USER MOD reduce.3.24.130724 H: found=0, std=0, add=781, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 781 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 52 THR OG1 : rot -101:sc= 1.13 USER MOD Set 1.2: A 54 LYS NZ :NH3+ 179:sc= 0.605! (180deg=0.145) USER MOD Set 2.1: A 33 ASN : amide:sc= -0.996 K(o=-0.4,f=-21!) USER MOD Set 2.2: A 62 LYS NZ :NH3+ -131:sc= 0.6! (180deg=0) USER MOD Set 3.1: A 23 GLN : amide:sc= -0.988 K(o=-3.4,f=-8.1!) USER MOD Set 3.2: A 26 GLN : amide:sc= -2.41 K(o=-3.4,f=-10!) USER MOD Set 4.1: A 16 HIS : no HE2:sc= -11.8! C(o=-12!,f=-11!) USER MOD Set 4.2: A 38 THR OG1 : rot -10:sc= 0.136 USER MOD Set 5.1: A 3 THR OG1 : rot 140:sc= -2.4! USER MOD Set 5.2: A 20 THR OG1 : rot 47:sc= 0.346 USER MOD Single : A 1 SER N :NH3+ -149:sc= 0.511 (180deg=0.103) USER MOD Single : A 1 SER OG : rot 180:sc= 0.218 USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 5 ASN : amide:sc= -0.111 K(o=-0.11,f=-1.5) USER MOD Single : A 14 ASN : amide:sc= -5.32! C(o=-5.3!,f=-13!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -158:sc= -1.66 (180deg=-1.8) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 ASN :FLIP amide:sc= -0.0892 F(o=-1.2,f=-0.089) USER MOD Single : A 53 LYS NZ :NH3+ -177:sc= 0.625 (180deg=0.564) USER MOD Single : A 56 HIS :FLIP no HE2:sc= -8.58! C(o=-12!,f=-8.6!) USER MOD Single : A 59 LYS NZ :NH3+ -155:sc= 0 (180deg=-0.981) USER MOD Single : A 69 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.0223) USER MOD Single : A 70 ASN : amide:sc= -9.62! C(o=-9.6!,f=-19!) USER MOD Single : A 75 MET CE :methyl 165:sc= 0 (180deg=-0.18) USER MOD Single : A 78 LYS NZ :NH3+ 157:sc= 0.741 (180deg=0.349!) USER MOD Single : A 80 SER OG : rot 180:sc= -2.24! USER MOD Single : A 81 LYS NZ :NH3+ -144:sc= -2.83! (180deg=-5.47!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 162:sc= -0.688 (180deg=-1.53) USER MOD Single : A 91 LYS NZ :NH3+ 152:sc= 0.964 (180deg=-0.735!) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 17.566 -0.776 -9.704 1.00 0.00 N ATOM 2 CA SER A 1 18.667 -0.616 -8.707 1.00 0.00 C ATOM 3 C SER A 1 18.186 -1.042 -7.311 1.00 0.00 C ATOM 4 O SER A 1 18.499 -2.121 -6.848 1.00 0.00 O ATOM 5 CB SER A 1 19.014 0.876 -8.733 1.00 0.00 C ATOM 6 OG SER A 1 17.828 1.627 -8.980 1.00 0.00 O ATOM 0 H1 SER A 1 17.971 -1.005 -10.634 1.00 0.00 H new ATOM 0 H2 SER A 1 16.934 -1.545 -9.403 1.00 0.00 H new ATOM 0 H3 SER A 1 17.026 0.110 -9.770 1.00 0.00 H new ATOM 0 HA SER A 1 19.532 -1.236 -8.942 1.00 0.00 H new ATOM 0 HB2 SER A 1 19.458 1.175 -7.783 1.00 0.00 H new ATOM 0 HB3 SER A 1 19.754 1.076 -9.508 1.00 0.00 H new ATOM 0 HG SER A 1 18.043 2.583 -8.996 1.00 0.00 H new ATOM 14 N ASN A 2 17.422 -0.210 -6.644 1.00 0.00 N ATOM 15 CA ASN A 2 16.918 -0.577 -5.286 1.00 0.00 C ATOM 16 C ASN A 2 15.395 -0.437 -5.239 1.00 0.00 C ATOM 17 O ASN A 2 14.860 0.647 -5.369 1.00 0.00 O ATOM 18 CB ASN A 2 17.579 0.414 -4.325 1.00 0.00 C ATOM 19 CG ASN A 2 17.742 -0.241 -2.951 1.00 0.00 C ATOM 20 OD1 ASN A 2 16.853 -0.927 -2.485 1.00 0.00 O ATOM 21 ND2 ASN A 2 18.845 -0.059 -2.276 1.00 0.00 N ATOM 0 H ASN A 2 17.127 0.706 -6.982 1.00 0.00 H new ATOM 0 HA ASN A 2 17.155 -1.608 -5.024 1.00 0.00 H new ATOM 0 HB2 ASN A 2 18.551 0.719 -4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 2 16.972 1.315 -4.241 1.00 0.00 H new ATOM 0 HD21 ASN A 2 18.959 -0.492 -1.360 1.00 0.00 H new ATOM 0 HD22 ASN A 2 19.592 0.516 -2.665 1.00 0.00 H new ATOM 28 N THR A 3 14.693 -1.529 -5.066 1.00 0.00 N ATOM 29 CA THR A 3 13.200 -1.464 -5.018 1.00 0.00 C ATOM 30 C THR A 3 12.629 -2.748 -4.395 1.00 0.00 C ATOM 31 O THR A 3 13.349 -3.695 -4.128 1.00 0.00 O ATOM 32 CB THR A 3 12.758 -1.314 -6.482 1.00 0.00 C ATOM 33 OG1 THR A 3 11.341 -1.328 -6.553 1.00 0.00 O ATOM 34 CG2 THR A 3 13.321 -2.463 -7.326 1.00 0.00 C ATOM 0 H THR A 3 15.089 -2.462 -4.956 1.00 0.00 H new ATOM 0 HA THR A 3 12.841 -0.637 -4.405 1.00 0.00 H new ATOM 0 HB THR A 3 13.137 -0.369 -6.870 1.00 0.00 H new ATOM 0 HG1 THR A 3 11.040 -0.664 -7.208 1.00 0.00 H new ATOM 0 HG21 THR A 3 13.001 -2.345 -8.361 1.00 0.00 H new ATOM 0 HG22 THR A 3 14.410 -2.449 -7.279 1.00 0.00 H new ATOM 0 HG23 THR A 3 12.953 -3.413 -6.938 1.00 0.00 H new ATOM 42 N ARG A 4 11.342 -2.783 -4.163 1.00 0.00 N ATOM 43 CA ARG A 4 10.723 -4.002 -3.563 1.00 0.00 C ATOM 44 C ARG A 4 9.633 -4.552 -4.488 1.00 0.00 C ATOM 45 O ARG A 4 8.664 -3.878 -4.777 1.00 0.00 O ATOM 46 CB ARG A 4 10.118 -3.533 -2.236 1.00 0.00 C ATOM 47 CG ARG A 4 11.206 -3.485 -1.159 1.00 0.00 C ATOM 48 CD ARG A 4 11.430 -4.889 -0.582 1.00 0.00 C ATOM 49 NE ARG A 4 12.660 -5.395 -1.261 1.00 0.00 N ATOM 50 CZ ARG A 4 13.768 -5.536 -0.589 1.00 0.00 C ATOM 51 NH1 ARG A 4 13.869 -6.487 0.302 1.00 0.00 N ATOM 52 NH2 ARG A 4 14.768 -4.724 -0.812 1.00 0.00 N ATOM 0 H ARG A 4 10.694 -2.021 -4.363 1.00 0.00 H new ATOM 0 HA ARG A 4 11.448 -4.802 -3.417 1.00 0.00 H new ATOM 0 HB2 ARG A 4 9.670 -2.547 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 4 9.320 -4.210 -1.930 1.00 0.00 H new ATOM 0 HG2 ARG A 4 12.135 -3.104 -1.584 1.00 0.00 H new ATOM 0 HG3 ARG A 4 10.914 -2.798 -0.365 1.00 0.00 H new ATOM 0 HD2 ARG A 4 11.562 -4.855 0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 4 10.576 -5.537 -0.778 1.00 0.00 H new ATOM 0 HE ARG A 4 12.633 -5.631 -2.253 1.00 0.00 H new ATOM 0 HH11 ARG A 4 13.083 -7.115 0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 4 14.734 -6.601 0.830 1.00 0.00 H new ATOM 0 HH21 ARG A 4 14.679 -3.985 -1.509 1.00 0.00 H new ATOM 0 HH22 ARG A 4 15.637 -4.830 -0.289 1.00 0.00 H new ATOM 66 N ASN A 5 9.783 -5.772 -4.948 1.00 0.00 N ATOM 67 CA ASN A 5 8.754 -6.374 -5.858 1.00 0.00 C ATOM 68 C ASN A 5 7.507 -6.761 -5.063 1.00 0.00 C ATOM 69 O ASN A 5 7.605 -7.244 -3.954 1.00 0.00 O ATOM 70 CB ASN A 5 9.420 -7.629 -6.437 1.00 0.00 C ATOM 71 CG ASN A 5 8.576 -8.185 -7.588 1.00 0.00 C ATOM 72 OD1 ASN A 5 7.467 -8.633 -7.383 1.00 0.00 O ATOM 73 ND2 ASN A 5 9.058 -8.178 -8.799 1.00 0.00 N ATOM 0 H ASN A 5 10.575 -6.378 -4.733 1.00 0.00 H new ATOM 0 HA ASN A 5 8.438 -5.679 -6.636 1.00 0.00 H new ATOM 0 HB2 ASN A 5 10.422 -7.388 -6.793 1.00 0.00 H new ATOM 0 HB3 ASN A 5 9.531 -8.384 -5.659 1.00 0.00 H new ATOM 0 HD21 ASN A 5 8.503 -8.548 -9.571 1.00 0.00 H new ATOM 0 HD22 ASN A 5 9.990 -7.802 -8.975 1.00 0.00 H new ATOM 80 N PHE A 6 6.338 -6.553 -5.618 1.00 0.00 N ATOM 81 CA PHE A 6 5.084 -6.917 -4.887 1.00 0.00 C ATOM 82 C PHE A 6 3.954 -7.240 -5.885 1.00 0.00 C ATOM 83 O PHE A 6 4.087 -7.013 -7.075 1.00 0.00 O ATOM 84 CB PHE A 6 4.757 -5.690 -4.032 1.00 0.00 C ATOM 85 CG PHE A 6 5.408 -5.848 -2.672 1.00 0.00 C ATOM 86 CD1 PHE A 6 4.899 -6.781 -1.758 1.00 0.00 C ATOM 87 CD2 PHE A 6 6.518 -5.063 -2.321 1.00 0.00 C ATOM 88 CE1 PHE A 6 5.493 -6.927 -0.502 1.00 0.00 C ATOM 89 CE2 PHE A 6 7.112 -5.215 -1.061 1.00 0.00 C ATOM 90 CZ PHE A 6 6.599 -6.146 -0.153 1.00 0.00 C ATOM 0 H PHE A 6 6.198 -6.148 -6.544 1.00 0.00 H new ATOM 0 HA PHE A 6 5.200 -7.809 -4.271 1.00 0.00 H new ATOM 0 HB2 PHE A 6 5.118 -4.784 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 6 3.678 -5.584 -3.923 1.00 0.00 H new ATOM 0 HD1 PHE A 6 4.046 -7.388 -2.025 1.00 0.00 H new ATOM 0 HD2 PHE A 6 6.914 -4.343 -3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.097 -7.645 0.201 1.00 0.00 H new ATOM 0 HE2 PHE A 6 7.967 -4.612 -0.791 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.057 -6.262 0.818 1.00 0.00 H new ATOM 100 N VAL A 7 2.860 -7.804 -5.410 1.00 0.00 N ATOM 101 CA VAL A 7 1.737 -8.186 -6.339 1.00 0.00 C ATOM 102 C VAL A 7 0.366 -8.119 -5.631 1.00 0.00 C ATOM 103 O VAL A 7 0.238 -8.486 -4.477 1.00 0.00 O ATOM 104 CB VAL A 7 2.068 -9.631 -6.766 1.00 0.00 C ATOM 105 CG1 VAL A 7 2.887 -10.343 -5.668 1.00 0.00 C ATOM 106 CG2 VAL A 7 0.779 -10.424 -7.018 1.00 0.00 C ATOM 0 H VAL A 7 2.697 -8.015 -4.425 1.00 0.00 H new ATOM 0 HA VAL A 7 1.660 -7.506 -7.187 1.00 0.00 H new ATOM 0 HB VAL A 7 2.653 -9.585 -7.685 1.00 0.00 H new ATOM 0 HG11 VAL A 7 3.112 -11.361 -5.985 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.818 -9.801 -5.499 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.310 -10.370 -4.744 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.030 -11.441 -7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.184 -10.452 -6.105 1.00 0.00 H new ATOM 0 HG23 VAL A 7 0.205 -9.943 -7.810 1.00 0.00 H new ATOM 116 N LEU A 8 -0.664 -7.661 -6.325 1.00 0.00 N ATOM 117 CA LEU A 8 -2.041 -7.568 -5.688 1.00 0.00 C ATOM 118 C LEU A 8 -3.194 -7.789 -6.704 1.00 0.00 C ATOM 119 O LEU A 8 -2.998 -7.727 -7.904 1.00 0.00 O ATOM 120 CB LEU A 8 -2.151 -6.130 -5.160 1.00 0.00 C ATOM 121 CG LEU A 8 -1.047 -5.813 -4.158 1.00 0.00 C ATOM 122 CD1 LEU A 8 -0.110 -4.766 -4.762 1.00 0.00 C ATOM 123 CD2 LEU A 8 -1.680 -5.256 -2.880 1.00 0.00 C ATOM 0 H LEU A 8 -0.616 -7.350 -7.295 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.137 -8.337 -4.922 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.097 -5.431 -5.994 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.123 -5.989 -4.688 1.00 0.00 H new ATOM 0 HG LEU A 8 -0.483 -6.716 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.683 -4.534 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.329 -5.157 -5.680 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.673 -3.860 -4.986 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.898 -5.026 -2.157 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.235 -4.348 -3.115 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.359 -5.997 -2.457 1.00 0.00 H new ATOM 135 N ARG A 9 -4.414 -7.977 -6.208 1.00 0.00 N ATOM 136 CA ARG A 9 -5.617 -8.134 -7.119 1.00 0.00 C ATOM 137 C ARG A 9 -6.837 -7.304 -6.597 1.00 0.00 C ATOM 138 O ARG A 9 -7.579 -7.740 -5.745 1.00 0.00 O ATOM 139 CB ARG A 9 -5.944 -9.640 -7.148 1.00 0.00 C ATOM 140 CG ARG A 9 -5.800 -10.273 -5.754 1.00 0.00 C ATOM 141 CD ARG A 9 -5.306 -11.715 -5.903 1.00 0.00 C ATOM 142 NE ARG A 9 -5.424 -12.311 -4.541 1.00 0.00 N ATOM 143 CZ ARG A 9 -4.444 -12.189 -3.684 1.00 0.00 C ATOM 144 NH1 ARG A 9 -3.269 -12.689 -3.962 1.00 0.00 N ATOM 145 NH2 ARG A 9 -4.634 -11.552 -2.562 1.00 0.00 N ATOM 0 H ARG A 9 -4.626 -8.028 -5.212 1.00 0.00 H new ATOM 0 HA ARG A 9 -5.400 -7.759 -8.119 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.961 -9.786 -7.512 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -5.279 -10.145 -7.849 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.099 -9.696 -5.151 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -6.757 -10.256 -5.233 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.908 -12.265 -6.627 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.276 -11.744 -6.258 1.00 0.00 H new ATOM 0 HE ARG A 9 -6.271 -12.815 -4.277 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.117 -13.174 -4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.504 -12.595 -3.294 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -5.547 -11.149 -2.353 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -3.869 -11.457 -1.894 1.00 0.00 H new ATOM 159 N ASP A 10 -7.009 -6.097 -7.113 1.00 0.00 N ATOM 160 CA ASP A 10 -8.115 -5.153 -6.709 1.00 0.00 C ATOM 161 C ASP A 10 -9.430 -5.441 -7.412 1.00 0.00 C ATOM 162 O ASP A 10 -9.744 -6.582 -7.695 1.00 0.00 O ATOM 163 CB ASP A 10 -7.644 -3.780 -7.136 1.00 0.00 C ATOM 164 CG ASP A 10 -8.171 -2.721 -6.176 1.00 0.00 C ATOM 165 OD1 ASP A 10 -8.319 -3.014 -5.006 1.00 0.00 O ATOM 166 OD2 ASP A 10 -8.427 -1.632 -6.641 1.00 0.00 O ATOM 0 H ASP A 10 -6.396 -5.713 -7.832 1.00 0.00 H new ATOM 0 HA ASP A 10 -8.303 -5.250 -5.640 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.555 -3.752 -7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.989 -3.568 -8.148 1.00 0.00 H new ATOM 171 N GLU A 11 -10.253 -4.405 -7.614 1.00 0.00 N ATOM 172 CA GLU A 11 -11.596 -4.630 -8.215 1.00 0.00 C ATOM 173 C GLU A 11 -12.391 -5.273 -7.105 1.00 0.00 C ATOM 174 O GLU A 11 -12.960 -6.339 -7.223 1.00 0.00 O ATOM 175 CB GLU A 11 -11.415 -5.568 -9.424 1.00 0.00 C ATOM 176 CG GLU A 11 -11.916 -4.873 -10.693 1.00 0.00 C ATOM 177 CD GLU A 11 -10.976 -3.721 -11.046 1.00 0.00 C ATOM 178 OE1 GLU A 11 -9.999 -3.966 -11.730 1.00 0.00 O ATOM 179 OE2 GLU A 11 -11.243 -2.610 -10.619 1.00 0.00 O ATOM 0 H GLU A 11 -10.036 -3.435 -7.385 1.00 0.00 H new ATOM 0 HA GLU A 11 -12.097 -3.732 -8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -10.364 -5.836 -9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.965 -6.495 -9.263 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.962 -5.585 -11.517 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.928 -4.497 -10.540 1.00 0.00 H new ATOM 186 N ASP A 12 -12.369 -4.571 -5.993 1.00 0.00 N ATOM 187 CA ASP A 12 -13.041 -4.981 -4.755 1.00 0.00 C ATOM 188 C ASP A 12 -12.451 -6.270 -4.191 1.00 0.00 C ATOM 189 O ASP A 12 -12.944 -6.790 -3.211 1.00 0.00 O ATOM 190 CB ASP A 12 -14.463 -5.226 -5.162 1.00 0.00 C ATOM 191 CG ASP A 12 -15.314 -3.968 -4.954 1.00 0.00 C ATOM 192 OD1 ASP A 12 -14.787 -2.877 -5.105 1.00 0.00 O ATOM 193 OD2 ASP A 12 -16.484 -4.119 -4.658 1.00 0.00 O ATOM 0 H ASP A 12 -11.877 -3.681 -5.911 1.00 0.00 H new ATOM 0 HA ASP A 12 -12.933 -4.223 -3.979 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -14.500 -5.526 -6.209 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -14.876 -6.050 -4.580 1.00 0.00 H new ATOM 198 N GLY A 13 -11.412 -6.817 -4.775 1.00 0.00 N ATOM 199 CA GLY A 13 -10.868 -8.062 -4.190 1.00 0.00 C ATOM 200 C GLY A 13 -9.825 -7.673 -3.160 1.00 0.00 C ATOM 201 O GLY A 13 -10.061 -7.698 -1.970 1.00 0.00 O ATOM 0 H GLY A 13 -10.936 -6.463 -5.605 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.663 -8.646 -3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.425 -8.687 -4.966 1.00 0.00 H new ATOM 205 N ASN A 14 -8.679 -7.292 -3.628 1.00 0.00 N ATOM 206 CA ASN A 14 -7.595 -6.854 -2.705 1.00 0.00 C ATOM 207 C ASN A 14 -7.053 -5.461 -3.087 1.00 0.00 C ATOM 208 O ASN A 14 -7.369 -4.471 -2.471 1.00 0.00 O ATOM 209 CB ASN A 14 -6.528 -7.947 -2.825 1.00 0.00 C ATOM 210 CG ASN A 14 -6.872 -9.117 -1.885 1.00 0.00 C ATOM 211 OD1 ASN A 14 -6.663 -10.265 -2.234 1.00 0.00 O ATOM 212 ND2 ASN A 14 -7.365 -8.887 -0.694 1.00 0.00 N ATOM 0 H ASN A 14 -8.439 -7.263 -4.619 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.943 -6.741 -1.678 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.470 -8.300 -3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -5.548 -7.541 -2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -7.570 -9.666 -0.068 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -7.544 -7.929 -0.392 1.00 0.00 H new ATOM 219 N GLU A 15 -6.235 -5.416 -4.121 1.00 0.00 N ATOM 220 CA GLU A 15 -5.614 -4.135 -4.629 1.00 0.00 C ATOM 221 C GLU A 15 -4.923 -4.459 -5.943 1.00 0.00 C ATOM 222 O GLU A 15 -4.561 -5.584 -6.137 1.00 0.00 O ATOM 223 CB GLU A 15 -4.569 -3.742 -3.587 1.00 0.00 C ATOM 224 CG GLU A 15 -5.061 -2.568 -2.741 1.00 0.00 C ATOM 225 CD GLU A 15 -3.896 -2.039 -1.898 1.00 0.00 C ATOM 226 OE1 GLU A 15 -2.837 -1.815 -2.460 1.00 0.00 O ATOM 227 OE2 GLU A 15 -4.078 -1.874 -0.707 1.00 0.00 O ATOM 0 H GLU A 15 -5.962 -6.243 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 15 -6.339 -3.335 -4.782 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -4.352 -4.594 -2.943 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -3.637 -3.473 -4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -5.450 -1.778 -3.383 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -5.879 -2.886 -2.095 1.00 0.00 H new ATOM 234 N HIS A 16 -4.712 -3.551 -6.865 1.00 0.00 N ATOM 235 CA HIS A 16 -4.011 -4.056 -8.105 1.00 0.00 C ATOM 236 C HIS A 16 -2.692 -3.397 -8.404 1.00 0.00 C ATOM 237 O HIS A 16 -2.571 -2.215 -8.628 1.00 0.00 O ATOM 238 CB HIS A 16 -4.931 -4.029 -9.321 1.00 0.00 C ATOM 239 CG HIS A 16 -5.699 -2.742 -9.522 1.00 0.00 C ATOM 240 ND1 HIS A 16 -5.873 -2.216 -10.811 1.00 0.00 N ATOM 241 CD2 HIS A 16 -6.418 -1.909 -8.683 1.00 0.00 C ATOM 242 CE1 HIS A 16 -6.669 -1.138 -10.712 1.00 0.00 C ATOM 243 NE2 HIS A 16 -7.012 -0.933 -9.455 1.00 0.00 N ATOM 0 H HIS A 16 -4.966 -2.564 -6.833 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.761 -5.092 -7.875 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -4.333 -4.219 -10.212 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -5.644 -4.849 -9.235 1.00 0.00 H new ATOM 0 HD1 HIS A 16 -5.467 -2.586 -11.671 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -6.500 -2.006 -7.611 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -6.984 -0.526 -11.544 1.00 0.00 H new ATOM 252 N GLY A 17 -1.699 -4.220 -8.432 1.00 0.00 N ATOM 253 CA GLY A 17 -0.327 -3.750 -8.737 1.00 0.00 C ATOM 254 C GLY A 17 0.634 -4.935 -8.791 1.00 0.00 C ATOM 255 O GLY A 17 0.718 -5.716 -7.862 1.00 0.00 O ATOM 0 H GLY A 17 -1.777 -5.221 -8.253 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -0.319 -3.222 -9.690 1.00 0.00 H new ATOM 0 HA3 GLY A 17 0.000 -3.041 -7.977 1.00 0.00 H new ATOM 259 N VAL A 18 1.388 -5.049 -9.845 1.00 0.00 N ATOM 260 CA VAL A 18 2.391 -6.150 -9.941 1.00 0.00 C ATOM 261 C VAL A 18 3.700 -5.548 -10.454 1.00 0.00 C ATOM 262 O VAL A 18 3.926 -5.428 -11.644 1.00 0.00 O ATOM 263 CB VAL A 18 1.881 -7.166 -10.956 1.00 0.00 C ATOM 264 CG1 VAL A 18 1.797 -8.547 -10.304 1.00 0.00 C ATOM 265 CG2 VAL A 18 0.500 -6.779 -11.509 1.00 0.00 C ATOM 0 H VAL A 18 1.355 -4.425 -10.651 1.00 0.00 H new ATOM 0 HA VAL A 18 2.547 -6.629 -8.974 1.00 0.00 H new ATOM 0 HB VAL A 18 2.584 -7.184 -11.789 1.00 0.00 H new ATOM 0 HG11 VAL A 18 1.432 -9.271 -11.032 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.786 -8.847 -9.958 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.113 -8.508 -9.456 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.173 -7.529 -12.229 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.218 -6.725 -10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.564 -5.808 -12.000 1.00 0.00 H new ATOM 275 N PHE A 19 4.539 -5.153 -9.556 1.00 0.00 N ATOM 276 CA PHE A 19 5.848 -4.519 -9.931 1.00 0.00 C ATOM 277 C PHE A 19 6.694 -4.257 -8.672 1.00 0.00 C ATOM 278 O PHE A 19 6.341 -4.659 -7.578 1.00 0.00 O ATOM 279 CB PHE A 19 5.542 -3.185 -10.668 1.00 0.00 C ATOM 280 CG PHE A 19 4.144 -2.648 -10.383 1.00 0.00 C ATOM 281 CD1 PHE A 19 3.577 -2.757 -9.106 1.00 0.00 C ATOM 282 CD2 PHE A 19 3.423 -2.025 -11.412 1.00 0.00 C ATOM 283 CE1 PHE A 19 2.297 -2.251 -8.863 1.00 0.00 C ATOM 284 CE2 PHE A 19 2.144 -1.514 -11.165 1.00 0.00 C ATOM 285 CZ PHE A 19 1.580 -1.629 -9.890 1.00 0.00 C ATOM 0 H PHE A 19 4.383 -5.238 -8.552 1.00 0.00 H new ATOM 0 HA PHE A 19 6.417 -5.184 -10.581 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.278 -2.437 -10.373 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.654 -3.337 -11.742 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.130 -3.232 -8.309 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.856 -1.939 -12.398 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.860 -2.341 -7.879 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.593 -1.031 -11.958 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.592 -1.238 -9.699 1.00 0.00 H new ATOM 295 N THR A 20 7.810 -3.583 -8.823 1.00 0.00 N ATOM 296 CA THR A 20 8.688 -3.286 -7.647 1.00 0.00 C ATOM 297 C THR A 20 8.582 -1.805 -7.241 1.00 0.00 C ATOM 298 O THR A 20 8.788 -0.921 -8.054 1.00 0.00 O ATOM 299 CB THR A 20 10.109 -3.597 -8.137 1.00 0.00 C ATOM 300 OG1 THR A 20 10.326 -2.958 -9.391 1.00 0.00 O ATOM 301 CG2 THR A 20 10.287 -5.106 -8.301 1.00 0.00 C ATOM 0 H THR A 20 8.151 -3.224 -9.715 1.00 0.00 H new ATOM 0 HA THR A 20 8.406 -3.870 -6.771 1.00 0.00 H new ATOM 0 HB THR A 20 10.828 -3.229 -7.405 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.026 -2.026 -9.340 1.00 0.00 H new ATOM 0 HG21 THR A 20 11.298 -5.317 -8.649 1.00 0.00 H new ATOM 0 HG22 THR A 20 10.123 -5.598 -7.342 1.00 0.00 H new ATOM 0 HG23 THR A 20 9.567 -5.480 -9.029 1.00 0.00 H new ATOM 309 N GLY A 21 8.290 -1.525 -5.991 1.00 0.00 N ATOM 310 CA GLY A 21 8.197 -0.097 -5.538 1.00 0.00 C ATOM 311 C GLY A 21 9.515 0.313 -4.878 1.00 0.00 C ATOM 312 O GLY A 21 10.028 -0.385 -4.022 1.00 0.00 O ATOM 0 H GLY A 21 8.112 -2.221 -5.267 1.00 0.00 H new ATOM 0 HA2 GLY A 21 7.985 0.553 -6.387 1.00 0.00 H new ATOM 0 HA3 GLY A 21 7.373 0.020 -4.834 1.00 0.00 H new ATOM 316 N LYS A 22 10.063 1.442 -5.263 1.00 0.00 N ATOM 317 CA LYS A 22 11.351 1.909 -4.648 1.00 0.00 C ATOM 318 C LYS A 22 11.165 2.082 -3.135 1.00 0.00 C ATOM 319 O LYS A 22 12.031 1.750 -2.349 1.00 0.00 O ATOM 320 CB LYS A 22 11.655 3.263 -5.303 1.00 0.00 C ATOM 321 CG LYS A 22 11.844 3.086 -6.814 1.00 0.00 C ATOM 322 CD LYS A 22 12.502 4.341 -7.400 1.00 0.00 C ATOM 323 CE LYS A 22 11.570 4.983 -8.436 1.00 0.00 C ATOM 324 NZ LYS A 22 10.665 5.875 -7.652 1.00 0.00 N ATOM 0 H LYS A 22 9.676 2.061 -5.976 1.00 0.00 H new ATOM 0 HA LYS A 22 12.162 1.198 -4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 22 10.840 3.961 -5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 22 12.555 3.694 -4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 22 12.463 2.211 -7.013 1.00 0.00 H new ATOM 0 HG3 LYS A 22 10.881 2.910 -7.293 1.00 0.00 H new ATOM 0 HD2 LYS A 22 12.721 5.053 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 22 13.453 4.080 -7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 22 12.135 5.549 -9.176 1.00 0.00 H new ATOM 0 HE3 LYS A 22 11.003 4.226 -8.978 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 10.000 6.348 -8.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 10.134 5.309 -6.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 11.230 6.591 -7.152 1.00 0.00 H new ATOM 338 N GLN A 23 10.031 2.586 -2.729 1.00 0.00 N ATOM 339 CA GLN A 23 9.754 2.772 -1.278 1.00 0.00 C ATOM 340 C GLN A 23 8.418 2.107 -0.943 1.00 0.00 C ATOM 341 O GLN A 23 7.419 2.399 -1.568 1.00 0.00 O ATOM 342 CB GLN A 23 9.672 4.288 -1.075 1.00 0.00 C ATOM 343 CG GLN A 23 10.890 4.768 -0.280 1.00 0.00 C ATOM 344 CD GLN A 23 10.415 5.457 1.000 1.00 0.00 C ATOM 345 OE1 GLN A 23 9.906 4.809 1.893 1.00 0.00 O ATOM 346 NE2 GLN A 23 10.554 6.748 1.123 1.00 0.00 N ATOM 0 H GLN A 23 9.277 2.880 -3.349 1.00 0.00 H new ATOM 0 HA GLN A 23 10.516 2.330 -0.637 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.634 4.793 -2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 23 8.755 4.545 -0.545 1.00 0.00 H new ATOM 0 HG2 GLN A 23 11.535 3.924 -0.035 1.00 0.00 H new ATOM 0 HG3 GLN A 23 11.482 5.458 -0.881 1.00 0.00 H new ATOM 0 HE21 GLN A 23 10.982 7.289 0.371 1.00 0.00 H new ATOM 0 HE22 GLN A 23 10.235 7.217 1.971 1.00 0.00 H new ATOM 355 N PRO A 24 8.433 1.225 0.024 1.00 0.00 N ATOM 356 CA PRO A 24 7.190 0.508 0.403 1.00 0.00 C ATOM 357 C PRO A 24 6.134 1.484 0.926 1.00 0.00 C ATOM 358 O PRO A 24 4.970 1.359 0.612 1.00 0.00 O ATOM 359 CB PRO A 24 7.656 -0.475 1.481 1.00 0.00 C ATOM 360 CG PRO A 24 8.915 0.121 2.021 1.00 0.00 C ATOM 361 CD PRO A 24 9.573 0.823 0.860 1.00 0.00 C ATOM 0 HA PRO A 24 6.711 0.000 -0.434 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.905 -0.590 2.263 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.835 -1.466 1.063 1.00 0.00 H new ATOM 0 HG2 PRO A 24 8.700 0.820 2.829 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.567 -0.650 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 24 10.156 1.684 1.187 1.00 0.00 H new ATOM 0 HD3 PRO A 24 10.254 0.163 0.323 1.00 0.00 H new ATOM 369 N ARG A 25 6.529 2.450 1.711 1.00 0.00 N ATOM 370 CA ARG A 25 5.538 3.434 2.246 1.00 0.00 C ATOM 371 C ARG A 25 5.335 4.612 1.277 1.00 0.00 C ATOM 372 O ARG A 25 4.237 4.847 0.809 1.00 0.00 O ATOM 373 CB ARG A 25 6.120 3.912 3.581 1.00 0.00 C ATOM 374 CG ARG A 25 5.133 3.584 4.704 1.00 0.00 C ATOM 375 CD ARG A 25 5.869 3.527 6.045 1.00 0.00 C ATOM 376 NE ARG A 25 4.860 3.009 7.016 1.00 0.00 N ATOM 377 CZ ARG A 25 5.178 2.866 8.273 1.00 0.00 C ATOM 378 NH1 ARG A 25 5.752 1.764 8.678 1.00 0.00 N ATOM 379 NH2 ARG A 25 4.917 3.825 9.116 1.00 0.00 N ATOM 0 H ARG A 25 7.494 2.602 2.006 1.00 0.00 H new ATOM 0 HA ARG A 25 4.555 2.981 2.372 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.078 3.427 3.769 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.307 4.985 3.547 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.348 4.339 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.647 2.629 4.505 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.738 2.871 5.991 1.00 0.00 H new ATOM 0 HD3 ARG A 25 6.231 4.512 6.339 1.00 0.00 H new ATOM 0 HE ARG A 25 3.922 2.767 6.696 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.951 1.018 8.012 1.00 0.00 H new ATOM 0 HH12 ARG A 25 6.001 1.650 9.660 1.00 0.00 H new ATOM 0 HH21 ARG A 25 4.467 4.681 8.791 1.00 0.00 H new ATOM 0 HH22 ARG A 25 5.163 3.720 10.100 1.00 0.00 H new ATOM 393 N GLN A 26 6.367 5.369 0.989 1.00 0.00 N ATOM 394 CA GLN A 26 6.204 6.547 0.067 1.00 0.00 C ATOM 395 C GLN A 26 5.613 6.133 -1.280 1.00 0.00 C ATOM 396 O GLN A 26 4.768 6.827 -1.818 1.00 0.00 O ATOM 397 CB GLN A 26 7.616 7.130 -0.105 1.00 0.00 C ATOM 398 CG GLN A 26 7.649 8.080 -1.311 1.00 0.00 C ATOM 399 CD GLN A 26 9.036 8.718 -1.431 1.00 0.00 C ATOM 400 OE1 GLN A 26 9.187 9.910 -1.249 1.00 0.00 O ATOM 401 NE2 GLN A 26 10.063 7.975 -1.738 1.00 0.00 N ATOM 0 H GLN A 26 7.311 5.227 1.348 1.00 0.00 H new ATOM 0 HA GLN A 26 5.510 7.279 0.480 1.00 0.00 H new ATOM 0 HB2 GLN A 26 7.910 7.665 0.798 1.00 0.00 H new ATOM 0 HB3 GLN A 26 8.336 6.324 -0.247 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.410 7.533 -2.223 1.00 0.00 H new ATOM 0 HG3 GLN A 26 6.891 8.855 -1.196 1.00 0.00 H new ATOM 0 HE21 GLN A 26 9.941 6.974 -1.892 1.00 0.00 H new ATOM 0 HE22 GLN A 26 10.989 8.395 -1.824 1.00 0.00 H new ATOM 410 N ALA A 27 6.026 5.029 -1.837 1.00 0.00 N ATOM 411 CA ALA A 27 5.444 4.624 -3.137 1.00 0.00 C ATOM 412 C ALA A 27 4.074 3.967 -2.902 1.00 0.00 C ATOM 413 O ALA A 27 3.262 3.888 -3.800 1.00 0.00 O ATOM 414 CB ALA A 27 6.460 3.652 -3.728 1.00 0.00 C ATOM 0 H ALA A 27 6.731 4.401 -1.452 1.00 0.00 H new ATOM 0 HA ALA A 27 5.267 5.458 -3.816 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.106 3.301 -4.697 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.417 4.158 -3.853 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.583 2.802 -3.057 1.00 0.00 H new ATOM 420 N ALA A 28 3.804 3.519 -1.691 1.00 0.00 N ATOM 421 CA ALA A 28 2.479 2.885 -1.388 1.00 0.00 C ATOM 422 C ALA A 28 1.341 3.886 -1.583 1.00 0.00 C ATOM 423 O ALA A 28 0.426 3.641 -2.344 1.00 0.00 O ATOM 424 CB ALA A 28 2.532 2.474 0.087 1.00 0.00 C ATOM 0 H ALA A 28 4.448 3.567 -0.901 1.00 0.00 H new ATOM 0 HA ALA A 28 2.298 2.038 -2.050 1.00 0.00 H new ATOM 0 HB1 ALA A 28 1.590 2.004 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 28 3.349 1.768 0.239 1.00 0.00 H new ATOM 0 HB3 ALA A 28 2.695 3.357 0.705 1.00 0.00 H new ATOM 430 N LEU A 29 1.378 5.002 -0.885 1.00 0.00 N ATOM 431 CA LEU A 29 0.268 5.998 -1.026 1.00 0.00 C ATOM 432 C LEU A 29 0.140 6.452 -2.488 1.00 0.00 C ATOM 433 O LEU A 29 -0.945 6.528 -3.029 1.00 0.00 O ATOM 434 CB LEU A 29 0.605 7.165 -0.072 1.00 0.00 C ATOM 435 CG LEU A 29 1.938 7.829 -0.439 1.00 0.00 C ATOM 436 CD1 LEU A 29 1.666 9.124 -1.208 1.00 0.00 C ATOM 437 CD2 LEU A 29 2.714 8.160 0.837 1.00 0.00 C ATOM 0 H LEU A 29 2.119 5.261 -0.234 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.699 5.571 -0.761 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.193 7.906 -0.108 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.652 6.796 0.953 1.00 0.00 H new ATOM 0 HG LEU A 29 2.522 7.147 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.612 9.597 -1.470 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.110 8.897 -2.118 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.082 9.801 -0.585 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.661 8.632 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.127 8.841 1.453 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.907 7.243 1.394 1.00 0.00 H new ATOM 449 N LYS A 30 1.233 6.739 -3.140 1.00 0.00 N ATOM 450 CA LYS A 30 1.150 7.171 -4.579 1.00 0.00 C ATOM 451 C LYS A 30 0.744 6.000 -5.505 1.00 0.00 C ATOM 452 O LYS A 30 0.058 6.191 -6.504 1.00 0.00 O ATOM 453 CB LYS A 30 2.561 7.644 -4.937 1.00 0.00 C ATOM 454 CG LYS A 30 2.478 8.955 -5.726 1.00 0.00 C ATOM 455 CD LYS A 30 3.614 9.887 -5.300 1.00 0.00 C ATOM 456 CE LYS A 30 3.467 10.233 -3.815 1.00 0.00 C ATOM 457 NZ LYS A 30 4.711 10.975 -3.466 1.00 0.00 N ATOM 0 H LYS A 30 2.175 6.696 -2.750 1.00 0.00 H new ATOM 0 HA LYS A 30 0.396 7.947 -4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.148 7.790 -4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 30 3.072 6.884 -5.528 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.543 8.752 -6.795 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.515 9.436 -5.551 1.00 0.00 H new ATOM 0 HD2 LYS A 30 4.577 9.408 -5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 30 3.595 10.797 -5.899 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.581 10.843 -3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.361 9.333 -3.209 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 4.870 10.922 -2.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.520 10.551 -3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.613 11.970 -3.751 1.00 0.00 H new ATOM 471 N ALA A 31 1.192 4.801 -5.206 1.00 0.00 N ATOM 472 CA ALA A 31 0.879 3.623 -6.084 1.00 0.00 C ATOM 473 C ALA A 31 -0.623 3.406 -6.284 1.00 0.00 C ATOM 474 O ALA A 31 -1.061 3.107 -7.387 1.00 0.00 O ATOM 475 CB ALA A 31 1.499 2.413 -5.382 1.00 0.00 C ATOM 0 H ALA A 31 1.763 4.586 -4.389 1.00 0.00 H new ATOM 0 HA ALA A 31 1.282 3.786 -7.084 1.00 0.00 H new ATOM 0 HB1 ALA A 31 1.309 1.515 -5.969 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.574 2.561 -5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.056 2.300 -4.392 1.00 0.00 H new ATOM 481 N ALA A 32 -1.417 3.536 -5.256 1.00 0.00 N ATOM 482 CA ALA A 32 -2.888 3.320 -5.446 1.00 0.00 C ATOM 483 C ALA A 32 -3.489 4.480 -6.199 1.00 0.00 C ATOM 484 O ALA A 32 -4.451 4.305 -6.924 1.00 0.00 O ATOM 485 CB ALA A 32 -3.499 3.239 -4.062 1.00 0.00 C ATOM 0 H ALA A 32 -1.123 3.777 -4.309 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.078 2.411 -6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.574 3.081 -4.148 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.053 2.408 -3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.310 4.169 -3.526 1.00 0.00 H new ATOM 491 N ASN A 33 -2.920 5.656 -6.041 1.00 0.00 N ATOM 492 CA ASN A 33 -3.455 6.854 -6.753 1.00 0.00 C ATOM 493 C ASN A 33 -3.826 6.471 -8.174 1.00 0.00 C ATOM 494 O ASN A 33 -4.894 6.804 -8.664 1.00 0.00 O ATOM 495 CB ASN A 33 -2.319 7.887 -6.755 1.00 0.00 C ATOM 496 CG ASN A 33 -2.897 9.296 -6.583 1.00 0.00 C ATOM 497 OD1 ASN A 33 -4.102 9.482 -6.593 1.00 0.00 O ATOM 498 ND2 ASN A 33 -2.091 10.308 -6.427 1.00 0.00 N ATOM 0 H ASN A 33 -2.109 5.832 -5.449 1.00 0.00 H new ATOM 0 HA ASN A 33 -4.348 7.253 -6.271 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.618 7.671 -5.949 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -1.760 7.825 -7.689 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -2.469 11.249 -6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.082 10.160 -6.418 1.00 0.00 H new ATOM 505 N ARG A 34 -2.952 5.773 -8.843 1.00 0.00 N ATOM 506 CA ARG A 34 -3.269 5.373 -10.235 1.00 0.00 C ATOM 507 C ARG A 34 -3.924 3.976 -10.326 1.00 0.00 C ATOM 508 O ARG A 34 -5.096 3.859 -10.634 1.00 0.00 O ATOM 509 CB ARG A 34 -1.921 5.390 -10.965 1.00 0.00 C ATOM 510 CG ARG A 34 -1.334 6.809 -10.944 1.00 0.00 C ATOM 511 CD ARG A 34 -2.196 7.752 -11.799 1.00 0.00 C ATOM 512 NE ARG A 34 -2.299 7.099 -13.140 1.00 0.00 N ATOM 513 CZ ARG A 34 -1.327 7.214 -14.002 1.00 0.00 C ATOM 514 NH1 ARG A 34 -0.268 6.456 -13.886 1.00 0.00 N ATOM 515 NH2 ARG A 34 -1.415 8.087 -14.971 1.00 0.00 N ATOM 0 H ARG A 34 -2.045 5.467 -8.490 1.00 0.00 H new ATOM 0 HA ARG A 34 -3.999 6.052 -10.675 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.231 4.694 -10.488 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.051 5.056 -11.994 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.288 7.176 -9.919 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.312 6.794 -11.324 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.181 7.893 -11.355 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -1.738 8.738 -11.877 1.00 0.00 H new ATOM 0 HE ARG A 34 -3.132 6.562 -13.381 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.206 5.780 -13.125 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.496 6.541 -14.557 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.243 8.677 -15.052 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.656 8.178 -15.646 1.00 0.00 H new ATOM 529 N GLY A 35 -3.157 2.920 -10.151 1.00 0.00 N ATOM 530 CA GLY A 35 -3.720 1.542 -10.326 1.00 0.00 C ATOM 531 C GLY A 35 -3.756 0.638 -9.083 1.00 0.00 C ATOM 532 O GLY A 35 -4.233 -0.460 -9.200 1.00 0.00 O ATOM 0 H GLY A 35 -2.170 2.955 -9.896 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.738 1.638 -10.704 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.140 1.035 -11.097 1.00 0.00 H new ATOM 536 N SER A 36 -3.252 1.002 -7.930 1.00 0.00 N ATOM 537 CA SER A 36 -3.282 0.004 -6.797 1.00 0.00 C ATOM 538 C SER A 36 -4.661 -0.045 -6.166 1.00 0.00 C ATOM 539 O SER A 36 -4.931 -0.824 -5.276 1.00 0.00 O ATOM 540 CB SER A 36 -2.203 0.437 -5.796 1.00 0.00 C ATOM 541 OG SER A 36 -1.132 -0.500 -5.819 1.00 0.00 O ATOM 0 H SER A 36 -2.835 1.909 -7.720 1.00 0.00 H new ATOM 0 HA SER A 36 -3.076 -1.007 -7.150 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.836 1.432 -6.048 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.626 0.498 -4.793 1.00 0.00 H new ATOM 0 HG SER A 36 -0.441 -0.223 -5.181 1.00 0.00 H new ATOM 547 N GLY A 37 -5.528 0.800 -6.618 1.00 0.00 N ATOM 548 CA GLY A 37 -6.877 0.856 -6.067 1.00 0.00 C ATOM 549 C GLY A 37 -7.814 1.416 -7.132 1.00 0.00 C ATOM 550 O GLY A 37 -7.651 2.548 -7.556 1.00 0.00 O ATOM 0 H GLY A 37 -5.344 1.468 -7.366 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.203 -0.138 -5.762 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.896 1.485 -5.177 1.00 0.00 H new ATOM 554 N THR A 38 -8.798 0.668 -7.583 1.00 0.00 N ATOM 555 CA THR A 38 -9.705 1.236 -8.603 1.00 0.00 C ATOM 556 C THR A 38 -10.528 2.330 -7.946 1.00 0.00 C ATOM 557 O THR A 38 -11.127 3.160 -8.603 1.00 0.00 O ATOM 558 CB THR A 38 -10.572 0.075 -9.091 1.00 0.00 C ATOM 559 OG1 THR A 38 -9.724 -0.946 -9.596 1.00 0.00 O ATOM 560 CG2 THR A 38 -11.510 0.558 -10.203 1.00 0.00 C ATOM 0 H THR A 38 -9.000 -0.288 -7.290 1.00 0.00 H new ATOM 0 HA THR A 38 -9.183 1.682 -9.450 1.00 0.00 H new ATOM 0 HB THR A 38 -11.170 -0.310 -8.265 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.807 -0.608 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.125 -0.274 -10.547 1.00 0.00 H new ATOM 0 HG22 THR A 38 -12.153 1.350 -9.819 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.920 0.941 -11.036 1.00 0.00 H new ATOM 568 N LYS A 39 -10.553 2.319 -6.633 1.00 0.00 N ATOM 569 CA LYS A 39 -11.313 3.329 -5.847 1.00 0.00 C ATOM 570 C LYS A 39 -12.795 3.036 -6.022 1.00 0.00 C ATOM 571 O LYS A 39 -13.486 2.708 -5.081 1.00 0.00 O ATOM 572 CB LYS A 39 -10.950 4.729 -6.388 1.00 0.00 C ATOM 573 CG LYS A 39 -9.440 4.840 -6.658 1.00 0.00 C ATOM 574 CD LYS A 39 -9.187 5.824 -7.813 1.00 0.00 C ATOM 575 CE LYS A 39 -9.394 5.113 -9.159 1.00 0.00 C ATOM 576 NZ LYS A 39 -8.680 5.945 -10.174 1.00 0.00 N ATOM 0 H LYS A 39 -10.062 1.630 -6.064 1.00 0.00 H new ATOM 0 HA LYS A 39 -11.069 3.291 -4.785 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -11.503 4.922 -7.307 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.252 5.490 -5.669 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.925 5.180 -5.760 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.033 3.860 -6.907 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.864 6.674 -7.733 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -8.172 6.217 -7.752 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -8.993 4.100 -9.132 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.454 5.029 -9.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.784 5.512 -11.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -9.087 6.902 -10.187 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.671 6.001 -9.929 1.00 0.00 H new ATOM 590 N ALA A 40 -13.267 3.071 -7.241 1.00 0.00 N ATOM 591 CA ALA A 40 -14.678 2.695 -7.488 1.00 0.00 C ATOM 592 C ALA A 40 -14.770 1.173 -7.299 1.00 0.00 C ATOM 593 O ALA A 40 -15.829 0.629 -7.058 1.00 0.00 O ATOM 594 CB ALA A 40 -14.972 3.091 -8.939 1.00 0.00 C ATOM 0 H ALA A 40 -12.735 3.343 -8.068 1.00 0.00 H new ATOM 0 HA ALA A 40 -15.390 3.181 -6.821 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -16.004 2.838 -9.183 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -14.823 4.164 -9.061 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.299 2.553 -9.606 1.00 0.00 H new ATOM 600 N ASN A 41 -13.639 0.489 -7.383 1.00 0.00 N ATOM 601 CA ASN A 41 -13.625 -0.990 -7.183 1.00 0.00 C ATOM 602 C ASN A 41 -12.278 -1.445 -6.588 1.00 0.00 C ATOM 603 O ASN A 41 -11.537 -2.159 -7.227 1.00 0.00 O ATOM 604 CB ASN A 41 -13.717 -1.527 -8.610 1.00 0.00 C ATOM 605 CG ASN A 41 -14.927 -2.451 -8.761 1.00 0.00 C ATOM 606 OD1 ASN A 41 -15.113 -3.414 -7.909 1.00 0.00 O flip ATOM 607 ND2 ASN A 41 -15.716 -2.290 -9.671 1.00 0.00 N flip ATOM 0 H ASN A 41 -12.728 0.903 -7.583 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.415 -1.328 -6.513 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -13.797 -0.697 -9.312 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.805 -2.069 -8.860 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -15.574 -1.535 -10.342 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -16.521 -2.910 -9.764 1.00 0.00 H new ATOM 614 N PRO A 42 -11.985 -1.036 -5.388 1.00 0.00 N ATOM 615 CA PRO A 42 -10.731 -1.431 -4.736 1.00 0.00 C ATOM 616 C PRO A 42 -10.997 -2.263 -3.469 1.00 0.00 C ATOM 617 O PRO A 42 -12.133 -2.548 -3.148 1.00 0.00 O ATOM 618 CB PRO A 42 -10.235 -0.089 -4.303 1.00 0.00 C ATOM 619 CG PRO A 42 -11.510 0.728 -4.073 1.00 0.00 C ATOM 620 CD PRO A 42 -12.685 -0.114 -4.541 1.00 0.00 C ATOM 0 HA PRO A 42 -10.072 -2.024 -5.370 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.638 -0.160 -3.394 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.602 0.366 -5.065 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -11.617 0.982 -3.018 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.468 1.667 -4.625 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -13.201 -0.609 -3.718 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -13.431 0.469 -5.081 1.00 0.00 H new ATOM 628 N ASP A 43 -9.972 -2.606 -2.707 1.00 0.00 N ATOM 629 CA ASP A 43 -10.256 -3.375 -1.436 1.00 0.00 C ATOM 630 C ASP A 43 -9.041 -3.439 -0.490 1.00 0.00 C ATOM 631 O ASP A 43 -8.061 -2.735 -0.654 1.00 0.00 O ATOM 632 CB ASP A 43 -10.692 -4.778 -1.865 1.00 0.00 C ATOM 633 CG ASP A 43 -11.712 -5.319 -0.846 1.00 0.00 C ATOM 634 OD1 ASP A 43 -11.279 -5.861 0.163 1.00 0.00 O ATOM 635 OD2 ASP A 43 -12.899 -5.157 -1.073 1.00 0.00 O ATOM 0 H ASP A 43 -8.992 -2.399 -2.897 1.00 0.00 H new ATOM 0 HA ASP A 43 -11.034 -2.869 -0.865 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.135 -4.747 -2.861 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.828 -5.440 -1.921 1.00 0.00 H new ATOM 640 N ILE A 44 -9.129 -4.281 0.512 1.00 0.00 N ATOM 641 CA ILE A 44 -8.014 -4.440 1.503 1.00 0.00 C ATOM 642 C ILE A 44 -7.148 -5.633 1.076 1.00 0.00 C ATOM 643 O ILE A 44 -7.637 -6.559 0.450 1.00 0.00 O ATOM 644 CB ILE A 44 -8.707 -4.708 2.857 1.00 0.00 C ATOM 645 CG1 ILE A 44 -9.250 -6.143 2.908 1.00 0.00 C ATOM 646 CG2 ILE A 44 -9.877 -3.737 3.039 1.00 0.00 C ATOM 647 CD1 ILE A 44 -8.411 -6.980 3.876 1.00 0.00 C ATOM 0 H ILE A 44 -9.939 -4.875 0.689 1.00 0.00 H new ATOM 0 HA ILE A 44 -7.365 -3.567 1.567 1.00 0.00 H new ATOM 0 HB ILE A 44 -7.974 -4.569 3.651 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.292 -6.136 3.228 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -9.225 -6.587 1.913 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -10.364 -3.929 3.995 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -9.506 -2.712 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.596 -3.878 2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -8.800 -7.998 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -7.375 -6.999 3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -8.459 -6.541 4.872 1.00 0.00 H new ATOM 659 N ILE A 45 -5.866 -5.632 1.361 1.00 0.00 N ATOM 660 CA ILE A 45 -5.047 -6.791 0.891 1.00 0.00 C ATOM 661 C ILE A 45 -3.699 -6.919 1.592 1.00 0.00 C ATOM 662 O ILE A 45 -3.004 -5.947 1.835 1.00 0.00 O ATOM 663 CB ILE A 45 -4.810 -6.490 -0.597 1.00 0.00 C ATOM 664 CG1 ILE A 45 -3.717 -7.406 -1.173 1.00 0.00 C ATOM 665 CG2 ILE A 45 -4.360 -5.034 -0.754 1.00 0.00 C ATOM 666 CD1 ILE A 45 -4.089 -8.877 -0.973 1.00 0.00 C ATOM 0 H ILE A 45 -5.368 -4.908 1.879 1.00 0.00 H new ATOM 0 HA ILE A 45 -5.565 -7.728 1.096 1.00 0.00 H new ATOM 0 HB ILE A 45 -5.742 -6.664 -1.135 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.584 -7.200 -2.235 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.765 -7.196 -0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.191 -4.817 -1.809 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.133 -4.370 -0.366 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.435 -4.877 -0.199 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.304 -9.510 -1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.198 -9.083 0.092 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.030 -9.087 -1.481 1.00 0.00 H new ATOM 678 N ARG A 46 -3.284 -8.136 1.817 1.00 0.00 N ATOM 679 CA ARG A 46 -1.937 -8.358 2.380 1.00 0.00 C ATOM 680 C ARG A 46 -1.001 -8.360 1.172 1.00 0.00 C ATOM 681 O ARG A 46 -0.848 -9.360 0.491 1.00 0.00 O ATOM 682 CB ARG A 46 -1.975 -9.735 3.058 1.00 0.00 C ATOM 683 CG ARG A 46 -2.722 -9.646 4.392 1.00 0.00 C ATOM 684 CD ARG A 46 -2.342 -10.847 5.266 1.00 0.00 C ATOM 685 NE ARG A 46 -2.831 -10.509 6.634 1.00 0.00 N ATOM 686 CZ ARG A 46 -3.675 -11.299 7.244 1.00 0.00 C ATOM 687 NH1 ARG A 46 -3.284 -12.479 7.653 1.00 0.00 N ATOM 688 NH2 ARG A 46 -4.905 -10.902 7.441 1.00 0.00 N ATOM 0 H ARG A 46 -3.825 -8.981 1.633 1.00 0.00 H new ATOM 0 HA ARG A 46 -1.614 -7.613 3.107 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.466 -10.457 2.405 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.960 -10.095 3.224 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -2.470 -8.716 4.902 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -3.798 -9.633 4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.804 -11.763 4.898 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.264 -11.010 5.263 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.506 -9.659 7.095 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.322 -12.781 7.496 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.941 -13.097 8.129 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -5.201 -9.980 7.119 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.568 -11.514 7.916 1.00 0.00 H new ATOM 702 N LEU A 47 -0.405 -7.240 0.878 1.00 0.00 N ATOM 703 CA LEU A 47 0.488 -7.155 -0.311 1.00 0.00 C ATOM 704 C LEU A 47 1.756 -7.955 -0.048 1.00 0.00 C ATOM 705 O LEU A 47 2.703 -7.468 0.538 1.00 0.00 O ATOM 706 CB LEU A 47 0.809 -5.659 -0.456 1.00 0.00 C ATOM 707 CG LEU A 47 1.241 -5.301 -1.890 1.00 0.00 C ATOM 708 CD1 LEU A 47 2.419 -4.331 -1.834 1.00 0.00 C ATOM 709 CD2 LEU A 47 1.661 -6.552 -2.668 1.00 0.00 C ATOM 0 H LEU A 47 -0.498 -6.376 1.412 1.00 0.00 H new ATOM 0 HA LEU A 47 0.032 -7.558 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.068 -5.071 -0.184 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.603 -5.389 0.240 1.00 0.00 H new ATOM 0 HG LEU A 47 0.394 -4.843 -2.400 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.728 -4.075 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.120 -3.425 -1.306 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.251 -4.799 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.961 -6.269 -3.677 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.499 -7.031 -2.161 1.00 0.00 H new ATOM 0 HD23 LEU A 47 0.823 -7.247 -2.720 1.00 0.00 H new ATOM 721 N ARG A 48 1.780 -9.184 -0.480 1.00 0.00 N ATOM 722 CA ARG A 48 2.989 -10.027 -0.260 1.00 0.00 C ATOM 723 C ARG A 48 3.432 -10.670 -1.584 1.00 0.00 C ATOM 724 O ARG A 48 2.841 -10.426 -2.617 1.00 0.00 O ATOM 725 CB ARG A 48 2.576 -11.086 0.778 1.00 0.00 C ATOM 726 CG ARG A 48 1.448 -11.972 0.231 1.00 0.00 C ATOM 727 CD ARG A 48 1.666 -13.419 0.695 1.00 0.00 C ATOM 728 NE ARG A 48 1.313 -13.426 2.147 1.00 0.00 N ATOM 729 CZ ARG A 48 0.799 -14.496 2.691 1.00 0.00 C ATOM 730 NH1 ARG A 48 1.571 -15.490 3.032 1.00 0.00 N ATOM 731 NH2 ARG A 48 -0.489 -14.569 2.878 1.00 0.00 N ATOM 0 H ARG A 48 1.015 -9.642 -0.976 1.00 0.00 H new ATOM 0 HA ARG A 48 3.839 -9.447 0.099 1.00 0.00 H new ATOM 0 HB2 ARG A 48 3.436 -11.703 1.037 1.00 0.00 H new ATOM 0 HB3 ARG A 48 2.248 -10.595 1.694 1.00 0.00 H new ATOM 0 HG2 ARG A 48 0.482 -11.608 0.581 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.430 -11.926 -0.858 1.00 0.00 H new ATOM 0 HD2 ARG A 48 1.037 -14.111 0.134 1.00 0.00 H new ATOM 0 HD3 ARG A 48 2.699 -13.730 0.540 1.00 0.00 H new ATOM 0 HE ARG A 48 1.474 -12.594 2.714 1.00 0.00 H new ATOM 0 HH11 ARG A 48 2.577 -15.432 2.874 1.00 0.00 H new ATOM 0 HH12 ARG A 48 1.169 -16.326 3.457 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -1.090 -13.793 2.600 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -0.896 -15.402 3.302 1.00 0.00 H new ATOM 745 N GLU A 49 4.456 -11.492 -1.563 1.00 0.00 N ATOM 746 CA GLU A 49 4.930 -12.147 -2.815 1.00 0.00 C ATOM 747 C GLU A 49 5.531 -13.490 -2.429 1.00 0.00 C ATOM 748 O GLU A 49 6.480 -13.555 -1.671 1.00 0.00 O ATOM 749 CB GLU A 49 6.000 -11.213 -3.391 1.00 0.00 C ATOM 750 CG GLU A 49 6.011 -11.314 -4.922 1.00 0.00 C ATOM 751 CD GLU A 49 7.260 -12.070 -5.388 1.00 0.00 C ATOM 752 OE1 GLU A 49 8.349 -11.695 -4.978 1.00 0.00 O ATOM 753 OE2 GLU A 49 7.103 -13.012 -6.147 1.00 0.00 O ATOM 0 H GLU A 49 4.984 -11.736 -0.725 1.00 0.00 H new ATOM 0 HA GLU A 49 4.140 -12.316 -3.547 1.00 0.00 H new ATOM 0 HB2 GLU A 49 5.800 -10.185 -3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.979 -11.478 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.114 -11.829 -5.267 1.00 0.00 H new ATOM 0 HG3 GLU A 49 5.995 -10.316 -5.361 1.00 0.00 H new ATOM 760 N ARG A 50 4.975 -14.563 -2.901 1.00 0.00 N ATOM 761 CA ARG A 50 5.519 -15.882 -2.495 1.00 0.00 C ATOM 762 C ARG A 50 6.838 -16.160 -3.220 1.00 0.00 C ATOM 763 O ARG A 50 7.082 -15.663 -4.301 1.00 0.00 O ATOM 764 CB ARG A 50 4.462 -16.923 -2.884 1.00 0.00 C ATOM 765 CG ARG A 50 3.172 -16.699 -2.082 1.00 0.00 C ATOM 766 CD ARG A 50 2.078 -16.102 -2.982 1.00 0.00 C ATOM 767 NE ARG A 50 2.092 -16.918 -4.237 1.00 0.00 N ATOM 768 CZ ARG A 50 1.938 -16.336 -5.397 1.00 0.00 C ATOM 769 NH1 ARG A 50 2.966 -15.777 -5.982 1.00 0.00 N ATOM 770 NH2 ARG A 50 0.763 -16.320 -5.965 1.00 0.00 N ATOM 0 H ARG A 50 4.180 -14.587 -3.540 1.00 0.00 H new ATOM 0 HA ARG A 50 5.726 -15.913 -1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 50 4.251 -16.855 -3.951 1.00 0.00 H new ATOM 0 HB3 ARG A 50 4.844 -17.927 -2.698 1.00 0.00 H new ATOM 0 HG2 ARG A 50 2.829 -17.644 -1.661 1.00 0.00 H new ATOM 0 HG3 ARG A 50 3.368 -16.029 -1.245 1.00 0.00 H new ATOM 0 HD2 ARG A 50 1.103 -16.149 -2.496 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.278 -15.052 -3.196 1.00 0.00 H new ATOM 0 HE ARG A 50 2.222 -17.928 -4.187 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.882 -15.797 -5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 50 2.852 -15.321 -6.887 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.033 -16.761 -5.504 1.00 0.00 H new ATOM 0 HH22 ARG A 50 0.640 -15.866 -6.870 1.00 0.00 H new ATOM 784 N GLY A 51 7.695 -16.938 -2.617 1.00 0.00 N ATOM 785 CA GLY A 51 9.011 -17.243 -3.242 1.00 0.00 C ATOM 786 C GLY A 51 10.107 -16.483 -2.489 1.00 0.00 C ATOM 787 O GLY A 51 11.225 -16.947 -2.376 1.00 0.00 O ATOM 0 H GLY A 51 7.537 -17.378 -1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 51 9.205 -18.315 -3.208 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.005 -16.953 -4.293 1.00 0.00 H new ATOM 791 N THR A 52 9.794 -15.314 -1.971 1.00 0.00 N ATOM 792 CA THR A 52 10.822 -14.524 -1.224 1.00 0.00 C ATOM 793 C THR A 52 10.170 -13.732 -0.077 1.00 0.00 C ATOM 794 O THR A 52 8.969 -13.736 0.100 1.00 0.00 O ATOM 795 CB THR A 52 11.438 -13.550 -2.248 1.00 0.00 C ATOM 796 OG1 THR A 52 10.514 -12.498 -2.533 1.00 0.00 O ATOM 797 CG2 THR A 52 11.797 -14.284 -3.545 1.00 0.00 C ATOM 0 H THR A 52 8.874 -14.878 -2.035 1.00 0.00 H new ATOM 0 HA THR A 52 11.574 -15.178 -0.782 1.00 0.00 H new ATOM 0 HB THR A 52 12.349 -13.130 -1.820 1.00 0.00 H new ATOM 0 HG1 THR A 52 10.075 -12.672 -3.392 1.00 0.00 H new ATOM 0 HG21 THR A 52 12.230 -13.579 -4.254 1.00 0.00 H new ATOM 0 HG22 THR A 52 12.519 -15.072 -3.329 1.00 0.00 H new ATOM 0 HG23 THR A 52 10.897 -14.724 -3.975 1.00 0.00 H new ATOM 805 N LYS A 53 10.971 -13.048 0.697 1.00 0.00 N ATOM 806 CA LYS A 53 10.457 -12.253 1.821 1.00 0.00 C ATOM 807 C LYS A 53 9.804 -10.969 1.302 1.00 0.00 C ATOM 808 O LYS A 53 10.450 -9.950 1.112 1.00 0.00 O ATOM 809 CB LYS A 53 11.703 -11.935 2.660 1.00 0.00 C ATOM 810 CG LYS A 53 12.124 -13.171 3.467 1.00 0.00 C ATOM 811 CD LYS A 53 13.234 -12.790 4.454 1.00 0.00 C ATOM 812 CE LYS A 53 12.896 -13.338 5.848 1.00 0.00 C ATOM 813 NZ LYS A 53 12.311 -12.185 6.595 1.00 0.00 N ATOM 0 H LYS A 53 11.984 -13.015 0.584 1.00 0.00 H new ATOM 0 HA LYS A 53 9.695 -12.776 2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 53 12.519 -11.621 2.009 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.495 -11.104 3.334 1.00 0.00 H new ATOM 0 HG2 LYS A 53 11.267 -13.574 4.006 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.475 -13.954 2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 53 14.189 -13.193 4.116 1.00 0.00 H new ATOM 0 HD3 LYS A 53 13.342 -11.706 4.495 1.00 0.00 H new ATOM 0 HE2 LYS A 53 12.189 -14.165 5.784 1.00 0.00 H new ATOM 0 HE3 LYS A 53 13.787 -13.719 6.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.104 -12.474 7.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.989 -11.397 6.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 11.432 -11.880 6.130 1.00 0.00 H new ATOM 827 N LYS A 54 8.523 -11.030 1.080 1.00 0.00 N ATOM 828 CA LYS A 54 7.762 -9.840 0.582 1.00 0.00 C ATOM 829 C LYS A 54 6.375 -9.775 1.246 1.00 0.00 C ATOM 830 O LYS A 54 5.538 -10.634 1.042 1.00 0.00 O ATOM 831 CB LYS A 54 7.629 -10.053 -0.925 1.00 0.00 C ATOM 832 CG LYS A 54 8.377 -8.947 -1.673 1.00 0.00 C ATOM 833 CD LYS A 54 9.030 -9.534 -2.928 1.00 0.00 C ATOM 834 CE LYS A 54 10.540 -9.295 -2.884 1.00 0.00 C ATOM 835 NZ LYS A 54 11.059 -10.301 -1.914 1.00 0.00 N ATOM 0 H LYS A 54 7.957 -11.866 1.223 1.00 0.00 H new ATOM 0 HA LYS A 54 8.267 -8.903 0.816 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.032 -11.028 -1.201 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.577 -10.050 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.688 -8.148 -1.948 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.136 -8.505 -1.027 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.823 -10.602 -2.991 1.00 0.00 H new ATOM 0 HD3 LYS A 54 8.605 -9.073 -3.820 1.00 0.00 H new ATOM 0 HE2 LYS A 54 10.990 -9.426 -3.868 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.770 -8.280 -2.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.093 -10.212 -1.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.631 -10.136 -0.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.816 -11.257 -2.242 1.00 0.00 H new ATOM 849 N VAL A 55 6.134 -8.750 2.032 1.00 0.00 N ATOM 850 CA VAL A 55 4.816 -8.606 2.733 1.00 0.00 C ATOM 851 C VAL A 55 4.526 -7.128 3.081 1.00 0.00 C ATOM 852 O VAL A 55 5.403 -6.367 3.443 1.00 0.00 O ATOM 853 CB VAL A 55 4.954 -9.454 4.015 1.00 0.00 C ATOM 854 CG1 VAL A 55 4.058 -8.905 5.132 1.00 0.00 C ATOM 855 CG2 VAL A 55 4.538 -10.899 3.724 1.00 0.00 C ATOM 0 H VAL A 55 6.800 -8.001 2.219 1.00 0.00 H new ATOM 0 HA VAL A 55 3.986 -8.936 2.108 1.00 0.00 H new ATOM 0 HB VAL A 55 5.995 -9.414 4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 55 4.172 -9.519 6.025 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.346 -7.878 5.358 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.018 -8.927 4.808 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.636 -11.496 4.631 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.501 -10.918 3.388 1.00 0.00 H new ATOM 0 HG23 VAL A 55 5.180 -11.313 2.946 1.00 0.00 H new ATOM 865 N HIS A 56 3.280 -6.742 2.973 1.00 0.00 N ATOM 866 CA HIS A 56 2.845 -5.341 3.285 1.00 0.00 C ATOM 867 C HIS A 56 1.331 -5.381 3.468 1.00 0.00 C ATOM 868 O HIS A 56 0.647 -5.931 2.636 1.00 0.00 O ATOM 869 CB HIS A 56 3.274 -4.529 2.034 1.00 0.00 C ATOM 870 CG HIS A 56 2.287 -3.428 1.651 1.00 0.00 C ATOM 871 ND1 HIS A 56 0.914 -3.413 1.455 1.00 0.00 N flip ATOM 872 CD2 HIS A 56 2.722 -2.134 1.313 1.00 0.00 C flip ATOM 873 CE1 HIS A 56 0.552 -2.161 1.006 1.00 0.00 C flip ATOM 874 NE2 HIS A 56 1.640 -1.420 0.934 1.00 0.00 N flip ATOM 0 H HIS A 56 2.523 -7.356 2.673 1.00 0.00 H new ATOM 0 HA HIS A 56 3.274 -4.901 4.185 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.251 -4.082 2.219 1.00 0.00 H new ATOM 0 HB3 HIS A 56 3.390 -5.210 1.191 1.00 0.00 H new ATOM 0 HD1 HIS A 56 0.280 -4.196 1.616 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.740 -1.775 1.350 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.449 -1.842 0.756 1.00 0.00 H new ATOM 883 N VAL A 57 0.769 -4.842 4.525 1.00 0.00 N ATOM 884 CA VAL A 57 -0.711 -4.930 4.630 1.00 0.00 C ATOM 885 C VAL A 57 -1.297 -3.526 4.640 1.00 0.00 C ATOM 886 O VAL A 57 -1.053 -2.741 5.528 1.00 0.00 O ATOM 887 CB VAL A 57 -1.011 -5.701 5.922 1.00 0.00 C ATOM 888 CG1 VAL A 57 -2.494 -6.088 5.946 1.00 0.00 C ATOM 889 CG2 VAL A 57 -0.174 -6.984 5.968 1.00 0.00 C ATOM 0 H VAL A 57 1.252 -4.365 5.287 1.00 0.00 H new ATOM 0 HA VAL A 57 -1.162 -5.451 3.785 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.768 -5.070 6.777 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.712 -6.636 6.862 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.106 -5.187 5.908 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.720 -6.717 5.085 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.391 -7.527 6.888 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.420 -7.610 5.110 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.885 -6.729 5.939 1.00 0.00 H new ATOM 899 N PHE A 58 -2.058 -3.210 3.640 1.00 0.00 N ATOM 900 CA PHE A 58 -2.677 -1.863 3.551 1.00 0.00 C ATOM 901 C PHE A 58 -3.961 -1.993 2.714 1.00 0.00 C ATOM 902 O PHE A 58 -4.331 -3.067 2.272 1.00 0.00 O ATOM 903 CB PHE A 58 -1.663 -0.973 2.788 1.00 0.00 C ATOM 904 CG PHE A 58 -0.924 0.066 3.653 1.00 0.00 C ATOM 905 CD1 PHE A 58 -1.436 1.380 3.836 1.00 0.00 C ATOM 906 CD2 PHE A 58 0.332 -0.253 4.192 1.00 0.00 C ATOM 907 CE1 PHE A 58 -0.704 2.336 4.554 1.00 0.00 C ATOM 908 CE2 PHE A 58 1.068 0.716 4.894 1.00 0.00 C ATOM 909 CZ PHE A 58 0.555 2.007 5.075 1.00 0.00 C ATOM 0 H PHE A 58 -2.283 -3.836 2.867 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.914 -1.445 4.529 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.924 -1.618 2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -2.191 -0.450 1.991 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -2.397 1.644 3.418 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.734 -1.247 4.067 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.110 3.325 4.706 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.037 0.464 5.298 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.128 2.747 5.614 1.00 0.00 H new ATOM 919 N LYS A 59 -4.604 -0.903 2.471 1.00 0.00 N ATOM 920 CA LYS A 59 -5.849 -0.903 1.616 1.00 0.00 C ATOM 921 C LYS A 59 -5.746 0.312 0.690 1.00 0.00 C ATOM 922 O LYS A 59 -5.368 1.359 1.144 1.00 0.00 O ATOM 923 CB LYS A 59 -7.028 -0.782 2.590 1.00 0.00 C ATOM 924 CG LYS A 59 -6.887 -1.826 3.711 1.00 0.00 C ATOM 925 CD LYS A 59 -8.070 -1.724 4.681 1.00 0.00 C ATOM 926 CE LYS A 59 -7.768 -2.544 5.944 1.00 0.00 C ATOM 927 NZ LYS A 59 -9.044 -3.242 6.287 1.00 0.00 N ATOM 0 H LYS A 59 -4.332 0.014 2.825 1.00 0.00 H new ATOM 0 HA LYS A 59 -5.975 -1.797 1.005 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -7.058 0.221 3.016 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -7.968 -0.931 2.058 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.844 -2.827 3.282 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.952 -1.669 4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.249 -0.682 4.945 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -8.978 -2.092 4.204 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -6.966 -3.260 5.764 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -7.442 -1.900 6.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -9.059 -3.459 7.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.850 -2.628 6.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -9.113 -4.126 5.744 1.00 0.00 H new ATOM 941 N ALA A 60 -6.012 0.201 -0.599 1.00 0.00 N ATOM 942 CA ALA A 60 -5.806 1.413 -1.476 1.00 0.00 C ATOM 943 C ALA A 60 -7.094 1.926 -2.128 1.00 0.00 C ATOM 944 O ALA A 60 -7.667 1.279 -2.988 1.00 0.00 O ATOM 945 CB ALA A 60 -4.822 0.947 -2.546 1.00 0.00 C ATOM 0 H ALA A 60 -6.349 -0.640 -1.068 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.445 2.253 -0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -4.614 1.769 -3.231 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -3.894 0.626 -2.072 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.254 0.113 -3.100 1.00 0.00 H new ATOM 951 N TRP A 61 -7.532 3.101 -1.731 1.00 0.00 N ATOM 952 CA TRP A 61 -8.797 3.698 -2.309 1.00 0.00 C ATOM 953 C TRP A 61 -8.596 5.166 -2.691 1.00 0.00 C ATOM 954 O TRP A 61 -7.485 5.621 -2.779 1.00 0.00 O ATOM 955 CB TRP A 61 -9.828 3.566 -1.195 1.00 0.00 C ATOM 956 CG TRP A 61 -9.881 2.143 -0.778 1.00 0.00 C ATOM 957 CD1 TRP A 61 -9.832 1.114 -1.625 1.00 0.00 C ATOM 958 CD2 TRP A 61 -9.961 1.585 0.547 1.00 0.00 C ATOM 959 NE1 TRP A 61 -9.907 -0.060 -0.918 1.00 0.00 N ATOM 960 CE2 TRP A 61 -10.002 0.177 0.441 1.00 0.00 C ATOM 961 CE3 TRP A 61 -10.019 2.164 1.810 1.00 0.00 C ATOM 962 CZ2 TRP A 61 -10.103 -0.632 1.569 1.00 0.00 C ATOM 963 CZ3 TRP A 61 -10.117 1.361 2.958 1.00 0.00 C ATOM 964 CH2 TRP A 61 -10.166 -0.039 2.837 1.00 0.00 C ATOM 0 H TRP A 61 -7.070 3.679 -1.029 1.00 0.00 H new ATOM 0 HA TRP A 61 -9.105 3.191 -3.224 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -9.558 4.200 -0.350 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -10.807 3.897 -1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -9.747 1.192 -2.699 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -9.894 -0.988 -1.341 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -9.988 3.239 1.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -10.133 -1.707 1.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -10.155 1.819 3.935 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -10.252 -0.656 3.719 1.00 0.00 H new ATOM 975 N LYS A 62 -9.652 5.918 -2.936 1.00 0.00 N ATOM 976 CA LYS A 62 -9.455 7.361 -3.307 1.00 0.00 C ATOM 977 C LYS A 62 -10.218 8.303 -2.360 1.00 0.00 C ATOM 978 O LYS A 62 -11.356 8.655 -2.602 1.00 0.00 O ATOM 979 CB LYS A 62 -9.983 7.498 -4.736 1.00 0.00 C ATOM 980 CG LYS A 62 -9.081 8.457 -5.522 1.00 0.00 C ATOM 981 CD LYS A 62 -7.686 7.837 -5.685 1.00 0.00 C ATOM 982 CE LYS A 62 -7.079 8.274 -7.024 1.00 0.00 C ATOM 983 NZ LYS A 62 -6.477 9.618 -6.777 1.00 0.00 N ATOM 0 H LYS A 62 -10.621 5.602 -2.896 1.00 0.00 H new ATOM 0 HA LYS A 62 -8.404 7.640 -3.229 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -10.006 6.523 -5.222 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -11.007 7.872 -4.723 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -9.516 8.661 -6.501 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -9.007 9.412 -5.001 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -7.041 8.148 -4.863 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -7.753 6.750 -5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -6.325 7.564 -7.362 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -7.841 8.324 -7.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.786 10.278 -7.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -6.785 9.971 -5.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -5.440 9.542 -6.792 1.00 0.00 H new ATOM 997 N GLU A 63 -9.557 8.736 -1.310 1.00 0.00 N ATOM 998 CA GLU A 63 -10.167 9.700 -0.320 1.00 0.00 C ATOM 999 C GLU A 63 -9.061 10.317 0.593 1.00 0.00 C ATOM 1000 O GLU A 63 -7.888 10.147 0.358 1.00 0.00 O ATOM 1001 CB GLU A 63 -11.182 8.895 0.483 1.00 0.00 C ATOM 1002 CG GLU A 63 -12.561 8.952 -0.180 1.00 0.00 C ATOM 1003 CD GLU A 63 -13.584 9.472 0.831 1.00 0.00 C ATOM 1004 OE1 GLU A 63 -14.051 8.680 1.634 1.00 0.00 O ATOM 1005 OE2 GLU A 63 -13.877 10.654 0.787 1.00 0.00 O ATOM 0 H GLU A 63 -8.601 8.459 -1.089 1.00 0.00 H new ATOM 0 HA GLU A 63 -10.653 10.540 -0.817 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -10.853 7.859 0.561 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.244 9.287 1.498 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.531 9.604 -1.053 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.850 7.961 -0.531 1.00 0.00 H new ATOM 1012 N ILE A 64 -9.403 11.075 1.610 1.00 0.00 N ATOM 1013 CA ILE A 64 -8.320 11.734 2.451 1.00 0.00 C ATOM 1014 C ILE A 64 -7.889 10.966 3.738 1.00 0.00 C ATOM 1015 O ILE A 64 -8.512 11.095 4.775 1.00 0.00 O ATOM 1016 CB ILE A 64 -8.928 13.105 2.820 1.00 0.00 C ATOM 1017 CG1 ILE A 64 -7.980 13.869 3.753 1.00 0.00 C ATOM 1018 CG2 ILE A 64 -10.279 12.920 3.526 1.00 0.00 C ATOM 1019 CD1 ILE A 64 -8.489 15.300 3.938 1.00 0.00 C ATOM 0 H ILE A 64 -10.362 11.270 1.899 1.00 0.00 H new ATOM 0 HA ILE A 64 -7.393 11.776 1.879 1.00 0.00 H new ATOM 0 HB ILE A 64 -9.074 13.671 1.900 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.919 13.366 4.718 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -6.973 13.881 3.335 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -10.694 13.896 3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.967 12.394 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -10.137 12.339 4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -7.815 15.843 4.601 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -8.527 15.800 2.970 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -9.488 15.277 4.375 1.00 0.00 H new ATOM 1031 N VAL A 65 -6.785 10.215 3.708 1.00 0.00 N ATOM 1032 CA VAL A 65 -6.315 9.539 4.959 1.00 0.00 C ATOM 1033 C VAL A 65 -5.109 10.321 5.521 1.00 0.00 C ATOM 1034 O VAL A 65 -4.822 11.426 5.094 1.00 0.00 O ATOM 1035 CB VAL A 65 -5.911 8.094 4.601 1.00 0.00 C ATOM 1036 CG1 VAL A 65 -7.133 7.177 4.669 1.00 0.00 C ATOM 1037 CG2 VAL A 65 -5.289 8.023 3.203 1.00 0.00 C ATOM 0 H VAL A 65 -6.210 10.053 2.881 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.100 9.516 5.715 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.166 7.763 5.325 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -6.838 6.159 4.415 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -7.545 7.194 5.678 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -7.888 7.523 3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.014 6.992 2.979 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.010 8.375 2.466 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.399 8.651 3.168 1.00 0.00 H new ATOM 1047 N ASP A 66 -4.421 9.755 6.479 1.00 0.00 N ATOM 1048 CA ASP A 66 -3.239 10.429 7.100 1.00 0.00 C ATOM 1049 C ASP A 66 -1.934 9.665 6.799 1.00 0.00 C ATOM 1050 O ASP A 66 -1.925 8.454 6.706 1.00 0.00 O ATOM 1051 CB ASP A 66 -3.511 10.441 8.608 1.00 0.00 C ATOM 1052 CG ASP A 66 -2.859 11.685 9.232 1.00 0.00 C ATOM 1053 OD1 ASP A 66 -1.823 12.106 8.735 1.00 0.00 O ATOM 1054 OD2 ASP A 66 -3.406 12.196 10.193 1.00 0.00 O ATOM 0 H ASP A 66 -4.633 8.835 6.865 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.109 11.434 6.700 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.585 10.446 8.795 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.112 9.537 9.068 1.00 0.00 H new ATOM 1059 N ALA A 67 -0.846 10.389 6.639 1.00 0.00 N ATOM 1060 CA ALA A 67 0.505 9.796 6.313 1.00 0.00 C ATOM 1061 C ALA A 67 1.070 8.937 7.438 1.00 0.00 C ATOM 1062 O ALA A 67 1.608 9.486 8.345 1.00 0.00 O ATOM 1063 CB ALA A 67 1.421 11.014 6.184 1.00 0.00 C ATOM 0 H ALA A 67 -0.836 11.405 6.724 1.00 0.00 H new ATOM 0 HA ALA A 67 0.428 9.161 5.430 1.00 0.00 H new ATOM 0 HB1 ALA A 67 2.433 10.685 5.946 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.054 11.663 5.388 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.430 11.564 7.125 1.00 0.00 H new ATOM 1069 N PRO A 68 0.976 7.626 7.324 1.00 0.00 N ATOM 1070 CA PRO A 68 1.518 6.714 8.385 1.00 0.00 C ATOM 1071 C PRO A 68 3.055 6.724 8.386 1.00 0.00 C ATOM 1072 O PRO A 68 3.686 5.717 8.099 1.00 0.00 O ATOM 1073 CB PRO A 68 1.020 5.335 7.946 1.00 0.00 C ATOM 1074 CG PRO A 68 0.835 5.464 6.466 1.00 0.00 C ATOM 1075 CD PRO A 68 0.379 6.870 6.219 1.00 0.00 C ATOM 0 HA PRO A 68 1.202 7.003 9.387 1.00 0.00 H new ATOM 0 HB2 PRO A 68 1.741 4.555 8.190 1.00 0.00 H new ATOM 0 HB3 PRO A 68 0.086 5.073 8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 68 1.767 5.259 5.939 1.00 0.00 H new ATOM 0 HG3 PRO A 68 0.099 4.747 6.102 1.00 0.00 H new ATOM 0 HD2 PRO A 68 0.720 7.238 5.251 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -0.708 6.945 6.223 1.00 0.00 H new ATOM 1083 N LYS A 69 3.670 7.843 8.692 1.00 0.00 N ATOM 1084 CA LYS A 69 5.170 7.907 8.682 1.00 0.00 C ATOM 1085 C LYS A 69 5.678 7.338 7.349 1.00 0.00 C ATOM 1086 O LYS A 69 6.646 6.600 7.288 1.00 0.00 O ATOM 1087 CB LYS A 69 5.633 7.049 9.868 1.00 0.00 C ATOM 1088 CG LYS A 69 5.659 7.902 11.139 1.00 0.00 C ATOM 1089 CD LYS A 69 7.103 8.054 11.631 1.00 0.00 C ATOM 1090 CE LYS A 69 7.158 7.842 13.148 1.00 0.00 C ATOM 1091 NZ LYS A 69 6.607 9.096 13.741 1.00 0.00 N ATOM 0 H LYS A 69 3.201 8.712 8.947 1.00 0.00 H new ATOM 0 HA LYS A 69 5.553 8.923 8.775 1.00 0.00 H new ATOM 0 HB2 LYS A 69 4.961 6.201 10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 69 6.625 6.642 9.670 1.00 0.00 H new ATOM 0 HG2 LYS A 69 5.228 8.883 10.939 1.00 0.00 H new ATOM 0 HG3 LYS A 69 5.048 7.437 11.913 1.00 0.00 H new ATOM 0 HD2 LYS A 69 7.746 7.331 11.130 1.00 0.00 H new ATOM 0 HD3 LYS A 69 7.481 9.045 11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.569 6.974 13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 69 8.180 7.664 13.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 7.221 9.411 14.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 6.565 9.836 13.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 5.650 8.916 14.107 1.00 0.00 H new ATOM 1105 N ASN A 70 4.996 7.679 6.282 1.00 0.00 N ATOM 1106 CA ASN A 70 5.361 7.184 4.916 1.00 0.00 C ATOM 1107 C ASN A 70 6.804 7.499 4.549 1.00 0.00 C ATOM 1108 O ASN A 70 7.324 6.943 3.606 1.00 0.00 O ATOM 1109 CB ASN A 70 4.470 7.972 3.968 1.00 0.00 C ATOM 1110 CG ASN A 70 3.124 7.289 3.810 1.00 0.00 C ATOM 1111 OD1 ASN A 70 2.112 7.898 4.051 1.00 0.00 O ATOM 1112 ND2 ASN A 70 3.066 6.054 3.405 1.00 0.00 N ATOM 0 H ASN A 70 4.183 8.294 6.301 1.00 0.00 H new ATOM 0 HA ASN A 70 5.239 6.102 4.867 1.00 0.00 H new ATOM 0 HB2 ASN A 70 4.328 8.983 4.349 1.00 0.00 H new ATOM 0 HB3 ASN A 70 4.954 8.063 2.996 1.00 0.00 H new ATOM 0 HD21 ASN A 70 2.161 5.597 3.290 1.00 0.00 H new ATOM 0 HD22 ASN A 70 3.925 5.543 3.202 1.00 0.00 H new ATOM 1119 N ARG A 71 7.407 8.440 5.234 1.00 0.00 N ATOM 1120 CA ARG A 71 8.798 8.886 4.915 1.00 0.00 C ATOM 1121 C ARG A 71 8.942 9.200 3.404 1.00 0.00 C ATOM 1122 O ARG A 71 9.928 8.835 2.788 1.00 0.00 O ATOM 1123 CB ARG A 71 9.728 7.744 5.398 1.00 0.00 C ATOM 1124 CG ARG A 71 9.771 6.577 4.400 1.00 0.00 C ATOM 1125 CD ARG A 71 9.084 5.339 5.001 1.00 0.00 C ATOM 1126 NE ARG A 71 10.037 4.220 4.744 1.00 0.00 N ATOM 1127 CZ ARG A 71 10.957 3.936 5.625 1.00 0.00 C ATOM 1128 NH1 ARG A 71 12.086 4.590 5.616 1.00 0.00 N ATOM 1129 NH2 ARG A 71 10.745 3.004 6.517 1.00 0.00 N ATOM 0 H ARG A 71 6.981 8.929 6.021 1.00 0.00 H new ATOM 0 HA ARG A 71 9.063 9.816 5.418 1.00 0.00 H new ATOM 0 HB2 ARG A 71 10.735 8.134 5.544 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.384 7.381 6.366 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.275 6.863 3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 71 10.805 6.342 4.148 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.900 5.466 6.068 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.118 5.154 4.531 1.00 0.00 H new ATOM 0 HE ARG A 71 9.970 3.679 3.882 1.00 0.00 H new ATOM 0 HH11 ARG A 71 12.247 5.320 4.922 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.808 4.371 6.303 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.860 2.498 6.525 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.465 2.783 7.205 1.00 0.00 H new ATOM 1143 N PRO A 72 7.947 9.884 2.845 1.00 0.00 N ATOM 1144 CA PRO A 72 7.971 10.249 1.419 1.00 0.00 C ATOM 1145 C PRO A 72 8.412 11.707 1.274 1.00 0.00 C ATOM 1146 O PRO A 72 7.935 12.574 1.986 1.00 0.00 O ATOM 1147 CB PRO A 72 6.508 10.132 1.024 1.00 0.00 C ATOM 1148 CG PRO A 72 5.733 10.368 2.291 1.00 0.00 C ATOM 1149 CD PRO A 72 6.708 10.381 3.448 1.00 0.00 C ATOM 0 HA PRO A 72 8.645 9.636 0.820 1.00 0.00 H new ATOM 0 HB2 PRO A 72 6.247 10.866 0.261 1.00 0.00 H new ATOM 0 HB3 PRO A 72 6.291 9.148 0.608 1.00 0.00 H new ATOM 0 HG2 PRO A 72 5.195 11.315 2.237 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.987 9.586 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.833 11.383 3.858 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.373 9.742 4.265 1.00 0.00 H new ATOM 1157 N ALA A 73 9.290 12.000 0.365 1.00 0.00 N ATOM 1158 CA ALA A 73 9.715 13.421 0.204 1.00 0.00 C ATOM 1159 C ALA A 73 8.757 14.181 -0.709 1.00 0.00 C ATOM 1160 O ALA A 73 8.600 15.380 -0.601 1.00 0.00 O ATOM 1161 CB ALA A 73 11.122 13.369 -0.395 1.00 0.00 C ATOM 0 H ALA A 73 9.730 11.332 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 73 9.707 13.949 1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 73 11.494 14.383 -0.539 1.00 0.00 H new ATOM 0 HB2 ALA A 73 11.786 12.832 0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 73 11.090 12.855 -1.355 1.00 0.00 H new ATOM 1167 N TRP A 74 8.137 13.496 -1.615 1.00 0.00 N ATOM 1168 CA TRP A 74 7.206 14.152 -2.564 1.00 0.00 C ATOM 1169 C TRP A 74 5.798 14.296 -1.961 1.00 0.00 C ATOM 1170 O TRP A 74 5.114 15.270 -2.211 1.00 0.00 O ATOM 1171 CB TRP A 74 7.190 13.206 -3.770 1.00 0.00 C ATOM 1172 CG TRP A 74 8.598 12.914 -4.210 1.00 0.00 C ATOM 1173 CD1 TRP A 74 9.433 12.002 -3.648 1.00 0.00 C ATOM 1174 CD2 TRP A 74 9.342 13.532 -5.285 1.00 0.00 C ATOM 1175 NE1 TRP A 74 10.638 12.026 -4.325 1.00 0.00 N ATOM 1176 CE2 TRP A 74 10.629 12.954 -5.347 1.00 0.00 C ATOM 1177 CE3 TRP A 74 9.014 14.529 -6.202 1.00 0.00 C ATOM 1178 CZ2 TRP A 74 11.564 13.360 -6.301 1.00 0.00 C ATOM 1179 CZ3 TRP A 74 9.947 14.946 -7.166 1.00 0.00 C ATOM 1180 CH2 TRP A 74 11.221 14.360 -7.216 1.00 0.00 C ATOM 0 H TRP A 74 8.237 12.489 -1.742 1.00 0.00 H new ATOM 0 HA TRP A 74 7.518 15.164 -2.821 1.00 0.00 H new ATOM 0 HB2 TRP A 74 6.682 12.278 -3.509 1.00 0.00 H new ATOM 0 HB3 TRP A 74 6.630 13.657 -4.589 1.00 0.00 H new ATOM 0 HD1 TRP A 74 9.195 11.363 -2.810 1.00 0.00 H new ATOM 0 HE1 TRP A 74 11.435 11.432 -4.098 1.00 0.00 H new ATOM 0 HE3 TRP A 74 8.035 14.984 -6.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 12.543 12.906 -6.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 9.683 15.720 -7.871 1.00 0.00 H new ATOM 0 HH2 TRP A 74 11.935 14.681 -7.960 1.00 0.00 H new ATOM 1191 N MET A 75 5.355 13.333 -1.180 1.00 0.00 N ATOM 1192 CA MET A 75 3.974 13.423 -0.576 1.00 0.00 C ATOM 1193 C MET A 75 3.701 12.259 0.398 1.00 0.00 C ATOM 1194 O MET A 75 3.923 11.115 0.055 1.00 0.00 O ATOM 1195 CB MET A 75 3.001 13.349 -1.763 1.00 0.00 C ATOM 1196 CG MET A 75 1.567 13.575 -1.270 1.00 0.00 C ATOM 1197 SD MET A 75 1.349 15.315 -0.817 1.00 0.00 S ATOM 1198 CE MET A 75 -0.003 15.684 -1.961 1.00 0.00 C ATOM 0 H MET A 75 5.882 12.495 -0.934 1.00 0.00 H new ATOM 0 HA MET A 75 3.863 14.342 0.000 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.263 14.101 -2.508 1.00 0.00 H new ATOM 0 HB3 MET A 75 3.080 12.377 -2.250 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.856 13.299 -2.049 1.00 0.00 H new ATOM 0 HG3 MET A 75 1.362 12.936 -0.411 1.00 0.00 H new ATOM 0 HE1 MET A 75 -0.476 16.623 -1.674 1.00 0.00 H new ATOM 0 HE2 MET A 75 0.391 15.771 -2.974 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.739 14.881 -1.925 1.00 0.00 H new ATOM 1208 N PRO A 76 3.194 12.593 1.568 1.00 0.00 N ATOM 1209 CA PRO A 76 2.846 11.582 2.605 1.00 0.00 C ATOM 1210 C PRO A 76 1.374 11.164 2.509 1.00 0.00 C ATOM 1211 O PRO A 76 0.658 11.618 1.635 1.00 0.00 O ATOM 1212 CB PRO A 76 3.131 12.343 3.897 1.00 0.00 C ATOM 1213 CG PRO A 76 3.011 13.807 3.557 1.00 0.00 C ATOM 1214 CD PRO A 76 2.912 13.941 2.055 1.00 0.00 C ATOM 0 HA PRO A 76 3.403 10.649 2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 76 2.422 12.065 4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.127 12.111 4.274 1.00 0.00 H new ATOM 0 HG2 PRO A 76 2.131 14.236 4.035 1.00 0.00 H new ATOM 0 HG3 PRO A 76 3.876 14.355 3.931 1.00 0.00 H new ATOM 0 HD2 PRO A 76 1.922 14.279 1.747 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.630 14.665 1.669 1.00 0.00 H new ATOM 1222 N GLU A 77 0.898 10.294 3.389 1.00 0.00 N ATOM 1223 CA GLU A 77 -0.541 9.893 3.265 1.00 0.00 C ATOM 1224 C GLU A 77 -1.444 10.878 4.002 1.00 0.00 C ATOM 1225 O GLU A 77 -2.630 10.647 4.123 1.00 0.00 O ATOM 1226 CB GLU A 77 -0.655 8.479 3.851 1.00 0.00 C ATOM 1227 CG GLU A 77 -1.889 7.766 3.311 1.00 0.00 C ATOM 1228 CD GLU A 77 -2.270 6.642 4.279 1.00 0.00 C ATOM 1229 OE1 GLU A 77 -1.502 5.701 4.399 1.00 0.00 O ATOM 1230 OE2 GLU A 77 -3.312 6.744 4.899 1.00 0.00 O ATOM 0 H GLU A 77 1.422 9.866 4.152 1.00 0.00 H new ATOM 0 HA GLU A 77 -0.864 9.902 2.224 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.239 7.905 3.605 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -0.708 8.535 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -2.715 8.469 3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.687 7.359 2.320 1.00 0.00 H new ATOM 1237 N LYS A 78 -0.913 11.994 4.462 1.00 0.00 N ATOM 1238 CA LYS A 78 -1.802 12.986 5.167 1.00 0.00 C ATOM 1239 C LYS A 78 -2.391 13.912 4.133 1.00 0.00 C ATOM 1240 O LYS A 78 -1.887 15.004 3.897 1.00 0.00 O ATOM 1241 CB LYS A 78 -0.921 13.757 6.174 1.00 0.00 C ATOM 1242 CG LYS A 78 0.343 14.302 5.495 1.00 0.00 C ATOM 1243 CD LYS A 78 0.744 15.632 6.146 1.00 0.00 C ATOM 1244 CE LYS A 78 0.565 16.780 5.144 1.00 0.00 C ATOM 1245 NZ LYS A 78 -0.911 16.937 4.978 1.00 0.00 N ATOM 0 H LYS A 78 0.069 12.257 4.384 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.620 12.502 5.700 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -1.491 14.581 6.605 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.641 13.099 6.996 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.156 13.582 5.585 1.00 0.00 H new ATOM 0 HG3 LYS A 78 0.162 14.447 4.430 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.134 15.812 7.031 1.00 0.00 H new ATOM 0 HD3 LYS A 78 1.781 15.586 6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 78 1.018 17.699 5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.045 16.549 4.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.122 17.899 4.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.258 16.246 4.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.382 16.776 5.891 1.00 0.00 H new ATOM 1259 N ILE A 79 -3.447 13.478 3.485 1.00 0.00 N ATOM 1260 CA ILE A 79 -4.040 14.355 2.413 1.00 0.00 C ATOM 1261 C ILE A 79 -5.251 13.712 1.726 1.00 0.00 C ATOM 1262 O ILE A 79 -5.452 12.511 1.795 1.00 0.00 O ATOM 1263 CB ILE A 79 -2.875 14.589 1.391 1.00 0.00 C ATOM 1264 CG1 ILE A 79 -3.388 14.635 -0.060 1.00 0.00 C ATOM 1265 CG2 ILE A 79 -1.793 13.483 1.482 1.00 0.00 C ATOM 1266 CD1 ILE A 79 -3.728 16.077 -0.441 1.00 0.00 C ATOM 0 H ILE A 79 -3.915 12.585 3.641 1.00 0.00 H new ATOM 0 HA ILE A 79 -4.419 15.285 2.837 1.00 0.00 H new ATOM 0 HB ILE A 79 -2.438 15.551 1.658 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -2.631 14.239 -0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -4.270 14.003 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.005 13.685 0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 79 -1.368 13.471 2.486 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -2.244 12.514 1.268 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -4.091 16.106 -1.468 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -4.500 16.457 0.227 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -2.835 16.696 -0.354 1.00 0.00 H new ATOM 1278 N SER A 80 -6.002 14.507 0.988 1.00 0.00 N ATOM 1279 CA SER A 80 -7.153 13.960 0.193 1.00 0.00 C ATOM 1280 C SER A 80 -6.536 13.306 -1.043 1.00 0.00 C ATOM 1281 O SER A 80 -6.011 13.988 -1.905 1.00 0.00 O ATOM 1282 CB SER A 80 -8.013 15.168 -0.205 1.00 0.00 C ATOM 1283 OG SER A 80 -8.279 15.970 0.940 1.00 0.00 O ATOM 0 H SER A 80 -5.864 15.514 0.904 1.00 0.00 H new ATOM 0 HA SER A 80 -7.764 13.236 0.732 1.00 0.00 H new ATOM 0 HB2 SER A 80 -7.498 15.759 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 80 -8.949 14.829 -0.648 1.00 0.00 H new ATOM 0 HG SER A 80 -8.826 16.740 0.680 1.00 0.00 H new ATOM 1289 N LYS A 81 -6.517 11.998 -1.110 1.00 0.00 N ATOM 1290 CA LYS A 81 -5.838 11.323 -2.272 1.00 0.00 C ATOM 1291 C LYS A 81 -6.146 9.815 -2.214 1.00 0.00 C ATOM 1292 O LYS A 81 -7.178 9.456 -1.718 1.00 0.00 O ATOM 1293 CB LYS A 81 -4.342 11.683 -2.108 1.00 0.00 C ATOM 1294 CG LYS A 81 -3.891 11.493 -0.655 1.00 0.00 C ATOM 1295 CD LYS A 81 -3.526 10.030 -0.380 1.00 0.00 C ATOM 1296 CE LYS A 81 -4.103 9.595 0.973 1.00 0.00 C ATOM 1297 NZ LYS A 81 -3.807 10.716 1.916 1.00 0.00 N ATOM 0 H LYS A 81 -6.935 11.371 -0.423 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.178 11.644 -3.257 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.739 11.057 -2.765 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.177 12.717 -2.412 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -3.031 12.131 -0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.687 11.806 0.021 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -3.916 9.393 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -2.443 9.910 -0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -5.176 9.416 0.902 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -3.646 8.666 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -3.589 10.330 2.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -2.991 11.257 1.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.635 11.342 1.982 1.00 0.00 H new ATOM 1311 N PRO A 82 -5.312 8.944 -2.732 1.00 0.00 N ATOM 1312 CA PRO A 82 -5.679 7.521 -2.642 1.00 0.00 C ATOM 1313 C PRO A 82 -5.537 7.030 -1.185 1.00 0.00 C ATOM 1314 O PRO A 82 -4.486 7.151 -0.576 1.00 0.00 O ATOM 1315 CB PRO A 82 -4.693 6.823 -3.569 1.00 0.00 C ATOM 1316 CG PRO A 82 -3.515 7.735 -3.630 1.00 0.00 C ATOM 1317 CD PRO A 82 -4.021 9.135 -3.413 1.00 0.00 C ATOM 0 HA PRO A 82 -6.712 7.322 -2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -4.414 5.842 -3.184 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -5.123 6.666 -4.558 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -2.783 7.469 -2.868 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.015 7.652 -4.595 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -3.331 9.719 -2.804 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -4.142 9.667 -4.357 1.00 0.00 H new ATOM 1325 N PHE A 83 -6.599 6.494 -0.616 1.00 0.00 N ATOM 1326 CA PHE A 83 -6.547 6.003 0.788 1.00 0.00 C ATOM 1327 C PHE A 83 -5.538 4.890 0.924 1.00 0.00 C ATOM 1328 O PHE A 83 -5.171 4.234 -0.031 1.00 0.00 O ATOM 1329 CB PHE A 83 -7.911 5.371 1.059 1.00 0.00 C ATOM 1330 CG PHE A 83 -8.850 6.320 1.739 1.00 0.00 C ATOM 1331 CD1 PHE A 83 -8.419 7.586 2.121 1.00 0.00 C ATOM 1332 CD2 PHE A 83 -10.176 5.929 1.981 1.00 0.00 C ATOM 1333 CE1 PHE A 83 -9.290 8.449 2.738 1.00 0.00 C ATOM 1334 CE2 PHE A 83 -11.049 6.814 2.598 1.00 0.00 C ATOM 1335 CZ PHE A 83 -10.590 8.075 2.974 1.00 0.00 C ATOM 0 H PHE A 83 -7.502 6.379 -1.076 1.00 0.00 H new ATOM 0 HA PHE A 83 -6.289 6.821 1.461 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -8.350 5.041 0.118 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -7.782 4.484 1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -7.400 7.890 1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -10.515 4.946 1.689 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -8.951 9.429 3.040 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -12.074 6.528 2.785 1.00 0.00 H new ATOM 0 HZ PHE A 83 -11.265 8.766 3.457 1.00 0.00 H new ATOM 1345 N VAL A 84 -5.135 4.655 2.127 1.00 0.00 N ATOM 1346 CA VAL A 84 -4.182 3.563 2.387 1.00 0.00 C ATOM 1347 C VAL A 84 -4.333 3.101 3.844 1.00 0.00 C ATOM 1348 O VAL A 84 -3.728 3.660 4.739 1.00 0.00 O ATOM 1349 CB VAL A 84 -2.757 4.113 2.132 1.00 0.00 C ATOM 1350 CG1 VAL A 84 -1.999 3.152 1.215 1.00 0.00 C ATOM 1351 CG2 VAL A 84 -2.797 5.491 1.458 1.00 0.00 C ATOM 0 H VAL A 84 -5.429 5.179 2.951 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.369 2.709 1.736 1.00 0.00 H new ATOM 0 HB VAL A 84 -2.259 4.207 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.996 3.537 1.034 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.932 2.173 1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.529 3.060 0.267 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -1.779 5.846 1.295 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.312 5.413 0.501 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.328 6.195 2.099 1.00 0.00 H new ATOM 1361 N LYS A 85 -5.105 2.069 4.098 1.00 0.00 N ATOM 1362 CA LYS A 85 -5.220 1.590 5.516 1.00 0.00 C ATOM 1363 C LYS A 85 -3.882 0.951 5.833 1.00 0.00 C ATOM 1364 O LYS A 85 -3.342 0.265 5.006 1.00 0.00 O ATOM 1365 CB LYS A 85 -6.365 0.581 5.564 1.00 0.00 C ATOM 1366 CG LYS A 85 -7.244 0.877 6.785 1.00 0.00 C ATOM 1367 CD LYS A 85 -8.186 2.045 6.473 1.00 0.00 C ATOM 1368 CE LYS A 85 -8.273 2.978 7.690 1.00 0.00 C ATOM 1369 NZ LYS A 85 -9.437 3.881 7.426 1.00 0.00 N ATOM 0 H LYS A 85 -5.647 1.550 3.407 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.435 2.375 6.241 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -6.957 0.641 4.651 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.970 -0.433 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.822 -0.008 7.052 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -6.619 1.121 7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -7.823 2.596 5.605 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -9.177 1.668 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -8.419 2.410 8.609 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -7.353 3.550 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -9.550 4.543 8.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -9.269 4.417 6.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -10.302 3.312 7.324 1.00 0.00 H new ATOM 1383 N LYS A 86 -3.311 1.250 6.967 1.00 0.00 N ATOM 1384 CA LYS A 86 -1.941 0.768 7.278 1.00 0.00 C ATOM 1385 C LYS A 86 -1.884 -0.422 8.218 1.00 0.00 C ATOM 1386 O LYS A 86 -1.761 -0.294 9.424 1.00 0.00 O ATOM 1387 CB LYS A 86 -1.238 1.964 7.941 1.00 0.00 C ATOM 1388 CG LYS A 86 -1.645 3.278 7.263 1.00 0.00 C ATOM 1389 CD LYS A 86 -2.524 4.108 8.205 1.00 0.00 C ATOM 1390 CE LYS A 86 -3.030 5.348 7.457 1.00 0.00 C ATOM 1391 NZ LYS A 86 -2.318 6.509 8.074 1.00 0.00 N ATOM 0 H LYS A 86 -3.743 1.815 7.698 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.473 0.420 6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -1.494 2.001 9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -0.157 1.837 7.879 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.756 3.845 6.989 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.185 3.068 6.340 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.366 3.512 8.557 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.955 4.406 9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.814 5.278 6.391 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -4.110 5.453 7.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -2.372 7.328 7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.765 6.747 8.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.321 6.260 8.234 1.00 0.00 H new ATOM 1405 N GLU A 87 -1.864 -1.568 7.648 1.00 0.00 N ATOM 1406 CA GLU A 87 -1.689 -2.812 8.451 1.00 0.00 C ATOM 1407 C GLU A 87 -0.178 -3.149 8.472 1.00 0.00 C ATOM 1408 O GLU A 87 0.601 -2.616 7.687 1.00 0.00 O ATOM 1409 CB GLU A 87 -2.511 -3.893 7.754 1.00 0.00 C ATOM 1410 CG GLU A 87 -3.982 -3.761 8.155 1.00 0.00 C ATOM 1411 CD GLU A 87 -4.735 -2.967 7.089 1.00 0.00 C ATOM 1412 OE1 GLU A 87 -4.825 -3.451 5.971 1.00 0.00 O ATOM 1413 OE2 GLU A 87 -5.214 -1.893 7.409 1.00 0.00 O ATOM 0 H GLU A 87 -1.962 -1.715 6.643 1.00 0.00 H new ATOM 0 HA GLU A 87 -2.026 -2.716 9.483 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.409 -3.800 6.673 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.137 -4.880 8.026 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -4.428 -4.749 8.270 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.063 -3.261 9.120 1.00 0.00 H new ATOM 1420 N ARG A 88 0.249 -3.997 9.373 1.00 0.00 N ATOM 1421 CA ARG A 88 1.720 -4.298 9.498 1.00 0.00 C ATOM 1422 C ARG A 88 2.362 -4.768 8.183 1.00 0.00 C ATOM 1423 O ARG A 88 1.755 -5.425 7.362 1.00 0.00 O ATOM 1424 CB ARG A 88 1.814 -5.407 10.549 1.00 0.00 C ATOM 1425 CG ARG A 88 1.943 -4.782 11.942 1.00 0.00 C ATOM 1426 CD ARG A 88 2.774 -5.701 12.844 1.00 0.00 C ATOM 1427 NE ARG A 88 3.914 -4.859 13.316 1.00 0.00 N ATOM 1428 CZ ARG A 88 5.138 -5.172 12.987 1.00 0.00 C ATOM 1429 NH1 ARG A 88 5.805 -6.027 13.715 1.00 0.00 N ATOM 1430 NH2 ARG A 88 5.684 -4.639 11.927 1.00 0.00 N ATOM 0 H ARG A 88 -0.351 -4.496 10.029 1.00 0.00 H new ATOM 0 HA ARG A 88 2.262 -3.393 9.773 1.00 0.00 H new ATOM 0 HB2 ARG A 88 0.929 -6.041 10.504 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.674 -6.045 10.344 1.00 0.00 H new ATOM 0 HG2 ARG A 88 2.416 -3.803 11.870 1.00 0.00 H new ATOM 0 HG3 ARG A 88 0.955 -4.628 12.375 1.00 0.00 H new ATOM 0 HD2 ARG A 88 2.183 -6.069 13.682 1.00 0.00 H new ATOM 0 HD3 ARG A 88 3.129 -6.574 12.296 1.00 0.00 H new ATOM 0 HE ARG A 88 3.736 -4.039 13.896 1.00 0.00 H new ATOM 0 HH11 ARG A 88 5.369 -6.447 14.536 1.00 0.00 H new ATOM 0 HH12 ARG A 88 6.762 -6.275 13.462 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.154 -3.979 11.358 1.00 0.00 H new ATOM 0 HH22 ARG A 88 6.640 -4.883 11.669 1.00 0.00 H new ATOM 1444 N ILE A 89 3.612 -4.403 8.006 1.00 0.00 N ATOM 1445 CA ILE A 89 4.377 -4.774 6.775 1.00 0.00 C ATOM 1446 C ILE A 89 5.715 -5.414 7.175 1.00 0.00 C ATOM 1447 O ILE A 89 6.285 -5.074 8.196 1.00 0.00 O ATOM 1448 CB ILE A 89 4.639 -3.438 6.061 1.00 0.00 C ATOM 1449 CG1 ILE A 89 3.316 -2.791 5.644 1.00 0.00 C ATOM 1450 CG2 ILE A 89 5.503 -3.667 4.816 1.00 0.00 C ATOM 1451 CD1 ILE A 89 3.580 -1.370 5.144 1.00 0.00 C ATOM 0 H ILE A 89 4.143 -3.851 8.680 1.00 0.00 H new ATOM 0 HA ILE A 89 3.839 -5.485 6.147 1.00 0.00 H new ATOM 0 HB ILE A 89 5.163 -2.776 6.751 1.00 0.00 H new ATOM 0 HG12 ILE A 89 2.841 -3.381 4.861 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.627 -2.769 6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.683 -2.714 4.318 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.455 -4.108 5.110 1.00 0.00 H new ATOM 0 HG23 ILE A 89 4.986 -4.342 4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 89 2.639 -0.908 4.847 1.00 0.00 H new ATOM 0 HD12 ILE A 89 4.037 -0.783 5.941 1.00 0.00 H new ATOM 0 HD13 ILE A 89 4.253 -1.405 4.288 1.00 0.00 H new ATOM 1463 N GLU A 90 6.228 -6.313 6.375 1.00 0.00 N ATOM 1464 CA GLU A 90 7.540 -6.951 6.699 1.00 0.00 C ATOM 1465 C GLU A 90 8.123 -7.635 5.454 1.00 0.00 C ATOM 1466 O GLU A 90 7.584 -7.536 4.368 1.00 0.00 O ATOM 1467 CB GLU A 90 7.248 -7.974 7.805 1.00 0.00 C ATOM 1468 CG GLU A 90 8.077 -7.633 9.053 1.00 0.00 C ATOM 1469 CD GLU A 90 9.548 -7.434 8.669 1.00 0.00 C ATOM 1470 OE1 GLU A 90 10.134 -8.360 8.132 1.00 0.00 O ATOM 1471 OE2 GLU A 90 10.065 -6.348 8.892 1.00 0.00 O ATOM 0 H GLU A 90 5.794 -6.634 5.509 1.00 0.00 H new ATOM 0 HA GLU A 90 8.277 -6.218 7.027 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.186 -7.968 8.049 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.490 -8.979 7.458 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.689 -6.728 9.521 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.990 -8.434 9.787 1.00 0.00 H new ATOM 1478 N LYS A 91 9.223 -8.323 5.597 1.00 0.00 N ATOM 1479 CA LYS A 91 9.835 -9.005 4.420 1.00 0.00 C ATOM 1480 C LYS A 91 9.779 -10.524 4.615 1.00 0.00 C ATOM 1481 O LYS A 91 10.636 -11.101 5.268 1.00 0.00 O ATOM 1482 CB LYS A 91 11.293 -8.516 4.379 1.00 0.00 C ATOM 1483 CG LYS A 91 11.350 -6.986 4.514 1.00 0.00 C ATOM 1484 CD LYS A 91 12.652 -6.574 5.217 1.00 0.00 C ATOM 1485 CE LYS A 91 12.525 -6.792 6.733 1.00 0.00 C ATOM 1486 NZ LYS A 91 11.819 -5.585 7.262 1.00 0.00 N ATOM 0 H LYS A 91 9.724 -8.443 6.477 1.00 0.00 H new ATOM 0 HA LYS A 91 9.312 -8.779 3.491 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.861 -8.980 5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.760 -8.822 3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 91 11.295 -6.523 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.491 -6.630 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 91 13.486 -7.157 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 91 12.871 -5.527 5.009 1.00 0.00 H new ATOM 0 HE2 LYS A 91 11.963 -7.700 6.951 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.506 -6.905 7.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.292 -5.840 8.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.516 -4.847 7.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.158 -5.227 6.544 1.00 0.00 H new ATOM 1500 N LEU A 92 8.793 -11.183 4.047 1.00 0.00 N ATOM 1501 CA LEU A 92 8.701 -12.679 4.191 1.00 0.00 C ATOM 1502 C LEU A 92 7.621 -13.255 3.261 1.00 0.00 C ATOM 1503 O LEU A 92 7.007 -12.538 2.497 1.00 0.00 O ATOM 1504 CB LEU A 92 8.352 -12.942 5.665 1.00 0.00 C ATOM 1505 CG LEU A 92 6.916 -12.483 5.959 1.00 0.00 C ATOM 1506 CD1 LEU A 92 6.217 -13.510 6.856 1.00 0.00 C ATOM 1507 CD2 LEU A 92 6.946 -11.131 6.671 1.00 0.00 C ATOM 0 H LEU A 92 8.051 -10.755 3.493 1.00 0.00 H new ATOM 0 HA LEU A 92 9.638 -13.162 3.913 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.455 -14.004 5.887 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.051 -12.412 6.312 1.00 0.00 H new ATOM 0 HG LEU A 92 6.371 -12.391 5.019 1.00 0.00 H new ATOM 0 HD11 LEU A 92 5.199 -13.180 7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.190 -14.476 6.351 1.00 0.00 H new ATOM 0 HD13 LEU A 92 6.764 -13.606 7.794 1.00 0.00 H new ATOM 0 HD21 LEU A 92 5.926 -10.807 6.879 1.00 0.00 H new ATOM 0 HD22 LEU A 92 7.495 -11.225 7.608 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.438 -10.395 6.035 1.00 0.00 H new ATOM 1519 N GLU A 93 7.390 -14.544 3.328 1.00 0.00 N ATOM 1520 CA GLU A 93 6.352 -15.180 2.456 1.00 0.00 C ATOM 1521 C GLU A 93 4.984 -15.197 3.159 1.00 0.00 C ATOM 1522 O GLU A 93 3.983 -15.280 2.464 1.00 0.00 O ATOM 1523 CB GLU A 93 6.847 -16.610 2.227 1.00 0.00 C ATOM 1524 CG GLU A 93 8.139 -16.588 1.401 1.00 0.00 C ATOM 1525 CD GLU A 93 8.193 -17.822 0.499 1.00 0.00 C ATOM 1526 OE1 GLU A 93 7.282 -17.992 -0.297 1.00 0.00 O ATOM 1527 OE2 GLU A 93 9.146 -18.575 0.614 1.00 0.00 O ATOM 1528 OXT GLU A 93 4.955 -15.137 4.377 1.00 0.00 O ATOM 0 H GLU A 93 7.878 -15.186 3.952 1.00 0.00 H new ATOM 0 HA GLU A 93 6.218 -14.634 1.522 1.00 0.00 H new ATOM 0 HB2 GLU A 93 7.025 -17.100 3.184 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.083 -17.190 1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.181 -15.682 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 93 9.005 -16.571 2.063 1.00 0.00 H new TER 1535 GLU A 93