -0.467 11.080 1.00 0.00 H new ATOM 0 HG2 GLN A 102 6.235 -1.805 12.658 1.00 0.00 H new ATOM 0 HG3 GLN A 102 7.365 -2.408 11.462 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.457 -0.349 10.215 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.218 0.784 11.338 1.00 0.00 H new ATOM 1518 N LYS A 103 5.902 -4.417 9.042 1.00 0.00 N ATOM 1519 CA LYS A 103 6.806 -5.333 8.359 1.00 0.00 C ATOM 1520 C LYS A 103 6.311 -5.646 6.949 1.00 0.00 C ATOM 1521 O LYS A 103 7.100 -5.977 6.064 1.00 0.00 O ATOM 1522 CB LYS A 103 6.942 -6.630 9.160 1.00 0.00 C ATOM 1523 CG LYS A 103 8.086 -6.614 10.160 1.00 0.00 C ATOM 1524 CD LYS A 103 7.873 -5.559 11.236 1.00 0.00 C ATOM 1525 CE LYS A 103 9.001 -4.539 11.249 1.00 0.00 C ATOM 1526 NZ LYS A 103 9.350 -4.114 12.634 1.00 0.00 N ATOM 0 H LYS A 103 5.025 -4.840 9.345 1.00 0.00 H new ATOM 0 HA LYS A 103 7.780 -4.851 8.281 1.00 0.00 H new ATOM 0 HB2 LYS A 103 6.009 -6.818 9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 103 7.087 -7.460 8.469 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.178 -7.596 10.625 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.023 -6.419 9.639 1.00 0.00 H new ATOM 0 HD2 LYS A 103 6.924 -5.051 11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.806 -6.041 12.211 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.881 -4.965 10.767 1.00 0.00 H new ATOM 0 HE3 LYS A 103 8.708 -3.667 10.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 10.123 -3.419 12.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 8.517 -3.684 13.085 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 9.654 -4.942 13.185 1.00 0.00 H new ATOM 1540 N ARG A 104 5.000 -5.550 6.750 1.00 0.00 N ATOM 1541 CA ARG A 104 4.406 -5.830 5.447 1.00 0.00 C ATOM 1542 C ARG A 104 3.701 -4.605 4.878 1.00 0.00 C ATOM 1543 O ARG A 104 3.701 -4.389 3.667 1.00 0.00 O ATOM 1544 CB ARG A 104 3.413 -6.988 5.561 1.00 0.00 C ATOM 1545 CG ARG A 104 3.958 -8.187 6.319 1.00 0.00 C ATOM 1546 CD ARG A 104 2.842 -9.113 6.772 1.00 0.00 C ATOM 1547 NE ARG A 104 2.066 -9.627 5.647 1.00 0.00 N ATOM 1548 CZ ARG A 104 0.842 -10.141 5.763 1.00 0.00 C ATOM 1549 NH1 ARG A 104 0.255 -10.213 6.950 1.00 0.00 N ATOM 1550 NH2 ARG A 104 0.206 -10.583 4.687 1.00 0.00 N ATOM 0 H ARG A 104 4.331 -5.281 7.471 1.00 0.00 H new ATOM 0 HA ARG A 104 5.213 -6.103 4.767 1.00 0.00 H new ATOM 0 HB2 ARG A 104 2.511 -6.634 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 104 3.121 -7.304 4.560 1.00 0.00 H new ATOM 0 HG2 ARG A 104 4.652 -8.736 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 104 4.523 -7.845 7.186 1.00 0.00 H new ATOM 0 HD2 ARG A 104 3.267 -9.947 7.330 1.00 0.00 H new ATOM 0 HD3 ARG A 104 2.181 -8.578 7.454 1.00 0.00 H new ATOM 0 HE ARG A 104 2.485 -9.590 4.718 1.00 0.00 H new ATOM 0 HH11 ARG A 104 0.741 -9.874 7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.682 -10.607 7.032 1.00 0.00 H new ATOM 0 HH21 ARG A 104 0.654 -10.529 3.772 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.731 -10.977 4.774 1.00 0.00 H new ATOM 1564 N LEU A 105 3.093 -3.810 5.751 1.00 0.00 N ATOM 1565 CA LEU A 105 2.373 -2.622 5.325 1.00 0.00 C ATOM 1566 C LEU A 105 3.226 -1.369 5.493 1.00 0.00 C ATOM 1567 O LEU A 105 3.976 -1.240 6.460 1.00 0.00 O ATOM 1568 CB LEU A 105 1.087 -2.478 6.132 1.00 0.00 C ATOM 1569 CG LEU A 105 1.239 -2.705 7.638 1.00 0.00 C ATOM 1570 CD1 LEU A 105 0.392 -1.708 8.417 1.00 0.00 C ATOM 1571 CD2 LEU A 105 0.859 -4.129 8.006 1.00 0.00 C ATOM 0 H LEU A 105 3.086 -3.969 6.758 1.00 0.00 H new ATOM 0 HA LEU A 105 2.133 -2.734 4.268 1.00 0.00 H new ATOM 0 HB2 LEU A 105 0.684 -1.478 5.969 1.00 0.00 H new ATOM 0 HB3 LEU A 105 0.352 -3.185 5.746 1.00 0.00 H new ATOM 0 HG LEU A 105 2.285 -2.550 7.904 1.00 0.00 H new ATOM 0 HD11 LEU A 105 0.513 -1.885 9.486 1.00 0.00 H new ATOM 0 HD12 LEU A 105 0.712 -0.694 8.178 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -0.656 -1.831 8.145 1.00 0.00 H new ATOM 0 HD21 LEU A 105 0.974 -4.270 9.081 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -0.178 -4.313 7.725 1.00 0.00 H new ATOM 0 HD23 LEU A 105 1.508 -4.827 7.477 1.00 0.00 H new ATOM 1583 N ILE A 106 3.099 -0.445 4.545 1.00 0.00 N ATOM 1584 CA ILE A 106 3.852 0.800 4.590 1.00 0.00 C ATOM 1585 C ILE A 106 2.963 1.995 4.245 1.00 0.00 C ATOM 1586 O ILE A 106 2.331 2.023 3.190 1.00 0.00 O ATOM 1587 CB ILE A 106 5.055 0.778 3.624 1.00 0.00 C ATOM 1588 CG1 ILE A 106 4.657 0.150 2.280 1.00 0.00 C ATOM 1589 CG2 ILE A 106 6.229 0.037 4.252 1.00 0.00 C ATOM 1590 CD1 ILE A 106 4.794 -1.359 2.238 1.00 0.00 C ATOM 0 H ILE A 106 2.482 -0.537 3.738 1.00 0.00 H new ATOM 0 HA ILE A 106 4.221 0.902 5.611 1.00 0.00 H new ATOM 0 HB ILE A 106 5.368 1.805 3.434 1.00 0.00 H new ATOM 0 HG12 ILE A 106 3.624 0.417 2.058 1.00 0.00 H new ATOM 0 HG13 ILE A 106 5.274 0.582 1.492 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.069 0.031 3.557 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.524 0.538 5.174 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.935 -0.989 4.475 1.00 0.00 H new ATOM 0 HD11 ILE A 106 4.494 -1.724 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 106 5.831 -1.636 2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 106 4.156 -1.804 3.001 1.00 0.00 H new ATOM 1602 N PRO A 107 2.901 3.002 5.139 1.00 0.00 N ATOM 1603 CA PRO A 107 2.084 4.204 4.928 1.00 0.00 C ATOM 1604 C PRO A 107 2.667 5.128 3.863 1.00 0.00 C ATOM 1605 O PRO A 107 3.883 5.216 3.699 1.00 0.00 O ATOM 1606 CB PRO A 107 2.111 4.891 6.292 1.00 0.00 C ATOM 1607 CG PRO A 107 3.391 4.447 6.910 1.00 0.00 C ATOM 1608 CD PRO A 107 3.611 3.039 6.431 1.00 0.00 C ATOM 0 HA PRO A 107 1.083 3.956 4.574 1.00 0.00 H new ATOM 0 HB2 PRO A 107 2.075 5.976 6.190 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.255 4.599 6.900 1.00 0.00 H new ATOM 0 HG2 PRO A 107 4.215 5.095 6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 107 3.334 4.485 7.998 1.00 0.00 H new ATOM 0 HD2 PRO A 107 4.671 2.816 6.313 1.00 0.00 H new ATOM 0 HD3 PRO A 107 3.208 2.308 7.132 1.00 0.00 H new ATOM 1616 N ILE A 108 1.784 5.815 3.145 1.00 0.00 N ATOM 1617 CA ILE A 108 2.197 6.739 2.095 1.00 0.00 C ATOM 1618 C ILE A 108 1.188 7.879 1.954 1.00 0.00 C ATOM 1619 O ILE A 108 0.042 7.762 2.387 1.00 0.00 O ATOM 1620 CB ILE A 108 2.348 6.003 0.742 1.00 0.00 C ATOM 1621 CG1 ILE A 108 3.540 5.046 0.792 1.00 0.00 C ATOM 1622 CG2 ILE A 108 2.513 6.991 -0.408 1.00 0.00 C ATOM 1623 CD1 ILE A 108 3.163 3.629 1.166 1.00 0.00 C ATOM 0 H ILE A 108 0.774 5.749 3.272 1.00 0.00 H new ATOM 0 HA ILE A 108 3.164 7.155 2.377 1.00 0.00 H new ATOM 0 HB ILE A 108 1.438 5.430 0.566 1.00 0.00 H new ATOM 0 HG12 ILE A 108 4.030 5.038 -0.182 1.00 0.00 H new ATOM 0 HG13 ILE A 108 4.267 5.422 1.512 1.00 0.00 H new ATOM 0 HG21 ILE A 108 2.617 6.444 -1.345 1.00 0.00 H new ATOM 0 HG22 ILE A 108 1.637 7.638 -0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 108 3.403 7.598 -0.241 1.00 0.00 H new ATOM 0 HD11 ILE A 108 4.058 3.007 1.182 1.00 0.00 H new ATOM 0 HD12 ILE A 108 2.700 3.624 2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 108 2.459 3.234 0.433 1.00 0.00 H new ATOM 1635 N LYS A 109 1.617 8.980 1.345 1.00 0.00 N ATOM 1636 CA LYS A 109 0.741 10.130 1.147 1.00 0.00 C ATOM 1637 C LYS A 109 1.337 11.103 0.135 1.00 0.00 C ATOM 1638 O LYS A 109 2.553 11.276 0.066 1.00 0.00 O ATOM 1639 CB LYS A 109 0.479 10.842 2.478 1.00 0.00 C ATOM 1640 CG LYS A 109 1.701 11.538 3.058 1.00 0.00 C ATOM 1641 CD LYS A 109 2.457 10.629 4.013 1.00 0.00 C ATOM 1642 CE LYS A 109 2.066 10.890 5.461 1.00 0.00 C ATOM 1643 NZ LYS A 109 2.109 12.341 5.797 1.00 0.00 N ATOM 0 H LYS A 109 2.562 9.100 0.981 1.00 0.00 H new ATOM 0 HA LYS A 109 -0.208 9.766 0.753 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -0.312 11.578 2.335 1.00 0.00 H new ATOM 0 HB3 LYS A 109 0.110 10.114 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 109 2.362 11.849 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 109 1.392 12.442 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 109 2.254 9.588 3.763 1.00 0.00 H new ATOM 0 HD3 LYS A 109 3.529 10.783 3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 109 1.062 10.506 5.640 1.00 0.00 H new ATOM 0 HE3 LYS A 109 2.739 10.344 6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 2.894 12.522 6.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 2.252 12.894 4.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 1.212 12.621 6.242 1.00 0.00 H new ATOM 1657 N TYR A 110 0.469 11.733 -0.650 1.00 0.00 N ATOM 1658 CA TYR A 110 0.902 12.691 -1.661 1.00 0.00 C ATOM 1659 C TYR A 110 0.755 14.120 -1.152 1.00 0.00 C ATOM 1660 O TYR A 110 0.505 15.044 -1.926 1.00 0.00 O ATOM 1661 CB TYR A 110 0.091 12.507 -2.946 1.00 0.00 C ATOM 1662 CG TYR A 110 0.914 12.635 -4.210 1.00 0.00 C ATOM 1663 CD1 TYR A 110 1.433 13.862 -4.603 1.00 0.00 C ATOM 1664 CD2 TYR A 110 1.168 11.529 -5.009 1.00 0.00 C ATOM 1665 CE1 TYR A 110 2.183 13.982 -5.757 1.00 0.00 C ATOM 1666 CE2 TYR A 110 1.917 11.640 -6.165 1.00 0.00 C ATOM 1667 CZ TYR A 110 2.422 12.869 -6.534 1.00 0.00 C ATOM 1668 OH TYR A 110 3.170 12.985 -7.683 1.00 0.00 O ATOM 0 H TYR A 110 -0.541 11.597 -0.605 1.00 0.00 H new ATOM 0 HA TYR A 110 1.955 12.508 -1.875 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -0.382 11.525 -2.929 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.710 13.246 -2.968 1.00 0.00 H new ATOM 0 HD1 TYR A 110 1.247 14.736 -3.997 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.774 10.565 -4.722 1.00 0.00 H new ATOM 0 HE1 TYR A 110 2.580 14.943 -6.049 1.00 0.00 H new ATOM 0 HE2 TYR A 110 2.106 10.770 -6.776 1.00 0.00 H new ATOM 0 HH TYR A 110 3.246 12.108 -8.114 1.00 0.00 H new ATOM 1678 N LYS A 111 0.909 14.293 0.156 1.00 0.00 N ATOM 1679 CA LYS A 111 0.790 15.609 0.772 1.00 0.00 C ATOM 1680 C LYS A 111 1.070 15.533 2.269 1.00 0.00 C ATOM 1681 O LYS A 111 1.503 14.498 2.776 1.00 0.00 O ATOM 1682 CB LYS A 111 -0.608 16.181 0.530 1.00 0.00 C ATOM 1683 CG LYS A 111 -1.719 15.351 1.158 1.00 0.00 C ATOM 1684 CD LYS A 111 -2.378 16.082 2.317 1.00 0.00 C ATOM 1685 CE LYS A 111 -3.682 16.738 1.892 1.00 0.00 C ATOM 1686 NZ LYS A 111 -3.928 18.011 2.623 1.00 0.00 N ATOM 0 H LYS A 111 1.117 13.538 0.810 1.00 0.00 H new ATOM 0 HA LYS A 111 1.529 16.268 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.652 17.194 0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 111 -0.782 16.254 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 111 -2.469 15.115 0.403 1.00 0.00 H new ATOM 0 HG3 LYS A 111 -1.311 14.403 1.510 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -2.570 15.381 3.129 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.697 16.840 2.705 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -3.657 16.934 0.820 1.00 0.00 H new ATOM 0 HE3 LYS A 111 -4.509 16.051 2.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -4.827 18.426 2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -3.977 17.821 3.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -3.152 18.677 2.432 1.00 0.00 H new ATOM 1700 N ALA A 112 0.818 16.632 2.971 1.00 0.00 N ATOM 1701 CA ALA A 112 1.043 16.684 4.410 1.00 0.00 C ATOM 1702 C ALA A 112 -0.277 16.673 5.174 1.00 0.00 C ATOM 1703 O ALA A 112 -1.209 17.400 4.832 1.00 0.00 O ATOM 1704 CB ALA A 112 1.850 17.922 4.773 1.00 0.00 C ATOM 0 H ALA A 112 0.459 17.497 2.568 1.00 0.00 H new ATOM 0 HA ALA A 112 1.607 15.796 4.696 1.00 0.00 H new ATOM 0 HB1 ALA A 112 2.011 17.948 5.851 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.813 17.891 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.305 18.815 4.466 1.00 0.00 H new ATOM 1710 N MET A 113 -0.348 15.843 6.209 1.00 0.00 N ATOM 1711 CA MET A 113 -1.553 15.739 7.022 1.00 0.00 C ATOM 1712 C MET A 113 -1.569 16.815 8.101 1.00 0.00 C ATOM 1713 O MET A 113 -0.663 16.894 8.930 1.00 0.00 O ATOM 1714 CB MET A 113 -1.644 14.353 7.663 1.00 0.00 C ATOM 1715 CG MET A 113 -0.419 13.978 8.479 1.00 0.00 C ATOM 1716 SD MET A 113 0.081 12.266 8.235 1.00 0.00 S ATOM 1717 CE MET A 113 -1.451 11.424 8.615 1.00 0.00 C ATOM 0 H MET A 113 0.414 15.233 6.504 1.00 0.00 H new ATOM 0 HA MET A 113 -2.416 15.886 6.373 1.00 0.00 H new ATOM 0 HB2 MET A 113 -2.523 14.316 8.306 1.00 0.00 H new ATOM 0 HB3 MET A 113 -1.790 13.609 6.880 1.00 0.00 H new ATOM 0 HG2 MET A 113 0.407 14.636 8.209 1.00 0.00 H new ATOM 0 HG3 MET A 113 -0.627 14.144 9.536 1.00 0.00 H new ATOM 0 HE1 MET A 113 -1.243 10.551 9.233 1.00 0.00 H new ATOM 0 HE2 MET A 113 -2.114 12.100 9.155 1.00 0.00 H new ATOM 0 HE3 MET A 113 -1.931 11.107 7.689 1.00 0.00 H new ATOM 1727 N LYS A 114 -2.601 17.653 8.074 1.00 0.00 N ATOM 1728 CA LYS A 114 -2.731 18.739 9.037 1.00 0.00 C ATOM 1729 C LYS A 114 -3.411 18.284 10.328 1.00 0.00 C ATOM 1730 O LYS A 114 -3.604 19.086 11.242 1.00 0.00 O ATOM 1731 CB LYS A 114 -3.516 19.898 8.420 1.00 0.00 C ATOM 1732 CG LYS A 114 -2.631 21.004 7.864 1.00 0.00 C ATOM 1733 CD LYS A 114 -2.735 21.095 6.349 1.00 0.00 C ATOM 1734 CE LYS A 114 -1.868 20.048 5.668 1.00 0.00 C ATOM 1735 NZ LYS A 114 -1.500 20.446 4.282 1.00 0.00 N ATOM 0 H LYS A 114 -3.360 17.600 7.394 1.00 0.00 H new ATOM 0 HA LYS A 114 -1.724 19.070 9.291 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -4.148 19.513 7.620 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -4.179 20.320 9.175 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -2.918 21.958 8.307 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -1.595 20.819 8.148 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -3.774 20.962 6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -2.432 22.089 6.021 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.962 19.891 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -2.400 19.097 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -0.909 19.705 3.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -2.363 20.571 3.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -0.970 21.340 4.307 1.00 0.00 H new ATOM 1749 N LYS A 115 -3.772 17.003 10.417 1.00 0.00 N ATOM 1750 CA LYS A 115 -4.421 16.496 11.625 1.00 0.00 C ATOM 1751 C LYS A 115 -3.544 15.458 12.329 1.00 0.00 C ATOM 1752 O LYS A 115 -2.331 15.424 12.118 1.00 0.00 O ATOM 1753 CB LYS A 115 -5.821 15.950 11.320 1.00 0.00 C ATOM 1754 CG LYS A 115 -5.942 15.277 9.975 1.00 0.00 C ATOM 1755 CD LYS A 115 -5.428 13.858 10.033 1.00 0.00 C ATOM 1756 CE LYS A 115 -6.311 12.989 10.919 1.00 0.00 C ATOM 1757 NZ LYS A 115 -7.743 13.063 10.520 1.00 0.00 N ATOM 0 H LYS A 115 -3.629 16.310 9.682 1.00 0.00 H new ATOM 0 HA LYS A 115 -4.547 17.332 12.312 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -6.098 15.237 12.097 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -6.537 16.770 11.369 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -6.984 15.277 9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -5.381 15.841 9.230 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -5.393 13.439 9.027 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.407 13.853 10.416 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.972 11.954 10.865 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -6.207 13.305 11.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -8.221 12.176 10.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -8.200 13.857 11.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -7.810 13.208 9.492 1.00 0.00 H new ATOM 1771 N GLU A 116 -4.143 14.640 13.190 1.00 0.00 N ATOM 1772 CA GLU A 116 -3.395 13.648 13.941 1.00 0.00 C ATOM 1773 C GLU A 116 -3.173 12.371 13.144 1.00 0.00 C ATOM 1774 O GLU A 116 -3.883 12.093 12.178 1.00 0.00 O ATOM 1775 CB GLU A 116 -4.135 13.326 15.238 1.00 0.00 C ATOM 1776 CG GLU A 116 -4.603 14.561 15.992 1.00 0.00 C ATOM 1777 CD GLU A 116 -6.112 14.727 15.960 1.00 0.00 C ATOM 1778 OE1 GLU A 116 -6.791 14.137 16.827 1.00 0.00 O ATOM 1779 OE2 GLU A 116 -6.609 15.445 15.069 1.00 0.00 O ATOM 0 H GLU A 116 -5.145 14.648 13.382 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.414 14.069 14.162 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.998 12.701 15.009 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -3.481 12.741 15.885 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -4.270 14.498 17.028 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -4.135 15.445 15.560 1.00 0.00 H new ATOM 1786 N PHE A 117 -2.183 11.598 13.572 1.00 0.00 N ATOM 1787 CA PHE A 117 -1.852 10.337 12.924 1.00 0.00 C ATOM 1788 C PHE A 117 -2.370 9.170 13.756 1.00 0.00 C ATOM 1789 O PHE A 117 -2.397 9.236 14.985 1.00 0.00 O ATOM 1790 CB PHE A 117 -0.339 10.207 12.727 1.00 0.00 C ATOM 1791 CG PHE A 117 0.479 10.915 13.771 1.00 0.00 C ATOM 1792 CD1 PHE A 117 0.799 10.287 14.965 1.00 0.00 C ATOM 1793 CD2 PHE A 117 0.927 12.209 13.557 1.00 0.00 C ATOM 1794 CE1 PHE A 117 1.550 10.937 15.926 1.00 0.00 C ATOM 1795 CE2 PHE A 117 1.678 12.863 14.515 1.00 0.00 C ATOM 1796 CZ PHE A 117 1.990 12.226 15.701 1.00 0.00 C ATOM 0 H PHE A 117 -1.592 11.825 14.371 1.00 0.00 H new ATOM 0 HA PHE A 117 -2.330 10.319 11.945 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -0.073 9.150 12.727 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -0.076 10.601 11.746 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.458 9.279 15.146 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.687 12.711 12.632 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.792 10.437 16.852 1.00 0.00 H new ATOM 0 HE2 PHE A 117 2.021 13.872 14.337 1.00 0.00 H new ATOM 0 HZ PHE A 117 2.577 12.736 16.451 1.00 0.00 H new ATOM 1806 N PRO A 118 -2.791 8.084 13.096 1.00 0.00 N ATOM 1807 CA PRO A 118 -3.310 6.904 13.776 1.00 0.00 C ATOM 1808 C PRO A 118 -2.206 6.007 14.304 1.00 0.00 C ATOM 1809 O PRO A 118 -1.135 5.926 13.707 1.00 0.00 O ATOM 1810 CB PRO A 118 -4.101 6.200 12.680 1.00 0.00 C ATOM 1811 CG PRO A 118 -3.402 6.558 11.417 1.00 0.00 C ATOM 1812 CD PRO A 118 -2.793 7.922 11.630 1.00 0.00 C ATOM 0 HA PRO A 118 -3.902 7.159 14.655 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -4.114 5.121 12.833 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -5.139 6.532 12.666 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -2.633 5.824 11.179 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -4.099 6.572 10.579 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -1.784 7.978 11.220 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -3.378 8.702 11.143 1.00 0.00 H new ATOM 1820 N SER A 119 -2.483 5.318 15.411 1.00 0.00 N ATOM 1821 CA SER A 119 -1.514 4.391 15.991 1.00 0.00 C ATOM 1822 C SER A 119 -1.298 3.282 14.985 1.00 0.00 C ATOM 1823 O SER A 119 -1.777 2.160 15.149 1.00 0.00 O ATOM 1824 CB SER A 119 -2.022 3.824 17.318 1.00 0.00 C ATOM 1825 OG SER A 119 -3.351 3.349 17.194 1.00 0.00 O ATOM 0 H SER A 119 -3.364 5.384 15.920 1.00 0.00 H new ATOM 0 HA SER A 119 -0.578 4.906 16.205 1.00 0.00 H new ATOM 0 HB2 SER A 119 -1.371 3.012 17.643 1.00 0.00 H new ATOM 0 HB3 SER A 119 -1.978 4.595 18.087 1.00 0.00 H new ATOM 0 HG SER A 119 -3.404 2.718 16.446 1.00 0.00 H new ATOM 1831 N ILE A 120 -0.640 3.650 13.902 1.00 0.00 N ATOM 1832 CA ILE A 120 -0.414 2.759 12.791 1.00 0.00 C ATOM 1833 C ILE A 120 0.883 3.125 12.074 1.00 0.00 C ATOM 1834 O ILE A 120 1.684 2.258 11.727 1.00 0.00 O ATOM 1835 CB ILE A 120 -1.618 2.887 11.835 1.00 0.00 C ATOM 1836 CG1 ILE A 120 -2.879 2.353 12.514 1.00 0.00 C ATOM 1837 CG2 ILE A 120 -1.378 2.179 10.522 1.00 0.00 C ATOM 1838 CD1 ILE A 120 -4.090 2.333 11.610 1.00 0.00 C ATOM 0 H ILE A 120 -0.247 4.582 13.772 1.00 0.00 H new ATOM 0 HA ILE A 120 -0.318 1.731 13.140 1.00 0.00 H new ATOM 0 HB ILE A 120 -1.752 3.944 11.606 1.00 0.00 H new ATOM 0 HG12 ILE A 120 -2.688 1.342 12.874 1.00 0.00 H new ATOM 0 HG13 ILE A 120 -3.098 2.966 13.388 1.00 0.00 H new ATOM 0 HG21 ILE A 120 -2.252 2.296 9.881 1.00 0.00 H new ATOM 0 HG22 ILE A 120 -0.506 2.611 10.030 1.00 0.00 H new ATOM 0 HG23 ILE A 120 -1.203 1.119 10.707 1.00 0.00 H new ATOM 0 HD11 ILE A 120 -4.947 1.942 12.159 1.00 0.00 H new ATOM 0 HD12 ILE A 120 -4.307 3.346 11.270 1.00 0.00 H new ATOM 0 HD13 ILE A 120 -3.890 1.696 10.748 1.00 0.00 H new ATOM 1850 N LEU A 121 1.084 4.425 11.876 1.00 0.00 N ATOM 1851 CA LEU A 121 2.287 4.930 11.225 1.00 0.00 C ATOM 1852 C LEU A 121 3.003 5.932 12.129 1.00 0.00 C ATOM 1853 O LEU A 121 3.663 6.854 11.651 1.00 0.00 O ATOM 1854 CB LEU A 121 1.949 5.581 9.874 1.00 0.00 C ATOM 1855 CG LEU A 121 0.762 6.557 9.861 1.00 0.00 C ATOM 1856 CD1 LEU A 121 -0.559 5.807 9.792 1.00 0.00 C ATOM 1857 CD2 LEU A 121 0.792 7.484 11.070 1.00 0.00 C ATOM 0 H LEU A 121 0.425 5.150 12.159 1.00 0.00 H new ATOM 0 HA LEU A 121 2.951 4.085 11.041 1.00 0.00 H new ATOM 0 HB2 LEU A 121 2.832 6.113 9.521 1.00 0.00 H new ATOM 0 HB3 LEU A 121 1.746 4.788 9.154 1.00 0.00 H new ATOM 0 HG LEU A 121 0.853 7.172 8.966 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -1.383 6.521 9.784 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -0.590 5.207 8.882 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -0.653 5.155 10.660 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -0.061 8.161 11.030 1.00 0.00 H new ATOM 0 HD22 LEU A 121 0.743 6.892 11.984 1.00 0.00 H new ATOM 0 HD23 LEU A 121 1.716 8.063 11.062 1.00 0.00 H new ATOM 1869 N ARG A 122 2.850 5.739 13.441 1.00 0.00 N ATOM 1870 CA ARG A 122 3.459 6.613 14.448 1.00 0.00 C ATOM 1871 C ARG A 122 4.817 7.156 14.004 1.00 0.00 C ATOM 1872 O ARG A 122 5.091 8.348 14.139 1.00 0.00 O ATOM 1873 CB ARG A 122 3.608 5.866 15.776 1.00 0.00 C ATOM 1874 CG ARG A 122 4.069 4.424 15.620 1.00 0.00 C ATOM 1875 CD ARG A 122 3.762 3.600 16.859 1.00 0.00 C ATOM 1876 NE ARG A 122 4.411 2.292 16.819 1.00 0.00 N ATOM 1877 CZ ARG A 122 3.997 1.234 17.513 1.00 0.00 C ATOM 1878 NH1 ARG A 122 2.938 1.325 18.309 1.00 0.00 N ATOM 1879 NH2 ARG A 122 4.644 0.081 17.411 1.00 0.00 N ATOM 0 H ARG A 122 2.302 4.974 13.835 1.00 0.00 H new ATOM 0 HA ARG A 122 2.792 7.465 14.577 1.00 0.00 H new ATOM 0 HB2 ARG A 122 4.321 6.400 16.405 1.00 0.00 H new ATOM 0 HB3 ARG A 122 2.651 5.878 16.298 1.00 0.00 H new ATOM 0 HG2 ARG A 122 3.580 3.977 14.755 1.00 0.00 H new ATOM 0 HG3 ARG A 122 5.141 4.404 15.426 1.00 0.00 H new ATOM 0 HD2 ARG A 122 4.091 4.142 17.746 1.00 0.00 H new ATOM 0 HD3 ARG A 122 2.684 3.468 16.949 1.00 0.00 H new ATOM 0 HE ARG A 122 5.231 2.183 16.223 1.00 0.00 H new ATOM 0 HH11 ARG A 122 2.436 2.209 18.391 1.00 0.00 H new ATOM 0 HH12 ARG A 122 2.626 0.511 18.838 1.00 0.00 H new ATOM 0 HH21 ARG A 122 5.458 0.005 16.801 1.00 0.00 H new ATOM 0 HH22 ARG A 122 4.328 -0.730 17.942 1.00 0.00 H new ATOM 1893 N PHE A 123 5.660 6.279 13.477 1.00 0.00 N ATOM 1894 CA PHE A 123 6.985 6.681 13.018 1.00 0.00 C ATOM 1895 C PHE A 123 7.603 5.609 12.129 1.00 0.00 C ATOM 1896 O PHE A 123 8.824 5.460 12.073 1.00 0.00 O ATOM 1897 CB PHE A 123 7.900 6.959 14.212 1.00 0.00 C ATOM 1898 CG PHE A 123 8.151 5.754 15.073 1.00 0.00 C ATOM 1899 CD1 PHE A 123 7.302 5.450 16.125 1.00 0.00 C ATOM 1900 CD2 PHE A 123 9.237 4.928 14.831 1.00 0.00 C ATOM 1901 CE1 PHE A 123 7.531 4.341 16.918 1.00 0.00 C ATOM 1902 CE2 PHE A 123 9.471 3.819 15.621 1.00 0.00 C ATOM 1903 CZ PHE A 123 8.617 3.525 16.669 1.00 0.00 C ATOM 0 H PHE A 123 5.452 5.288 13.356 1.00 0.00 H new ATOM 0 HA PHE A 123 6.876 7.594 12.432 1.00 0.00 H new ATOM 0 HB2 PHE A 123 8.854 7.339 13.847 1.00 0.00 H new ATOM 0 HB3 PHE A 123 7.457 7.745 14.823 1.00 0.00 H new ATOM 0 HD1 PHE A 123 6.453 6.086 16.327 1.00 0.00 H new ATOM 0 HD2 PHE A 123 9.908 5.154 14.016 1.00 0.00 H new ATOM 0 HE1 PHE A 123 6.860 4.113 17.733 1.00 0.00 H new ATOM 0 HE2 PHE A 123 10.320 3.182 15.421 1.00 0.00 H new ATOM 0 HZ PHE A 123 8.799 2.660 17.290 1.00 0.00 H new ATOM 1913 N ILE A 124 6.750 4.865 11.438 1.00 0.00 N ATOM 1914 CA ILE A 124 7.196 3.807 10.554 1.00 0.00 C ATOM 1915 C ILE A 124 7.580 4.360 9.183 1.00 0.00 C ATOM 1916 O ILE A 124 7.500 5.566 8.948 1.00 0.00 O ATOM 1917 CB ILE A 124 6.095 2.743 10.403 1.00 0.00 C ATOM 1918 CG1 ILE A 124 4.929 3.284 9.568 1.00 0.00 C ATOM 1919 CG2 ILE A 124 5.607 2.291 11.773 1.00 0.00 C ATOM 1920 CD1 ILE A 124 3.748 2.339 9.490 1.00 0.00 C ATOM 0 H ILE A 124 5.737 4.980 11.476 1.00 0.00 H new ATOM 0 HA ILE A 124 8.080 3.348 10.996 1.00 0.00 H new ATOM 0 HB ILE A 124 6.515 1.883 9.882 1.00 0.00 H new ATOM 0 HG12 ILE A 124 4.598 4.231 9.993 1.00 0.00 H new ATOM 0 HG13 ILE A 124 5.283 3.494 8.559 1.00 0.00 H new ATOM 0 HG21 ILE A 124 4.828 1.538 11.652 1.00 0.00 H new ATOM 0 HG22 ILE A 124 6.439 1.865 12.333 1.00 0.00 H new ATOM 0 HG23 ILE A 124 5.204 3.146 12.316 1.00 0.00 H new ATOM 0 HD11 ILE A 124 2.962 2.788 8.883 1.00 0.00 H new ATOM 0 HD12 ILE A 124 4.063 1.399 9.037 1.00 0.00 H new ATOM 0 HD13 ILE A 124 3.368 2.148 10.494 1.00 0.00 H new ATOM 1932 N THR A 125 7.995 3.475 8.281 1.00 0.00 N ATOM 1933 CA THR A 125 8.389 3.885 6.937 1.00 0.00 C ATOM 1934 C THR A 125 7.252 4.631 6.243 1.00 0.00 C ATOM 1935 O THR A 125 6.330 4.016 5.710 1.00 0.00 O ATOM 1936 CB THR A 125 8.797 2.662 6.112 1.00 0.00 C ATOM 1937 OG1 THR A 125 9.938 2.036 6.673 1.00 0.00 O ATOM 1938 CG2 THR A 125 9.116 2.984 4.667 1.00 0.00 C ATOM 0 H THR A 125 8.067 2.473 8.456 1.00 0.00 H new ATOM 0 HA THR A 125 9.242 4.559 7.020 1.00 0.00 H new ATOM 0 HB THR A 125 7.930 2.002 6.134 1.00 0.00 H new ATOM 0 HG1 THR A 125 10.182 1.256 6.133 1.00 0.00 H new ATOM 0 HG21 THR A 125 9.397 2.070 4.144 1.00 0.00 H new ATOM 0 HG22 THR A 125 8.239 3.420 4.189 1.00 0.00 H new ATOM 0 HG23 THR A 125 9.942 3.694 4.626 1.00 0.00 H new ATOM 1946 N VAL A 126 7.322 5.957 6.258 1.00 0.00 N ATOM 1947 CA VAL A 126 6.294 6.783 5.637 1.00 0.00 C ATOM 1948 C VAL A 126 6.857 7.600 4.476 1.00 0.00 C ATOM 1949 O VAL A 126 7.969 8.120 4.550 1.00 0.00 O ATOM 1950 CB VAL A 126 5.655 7.734 6.667 1.00 0.00 C ATOM 1951 CG1 VAL A 126 6.655 8.786 7.130 1.00 0.00 C ATOM 1952 CG2 VAL A 126 4.409 8.387 6.091 1.00 0.00 C ATOM 0 H VAL A 126 8.080 6.483 6.693 1.00 0.00 H new ATOM 0 HA VAL A 126 5.532 6.106 5.250 1.00 0.00 H new ATOM 0 HB VAL A 126 5.361 7.146 7.536 1.00 0.00 H new ATOM 0 HG11 VAL A 126 6.180 9.445 7.857 1.00 0.00 H new ATOM 0 HG12 VAL A 126 7.512 8.295 7.591 1.00 0.00 H new ATOM 0 HG13 VAL A 126 6.990 9.372 6.274 1.00 0.00 H new ATOM 0 HG21 VAL A 126 3.972 9.055 6.833 1.00 0.00 H new ATOM 0 HG22 VAL A 126 4.675 8.958 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 126 3.685 7.617 5.825 1.00 0.00 H new ATOM 1962 N CYS A 127 6.075 7.709 3.405 1.00 0.00 N ATOM 1963 CA CYS A 127 6.487 8.466 2.230 1.00 0.00 C ATOM 1964 C CYS A 127 5.661 9.741 2.089 1.00 0.00 C ATOM 1965 O CYS A 127 4.565 9.723 1.527 1.00 0.00 O ATOM 1966 CB CYS A 127 6.345 7.610 0.970 1.00 0.00 C ATOM 1967 SG CYS A 127 7.708 7.794 -0.204 1.00 0.00 S ATOM 0 H CYS A 127 5.152 7.282 3.328 1.00 0.00 H new ATOM 0 HA CYS A 127 7.534 8.744 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 127 6.270 6.562 1.262 1.00 0.00 H new ATOM 0 HB3 CYS A 127 5.412 7.870 0.470 1.00 0.00 H new ATOM 0 HG CYS A 127 7.365 8.629 -1.139 1.00 0.00 H new ATOM 1973 N ASP A 128 6.192 10.844 2.605 1.00 0.00 N ATOM 1974 CA ASP A 128 5.505 12.129 2.540 1.00 0.00 C ATOM 1975 C ASP A 128 6.219 13.081 1.586 1.00 0.00 C ATOM 1976 O ASP A 128 7.448 13.124 1.541 1.00 0.00 O ATOM 1977 CB ASP A 128 5.413 12.763 3.932 1.00 0.00 C ATOM 1978 CG ASP A 128 6.565 12.372 4.840 1.00 0.00 C ATOM 1979 OD1 ASP A 128 7.729 12.616 4.457 1.00 0.00 O ATOM 1980 OD2 ASP A 128 6.304 11.823 5.930 1.00 0.00 O ATOM 0 H ASP A 128 7.097 10.874 3.074 1.00 0.00 H new ATOM 0 HA ASP A 128 4.498 11.949 2.165 1.00 0.00 H new ATOM 0 HB2 ASP A 128 5.390 13.848 3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 128 4.473 12.467 4.399 1.00 0.00 H new ATOM 1985 N TYR A 129 5.439 13.847 0.830 1.00 0.00 N ATOM 1986 CA TYR A 129 6.003 14.800 -0.119 1.00 0.00 C ATOM 1987 C TYR A 129 6.409 16.082 0.592 1.00 0.00 C ATOM 1988 O TYR A 129 5.669 17.067 0.596 1.00 0.00 O ATOM 1989 CB TYR A 129 5.001 15.113 -1.231 1.00 0.00 C ATOM 1990 CG TYR A 129 4.771 13.961 -2.187 1.00 0.00 C ATOM 1991 CD1 TYR A 129 4.414 12.702 -1.718 1.00 0.00 C ATOM 1992 CD2 TYR A 129 4.911 14.133 -3.559 1.00 0.00 C ATOM 1993 CE1 TYR A 129 4.206 11.648 -2.588 1.00 0.00 C ATOM 1994 CE2 TYR A 129 4.703 13.084 -4.435 1.00 0.00 C ATOM 1995 CZ TYR A 129 4.350 11.843 -3.944 1.00 0.00 C ATOM 1996 OH TYR A 129 4.142 10.794 -4.812 1.00 0.00 O ATOM 0 H TYR A 129 4.420 13.827 0.856 1.00 0.00 H new ATOM 0 HA TYR A 129 6.889 14.350 -0.566 1.00 0.00 H new ATOM 0 HB2 TYR A 129 4.049 15.395 -0.781 1.00 0.00 H new ATOM 0 HB3 TYR A 129 5.356 15.976 -1.795 1.00 0.00 H new ATOM 0 HD1 TYR A 129 4.297 12.545 -0.656 1.00 0.00 H new ATOM 0 HD2 TYR A 129 5.187 15.102 -3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 129 3.932 10.676 -2.206 1.00 0.00 H new ATOM 0 HE2 TYR A 129 4.816 13.235 -5.498 1.00 0.00 H new ATOM 0 HH TYR A 129 3.209 10.798 -5.112 1.00 0.00 H new ATOM 2006 N THR A 130 7.597 16.066 1.185 1.00 0.00 N ATOM 2007 CA THR A 130 8.115 17.232 1.892 1.00 0.00 C ATOM 2008 C THR A 130 8.961 18.069 0.950 1.00 0.00 C ATOM 2009 O THR A 130 8.953 19.300 1.004 1.00 0.00 O ATOM 2010 CB THR A 130 8.947 16.798 3.101 1.00 0.00 C ATOM 2011 OG1 THR A 130 10.201 16.285 2.689 1.00 0.00 O ATOM 2012 CG2 THR A 130 8.271 15.737 3.943 1.00 0.00 C ATOM 0 H THR A 130 8.220 15.258 1.191 1.00 0.00 H new ATOM 0 HA THR A 130 7.276 17.830 2.247 1.00 0.00 H new ATOM 0 HB THR A 130 9.068 17.697 3.706 1.00 0.00 H new ATOM 0 HG1 THR A 130 10.718 16.015 3.476 1.00 0.00 H new ATOM 0 HG21 THR A 130 8.914 15.475 4.783 1.00 0.00 H new ATOM 0 HG22 THR A 130 7.322 16.120 4.318 1.00 0.00 H new ATOM 0 HG23 THR A 130 8.089 14.851 3.335 1.00 0.00 H new ATOM 2020 N ASN A 131 9.675 17.382 0.070 1.00 0.00 N ATOM 2021 CA ASN A 131 10.522 18.029 -0.916 1.00 0.00 C ATOM 2022 C ASN A 131 10.633 17.153 -2.161 1.00 0.00 C ATOM 2023 O ASN A 131 11.733 16.857 -2.626 1.00 0.00 O ATOM 2024 CB ASN A 131 11.911 18.298 -0.332 1.00 0.00 C ATOM 2025 CG ASN A 131 11.982 19.621 0.405 1.00 0.00 C ATOM 2026 OD1 ASN A 131 11.860 20.688 -0.197 1.00 0.00 O ATOM 2027 ND2 ASN A 131 12.183 19.557 1.715 1.00 0.00 N ATOM 0 H ASN A 131 9.682 16.363 0.021 1.00 0.00 H new ATOM 0 HA ASN A 131 10.073 18.983 -1.193 1.00 0.00 H new ATOM 0 HB2 ASN A 131 12.178 17.491 0.350 1.00 0.00 H new ATOM 0 HB3 ASN A 131 12.647 18.293 -1.136 1.00 0.00 H new ATOM 0 HD21 ASN A 131 12.242 20.414 2.264 1.00 0.00 H new ATOM 0 HD22 ASN A 131 12.278 18.650 2.173 1.00 0.00 H new ATOM 2034 N PRO A 132 9.484 16.721 -2.721 1.00 0.00 N ATOM 2035 CA PRO A 132 9.459 15.873 -3.914 1.00 0.00 C ATOM 2036 C PRO A 132 10.432 16.357 -4.973 1.00 0.00 C ATOM 2037 O PRO A 132 10.995 15.566 -5.728 1.00 0.00 O ATOM 2038 CB PRO A 132 8.024 16.011 -4.410 1.00 0.00 C ATOM 2039 CG PRO A 132 7.229 16.250 -3.178 1.00 0.00 C ATOM 2040 CD PRO A 132 8.121 17.024 -2.241 1.00 0.00 C ATOM 0 HA PRO A 132 9.753 14.846 -3.698 1.00 0.00 H new ATOM 0 HB2 PRO A 132 7.925 16.837 -5.114 1.00 0.00 H new ATOM 0 HB3 PRO A 132 7.694 15.110 -4.927 1.00 0.00 H new ATOM 0 HG2 PRO A 132 6.322 16.811 -3.403 1.00 0.00 H new ATOM 0 HG3 PRO A 132 6.917 15.308 -2.728 1.00 0.00 H new ATOM 0 HD2 PRO A 132 7.911 18.093 -2.281 1.00 0.00 H new ATOM 0 HD3 PRO A 132 7.982 16.710 -1.206 1.00 0.00 H new ATOM 2048 N CYS A 133 10.622 17.669 -5.011 1.00 0.00 N ATOM 2049 CA CYS A 133 11.534 18.294 -5.969 1.00 0.00 C ATOM 2050 C CYS A 133 12.809 17.468 -6.125 1.00 0.00 C ATOM 2051 O CYS A 133 13.382 17.385 -7.210 1.00 0.00 O ATOM 2052 CB CYS A 133 11.884 19.715 -5.517 1.00 0.00 C ATOM 2053 SG CYS A 133 11.913 20.929 -6.857 1.00 0.00 S ATOM 0 H CYS A 133 10.155 18.327 -4.387 1.00 0.00 H new ATOM 0 HA CYS A 133 11.032 18.340 -6.936 1.00 0.00 H new ATOM 0 HB2 CYS A 133 11.161 20.035 -4.767 1.00 0.00 H new ATOM 0 HB3 CYS A 133 12.860 19.701 -5.033 1.00 0.00 H new ATOM 0 HG CYS A 133 12.216 22.098 -6.377 1.00 0.00 H new ATOM 2059 N THR A 134 13.236 16.850 -5.028 1.00 0.00 N ATOM 2060 CA THR A 134 14.431 16.015 -5.029 1.00 0.00 C ATOM 2061 C THR A 134 14.095 14.592 -4.591 1.00 0.00 C ATOM 2062 O THR A 134 14.715 13.629 -5.043 1.00 0.00 O ATOM 2063 CB THR A 134 15.499 16.609 -4.111 1.00 0.00 C ATOM 2064 OG1 THR A 134 15.109 16.502 -2.753 1.00 0.00 O ATOM 2065 CG2 THR A 134 15.786 18.067 -4.392 1.00 0.00 C ATOM 0 H THR A 134 12.769 16.913 -4.123 1.00 0.00 H new ATOM 0 HA THR A 134 14.822 15.982 -6.046 1.00 0.00 H new ATOM 0 HB THR A 134 16.403 16.033 -4.309 1.00 0.00 H new ATOM 0 HG1 THR A 134 15.806 16.886 -2.181 1.00 0.00 H new ATOM 0 HG21 THR A 134 16.553 18.426 -3.705 1.00 0.00 H new ATOM 0 HG22 THR A 134 16.137 18.178 -5.418 1.00 0.00 H new ATOM 0 HG23 THR A 134 14.875 18.650 -4.255 1.00 0.00 H new ATOM 2073 N LYS A 135 13.102 14.469 -3.716 1.00 0.00 N ATOM 2074 CA LYS A 135 12.668 13.169 -3.221 1.00 0.00 C ATOM 2075 C LYS A 135 11.847 12.423 -4.275 1.00 0.00 C ATOM 2076 O LYS A 135 11.457 11.276 -4.066 1.00 0.00 O ATOM 2077 CB LYS A 135 11.844 13.338 -1.943 1.00 0.00 C ATOM 2078 CG LYS A 135 12.679 13.319 -0.673 1.00 0.00 C ATOM 2079 CD LYS A 135 11.804 13.242 0.569 1.00 0.00 C ATOM 2080 CE LYS A 135 12.004 11.932 1.314 1.00 0.00 C ATOM 2081 NZ LYS A 135 12.027 12.129 2.790 1.00 0.00 N ATOM 0 H LYS A 135 12.581 15.258 -3.334 1.00 0.00 H new ATOM 0 HA LYS A 135 13.558 12.579 -3.000 1.00 0.00 H new ATOM 0 HB2 LYS A 135 11.298 14.280 -1.995 1.00 0.00 H new ATOM 0 HB3 LYS A 135 11.102 12.542 -1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 135 13.357 12.466 -0.695 1.00 0.00 H new ATOM 0 HG3 LYS A 135 13.297 14.216 -0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 135 12.036 14.077 1.231 1.00 0.00 H new ATOM 0 HD3 LYS A 135 10.757 13.343 0.284 1.00 0.00 H new ATOM 0 HE2 LYS A 135 11.203 11.240 1.053 1.00 0.00 H new ATOM 0 HE3 LYS A 135 12.939 11.472 0.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 135 12.165 11.212 3.261 1.00 0.00 H new ATOM 0 HZ2 LYS A 135 12.807 12.769 3.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 135 11.125 12.544 3.099 1.00 0.00 H new ATOM 2095 N SER A 136 11.581 13.087 -5.404 1.00 0.00 N ATOM 2096 CA SER A 136 10.798 12.498 -6.493 1.00 0.00 C ATOM 2097 C SER A 136 11.163 11.032 -6.739 1.00 0.00 C ATOM 2098 O SER A 136 10.337 10.254 -7.218 1.00 0.00 O ATOM 2099 CB SER A 136 10.996 13.301 -7.779 1.00 0.00 C ATOM 2100 OG SER A 136 12.271 13.051 -8.346 1.00 0.00 O ATOM 0 H SER A 136 11.899 14.039 -5.587 1.00 0.00 H new ATOM 0 HA SER A 136 9.751 12.533 -6.193 1.00 0.00 H new ATOM 0 HB2 SER A 136 10.218 13.041 -8.497 1.00 0.00 H new ATOM 0 HB3 SER A 136 10.891 14.365 -7.567 1.00 0.00 H new ATOM 0 HG SER A 136 12.372 13.575 -9.168 1.00 0.00 H new ATOM 2106 N TRP A 137 12.397 10.662 -6.414 1.00 0.00 N ATOM 2107 CA TRP A 137 12.860 9.291 -6.605 1.00 0.00 C ATOM 2108 C TRP A 137 12.076 8.301 -5.740 1.00 0.00 C ATOM 2109 O TRP A 137 12.218 7.089 -5.898 1.00 0.00 O ATOM 2110 CB TRP A 137 14.352 9.184 -6.287 1.00 0.00 C ATOM 2111 CG TRP A 137 15.217 9.996 -7.204 1.00 0.00 C ATOM 2112 CD1 TRP A 137 15.319 11.357 -7.246 1.00 0.00 C ATOM 2113 CD2 TRP A 137 16.101 9.496 -8.212 1.00 0.00 C ATOM 2114 NE1 TRP A 137 16.211 11.733 -8.218 1.00 0.00 N ATOM 2115 CE2 TRP A 137 16.706 10.608 -8.826 1.00 0.00 C ATOM 2116 CE3 TRP A 137 16.441 8.214 -8.655 1.00 0.00 C ATOM 2117 CZ2 TRP A 137 17.631 10.477 -9.858 1.00 0.00 C ATOM 2118 CZ3 TRP A 137 17.360 8.087 -9.680 1.00 0.00 C ATOM 2119 CH2 TRP A 137 17.946 9.212 -10.272 1.00 0.00 C ATOM 0 H TRP A 137 13.095 11.291 -6.017 1.00 0.00 H new ATOM 0 HA TRP A 137 12.691 9.034 -7.651 1.00 0.00 H new ATOM 0 HB2 TRP A 137 14.521 9.507 -5.260 1.00 0.00 H new ATOM 0 HB3 TRP A 137 14.654 8.138 -6.346 1.00 0.00 H new ATOM 0 HD1 TRP A 137 14.777 12.038 -6.607 1.00 0.00 H new ATOM 0 HE1 TRP A 137 16.465 12.693 -8.451 1.00 0.00 H new ATOM 0 HE3 TRP A 137 15.994 7.340 -8.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 137 18.084 11.344 -10.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 137 17.631 7.102 -10.030 1.00 0.00 H new ATOM 0 HH2 TRP A 137 18.660 9.079 -11.071 1.00 0.00 H new ATOM 2130 N PHE A 138 11.251 8.813 -4.823 1.00 0.00 N ATOM 2131 CA PHE A 138 10.462 7.957 -3.945 1.00 0.00 C ATOM 2132 C PHE A 138 9.738 6.867 -4.733 1.00 0.00 C ATOM 2133 O PHE A 138 9.452 5.794 -4.202 1.00 0.00 O ATOM 2134 CB PHE A 138 9.456 8.795 -3.155 1.00 0.00 C ATOM 2135 CG PHE A 138 8.619 9.713 -4.003 1.00 0.00 C ATOM 2136 CD1 PHE A 138 7.714 9.201 -4.919 1.00 0.00 C ATOM 2137 CD2 PHE A 138 8.733 11.088 -3.876 1.00 0.00 C ATOM 2138 CE1 PHE A 138 6.942 10.044 -5.695 1.00 0.00 C ATOM 2139 CE2 PHE A 138 7.962 11.936 -4.649 1.00 0.00 C ATOM 2140 CZ PHE A 138 7.065 11.413 -5.560 1.00 0.00 C ATOM 0 H PHE A 138 11.115 9.813 -4.672 1.00 0.00 H new ATOM 0 HA PHE A 138 11.145 7.470 -3.249 1.00 0.00 H new ATOM 0 HB2 PHE A 138 8.796 8.126 -2.603 1.00 0.00 H new ATOM 0 HB3 PHE A 138 9.995 9.390 -2.418 1.00 0.00 H new ATOM 0 HD1 PHE A 138 7.611 8.131 -5.027 1.00 0.00 H new ATOM 0 HD2 PHE A 138 9.432 11.502 -3.165 1.00 0.00 H new ATOM 0 HE1 PHE A 138 6.242 9.632 -6.407 1.00 0.00 H new ATOM 0 HE2 PHE A 138 8.061 13.006 -4.541 1.00 0.00 H new ATOM 0 HZ PHE A 138 6.461 12.073 -6.165 1.00 0.00 H new ATOM 2150 N TRP A 139 9.452 7.141 -6.004 1.00 0.00 N ATOM 2151 CA TRP A 139 8.772 6.173 -6.857 1.00 0.00 C ATOM 2152 C TRP A 139 9.551 4.862 -6.900 1.00 0.00 C ATOM 2153 O TRP A 139 8.970 3.781 -7.004 1.00 0.00 O ATOM 2154 CB TRP A 139 8.612 6.731 -8.274 1.00 0.00 C ATOM 2155 CG TRP A 139 7.296 7.411 -8.517 1.00 0.00 C ATOM 2156 CD1 TRP A 139 6.233 7.488 -7.659 1.00 0.00 C ATOM 2157 CD2 TRP A 139 6.904 8.113 -9.702 1.00 0.00 C ATOM 2158 NE1 TRP A 139 5.208 8.193 -8.241 1.00 0.00 N ATOM 2159 CE2 TRP A 139 5.594 8.588 -9.494 1.00 0.00 C ATOM 2160 CE3 TRP A 139 7.533 8.386 -10.921 1.00 0.00 C ATOM 2161 CZ2 TRP A 139 4.905 9.320 -10.458 1.00 0.00 C ATOM 2162 CZ3 TRP A 139 6.847 9.112 -11.877 1.00 0.00 C ATOM 2163 CH2 TRP A 139 5.545 9.572 -11.640 1.00 0.00 C ATOM 0 H TRP A 139 9.680 8.023 -6.463 1.00 0.00 H new ATOM 0 HA TRP A 139 7.784 5.982 -6.439 1.00 0.00 H new ATOM 0 HB2 TRP A 139 9.417 7.440 -8.467 1.00 0.00 H new ATOM 0 HB3 TRP A 139 8.726 5.916 -8.989 1.00 0.00 H new ATOM 0 HD1 TRP A 139 6.204 7.057 -6.669 1.00 0.00 H new ATOM 0 HE1 TRP A 139 4.305 8.390 -7.810 1.00 0.00 H new ATOM 0 HE3 TRP A 139 8.537 8.036 -11.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 139 3.901 9.676 -10.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 139 7.323 9.328 -12.822 1.00 0.00 H new ATOM 0 HH2 TRP A 139 5.036 10.137 -12.407 1.00 0.00 H new ATOM 2174 N THR A 140 10.873 4.969 -6.812 1.00 0.00 N ATOM 2175 CA THR A 140 11.742 3.799 -6.834 1.00 0.00 C ATOM 2176 C THR A 140 11.807 3.152 -5.454 1.00 0.00 C ATOM 2177 O THR A 140 11.810 1.927 -5.332 1.00 0.00 O ATOM 2178 CB THR A 140 13.147 4.195 -7.295 1.00 0.00 C ATOM 2179 OG1 THR A 140 13.111 4.725 -8.609 1.00 0.00 O ATOM 2180 CG2 THR A 140 14.130 3.045 -7.292 1.00 0.00 C ATOM 0 H THR A 140 11.367 5.857 -6.725 1.00 0.00 H new ATOM 0 HA THR A 140 11.328 3.075 -7.536 1.00 0.00 H new ATOM 0 HB THR A 140 13.486 4.940 -6.575 1.00 0.00 H new ATOM 0 HG1 THR A 140 14.017 4.974 -8.886 1.00 0.00 H new ATOM 0 HG21 THR A 140 15.104 3.398 -7.630 1.00 0.00 H new ATOM 0 HG22 THR A 140 14.219 2.645 -6.282 1.00 0.00 H new ATOM 0 HG23 THR A 140 13.776 2.262 -7.962 1.00 0.00 H new ATOM 2188 N ARG A 141 11.857 3.983 -4.417 1.00 0.00 N ATOM 2189 CA ARG A 141 11.919 3.493 -3.045 1.00 0.00 C ATOM 2190 C ARG A 141 10.733 2.584 -2.741 1.00 0.00 C ATOM 2191 O ARG A 141 10.875 1.565 -2.064 1.00 0.00 O ATOM 2192 CB ARG A 141 11.944 4.666 -2.062 1.00 0.00 C ATOM 2193 CG ARG A 141 13.261 5.423 -2.052 1.00 0.00 C ATOM 2194 CD ARG A 141 14.314 4.701 -1.224 1.00 0.00 C ATOM 2195 NE ARG A 141 14.370 5.200 0.147 1.00 0.00 N ATOM 2196 CZ ARG A 141 14.820 6.408 0.480 1.00 0.00 C ATOM 2197 NH1 ARG A 141 15.256 7.242 -0.456 1.00 0.00 N ATOM 2198 NH2 ARG A 141 14.835 6.781 1.752 1.00 0.00 N ATOM 0 H ARG A 141 11.856 4.999 -4.502 1.00 0.00 H new ATOM 0 HA ARG A 141 12.836 2.915 -2.932 1.00 0.00 H new ATOM 0 HB2 ARG A 141 11.139 5.357 -2.313 1.00 0.00 H new ATOM 0 HB3 ARG A 141 11.742 4.292 -1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 141 13.620 5.543 -3.074 1.00 0.00 H new ATOM 0 HG3 ARG A 141 13.103 6.424 -1.649 1.00 0.00 H new ATOM 0 HD2 ARG A 141 14.096 3.633 -1.212 1.00 0.00 H new ATOM 0 HD3 ARG A 141 15.290 4.822 -1.694 1.00 0.00 H new ATOM 0 HE ARG A 141 14.045 4.587 0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 141 15.247 6.959 -1.436 1.00 0.00 H new ATOM 0 HH12 ARG A 141 15.600 8.166 -0.195 1.00 0.00 H new ATOM 0 HH21 ARG A 141 14.502 6.143 2.475 1.00 0.00 H new ATOM 0 HH22 ARG A 141 15.180 7.706 2.008 1.00 0.00 H new ATOM 2212 N LEU A 142 9.563 2.959 -3.249 1.00 0.00 N ATOM 2213 CA LEU A 142 8.351 2.176 -3.037 1.00 0.00 C ATOM 2214 C LEU A 142 8.305 0.991 -3.995 1.00 0.00 C ATOM 2215 O LEU A 142 7.849 -0.094 -3.637 1.00 0.00 O ATOM 2216 CB LEU A 142 7.113 3.054 -3.228 1.00 0.00 C ATOM 2217 CG LEU A 142 5.800 2.448 -2.722 1.00 0.00 C ATOM 2218 CD1 LEU A 142 5.352 1.310 -3.626 1.00 0.00 C ATOM 2219 CD2 LEU A 142 5.955 1.963 -1.288 1.00 0.00 C ATOM 0 H LEU A 142 9.429 3.800 -3.810 1.00 0.00 H new ATOM 0 HA LEU A 142 8.361 1.797 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 142 7.278 4.003 -2.717 1.00 0.00 H new ATOM 0 HB3 LEU A 142 7.006 3.278 -4.289 1.00 0.00 H new ATOM 0 HG LEU A 142 5.034 3.223 -2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 142 4.418 0.893 -3.250 1.00 0.00 H new ATOM 0 HD12 LEU A 142 5.200 1.687 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 142 6.117 0.533 -3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 142 5.013 1.536 -0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 142 6.736 1.204 -1.243 1.00 0.00 H new ATOM 0 HD23 LEU A 142 6.228 2.802 -0.648 1.00 0.00 H new ATOM 2231 N ALA A 143 8.781 1.211 -5.216 1.00 0.00 N ATOM 2232 CA ALA A 143 8.797 0.164 -6.229 1.00 0.00 C ATOM 2233 C ALA A 143 9.776 -0.946 -5.860 1.00 0.00 C ATOM 2234 O ALA A 143 9.586 -2.103 -6.233 1.00 0.00 O ATOM 2235 CB ALA A 143 9.150 0.752 -7.587 1.00 0.00 C ATOM 0 H ALA A 143 9.161 2.105 -5.527 1.00 0.00 H new ATOM 0 HA ALA A 143 7.799 -0.272 -6.281 1.00 0.00 H new ATOM 0 HB1 ALA A 143 9.159 -0.040 -8.335 1.00 0.00 H new ATOM 0 HB2 ALA A 143 8.409 1.503 -7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 143 10.135 1.215 -7.538 1.00 0.00 H new ATOM 2241 N LYS A 144 10.824 -0.585 -5.125 1.00 0.00 N ATOM 2242 CA LYS A 144 11.833 -1.551 -4.706 1.00 0.00 C ATOM 2243 C LYS A 144 11.489 -2.151 -3.345 1.00 0.00 C ATOM 2244 O LYS A 144 11.911 -3.260 -3.022 1.00 0.00 O ATOM 2245 CB LYS A 144 13.213 -0.890 -4.652 1.00 0.00 C ATOM 2246 CG LYS A 144 13.328 0.192 -3.590 1.00 0.00 C ATOM 2247 CD LYS A 144 14.491 -0.072 -2.644 1.00 0.00 C ATOM 2248 CE LYS A 144 14.094 -1.012 -1.515 1.00 0.00 C ATOM 2249 NZ LYS A 144 14.347 -0.408 -0.177 1.00 0.00 N ATOM 0 H LYS A 144 10.996 0.369 -4.808 1.00 0.00 H new ATOM 0 HA LYS A 144 11.851 -2.356 -5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 144 13.966 -1.655 -4.462 1.00 0.00 H new ATOM 0 HB3 LYS A 144 13.437 -0.456 -5.627 1.00 0.00 H new ATOM 0 HG2 LYS A 144 13.462 1.161 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 144 12.400 0.244 -3.021 1.00 0.00 H new ATOM 0 HD2 LYS A 144 15.323 -0.503 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 144 14.842 0.872 -2.226 1.00 0.00 H new ATOM 0 HE2 LYS A 144 13.037 -1.264 -1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 144 14.652 -1.944 -1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 144 14.064 -1.079 0.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 144 15.359 -0.191 -0.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 144 13.795 0.468 -0.081 1.00 0.00 H new ATOM 2263 N ALA A 145 10.723 -1.410 -2.549 1.00 0.00 N ATOM 2264 CA ALA A 145 10.326 -1.872 -1.226 1.00 0.00 C ATOM 2265 C ALA A 145 9.131 -2.819 -1.303 1.00 0.00 C ATOM 2266 O ALA A 145 8.864 -3.573 -0.366 1.00 0.00 O ATOM 2267 CB ALA A 145 10.003 -0.686 -0.328 1.00 0.00 C ATOM 0 H ALA A 145 10.366 -0.488 -2.799 1.00 0.00 H new ATOM 0 HA ALA A 145 11.163 -2.424 -0.798 1.00 0.00 H new ATOM 0 HB1 ALA A 145 9.708 -1.046 0.658 1.00 0.00 H new ATOM 0 HB2 ALA A 145 10.884 -0.051 -0.234 1.00 0.00 H new ATOM 0 HB3 ALA A 145 9.186 -0.111 -0.764 1.00 0.00 H new ATOM 2273 N LEU A 146 8.415 -2.775 -2.422 1.00 0.00 N ATOM 2274 CA LEU A 146 7.252 -3.631 -2.615 1.00 0.00 C ATOM 2275 C LEU A 146 7.662 -4.978 -3.204 1.00 0.00 C ATOM 2276 O LEU A 146 7.006 -5.994 -2.973 1.00 0.00 O ATOM 2277 CB LEU A 146 6.233 -2.945 -3.530 1.00 0.00 C ATOM 2278 CG LEU A 146 4.897 -2.600 -2.868 1.00 0.00 C ATOM 2279 CD1 LEU A 146 5.117 -1.756 -1.620 1.00 0.00 C ATOM 2280 CD2 LEU A 146 3.988 -1.876 -3.851 1.00 0.00 C ATOM 0 H LEU A 146 8.620 -2.157 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 146 6.793 -3.806 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 146 6.676 -2.028 -3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 146 6.041 -3.593 -4.385 1.00 0.00 H new ATOM 0 HG LEU A 146 4.412 -3.529 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 146 4.155 -1.522 -1.165 1.00 0.00 H new ATOM 0 HD12 LEU A 146 5.729 -2.311 -0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 146 5.625 -0.830 -1.892 1.00 0.00 H new ATOM 0 HD21 LEU A 146 3.042 -1.638 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 146 4.469 -0.955 -4.180 1.00 0.00 H new ATOM 0 HD23 LEU A 146 3.801 -2.516 -4.713 1.00 0.00 H new ATOM 2292 N SER A 147 8.752 -4.976 -3.964 1.00 0.00 N ATOM 2293 CA SER A 147 9.253 -6.194 -4.587 1.00 0.00 C ATOM 2294 C SER A 147 10.754 -6.338 -4.355 1.00 0.00 C ATOM 2295 O SER A 147 11.522 -6.563 -5.292 1.00 0.00 O ATOM 2296 CB SER A 147 8.949 -6.189 -6.085 1.00 0.00 C ATOM 2297 OG SER A 147 8.534 -7.471 -6.526 1.00 0.00 O ATOM 0 H SER A 147 9.306 -4.143 -4.163 1.00 0.00 H new ATOM 0 HA SER A 147 8.749 -7.045 -4.129 1.00 0.00 H new ATOM 0 HB2 SER A 147 8.170 -5.458 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 147 9.836 -5.880 -6.638 1.00 0.00 H new ATOM 0 HG SER A 147 8.344 -7.441 -7.487 1.00 0.00 H new