USER MOD reduce.3.24.130724 H: found=0, std=0, add=707, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 606 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 1 THR OG1 : rot -150:sc= -1.33 USER MOD Set 1.2: A 84 THR OG1 : rot -60:sc= 0.00421 USER MOD Single : A 1 THR N :NH3+ 170:sc= 0.167 (180deg=0.0509) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= 0 X(o=0,f=-0.0066) USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.14 F(o=-0.68,f=-0.14) USER MOD Single : A 10 HIS : no HD1:sc= -0.0963 X(o=-0.096,f=-0.01) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.153 K(o=-0.15,f=-2.2!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN :FLIP amide:sc= -0.409 F(o=-1.9,f=-0.41) USER MOD Single : A 29 TYR OH : rot 50:sc= 1.3 USER MOD Single : A 32 SER OG : rot 44:sc= 1.22 USER MOD Single : A 34 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -1.76 K(o=-1.8,f=-3.5!) USER MOD Single : A 55 ASN : amide:sc= -3.93! C(o=-3.9!,f=-6.3!) USER MOD Single : A 58 ASN : amide:sc= -1.94! C(o=-1.9!,f=-2.1!) USER MOD Single : A 61 ASN : amide:sc= -0.22 K(o=-0.22,f=-0.85) USER MOD Single : A 62 MET CE :methyl -158:sc= -11.4! (180deg=-14!) USER MOD Single : A 63 SER OG : rot -66:sc= 0.838 USER MOD Single : A 64 ASN : amide:sc= -0.28 K(o=-0.28,f=-2.6!) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 65:sc= 1.03 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 1 7.790 -5.396 0.164 1.00 0.00 N ATOM 2 CA THR A 1 7.304 -4.619 -0.963 1.00 0.00 C ATOM 3 C THR A 1 6.992 -5.535 -2.148 1.00 0.00 C ATOM 4 O THR A 1 7.486 -6.660 -2.215 1.00 0.00 O ATOM 5 CB THR A 1 8.346 -3.546 -1.284 1.00 0.00 C ATOM 6 OG1 THR A 1 7.855 -2.927 -2.470 1.00 0.00 O ATOM 7 CG2 THR A 1 9.691 -4.143 -1.705 1.00 0.00 C ATOM 0 H1 THR A 1 8.156 -4.754 0.896 1.00 0.00 H new ATOM 0 H2 THR A 1 7.011 -5.962 0.557 1.00 0.00 H new ATOM 0 H3 THR A 1 8.552 -6.029 -0.153 1.00 0.00 H new ATOM 0 HA THR A 1 6.366 -4.119 -0.722 1.00 0.00 H new ATOM 0 HB THR A 1 8.489 -2.908 -0.412 1.00 0.00 H new ATOM 0 HG1 THR A 1 8.608 -2.597 -3.003 1.00 0.00 H new ATOM 0 HG21 THR A 1 10.394 -3.339 -1.921 1.00 0.00 H new ATOM 0 HG22 THR A 1 10.084 -4.761 -0.897 1.00 0.00 H new ATOM 0 HG23 THR A 1 9.554 -4.755 -2.596 1.00 0.00 H new ATOM 15 N VAL A 2 6.174 -5.021 -3.054 1.00 0.00 N ATOM 16 CA VAL A 2 5.790 -5.780 -4.232 1.00 0.00 C ATOM 17 C VAL A 2 5.648 -4.829 -5.422 1.00 0.00 C ATOM 18 O VAL A 2 5.037 -3.768 -5.305 1.00 0.00 O ATOM 19 CB VAL A 2 4.514 -6.576 -3.949 1.00 0.00 C ATOM 20 CG1 VAL A 2 3.981 -7.229 -5.226 1.00 0.00 C ATOM 21 CG2 VAL A 2 4.751 -7.620 -2.857 1.00 0.00 C ATOM 0 H VAL A 2 5.766 -4.088 -2.996 1.00 0.00 H new ATOM 0 HA VAL A 2 6.562 -6.507 -4.486 1.00 0.00 H new ATOM 0 HB VAL A 2 3.757 -5.880 -3.588 1.00 0.00 H new ATOM 0 HG11 VAL A 2 3.074 -7.789 -4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 2 3.756 -6.458 -5.962 1.00 0.00 H new ATOM 0 HG13 VAL A 2 4.733 -7.907 -5.629 1.00 0.00 H new ATOM 0 HG21 VAL A 2 3.829 -8.172 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.530 -8.311 -3.178 1.00 0.00 H new ATOM 0 HG23 VAL A 2 5.063 -7.122 -1.939 1.00 0.00 H new ATOM 31 N THR A 3 6.225 -5.242 -6.541 1.00 0.00 N ATOM 32 CA THR A 3 6.172 -4.439 -7.752 1.00 0.00 C ATOM 33 C THR A 3 5.284 -5.114 -8.799 1.00 0.00 C ATOM 34 O THR A 3 5.730 -6.012 -9.511 1.00 0.00 O ATOM 35 CB THR A 3 7.606 -4.209 -8.230 1.00 0.00 C ATOM 36 OG1 THR A 3 8.166 -3.345 -7.243 1.00 0.00 O ATOM 37 CG2 THR A 3 7.670 -3.390 -9.520 1.00 0.00 C ATOM 0 H THR A 3 6.732 -6.122 -6.635 1.00 0.00 H new ATOM 0 HA THR A 3 5.718 -3.466 -7.563 1.00 0.00 H new ATOM 0 HB THR A 3 8.095 -5.171 -8.386 1.00 0.00 H new ATOM 0 HG1 THR A 3 9.097 -3.145 -7.474 1.00 0.00 H new ATOM 0 HG21 THR A 3 8.711 -3.256 -9.815 1.00 0.00 H new ATOM 0 HG22 THR A 3 7.133 -3.914 -10.311 1.00 0.00 H new ATOM 0 HG23 THR A 3 7.211 -2.415 -9.355 1.00 0.00 H new ATOM 45 N LEU A 4 4.042 -4.654 -8.860 1.00 0.00 N ATOM 46 CA LEU A 4 3.088 -5.201 -9.809 1.00 0.00 C ATOM 47 C LEU A 4 3.064 -4.327 -11.065 1.00 0.00 C ATOM 48 O LEU A 4 2.150 -3.526 -11.251 1.00 0.00 O ATOM 49 CB LEU A 4 1.716 -5.370 -9.153 1.00 0.00 C ATOM 50 CG LEU A 4 1.378 -4.374 -8.042 1.00 0.00 C ATOM 51 CD1 LEU A 4 -0.131 -4.132 -7.963 1.00 0.00 C ATOM 52 CD2 LEU A 4 1.956 -4.830 -6.700 1.00 0.00 C ATOM 0 H LEU A 4 3.675 -3.909 -8.268 1.00 0.00 H new ATOM 0 HA LEU A 4 3.393 -6.200 -10.121 1.00 0.00 H new ATOM 0 HB2 LEU A 4 0.953 -5.293 -9.927 1.00 0.00 H new ATOM 0 HB3 LEU A 4 1.653 -6.378 -8.742 1.00 0.00 H new ATOM 0 HG LEU A 4 1.845 -3.420 -8.286 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -0.344 -3.420 -7.165 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -0.485 -3.730 -8.912 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -0.640 -5.073 -7.755 1.00 0.00 H new ATOM 0 HD21 LEU A 4 1.701 -4.104 -5.928 1.00 0.00 H new ATOM 0 HD22 LEU A 4 1.539 -5.802 -6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 4 3.040 -4.910 -6.779 1.00 0.00 H new ATOM 63 N ASN A 5 4.082 -4.511 -11.894 1.00 0.00 N ATOM 64 CA ASN A 5 4.190 -3.750 -13.127 1.00 0.00 C ATOM 65 C ASN A 5 4.109 -2.256 -12.807 1.00 0.00 C ATOM 66 O ASN A 5 3.815 -1.875 -11.675 1.00 0.00 O ATOM 67 CB ASN A 5 3.047 -4.089 -14.086 1.00 0.00 C ATOM 68 CG ASN A 5 3.588 -4.507 -15.455 1.00 0.00 C ATOM 69 OD1 ASN A 5 3.796 -3.696 -16.343 1.00 0.00 O ATOM 70 ND2 ASN A 5 3.801 -5.814 -15.576 1.00 0.00 N ATOM 0 H ASN A 5 4.839 -5.176 -11.736 1.00 0.00 H new ATOM 0 HA ASN A 5 5.141 -4.001 -13.596 1.00 0.00 H new ATOM 0 HB2 ASN A 5 2.443 -4.894 -13.668 1.00 0.00 H new ATOM 0 HB3 ASN A 5 2.392 -3.225 -14.198 1.00 0.00 H new ATOM 0 HD21 ASN A 5 4.160 -6.193 -16.452 1.00 0.00 H new ATOM 0 HD22 ASN A 5 3.606 -6.437 -14.793 1.00 0.00 H new ATOM 76 N MET A 6 4.375 -1.450 -13.824 1.00 0.00 N ATOM 77 CA MET A 6 4.337 -0.005 -13.665 1.00 0.00 C ATOM 78 C MET A 6 3.501 0.645 -14.769 1.00 0.00 C ATOM 79 O MET A 6 4.038 1.075 -15.787 1.00 0.00 O ATOM 80 CB MET A 6 5.762 0.551 -13.708 1.00 0.00 C ATOM 81 CG MET A 6 5.765 2.065 -13.489 1.00 0.00 C ATOM 82 SD MET A 6 7.046 2.821 -14.476 1.00 0.00 S ATOM 83 CE MET A 6 6.212 4.320 -14.971 1.00 0.00 C ATOM 0 H MET A 6 4.618 -1.769 -14.762 1.00 0.00 H new ATOM 0 HA MET A 6 3.877 0.225 -12.704 1.00 0.00 H new ATOM 0 HB2 MET A 6 6.368 0.068 -12.942 1.00 0.00 H new ATOM 0 HB3 MET A 6 6.219 0.318 -14.670 1.00 0.00 H new ATOM 0 HG2 MET A 6 4.794 2.482 -13.757 1.00 0.00 H new ATOM 0 HG3 MET A 6 5.927 2.288 -12.434 1.00 0.00 H new ATOM 0 HE1 MET A 6 6.875 4.915 -15.599 1.00 0.00 H new ATOM 0 HE2 MET A 6 5.312 4.067 -15.532 1.00 0.00 H new ATOM 0 HE3 MET A 6 5.939 4.894 -14.085 1.00 0.00 H new ATOM 91 N GLU A 7 2.198 0.697 -14.527 1.00 0.00 N ATOM 92 CA GLU A 7 1.283 1.288 -15.488 1.00 0.00 C ATOM 93 C GLU A 7 0.098 1.933 -14.765 1.00 0.00 C ATOM 94 O GLU A 7 -0.484 1.333 -13.863 1.00 0.00 O ATOM 95 CB GLU A 7 0.804 0.247 -16.502 1.00 0.00 C ATOM 96 CG GLU A 7 1.657 0.289 -17.773 1.00 0.00 C ATOM 97 CD GLU A 7 1.047 -0.585 -18.870 1.00 0.00 C ATOM 98 OE1 GLU A 7 -0.184 -0.702 -18.958 1.00 0.00 O ATOM 99 OE2 GLU A 7 1.901 -1.155 -19.651 1.00 0.00 O ATOM 0 H GLU A 7 1.756 0.340 -13.680 1.00 0.00 H new ATOM 0 HA GLU A 7 1.816 2.064 -16.037 1.00 0.00 H new ATOM 0 HB2 GLU A 7 0.853 -0.748 -16.059 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -0.240 0.432 -16.754 1.00 0.00 H new ATOM 0 HG2 GLU A 7 1.740 1.317 -18.126 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.667 -0.054 -17.549 1.00 0.00 H new ATOM 105 N ARG A 8 -0.223 3.146 -15.188 1.00 0.00 N ATOM 106 CA ARG A 8 -1.327 3.879 -14.592 1.00 0.00 C ATOM 107 C ARG A 8 -2.628 3.087 -14.733 1.00 0.00 C ATOM 108 O ARG A 8 -3.011 2.708 -15.840 1.00 0.00 O ATOM 109 CB ARG A 8 -1.498 5.250 -15.250 1.00 0.00 C ATOM 110 CG ARG A 8 -1.433 6.370 -14.210 1.00 0.00 C ATOM 111 CD ARG A 8 0.006 6.851 -14.012 1.00 0.00 C ATOM 112 NE ARG A 8 0.891 5.699 -13.727 1.00 0.00 N ATOM 113 CZ ARG A 8 1.625 5.059 -14.662 1.00 0.00 C ATOM 114 NH1 ARG A 8 1.587 5.455 -15.952 1.00 0.00 N ATOM 115 NH2 ARG A 8 2.381 4.041 -14.295 1.00 0.00 N ATOM 0 H ARG A 8 0.262 3.640 -15.937 1.00 0.00 H new ATOM 0 HA ARG A 8 -1.098 4.022 -13.536 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -0.719 5.398 -15.998 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.454 5.290 -15.773 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.058 7.204 -14.529 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -1.835 6.014 -13.261 1.00 0.00 H new ATOM 0 HD2 ARG A 8 0.350 7.372 -14.905 1.00 0.00 H new ATOM 0 HD3 ARG A 8 0.049 7.565 -13.190 1.00 0.00 H new ATOM 0 HE ARG A 8 0.950 5.368 -12.764 1.00 0.00 H new ATOM 0 HH11 ARG A 8 1.001 6.243 -16.226 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.145 4.966 -16.652 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.404 3.749 -13.318 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.942 3.546 -14.989 1.00 0.00 H new ATOM 125 N HIS A 9 -3.271 2.858 -13.599 1.00 0.00 N ATOM 126 CA HIS A 9 -4.522 2.117 -13.582 1.00 0.00 C ATOM 127 C HIS A 9 -5.624 2.985 -12.975 1.00 0.00 C ATOM 128 O HIS A 9 -5.362 4.093 -12.508 1.00 0.00 O ATOM 129 CB HIS A 9 -4.351 0.780 -12.857 1.00 0.00 C ATOM 130 CG HIS A 9 -3.426 -0.185 -13.558 1.00 0.00 C ATOM 131 ND1 HIS A 9 -2.266 -0.770 -13.142 1.00 0.00 N flip ATOM 132 CD2 HIS A 9 -3.658 -0.647 -14.842 1.00 0.00 C flip ATOM 133 CE1 HIS A 9 -1.814 -1.548 -14.118 1.00 0.00 C flip ATOM 134 NE2 HIS A 9 -2.676 -1.473 -15.173 1.00 0.00 N flip ATOM 0 H HIS A 9 -2.950 3.172 -12.683 1.00 0.00 H new ATOM 0 HA HIS A 9 -4.820 1.875 -14.602 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -3.970 0.969 -11.854 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -5.329 0.312 -12.744 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -4.497 -0.380 -15.468 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -0.913 -2.142 -14.083 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -2.581 -1.966 -16.061 1.00 0.00 H new ATOM 141 N HIS A 10 -6.836 2.450 -12.999 1.00 0.00 N ATOM 142 CA HIS A 10 -7.981 3.161 -12.457 1.00 0.00 C ATOM 143 C HIS A 10 -8.593 2.352 -11.312 1.00 0.00 C ATOM 144 O HIS A 10 -8.600 2.798 -10.166 1.00 0.00 O ATOM 145 CB HIS A 10 -8.990 3.487 -13.559 1.00 0.00 C ATOM 146 CG HIS A 10 -9.798 4.738 -13.304 1.00 0.00 C ATOM 147 ND1 HIS A 10 -11.181 4.754 -13.321 1.00 0.00 N ATOM 148 CD2 HIS A 10 -9.401 6.012 -13.022 1.00 0.00 C ATOM 149 CE1 HIS A 10 -11.588 5.988 -13.063 1.00 0.00 C ATOM 150 NE2 HIS A 10 -10.484 6.766 -12.878 1.00 0.00 N ATOM 0 H HIS A 10 -7.050 1.531 -13.386 1.00 0.00 H new ATOM 0 HA HIS A 10 -7.658 4.118 -12.047 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -8.457 3.597 -14.504 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -9.672 2.644 -13.674 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.379 6.350 -12.931 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.614 6.320 -13.009 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -10.489 7.763 -12.664 1.00 0.00 H new ATOM 157 N PHE A 11 -9.092 1.176 -11.662 1.00 0.00 N ATOM 158 CA PHE A 11 -9.705 0.299 -10.679 1.00 0.00 C ATOM 159 C PHE A 11 -8.668 -0.212 -9.678 1.00 0.00 C ATOM 160 O PHE A 11 -7.507 -0.419 -10.032 1.00 0.00 O ATOM 161 CB PHE A 11 -10.290 -0.890 -11.442 1.00 0.00 C ATOM 162 CG PHE A 11 -11.795 -0.788 -11.693 1.00 0.00 C ATOM 163 CD1 PHE A 11 -12.266 -0.003 -12.700 1.00 0.00 C ATOM 164 CD2 PHE A 11 -12.665 -1.482 -10.911 1.00 0.00 C ATOM 165 CE1 PHE A 11 -13.664 0.091 -12.933 1.00 0.00 C ATOM 166 CE2 PHE A 11 -14.062 -1.388 -11.144 1.00 0.00 C ATOM 167 CZ PHE A 11 -14.532 -0.603 -12.151 1.00 0.00 C ATOM 0 H PHE A 11 -9.084 0.810 -12.614 1.00 0.00 H new ATOM 0 HA PHE A 11 -10.470 0.841 -10.123 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -9.778 -0.982 -12.400 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -10.086 -1.803 -10.883 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -11.577 0.549 -13.322 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -12.292 -2.105 -10.112 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -14.037 0.714 -13.732 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -14.752 -1.939 -10.522 1.00 0.00 H new ATOM 0 HZ PHE A 11 -15.595 -0.531 -12.329 1.00 0.00 H new ATOM 176 N LEU A 12 -9.121 -0.403 -8.448 1.00 0.00 N ATOM 177 CA LEU A 12 -8.247 -0.886 -7.394 1.00 0.00 C ATOM 178 C LEU A 12 -9.053 -1.054 -6.105 1.00 0.00 C ATOM 179 O LEU A 12 -9.222 -2.169 -5.614 1.00 0.00 O ATOM 180 CB LEU A 12 -7.030 0.030 -7.244 1.00 0.00 C ATOM 181 CG LEU A 12 -5.663 -0.641 -7.391 1.00 0.00 C ATOM 182 CD1 LEU A 12 -4.791 0.107 -8.401 1.00 0.00 C ATOM 183 CD2 LEU A 12 -4.973 -0.783 -6.032 1.00 0.00 C ATOM 0 H LEU A 12 -10.084 -0.232 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.848 -1.867 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.104 0.824 -7.987 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.076 0.505 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 12 -5.816 -1.647 -7.781 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.825 -0.391 -8.487 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -5.284 0.113 -9.373 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.642 1.133 -8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.003 -1.263 -6.165 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.832 0.204 -5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.591 -1.391 -5.372 1.00 0.00 H new ATOM 194 N GLY A 13 -9.531 0.071 -5.592 1.00 0.00 N ATOM 195 CA GLY A 13 -10.315 0.064 -4.369 1.00 0.00 C ATOM 196 C GLY A 13 -9.458 -0.352 -3.171 1.00 0.00 C ATOM 197 O GLY A 13 -9.559 -1.481 -2.694 1.00 0.00 O ATOM 0 H GLY A 13 -9.390 0.994 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.733 1.056 -4.195 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -11.155 -0.622 -4.475 1.00 0.00 H new ATOM 201 N ILE A 14 -8.637 0.583 -2.720 1.00 0.00 N ATOM 202 CA ILE A 14 -7.764 0.330 -1.586 1.00 0.00 C ATOM 203 C ILE A 14 -8.027 1.374 -0.501 1.00 0.00 C ATOM 204 O ILE A 14 -8.748 2.345 -0.729 1.00 0.00 O ATOM 205 CB ILE A 14 -6.303 0.267 -2.038 1.00 0.00 C ATOM 206 CG1 ILE A 14 -6.023 1.302 -3.130 1.00 0.00 C ATOM 207 CG2 ILE A 14 -5.926 -1.149 -2.479 1.00 0.00 C ATOM 208 CD1 ILE A 14 -5.951 2.713 -2.542 1.00 0.00 C ATOM 0 H ILE A 14 -8.557 1.518 -3.119 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.981 -0.645 -1.149 1.00 0.00 H new ATOM 0 HB ILE A 14 -5.670 0.518 -1.187 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -5.084 1.064 -3.630 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -6.806 1.259 -3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.883 -1.166 -2.795 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.064 -1.838 -1.646 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.562 -1.453 -3.310 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.751 3.429 -3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -6.900 2.957 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.151 2.759 -1.803 1.00 0.00 H new ATOM 219 N SER A 15 -7.429 1.141 0.658 1.00 0.00 N ATOM 220 CA SER A 15 -7.590 2.050 1.780 1.00 0.00 C ATOM 221 C SER A 15 -6.457 1.844 2.787 1.00 0.00 C ATOM 222 O SER A 15 -5.870 0.765 2.854 1.00 0.00 O ATOM 223 CB SER A 15 -8.946 1.852 2.459 1.00 0.00 C ATOM 224 OG SER A 15 -8.921 0.782 3.400 1.00 0.00 O ATOM 0 H SER A 15 -6.832 0.335 0.844 1.00 0.00 H new ATOM 0 HA SER A 15 -7.550 3.071 1.401 1.00 0.00 H new ATOM 0 HB2 SER A 15 -9.236 2.773 2.965 1.00 0.00 H new ATOM 0 HB3 SER A 15 -9.704 1.652 1.702 1.00 0.00 H new ATOM 0 HG SER A 15 -9.805 0.689 3.813 1.00 0.00 H new ATOM 229 N ILE A 16 -6.184 2.895 3.546 1.00 0.00 N ATOM 230 CA ILE A 16 -5.132 2.844 4.547 1.00 0.00 C ATOM 231 C ILE A 16 -5.751 2.979 5.939 1.00 0.00 C ATOM 232 O ILE A 16 -6.946 3.238 6.068 1.00 0.00 O ATOM 233 CB ILE A 16 -4.056 3.890 4.248 1.00 0.00 C ATOM 234 CG1 ILE A 16 -4.642 5.303 4.278 1.00 0.00 C ATOM 235 CG2 ILE A 16 -3.352 3.589 2.923 1.00 0.00 C ATOM 236 CD1 ILE A 16 -4.039 6.122 5.420 1.00 0.00 C ATOM 0 H ILE A 16 -6.674 3.788 3.488 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.624 1.880 4.516 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.301 3.838 5.033 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -4.449 5.801 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.724 5.249 4.396 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -2.592 4.347 2.734 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.880 2.608 2.976 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -4.082 3.597 2.113 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.472 7.122 5.419 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -4.254 5.634 6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.960 6.194 5.286 1.00 0.00 H new ATOM 247 N VAL A 17 -4.909 2.798 6.946 1.00 0.00 N ATOM 248 CA VAL A 17 -5.358 2.896 8.324 1.00 0.00 C ATOM 249 C VAL A 17 -4.144 3.047 9.243 1.00 0.00 C ATOM 250 O VAL A 17 -3.005 2.939 8.794 1.00 0.00 O ATOM 251 CB VAL A 17 -6.231 1.690 8.678 1.00 0.00 C ATOM 252 CG1 VAL A 17 -5.415 0.396 8.643 1.00 0.00 C ATOM 253 CG2 VAL A 17 -6.901 1.879 10.041 1.00 0.00 C ATOM 0 H VAL A 17 -3.918 2.584 6.835 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.980 3.781 8.460 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.017 1.612 7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.058 -0.447 8.898 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.006 0.251 7.643 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.599 0.461 9.363 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.515 1.008 10.268 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.137 1.994 10.809 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -7.529 2.770 10.017 1.00 0.00 H new ATOM 263 N GLY A 18 -4.430 3.293 10.513 1.00 0.00 N ATOM 264 CA GLY A 18 -3.376 3.458 11.499 1.00 0.00 C ATOM 265 C GLY A 18 -3.690 2.673 12.775 1.00 0.00 C ATOM 266 O GLY A 18 -4.547 1.792 12.771 1.00 0.00 O ATOM 0 H GLY A 18 -5.377 3.382 10.882 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -2.428 3.118 11.083 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -3.259 4.515 11.738 1.00 0.00 H new ATOM 270 N GLN A 19 -2.977 3.023 13.836 1.00 0.00 N ATOM 271 CA GLN A 19 -3.169 2.362 15.116 1.00 0.00 C ATOM 272 C GLN A 19 -2.683 3.261 16.255 1.00 0.00 C ATOM 273 O GLN A 19 -3.473 3.682 17.098 1.00 0.00 O ATOM 274 CB GLN A 19 -2.459 1.008 15.145 1.00 0.00 C ATOM 275 CG GLN A 19 -3.364 -0.074 15.737 1.00 0.00 C ATOM 276 CD GLN A 19 -2.538 -1.196 16.370 1.00 0.00 C ATOM 277 OE1 GLN A 19 -1.372 -1.038 16.690 1.00 0.00 O ATOM 278 NE2 GLN A 19 -3.206 -2.335 16.530 1.00 0.00 N ATOM 0 H GLN A 19 -2.266 3.755 13.836 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.235 2.179 15.253 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -2.164 0.727 14.134 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -1.545 1.085 15.734 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -4.020 0.367 16.487 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -4.004 -0.485 14.956 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -4.182 -2.399 16.240 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.742 -3.144 16.943 1.00 0.00 H new ATOM 285 N SER A 20 -1.385 3.528 16.243 1.00 0.00 N ATOM 286 CA SER A 20 -0.784 4.369 17.264 1.00 0.00 C ATOM 287 C SER A 20 -1.001 3.748 18.646 1.00 0.00 C ATOM 288 O SER A 20 -1.717 2.757 18.781 1.00 0.00 O ATOM 289 CB SER A 20 -1.362 5.785 17.223 1.00 0.00 C ATOM 290 OG SER A 20 -1.022 6.465 16.017 1.00 0.00 O ATOM 0 H SER A 20 -0.733 3.176 15.542 1.00 0.00 H new ATOM 0 HA SER A 20 0.286 4.437 17.065 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.447 5.737 17.319 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.991 6.353 18.076 1.00 0.00 H new ATOM 0 HG SER A 20 -1.411 7.365 16.028 1.00 0.00 H new ATOM 295 N ASN A 21 -0.368 4.357 19.639 1.00 0.00 N ATOM 296 CA ASN A 21 -0.482 3.878 21.005 1.00 0.00 C ATOM 297 C ASN A 21 -1.010 5.004 21.894 1.00 0.00 C ATOM 298 O ASN A 21 -2.009 4.834 22.592 1.00 0.00 O ATOM 299 CB ASN A 21 0.880 3.442 21.551 1.00 0.00 C ATOM 300 CG ASN A 21 0.825 3.248 23.069 1.00 0.00 C ATOM 301 OD1 ASN A 21 1.234 4.305 23.764 1.00 0.00 O flip ATOM 302 ND2 ASN A 21 0.437 2.207 23.573 1.00 0.00 N flip ATOM 0 H ASN A 21 0.226 5.178 19.524 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.161 3.026 21.008 1.00 0.00 H new ATOM 0 HB2 ASN A 21 1.187 2.512 21.073 1.00 0.00 H new ATOM 0 HB3 ASN A 21 1.632 4.191 21.303 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.137 1.434 22.979 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.413 2.110 24.588 1.00 0.00 H new ATOM 308 N ASP A 22 -0.315 6.131 21.842 1.00 0.00 N ATOM 309 CA ASP A 22 -0.702 7.286 22.635 1.00 0.00 C ATOM 310 C ASP A 22 -0.468 8.560 21.818 1.00 0.00 C ATOM 311 O ASP A 22 -1.374 9.379 21.668 1.00 0.00 O ATOM 312 CB ASP A 22 0.135 7.383 23.912 1.00 0.00 C ATOM 313 CG ASP A 22 -0.300 6.448 25.042 1.00 0.00 C ATOM 314 OD1 ASP A 22 -0.989 5.443 24.810 1.00 0.00 O ATOM 315 OD2 ASP A 22 0.101 6.792 26.218 1.00 0.00 O ATOM 0 H ASP A 22 0.514 6.269 21.263 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.753 7.176 22.901 1.00 0.00 H new ATOM 0 HB2 ASP A 22 1.175 7.170 23.664 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.098 8.410 24.276 1.00 0.00 H new ATOM 320 N ARG A 23 0.750 8.687 21.315 1.00 0.00 N ATOM 321 CA ARG A 23 1.114 9.847 20.519 1.00 0.00 C ATOM 322 C ARG A 23 1.763 9.407 19.206 1.00 0.00 C ATOM 323 O ARG A 23 2.845 8.823 19.209 1.00 0.00 O ATOM 324 CB ARG A 23 2.082 10.755 21.279 1.00 0.00 C ATOM 325 CG ARG A 23 1.719 12.229 21.085 1.00 0.00 C ATOM 326 CD ARG A 23 2.507 12.837 19.921 1.00 0.00 C ATOM 327 NE ARG A 23 1.672 13.832 19.211 1.00 0.00 N ATOM 328 CZ ARG A 23 2.168 14.870 18.504 1.00 0.00 C ATOM 329 NH1 ARG A 23 3.500 15.058 18.407 1.00 0.00 N ATOM 330 NH2 ARG A 23 1.329 15.698 17.910 1.00 0.00 N ATOM 0 H ARG A 23 1.498 8.006 21.443 1.00 0.00 H new ATOM 0 HA ARG A 23 0.201 10.404 20.308 1.00 0.00 H new ATOM 0 HB2 ARG A 23 2.060 10.508 22.340 1.00 0.00 H new ATOM 0 HB3 ARG A 23 3.100 10.579 20.932 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.650 12.322 20.894 1.00 0.00 H new ATOM 0 HG3 ARG A 23 1.929 12.783 22.000 1.00 0.00 H new ATOM 0 HD2 ARG A 23 3.415 13.311 20.294 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.817 12.052 19.232 1.00 0.00 H new ATOM 0 HE ARG A 23 0.659 13.727 19.259 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.141 14.413 18.870 1.00 0.00 H new ATOM 0 HH12 ARG A 23 3.866 15.845 17.871 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.323 15.549 17.989 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.687 16.487 17.372 1.00 0.00 H new ATOM 340 N GLY A 24 1.074 9.704 18.113 1.00 0.00 N ATOM 341 CA GLY A 24 1.570 9.347 16.796 1.00 0.00 C ATOM 342 C GLY A 24 2.292 7.998 16.828 1.00 0.00 C ATOM 343 O GLY A 24 1.979 7.142 17.656 1.00 0.00 O ATOM 0 H GLY A 24 0.176 10.188 18.114 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.740 9.302 16.091 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.251 10.119 16.438 1.00 0.00 H new ATOM 347 N ASP A 25 3.242 7.848 15.917 1.00 0.00 N ATOM 348 CA ASP A 25 4.009 6.617 15.832 1.00 0.00 C ATOM 349 C ASP A 25 3.062 5.449 15.551 1.00 0.00 C ATOM 350 O ASP A 25 2.332 5.010 16.437 1.00 0.00 O ATOM 351 CB ASP A 25 4.737 6.330 17.146 1.00 0.00 C ATOM 352 CG ASP A 25 6.148 6.914 17.246 1.00 0.00 C ATOM 353 OD1 ASP A 25 6.327 8.136 17.353 1.00 0.00 O ATOM 354 OD2 ASP A 25 7.102 6.046 17.210 1.00 0.00 O ATOM 0 H ASP A 25 3.498 8.558 15.231 1.00 0.00 H new ATOM 0 HA ASP A 25 4.740 6.730 15.032 1.00 0.00 H new ATOM 0 HB2 ASP A 25 4.139 6.722 17.968 1.00 0.00 H new ATOM 0 HB3 ASP A 25 4.797 5.250 17.282 1.00 0.00 H new ATOM 359 N GLY A 26 3.106 4.979 14.312 1.00 0.00 N ATOM 360 CA GLY A 26 2.261 3.870 13.903 1.00 0.00 C ATOM 361 C GLY A 26 2.236 3.733 12.379 1.00 0.00 C ATOM 362 O GLY A 26 1.336 4.255 11.720 1.00 0.00 O ATOM 0 H GLY A 26 3.713 5.346 13.579 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.627 2.945 14.349 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.248 4.024 14.275 1.00 0.00 H new ATOM 366 N GLY A 27 3.233 3.030 11.863 1.00 0.00 N ATOM 367 CA GLY A 27 3.336 2.819 10.429 1.00 0.00 C ATOM 368 C GLY A 27 1.973 2.474 9.826 1.00 0.00 C ATOM 369 O GLY A 27 1.487 1.355 9.980 1.00 0.00 O ATOM 0 H GLY A 27 3.977 2.599 12.412 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.731 3.717 9.953 1.00 0.00 H new ATOM 0 HA3 GLY A 27 4.042 2.013 10.226 1.00 0.00 H new ATOM 373 N ILE A 28 1.394 3.458 9.153 1.00 0.00 N ATOM 374 CA ILE A 28 0.096 3.273 8.527 1.00 0.00 C ATOM 375 C ILE A 28 0.138 2.033 7.631 1.00 0.00 C ATOM 376 O ILE A 28 1.124 1.802 6.932 1.00 0.00 O ATOM 377 CB ILE A 28 -0.332 4.547 7.794 1.00 0.00 C ATOM 378 CG1 ILE A 28 -0.355 5.745 8.745 1.00 0.00 C ATOM 379 CG2 ILE A 28 -1.676 4.349 7.090 1.00 0.00 C ATOM 380 CD1 ILE A 28 -1.309 5.499 9.916 1.00 0.00 C ATOM 0 H ILE A 28 1.800 4.385 9.028 1.00 0.00 H new ATOM 0 HA ILE A 28 -0.669 3.095 9.283 1.00 0.00 H new ATOM 0 HB ILE A 28 0.407 4.762 7.023 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.650 5.932 9.123 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.663 6.639 8.202 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.957 5.269 6.577 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.591 3.540 6.364 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -2.439 4.097 7.827 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.306 6.366 10.576 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -2.317 5.336 9.536 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.984 4.619 10.471 1.00 0.00 H new ATOM 391 N TYR A 29 -0.942 1.268 7.682 1.00 0.00 N ATOM 392 CA TYR A 29 -1.040 0.058 6.883 1.00 0.00 C ATOM 393 C TYR A 29 -2.371 0.005 6.131 1.00 0.00 C ATOM 394 O TYR A 29 -3.375 0.542 6.597 1.00 0.00 O ATOM 395 CB TYR A 29 -0.980 -1.105 7.874 1.00 0.00 C ATOM 396 CG TYR A 29 -2.006 -1.014 9.005 1.00 0.00 C ATOM 397 CD1 TYR A 29 -1.760 -0.206 10.096 1.00 0.00 C ATOM 398 CD2 TYR A 29 -3.179 -1.739 8.933 1.00 0.00 C ATOM 399 CE1 TYR A 29 -2.726 -0.121 11.160 1.00 0.00 C ATOM 400 CE2 TYR A 29 -4.144 -1.653 9.998 1.00 0.00 C ATOM 401 CZ TYR A 29 -3.871 -0.848 11.058 1.00 0.00 C ATOM 402 OH TYR A 29 -4.783 -0.767 12.064 1.00 0.00 O ATOM 0 H TYR A 29 -1.757 1.462 8.264 1.00 0.00 H new ATOM 0 HA TYR A 29 -0.240 0.019 6.143 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -1.134 -2.038 7.332 1.00 0.00 H new ATOM 0 HB3 TYR A 29 0.019 -1.149 8.307 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -0.843 0.362 10.152 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -3.372 -2.370 8.078 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -2.545 0.506 12.020 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.065 -2.216 9.955 1.00 0.00 H new ATOM 0 HH TYR A 29 -4.960 0.175 12.270 1.00 0.00 H new ATOM 411 N ILE A 30 -2.337 -0.650 4.979 1.00 0.00 N ATOM 412 CA ILE A 30 -3.529 -0.781 4.157 1.00 0.00 C ATOM 413 C ILE A 30 -4.687 -1.282 5.022 1.00 0.00 C ATOM 414 O ILE A 30 -4.561 -2.295 5.709 1.00 0.00 O ATOM 415 CB ILE A 30 -3.245 -1.662 2.939 1.00 0.00 C ATOM 416 CG1 ILE A 30 -4.184 -1.317 1.782 1.00 0.00 C ATOM 417 CG2 ILE A 30 -3.311 -3.145 3.309 1.00 0.00 C ATOM 418 CD1 ILE A 30 -3.775 0.000 1.118 1.00 0.00 C ATOM 0 H ILE A 30 -1.503 -1.095 4.596 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.825 0.189 3.758 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.229 -1.460 2.600 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -4.169 -2.120 1.045 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.207 -1.241 2.150 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -3.105 -3.750 2.426 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -2.569 -3.362 4.078 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -4.305 -3.382 3.687 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.459 0.222 0.299 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -3.814 0.805 1.852 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -2.760 -0.088 0.730 1.00 0.00 H new ATOM 429 N GLY A 31 -5.789 -0.549 4.962 1.00 0.00 N ATOM 430 CA GLY A 31 -6.969 -0.906 5.732 1.00 0.00 C ATOM 431 C GLY A 31 -7.482 -2.293 5.337 1.00 0.00 C ATOM 432 O GLY A 31 -7.788 -3.113 6.199 1.00 0.00 O ATOM 0 H GLY A 31 -5.890 0.291 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -6.732 -0.891 6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -7.752 -0.165 5.570 1.00 0.00 H new ATOM 436 N SER A 32 -7.558 -2.511 4.032 1.00 0.00 N ATOM 437 CA SER A 32 -8.028 -3.784 3.512 1.00 0.00 C ATOM 438 C SER A 32 -7.988 -3.772 1.983 1.00 0.00 C ATOM 439 O SER A 32 -8.004 -2.708 1.366 1.00 0.00 O ATOM 440 CB SER A 32 -9.444 -4.091 4.004 1.00 0.00 C ATOM 441 OG SER A 32 -9.439 -4.758 5.263 1.00 0.00 O ATOM 0 H SER A 32 -7.302 -1.828 3.319 1.00 0.00 H new ATOM 0 HA SER A 32 -7.367 -4.569 3.880 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.008 -3.162 4.088 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.957 -4.710 3.268 1.00 0.00 H new ATOM 0 HG SER A 32 -8.794 -4.325 5.860 1.00 0.00 H new ATOM 446 N ILE A 33 -7.938 -4.968 1.416 1.00 0.00 N ATOM 447 CA ILE A 33 -7.895 -5.109 -0.030 1.00 0.00 C ATOM 448 C ILE A 33 -9.225 -5.686 -0.522 1.00 0.00 C ATOM 449 O ILE A 33 -9.624 -6.773 -0.107 1.00 0.00 O ATOM 450 CB ILE A 33 -6.676 -5.929 -0.453 1.00 0.00 C ATOM 451 CG1 ILE A 33 -5.384 -5.132 -0.256 1.00 0.00 C ATOM 452 CG2 ILE A 33 -6.824 -6.431 -1.891 1.00 0.00 C ATOM 453 CD1 ILE A 33 -5.073 -4.951 1.231 1.00 0.00 C ATOM 0 H ILE A 33 -7.926 -5.848 1.931 1.00 0.00 H new ATOM 0 HA ILE A 33 -7.774 -4.135 -0.504 1.00 0.00 H new ATOM 0 HB ILE A 33 -6.616 -6.807 0.190 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -4.557 -5.647 -0.744 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -5.478 -4.156 -0.733 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -5.943 -7.011 -2.166 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -7.711 -7.060 -1.967 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -6.923 -5.580 -2.565 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -4.150 -4.382 1.343 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.891 -4.414 1.711 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.956 -5.928 1.700 1.00 0.00 H new ATOM 464 N MET A 34 -9.872 -4.934 -1.398 1.00 0.00 N ATOM 465 CA MET A 34 -11.149 -5.356 -1.950 1.00 0.00 C ATOM 466 C MET A 34 -11.132 -6.848 -2.289 1.00 0.00 C ATOM 467 O MET A 34 -12.147 -7.529 -2.160 1.00 0.00 O ATOM 468 CB MET A 34 -11.451 -4.549 -3.214 1.00 0.00 C ATOM 469 CG MET A 34 -11.942 -3.144 -2.862 1.00 0.00 C ATOM 470 SD MET A 34 -13.698 -3.019 -3.158 1.00 0.00 S ATOM 471 CE MET A 34 -13.986 -1.344 -2.609 1.00 0.00 C ATOM 0 H MET A 34 -9.536 -4.034 -1.740 1.00 0.00 H new ATOM 0 HA MET A 34 -11.923 -5.180 -1.203 1.00 0.00 H new ATOM 0 HB2 MET A 34 -10.554 -4.481 -3.830 1.00 0.00 H new ATOM 0 HB3 MET A 34 -12.206 -5.064 -3.807 1.00 0.00 H new ATOM 0 HG2 MET A 34 -11.725 -2.925 -1.817 1.00 0.00 H new ATOM 0 HG3 MET A 34 -11.410 -2.404 -3.460 1.00 0.00 H new ATOM 0 HE1 MET A 34 -15.042 -1.099 -2.726 1.00 0.00 H new ATOM 0 HE2 MET A 34 -13.706 -1.252 -1.560 1.00 0.00 H new ATOM 0 HE3 MET A 34 -13.386 -0.657 -3.206 1.00 0.00 H new ATOM 479 N LYS A 35 -9.966 -7.312 -2.717 1.00 0.00 N ATOM 480 CA LYS A 35 -9.803 -8.710 -3.075 1.00 0.00 C ATOM 481 C LYS A 35 -10.500 -8.975 -4.411 1.00 0.00 C ATOM 482 O LYS A 35 -11.152 -10.004 -4.582 1.00 0.00 O ATOM 483 CB LYS A 35 -10.286 -9.615 -1.939 1.00 0.00 C ATOM 484 CG LYS A 35 -9.111 -10.323 -1.264 1.00 0.00 C ATOM 485 CD LYS A 35 -9.586 -11.541 -0.470 1.00 0.00 C ATOM 486 CE LYS A 35 -9.954 -11.151 0.963 1.00 0.00 C ATOM 487 NZ LYS A 35 -11.038 -12.018 1.475 1.00 0.00 N ATOM 0 H LYS A 35 -9.126 -6.744 -2.824 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.748 -8.947 -3.213 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.829 -9.022 -1.203 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.984 -10.355 -2.331 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.389 -10.635 -2.018 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.597 -9.629 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.450 -11.987 -0.963 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.802 -12.298 -0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.078 -11.237 1.606 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.270 -10.108 0.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.275 -11.739 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.879 -11.916 0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.723 -13.009 1.466 1.00 0.00 H new ATOM 496 N GLY A 36 -10.340 -8.028 -5.323 1.00 0.00 N ATOM 497 CA GLY A 36 -10.947 -8.146 -6.638 1.00 0.00 C ATOM 498 C GLY A 36 -10.151 -9.106 -7.526 1.00 0.00 C ATOM 499 O GLY A 36 -10.124 -10.310 -7.274 1.00 0.00 O ATOM 0 H GLY A 36 -9.799 -7.176 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.972 -8.503 -6.538 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -10.995 -7.164 -7.109 1.00 0.00 H new ATOM 503 N GLY A 37 -9.524 -8.537 -8.544 1.00 0.00 N ATOM 504 CA GLY A 37 -8.730 -9.328 -9.469 1.00 0.00 C ATOM 505 C GLY A 37 -7.330 -8.734 -9.638 1.00 0.00 C ATOM 506 O GLY A 37 -6.448 -9.367 -10.217 1.00 0.00 O ATOM 0 H GLY A 37 -9.549 -7.538 -8.749 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.653 -10.352 -9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.229 -9.372 -10.437 1.00 0.00 H new ATOM 510 N ALA A 38 -7.170 -7.524 -9.120 1.00 0.00 N ATOM 511 CA ALA A 38 -5.892 -6.838 -9.207 1.00 0.00 C ATOM 512 C ALA A 38 -4.997 -7.289 -8.050 1.00 0.00 C ATOM 513 O ALA A 38 -4.130 -8.142 -8.230 1.00 0.00 O ATOM 514 CB ALA A 38 -6.124 -5.325 -9.208 1.00 0.00 C ATOM 0 H ALA A 38 -7.903 -7.002 -8.640 1.00 0.00 H new ATOM 0 HA ALA A 38 -5.383 -7.091 -10.137 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -5.166 -4.810 -9.273 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.742 -5.052 -10.064 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.630 -5.034 -8.288 1.00 0.00 H new ATOM 520 N VAL A 39 -5.239 -6.696 -6.891 1.00 0.00 N ATOM 521 CA VAL A 39 -4.465 -7.026 -5.706 1.00 0.00 C ATOM 522 C VAL A 39 -4.888 -8.404 -5.194 1.00 0.00 C ATOM 523 O VAL A 39 -4.141 -9.056 -4.465 1.00 0.00 O ATOM 524 CB VAL A 39 -4.620 -5.925 -4.656 1.00 0.00 C ATOM 525 CG1 VAL A 39 -3.474 -5.967 -3.643 1.00 0.00 C ATOM 526 CG2 VAL A 39 -4.718 -4.547 -5.316 1.00 0.00 C ATOM 0 H VAL A 39 -5.960 -5.989 -6.747 1.00 0.00 H new ATOM 0 HA VAL A 39 -3.403 -7.080 -5.946 1.00 0.00 H new ATOM 0 HB VAL A 39 -5.550 -6.106 -4.117 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.609 -5.174 -2.908 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.470 -6.933 -3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.525 -5.824 -4.161 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.828 -3.782 -4.547 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.813 -4.355 -5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.583 -4.522 -5.979 1.00 0.00 H new ATOM 536 N ALA A 40 -6.084 -8.807 -5.595 1.00 0.00 N ATOM 537 CA ALA A 40 -6.617 -10.097 -5.186 1.00 0.00 C ATOM 538 C ALA A 40 -5.789 -11.211 -5.829 1.00 0.00 C ATOM 539 O ALA A 40 -5.434 -12.185 -5.167 1.00 0.00 O ATOM 540 CB ALA A 40 -8.098 -10.180 -5.558 1.00 0.00 C ATOM 0 H ALA A 40 -6.700 -8.263 -6.199 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.548 -10.216 -4.105 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -8.497 -11.147 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -8.645 -9.385 -5.052 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -8.209 -10.067 -6.636 1.00 0.00 H new ATOM 546 N ALA A 41 -5.509 -11.032 -7.111 1.00 0.00 N ATOM 547 CA ALA A 41 -4.731 -12.011 -7.851 1.00 0.00 C ATOM 548 C ALA A 41 -3.280 -11.973 -7.369 1.00 0.00 C ATOM 549 O ALA A 41 -2.518 -12.910 -7.605 1.00 0.00 O ATOM 550 CB ALA A 41 -4.855 -11.734 -9.351 1.00 0.00 C ATOM 0 H ALA A 41 -5.807 -10.223 -7.657 1.00 0.00 H new ATOM 0 HA ALA A 41 -5.111 -13.017 -7.673 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -4.271 -12.468 -9.906 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.901 -11.802 -9.648 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -4.481 -10.734 -9.568 1.00 0.00 H new ATOM 556 N ASP A 42 -2.940 -10.879 -6.703 1.00 0.00 N ATOM 557 CA ASP A 42 -1.593 -10.707 -6.185 1.00 0.00 C ATOM 558 C ASP A 42 -1.275 -11.844 -5.212 1.00 0.00 C ATOM 559 O ASP A 42 -0.241 -12.499 -5.333 1.00 0.00 O ATOM 560 CB ASP A 42 -1.460 -9.384 -5.428 1.00 0.00 C ATOM 561 CG ASP A 42 -0.183 -8.595 -5.724 1.00 0.00 C ATOM 562 OD1 ASP A 42 0.076 -8.209 -6.874 1.00 0.00 O ATOM 563 OD2 ASP A 42 0.573 -8.375 -4.702 1.00 0.00 O ATOM 0 H ASP A 42 -3.574 -10.103 -6.510 1.00 0.00 H new ATOM 0 HA ASP A 42 -0.904 -10.710 -7.029 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -2.320 -8.758 -5.667 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.503 -9.589 -4.358 1.00 0.00 H new ATOM 568 N GLY A 43 -2.184 -12.043 -4.269 1.00 0.00 N ATOM 569 CA GLY A 43 -2.013 -13.090 -3.276 1.00 0.00 C ATOM 570 C GLY A 43 -2.740 -12.736 -1.976 1.00 0.00 C ATOM 571 O GLY A 43 -2.127 -12.691 -0.910 1.00 0.00 O ATOM 0 H GLY A 43 -3.040 -11.498 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.396 -14.033 -3.666 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.952 -13.236 -3.075 1.00 0.00 H new ATOM 575 N ARG A 44 -4.037 -12.494 -2.108 1.00 0.00 N ATOM 576 CA ARG A 44 -4.853 -12.147 -0.958 1.00 0.00 C ATOM 577 C ARG A 44 -4.077 -11.226 -0.014 1.00 0.00 C ATOM 578 O ARG A 44 -3.838 -11.574 1.142 1.00 0.00 O ATOM 579 CB ARG A 44 -5.290 -13.398 -0.193 1.00 0.00 C ATOM 580 CG ARG A 44 -6.511 -14.044 -0.852 1.00 0.00 C ATOM 581 CD ARG A 44 -6.094 -14.926 -2.031 1.00 0.00 C ATOM 582 NE ARG A 44 -7.048 -14.758 -3.150 1.00 0.00 N ATOM 583 CZ ARG A 44 -6.965 -15.425 -4.321 1.00 0.00 C ATOM 584 NH1 ARG A 44 -5.972 -16.312 -4.536 1.00 0.00 N ATOM 585 NH2 ARG A 44 -7.872 -15.196 -5.252 1.00 0.00 N ATOM 0 H ARG A 44 -4.542 -12.532 -2.994 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.740 -11.632 -1.326 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -4.469 -14.114 -0.160 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.525 -13.135 0.838 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.051 -14.643 -0.118 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -7.195 -13.269 -1.197 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -5.088 -14.661 -2.357 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -6.064 -15.971 -1.722 1.00 0.00 H new ATOM 0 HE ARG A 44 -7.816 -14.097 -3.029 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -5.276 -16.484 -3.811 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -5.917 -16.811 -5.424 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -8.620 -14.524 -5.081 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -7.825 -15.691 -6.143 1.00 0.00 H new ATOM 595 N ILE A 45 -3.703 -10.069 -0.542 1.00 0.00 N ATOM 596 CA ILE A 45 -2.958 -9.096 0.239 1.00 0.00 C ATOM 597 C ILE A 45 -3.575 -8.990 1.635 1.00 0.00 C ATOM 598 O ILE A 45 -4.694 -9.448 1.860 1.00 0.00 O ATOM 599 CB ILE A 45 -2.881 -7.760 -0.502 1.00 0.00 C ATOM 600 CG1 ILE A 45 -1.972 -7.867 -1.729 1.00 0.00 C ATOM 601 CG2 ILE A 45 -2.444 -6.636 0.439 1.00 0.00 C ATOM 602 CD1 ILE A 45 -0.612 -8.459 -1.355 1.00 0.00 C ATOM 0 H ILE A 45 -3.902 -9.784 -1.501 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.926 -9.422 0.369 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.879 -7.509 -0.861 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.448 -8.491 -2.485 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.834 -6.880 -2.171 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.397 -5.697 -0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.163 -6.543 1.253 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.460 -6.866 0.848 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.014 -8.524 -2.245 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.128 -7.820 -0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.752 -9.456 -0.936 1.00 0.00 H new ATOM 613 N GLU A 46 -2.817 -8.383 2.538 1.00 0.00 N ATOM 614 CA GLU A 46 -3.275 -8.210 3.905 1.00 0.00 C ATOM 615 C GLU A 46 -3.296 -6.726 4.274 1.00 0.00 C ATOM 616 O GLU A 46 -2.679 -5.904 3.597 1.00 0.00 O ATOM 617 CB GLU A 46 -2.403 -9.005 4.880 1.00 0.00 C ATOM 618 CG GLU A 46 -2.766 -10.491 4.851 1.00 0.00 C ATOM 619 CD GLU A 46 -3.050 -11.014 6.261 1.00 0.00 C ATOM 620 OE1 GLU A 46 -2.509 -10.480 7.241 1.00 0.00 O ATOM 621 OE2 GLU A 46 -3.867 -12.010 6.319 1.00 0.00 O ATOM 0 H GLU A 46 -1.889 -8.005 2.348 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.291 -8.597 3.979 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.352 -8.878 4.620 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -2.531 -8.615 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.642 -10.643 4.220 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.950 -11.060 4.406 1.00 0.00 H new ATOM 627 N PRO A 47 -4.031 -6.418 5.377 1.00 0.00 N ATOM 628 CA PRO A 47 -4.140 -5.046 5.844 1.00 0.00 C ATOM 629 C PRO A 47 -2.851 -4.599 6.537 1.00 0.00 C ATOM 630 O PRO A 47 -2.436 -3.449 6.400 1.00 0.00 O ATOM 631 CB PRO A 47 -5.345 -5.041 6.771 1.00 0.00 C ATOM 632 CG PRO A 47 -5.583 -6.494 7.152 1.00 0.00 C ATOM 633 CD PRO A 47 -4.775 -7.363 6.204 1.00 0.00 C ATOM 0 HA PRO A 47 -4.277 -4.334 5.030 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -5.156 -4.431 7.655 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.219 -4.619 6.274 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.281 -6.672 8.184 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.643 -6.738 7.083 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -4.103 -8.026 6.750 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -5.423 -7.995 5.597 1.00 0.00 H new ATOM 638 N GLY A 48 -2.254 -5.530 7.265 1.00 0.00 N ATOM 639 CA GLY A 48 -1.022 -5.246 7.980 1.00 0.00 C ATOM 640 C GLY A 48 0.195 -5.428 7.068 1.00 0.00 C ATOM 641 O GLY A 48 1.310 -5.626 7.548 1.00 0.00 O ATOM 0 H GLY A 48 -2.601 -6.483 7.375 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.046 -4.225 8.362 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -0.937 -5.907 8.842 1.00 0.00 H new ATOM 645 N ASP A 49 -0.062 -5.355 5.770 1.00 0.00 N ATOM 646 CA ASP A 49 0.997 -5.510 4.788 1.00 0.00 C ATOM 647 C ASP A 49 2.009 -4.375 4.954 1.00 0.00 C ATOM 648 O ASP A 49 3.187 -4.537 4.636 1.00 0.00 O ATOM 649 CB ASP A 49 0.442 -5.443 3.364 1.00 0.00 C ATOM 650 CG ASP A 49 1.359 -6.021 2.284 1.00 0.00 C ATOM 651 OD1 ASP A 49 2.009 -5.278 1.535 1.00 0.00 O ATOM 652 OD2 ASP A 49 1.390 -7.309 2.228 1.00 0.00 O ATOM 0 H ASP A 49 -0.988 -5.191 5.376 1.00 0.00 H new ATOM 0 HA ASP A 49 1.465 -6.481 4.947 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -0.509 -5.976 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 49 0.231 -4.402 3.121 1.00 0.00 H new ATOM 657 N MET A 50 1.515 -3.251 5.451 1.00 0.00 N ATOM 658 CA MET A 50 2.363 -2.091 5.664 1.00 0.00 C ATOM 659 C MET A 50 2.558 -1.309 4.363 1.00 0.00 C ATOM 660 O MET A 50 3.688 -1.033 3.964 1.00 0.00 O ATOM 661 CB MET A 50 3.723 -2.542 6.197 1.00 0.00 C ATOM 662 CG MET A 50 4.226 -1.593 7.288 1.00 0.00 C ATOM 663 SD MET A 50 5.038 -2.522 8.578 1.00 0.00 S ATOM 664 CE MET A 50 5.124 -1.274 9.851 1.00 0.00 C ATOM 0 H MET A 50 0.538 -3.119 5.712 1.00 0.00 H new ATOM 0 HA MET A 50 1.878 -1.438 6.390 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.644 -3.553 6.597 1.00 0.00 H new ATOM 0 HB3 MET A 50 4.444 -2.578 5.380 1.00 0.00 H new ATOM 0 HG2 MET A 50 4.918 -0.868 6.860 1.00 0.00 H new ATOM 0 HG3 MET A 50 3.391 -1.029 7.705 1.00 0.00 H new ATOM 0 HE1 MET A 50 5.607 -1.689 10.735 1.00 0.00 H new ATOM 0 HE2 MET A 50 5.700 -0.423 9.488 1.00 0.00 H new ATOM 0 HE3 MET A 50 4.117 -0.947 10.108 1.00 0.00 H new ATOM 672 N LEU A 51 1.440 -0.976 3.736 1.00 0.00 N ATOM 673 CA LEU A 51 1.473 -0.233 2.488 1.00 0.00 C ATOM 674 C LEU A 51 1.400 1.266 2.790 1.00 0.00 C ATOM 675 O LEU A 51 0.316 1.847 2.803 1.00 0.00 O ATOM 676 CB LEU A 51 0.376 -0.724 1.542 1.00 0.00 C ATOM 677 CG LEU A 51 0.369 -0.103 0.143 1.00 0.00 C ATOM 678 CD1 LEU A 51 -0.663 1.023 0.048 1.00 0.00 C ATOM 679 CD2 LEU A 51 1.769 0.368 -0.254 1.00 0.00 C ATOM 0 H LEU A 51 0.504 -1.207 4.069 1.00 0.00 H new ATOM 0 HA LEU A 51 2.413 -0.408 1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.471 -1.805 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.591 -0.532 2.008 1.00 0.00 H new ATOM 0 HG LEU A 51 0.073 -0.872 -0.571 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.647 1.447 -0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.656 0.625 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.422 1.800 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.736 0.805 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.117 1.116 0.459 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.453 -0.481 -0.252 1.00 0.00 H new ATOM 690 N LEU A 52 2.566 1.848 3.025 1.00 0.00 N ATOM 691 CA LEU A 52 2.648 3.267 3.325 1.00 0.00 C ATOM 692 C LEU A 52 3.687 3.920 2.411 1.00 0.00 C ATOM 693 O LEU A 52 3.978 5.106 2.545 1.00 0.00 O ATOM 694 CB LEU A 52 2.917 3.484 4.816 1.00 0.00 C ATOM 695 CG LEU A 52 4.356 3.250 5.279 1.00 0.00 C ATOM 696 CD1 LEU A 52 4.885 1.908 4.768 1.00 0.00 C ATOM 697 CD2 LEU A 52 5.260 4.415 4.869 1.00 0.00 C ATOM 0 H LEU A 52 3.463 1.362 3.014 1.00 0.00 H new ATOM 0 HA LEU A 52 1.695 3.755 3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.636 4.506 5.071 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.262 2.823 5.383 1.00 0.00 H new ATOM 0 HG LEU A 52 4.361 3.205 6.368 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.910 1.766 5.111 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.260 1.101 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.863 1.899 3.678 1.00 0.00 H new ATOM 0 HD21 LEU A 52 6.277 4.224 5.210 1.00 0.00 H new ATOM 0 HD22 LEU A 52 5.254 4.516 3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.893 5.337 5.321 1.00 0.00 H new ATOM 708 N GLN A 53 4.218 3.113 1.504 1.00 0.00 N ATOM 709 CA GLN A 53 5.219 3.597 0.568 1.00 0.00 C ATOM 710 C GLN A 53 4.911 3.094 -0.845 1.00 0.00 C ATOM 711 O GLN A 53 4.273 2.057 -1.013 1.00 0.00 O ATOM 712 CB GLN A 53 6.624 3.181 1.004 1.00 0.00 C ATOM 713 CG GLN A 53 6.644 1.725 1.473 1.00 0.00 C ATOM 714 CD GLN A 53 7.750 1.496 2.507 1.00 0.00 C ATOM 715 OE1 GLN A 53 8.596 0.629 2.366 1.00 0.00 O ATOM 716 NE2 GLN A 53 7.695 2.320 3.549 1.00 0.00 N ATOM 0 H GLN A 53 3.974 2.128 1.397 1.00 0.00 H new ATOM 0 HA GLN A 53 5.185 4.686 0.561 1.00 0.00 H new ATOM 0 HB2 GLN A 53 7.319 3.309 0.174 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.966 3.831 1.809 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.678 1.465 1.905 1.00 0.00 H new ATOM 0 HG3 GLN A 53 6.798 1.066 0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.959 3.024 3.604 1.00 0.00 H new ATOM 0 HE22 GLN A 53 8.389 2.248 4.293 1.00 0.00 H new ATOM 723 N VAL A 54 5.382 3.854 -1.823 1.00 0.00 N ATOM 724 CA VAL A 54 5.165 3.497 -3.216 1.00 0.00 C ATOM 725 C VAL A 54 6.436 3.790 -4.017 1.00 0.00 C ATOM 726 O VAL A 54 7.200 4.689 -3.667 1.00 0.00 O ATOM 727 CB VAL A 54 3.935 4.228 -3.758 1.00 0.00 C ATOM 728 CG1 VAL A 54 3.944 4.256 -5.287 1.00 0.00 C ATOM 729 CG2 VAL A 54 2.646 3.598 -3.228 1.00 0.00 C ATOM 0 H VAL A 54 5.912 4.714 -1.680 1.00 0.00 H new ATOM 0 HA VAL A 54 4.960 2.431 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 54 3.974 5.258 -3.404 1.00 0.00 H new ATOM 0 HG11 VAL A 54 3.059 4.781 -5.647 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.839 4.771 -5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.941 3.235 -5.670 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.787 4.136 -3.628 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.597 2.554 -3.538 1.00 0.00 H new ATOM 0 HG23 VAL A 54 2.634 3.654 -2.140 1.00 0.00 H new ATOM 739 N ASN A 55 6.623 3.015 -5.075 1.00 0.00 N ATOM 740 CA ASN A 55 7.788 3.182 -5.927 1.00 0.00 C ATOM 741 C ASN A 55 9.023 3.416 -5.055 1.00 0.00 C ATOM 742 O ASN A 55 9.171 2.797 -4.002 1.00 0.00 O ATOM 743 CB ASN A 55 7.626 4.389 -6.852 1.00 0.00 C ATOM 744 CG ASN A 55 8.433 4.206 -8.139 1.00 0.00 C ATOM 745 OD1 ASN A 55 8.307 3.220 -8.846 1.00 0.00 O ATOM 746 ND2 ASN A 55 9.267 5.208 -8.402 1.00 0.00 N ATOM 0 H ASN A 55 5.988 2.270 -5.362 1.00 0.00 H new ATOM 0 HA ASN A 55 7.898 2.280 -6.529 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.572 4.526 -7.096 1.00 0.00 H new ATOM 0 HB3 ASN A 55 7.954 5.292 -6.338 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.850 5.180 -9.238 1.00 0.00 H new ATOM 0 HD22 ASN A 55 9.323 6.005 -7.767 1.00 0.00 H new ATOM 752 N ASP A 56 9.879 4.311 -5.526 1.00 0.00 N ATOM 753 CA ASP A 56 11.097 4.635 -4.803 1.00 0.00 C ATOM 754 C ASP A 56 10.773 5.632 -3.688 1.00 0.00 C ATOM 755 O ASP A 56 11.675 6.140 -3.023 1.00 0.00 O ATOM 756 CB ASP A 56 12.132 5.280 -5.727 1.00 0.00 C ATOM 757 CG ASP A 56 13.488 4.575 -5.770 1.00 0.00 C ATOM 758 OD1 ASP A 56 14.072 4.376 -6.846 1.00 0.00 O ATOM 759 OD2 ASP A 56 13.954 4.217 -4.620 1.00 0.00 O ATOM 0 H ASP A 56 9.753 4.822 -6.400 1.00 0.00 H new ATOM 0 HA ASP A 56 11.504 3.709 -4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 56 11.724 5.313 -6.737 1.00 0.00 H new ATOM 0 HB3 ASP A 56 12.286 6.312 -5.411 1.00 0.00 H new ATOM 764 N VAL A 57 9.483 5.883 -3.518 1.00 0.00 N ATOM 765 CA VAL A 57 9.028 6.810 -2.496 1.00 0.00 C ATOM 766 C VAL A 57 8.809 6.049 -1.187 1.00 0.00 C ATOM 767 O VAL A 57 8.568 4.844 -1.198 1.00 0.00 O ATOM 768 CB VAL A 57 7.778 7.547 -2.976 1.00 0.00 C ATOM 769 CG1 VAL A 57 6.890 7.947 -1.796 1.00 0.00 C ATOM 770 CG2 VAL A 57 8.151 8.767 -3.822 1.00 0.00 C ATOM 0 H VAL A 57 8.738 5.460 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 57 9.784 7.572 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 57 7.208 6.865 -3.607 1.00 0.00 H new ATOM 0 HG11 VAL A 57 6.008 8.470 -2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.582 7.053 -1.253 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.447 8.603 -1.127 1.00 0.00 H new ATOM 0 HG21 VAL A 57 7.243 9.273 -4.151 1.00 0.00 H new ATOM 0 HG22 VAL A 57 8.753 9.453 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 57 8.722 8.445 -4.693 1.00 0.00 H new ATOM 780 N ASN A 58 8.901 6.787 -0.089 1.00 0.00 N ATOM 781 CA ASN A 58 8.714 6.198 1.226 1.00 0.00 C ATOM 782 C ASN A 58 8.092 7.235 2.162 1.00 0.00 C ATOM 783 O ASN A 58 8.806 7.978 2.834 1.00 0.00 O ATOM 784 CB ASN A 58 10.051 5.761 1.827 1.00 0.00 C ATOM 785 CG ASN A 58 11.021 6.941 1.925 1.00 0.00 C ATOM 786 OD1 ASN A 58 11.216 7.532 2.973 1.00 0.00 O ATOM 787 ND2 ASN A 58 11.615 7.247 0.775 1.00 0.00 N ATOM 0 H ASN A 58 9.102 7.787 -0.084 1.00 0.00 H new ATOM 0 HA ASN A 58 8.065 5.329 1.117 1.00 0.00 H new ATOM 0 HB2 ASN A 58 9.887 5.337 2.818 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.490 4.975 1.213 1.00 0.00 H new ATOM 0 HD21 ASN A 58 12.280 8.019 0.734 1.00 0.00 H new ATOM 0 HD22 ASN A 58 11.405 6.710 -0.066 1.00 0.00 H new ATOM 793 N PHE A 59 6.767 7.255 2.174 1.00 0.00 N ATOM 794 CA PHE A 59 6.039 8.189 3.016 1.00 0.00 C ATOM 795 C PHE A 59 5.985 7.695 4.463 1.00 0.00 C ATOM 796 O PHE A 59 4.911 7.621 5.058 1.00 0.00 O ATOM 797 CB PHE A 59 4.615 8.274 2.465 1.00 0.00 C ATOM 798 CG PHE A 59 4.508 9.013 1.129 1.00 0.00 C ATOM 799 CD1 PHE A 59 5.215 10.157 0.926 1.00 0.00 C ATOM 800 CD2 PHE A 59 3.705 8.525 0.145 1.00 0.00 C ATOM 801 CE1 PHE A 59 5.116 10.843 -0.313 1.00 0.00 C ATOM 802 CE2 PHE A 59 3.606 9.212 -1.094 1.00 0.00 C ATOM 803 CZ PHE A 59 4.313 10.355 -1.297 1.00 0.00 C ATOM 0 H PHE A 59 6.178 6.639 1.613 1.00 0.00 H new ATOM 0 HA PHE A 59 6.535 9.159 3.010 1.00 0.00 H new ATOM 0 HB2 PHE A 59 4.223 7.264 2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.982 8.775 3.197 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.852 10.544 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.144 7.616 0.306 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.678 11.751 -0.474 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.968 8.826 -1.876 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.237 10.876 -2.240 1.00 0.00 H new ATOM 812 N GLU A 60 7.157 7.370 4.989 1.00 0.00 N ATOM 813 CA GLU A 60 7.256 6.886 6.355 1.00 0.00 C ATOM 814 C GLU A 60 6.908 8.003 7.342 1.00 0.00 C ATOM 815 O GLU A 60 6.025 7.840 8.182 1.00 0.00 O ATOM 816 CB GLU A 60 8.649 6.321 6.637 1.00 0.00 C ATOM 817 CG GLU A 60 8.890 5.033 5.847 1.00 0.00 C ATOM 818 CD GLU A 60 8.836 3.810 6.763 1.00 0.00 C ATOM 819 OE1 GLU A 60 7.975 3.738 7.651 1.00 0.00 O ATOM 820 OE2 GLU A 60 9.731 2.911 6.525 1.00 0.00 O ATOM 0 H GLU A 60 8.046 7.433 4.493 1.00 0.00 H new ATOM 0 HA GLU A 60 6.538 6.076 6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 60 9.405 7.060 6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.756 6.123 7.704 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.139 4.938 5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 60 9.861 5.080 5.355 1.00 0.00 H new ATOM 826 N ASN A 61 7.619 9.112 7.205 1.00 0.00 N ATOM 827 CA ASN A 61 7.396 10.256 8.074 1.00 0.00 C ATOM 828 C ASN A 61 5.960 10.752 7.896 1.00 0.00 C ATOM 829 O ASN A 61 5.462 11.527 8.712 1.00 0.00 O ATOM 830 CB ASN A 61 8.341 11.406 7.723 1.00 0.00 C ATOM 831 CG ASN A 61 9.339 11.660 8.855 1.00 0.00 C ATOM 832 OD1 ASN A 61 9.031 11.534 10.029 1.00 0.00 O ATOM 833 ND2 ASN A 61 10.548 12.023 8.439 1.00 0.00 N ATOM 0 H ASN A 61 8.350 9.243 6.506 1.00 0.00 H new ATOM 0 HA ASN A 61 7.578 9.941 9.101 1.00 0.00 H new ATOM 0 HB2 ASN A 61 8.879 11.172 6.805 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.764 12.311 7.532 1.00 0.00 H new ATOM 0 HD21 ASN A 61 11.285 12.215 9.118 1.00 0.00 H new ATOM 0 HD22 ASN A 61 10.739 12.110 7.441 1.00 0.00 H new ATOM 839 N MET A 62 5.335 10.287 6.825 1.00 0.00 N ATOM 840 CA MET A 62 3.966 10.675 6.530 1.00 0.00 C ATOM 841 C MET A 62 3.001 10.117 7.576 1.00 0.00 C ATOM 842 O MET A 62 2.488 10.860 8.412 1.00 0.00 O ATOM 843 CB MET A 62 3.575 10.156 5.145 1.00 0.00 C ATOM 844 CG MET A 62 2.381 10.931 4.584 1.00 0.00 C ATOM 845 SD MET A 62 2.865 11.818 3.112 1.00 0.00 S ATOM 846 CE MET A 62 2.333 10.659 1.863 1.00 0.00 C ATOM 0 H MET A 62 5.751 9.645 6.150 1.00 0.00 H new ATOM 0 HA MET A 62 3.904 11.763 6.550 1.00 0.00 H new ATOM 0 HB2 MET A 62 4.423 10.247 4.466 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.328 9.096 5.207 1.00 0.00 H new ATOM 0 HG2 MET A 62 1.567 10.244 4.353 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.006 11.629 5.332 1.00 0.00 H new ATOM 0 HE1 MET A 62 2.882 10.842 0.939 1.00 0.00 H new ATOM 0 HE2 MET A 62 2.526 9.642 2.204 1.00 0.00 H new ATOM 0 HE3 MET A 62 1.266 10.784 1.682 1.00 0.00 H new ATOM 854 N SER A 63 2.781 8.813 7.496 1.00 0.00 N ATOM 855 CA SER A 63 1.886 8.146 8.426 1.00 0.00 C ATOM 856 C SER A 63 0.874 9.147 8.987 1.00 0.00 C ATOM 857 O SER A 63 0.709 9.252 10.202 1.00 0.00 O ATOM 858 CB SER A 63 2.666 7.485 9.564 1.00 0.00 C ATOM 859 OG SER A 63 1.851 7.262 10.712 1.00 0.00 O ATOM 0 H SER A 63 3.207 8.200 6.801 1.00 0.00 H new ATOM 0 HA SER A 63 1.353 7.364 7.886 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.074 6.535 9.219 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.512 8.115 9.837 1.00 0.00 H new ATOM 0 HG SER A 63 1.588 8.123 11.099 1.00 0.00 H new ATOM 864 N ASN A 64 0.224 9.857 8.077 1.00 0.00 N ATOM 865 CA ASN A 64 -0.766 10.846 8.467 1.00 0.00 C ATOM 866 C ASN A 64 -2.149 10.191 8.501 1.00 0.00 C ATOM 867 O ASN A 64 -3.164 10.866 8.334 1.00 0.00 O ATOM 868 CB ASN A 64 -0.816 12.001 7.464 1.00 0.00 C ATOM 869 CG ASN A 64 -1.076 13.332 8.173 1.00 0.00 C ATOM 870 OD1 ASN A 64 -1.020 13.440 9.387 1.00 0.00 O ATOM 871 ND2 ASN A 64 -1.363 14.336 7.349 1.00 0.00 N ATOM 0 H ASN A 64 0.364 9.767 7.071 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.489 11.231 9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 64 0.126 12.054 6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.601 11.816 6.730 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -1.553 15.265 7.724 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.393 14.177 6.342 1.00 0.00 H new ATOM 877 N ASP A 65 -2.144 8.884 8.718 1.00 0.00 N ATOM 878 CA ASP A 65 -3.385 8.131 8.776 1.00 0.00 C ATOM 879 C ASP A 65 -4.335 8.637 7.688 1.00 0.00 C ATOM 880 O ASP A 65 -5.554 8.577 7.847 1.00 0.00 O ATOM 881 CB ASP A 65 -4.076 8.311 10.129 1.00 0.00 C ATOM 882 CG ASP A 65 -3.143 8.279 11.341 1.00 0.00 C ATOM 883 OD1 ASP A 65 -2.291 9.163 11.515 1.00 0.00 O ATOM 884 OD2 ASP A 65 -3.318 7.280 12.137 1.00 0.00 O ATOM 0 H ASP A 65 -1.300 8.327 8.856 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.147 7.077 8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.608 9.262 10.124 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -4.825 7.527 10.245 1.00 0.00 H new ATOM 889 N ASP A 66 -3.742 9.123 6.609 1.00 0.00 N ATOM 890 CA ASP A 66 -4.521 9.638 5.495 1.00 0.00 C ATOM 891 C ASP A 66 -3.591 9.909 4.310 1.00 0.00 C ATOM 892 O ASP A 66 -3.825 10.831 3.531 1.00 0.00 O ATOM 893 CB ASP A 66 -5.207 10.954 5.866 1.00 0.00 C ATOM 894 CG ASP A 66 -4.263 12.137 6.084 1.00 0.00 C ATOM 895 OD1 ASP A 66 -3.303 12.338 5.325 1.00 0.00 O ATOM 896 OD2 ASP A 66 -4.549 12.883 7.097 1.00 0.00 O ATOM 0 H ASP A 66 -2.731 9.172 6.481 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.277 8.895 5.240 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -5.913 11.213 5.077 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.788 10.800 6.776 1.00 0.00 H new ATOM 901 N ALA A 67 -2.556 9.087 4.211 1.00 0.00 N ATOM 902 CA ALA A 67 -1.590 9.226 3.134 1.00 0.00 C ATOM 903 C ALA A 67 -2.304 9.061 1.791 1.00 0.00 C ATOM 904 O ALA A 67 -1.759 9.418 0.748 1.00 0.00 O ATOM 905 CB ALA A 67 -0.464 8.208 3.326 1.00 0.00 C ATOM 0 H ALA A 67 -2.365 8.323 4.859 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.139 10.218 3.147 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.261 8.311 2.519 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.029 8.387 4.282 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -0.879 7.200 3.314 1.00 0.00 H new ATOM 911 N VAL A 68 -3.511 8.520 1.861 1.00 0.00 N ATOM 912 CA VAL A 68 -4.304 8.304 0.663 1.00 0.00 C ATOM 913 C VAL A 68 -4.499 9.637 -0.063 1.00 0.00 C ATOM 914 O VAL A 68 -4.401 9.702 -1.287 1.00 0.00 O ATOM 915 CB VAL A 68 -5.626 7.624 1.027 1.00 0.00 C ATOM 916 CG1 VAL A 68 -6.713 7.956 0.002 1.00 0.00 C ATOM 917 CG2 VAL A 68 -5.444 6.110 1.161 1.00 0.00 C ATOM 0 H VAL A 68 -3.959 8.225 2.728 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.785 7.634 -0.022 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.947 8.011 1.994 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.642 7.461 0.284 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -6.870 9.034 -0.025 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.402 7.610 -0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.398 5.650 1.420 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.089 5.701 0.215 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.715 5.899 1.944 1.00 0.00 H new ATOM 927 N ARG A 69 -4.770 10.668 0.724 1.00 0.00 N ATOM 928 CA ARG A 69 -4.979 11.996 0.172 1.00 0.00 C ATOM 929 C ARG A 69 -3.932 12.294 -0.903 1.00 0.00 C ATOM 930 O ARG A 69 -4.167 13.110 -1.793 1.00 0.00 O ATOM 931 CB ARG A 69 -4.899 13.065 1.263 1.00 0.00 C ATOM 932 CG ARG A 69 -5.031 14.468 0.668 1.00 0.00 C ATOM 933 CD ARG A 69 -6.150 15.253 1.357 1.00 0.00 C ATOM 934 NE ARG A 69 -7.326 15.348 0.463 1.00 0.00 N ATOM 935 CZ ARG A 69 -8.288 16.289 0.577 1.00 0.00 C ATOM 936 NH1 ARG A 69 -8.222 17.223 1.548 1.00 0.00 N ATOM 937 NH2 ARG A 69 -9.295 16.280 -0.278 1.00 0.00 N ATOM 0 H ARG A 69 -4.850 10.611 1.739 1.00 0.00 H new ATOM 0 HA ARG A 69 -5.975 12.019 -0.270 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -5.689 12.901 1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -3.950 12.979 1.793 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -4.087 15.003 0.776 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -5.237 14.396 -0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -6.430 14.761 2.289 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -5.798 16.252 1.617 1.00 0.00 H new ATOM 0 HE ARG A 69 -7.415 14.660 -0.285 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -7.441 17.222 2.204 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -8.953 17.930 1.626 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -9.337 15.570 -1.009 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -10.031 16.983 -0.207 1.00 0.00 H new ATOM 947 N VAL A 70 -2.799 11.618 -0.784 1.00 0.00 N ATOM 948 CA VAL A 70 -1.715 11.801 -1.735 1.00 0.00 C ATOM 949 C VAL A 70 -1.586 10.545 -2.602 1.00 0.00 C ATOM 950 O VAL A 70 -1.444 10.641 -3.820 1.00 0.00 O ATOM 951 CB VAL A 70 -0.424 12.150 -0.995 1.00 0.00 C ATOM 952 CG1 VAL A 70 0.692 11.160 -1.338 1.00 0.00 C ATOM 953 CG2 VAL A 70 0.008 13.588 -1.295 1.00 0.00 C ATOM 0 H VAL A 70 -2.608 10.943 -0.044 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.928 12.637 -2.402 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.621 12.074 0.074 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.599 11.432 -0.798 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.387 10.154 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.886 11.188 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.929 13.811 -0.756 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.177 13.701 -2.366 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.774 14.277 -0.977 1.00 0.00 H new ATOM 963 N LEU A 71 -1.642 9.400 -1.939 1.00 0.00 N ATOM 964 CA LEU A 71 -1.533 8.128 -2.634 1.00 0.00 C ATOM 965 C LEU A 71 -2.523 8.103 -3.800 1.00 0.00 C ATOM 966 O LEU A 71 -2.194 7.634 -4.889 1.00 0.00 O ATOM 967 CB LEU A 71 -1.707 6.966 -1.654 1.00 0.00 C ATOM 968 CG LEU A 71 -0.664 5.849 -1.747 1.00 0.00 C ATOM 969 CD1 LEU A 71 -0.708 5.171 -3.118 1.00 0.00 C ATOM 970 CD2 LEU A 71 0.733 6.374 -1.411 1.00 0.00 C ATOM 0 H LEU A 71 -1.761 9.326 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.536 8.010 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -1.693 7.366 -0.640 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.693 6.529 -1.810 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.909 5.090 -1.004 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.043 4.382 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.696 4.741 -3.279 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -0.502 5.907 -3.895 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.455 5.561 -1.485 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.003 7.164 -2.112 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.738 6.773 -0.396 1.00 0.00 H new ATOM 981 N ARG A 72 -3.717 8.612 -3.533 1.00 0.00 N ATOM 982 CA ARG A 72 -4.757 8.653 -4.546 1.00 0.00 C ATOM 983 C ARG A 72 -4.351 9.591 -5.685 1.00 0.00 C ATOM 984 O ARG A 72 -4.914 9.525 -6.777 1.00 0.00 O ATOM 985 CB ARG A 72 -6.085 9.128 -3.953 1.00 0.00 C ATOM 986 CG ARG A 72 -7.238 8.892 -4.931 1.00 0.00 C ATOM 987 CD ARG A 72 -8.242 10.046 -4.884 1.00 0.00 C ATOM 988 NE ARG A 72 -9.579 9.539 -4.504 1.00 0.00 N ATOM 989 CZ ARG A 72 -10.475 9.035 -5.380 1.00 0.00 C ATOM 990 NH1 ARG A 72 -10.182 8.968 -6.697 1.00 0.00 N ATOM 991 NH2 ARG A 72 -11.640 8.610 -4.931 1.00 0.00 N ATOM 0 H ARG A 72 -3.987 9.000 -2.629 1.00 0.00 H new ATOM 0 HA ARG A 72 -4.885 7.641 -4.931 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -6.281 8.599 -3.020 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -6.020 10.189 -3.711 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -6.846 8.787 -5.943 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -7.742 7.957 -4.686 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -7.912 10.797 -4.167 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.292 10.535 -5.857 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.840 9.572 -3.519 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -9.279 9.299 -7.036 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.864 8.586 -7.352 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.853 8.665 -3.935 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.328 8.227 -5.580 1.00 0.00 H new ATOM 1001 N GLU A 73 -3.379 10.441 -5.391 1.00 0.00 N ATOM 1002 CA GLU A 73 -2.892 11.390 -6.377 1.00 0.00 C ATOM 1003 C GLU A 73 -1.903 10.710 -7.326 1.00 0.00 C ATOM 1004 O GLU A 73 -1.654 11.201 -8.426 1.00 0.00 O ATOM 1005 CB GLU A 73 -2.254 12.606 -5.700 1.00 0.00 C ATOM 1006 CG GLU A 73 -0.729 12.561 -5.817 1.00 0.00 C ATOM 1007 CD GLU A 73 -0.102 13.856 -5.297 1.00 0.00 C ATOM 1008 OE1 GLU A 73 0.375 13.898 -4.154 1.00 0.00 O ATOM 1009 OE2 GLU A 73 -0.120 14.843 -6.128 1.00 0.00 O ATOM 0 H GLU A 73 -2.915 10.492 -4.484 1.00 0.00 H new ATOM 0 HA GLU A 73 -3.741 11.744 -6.961 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -2.631 13.521 -6.158 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -2.541 12.634 -4.649 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -0.342 11.713 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.445 12.407 -6.858 1.00 0.00 H new ATOM 1015 N ILE A 74 -1.364 9.590 -6.864 1.00 0.00 N ATOM 1016 CA ILE A 74 -0.408 8.838 -7.658 1.00 0.00 C ATOM 1017 C ILE A 74 -1.103 8.298 -8.909 1.00 0.00 C ATOM 1018 O ILE A 74 -1.187 8.988 -9.925 1.00 0.00 O ATOM 1019 CB ILE A 74 0.258 7.754 -6.809 1.00 0.00 C ATOM 1020 CG1 ILE A 74 0.838 8.344 -5.521 1.00 0.00 C ATOM 1021 CG2 ILE A 74 1.312 6.994 -7.617 1.00 0.00 C ATOM 1022 CD1 ILE A 74 2.291 8.777 -5.723 1.00 0.00 C ATOM 0 H ILE A 74 -1.572 9.186 -5.951 1.00 0.00 H new ATOM 0 HA ILE A 74 0.400 9.487 -7.997 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.505 7.033 -6.517 1.00 0.00 H new ATOM 0 HG12 ILE A 74 0.240 9.200 -5.207 1.00 0.00 H new ATOM 0 HG13 ILE A 74 0.783 7.606 -4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 74 1.770 6.229 -6.990 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.839 6.522 -8.478 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.079 7.689 -7.960 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.679 9.193 -4.793 1.00 0.00 H new ATOM 0 HD12 ILE A 74 2.891 7.914 -6.013 1.00 0.00 H new ATOM 0 HD13 ILE A 74 2.340 9.533 -6.507 1.00 0.00 H new ATOM 1033 N VAL A 75 -1.583 7.068 -8.797 1.00 0.00 N ATOM 1034 CA VAL A 75 -2.269 6.428 -9.907 1.00 0.00 C ATOM 1035 C VAL A 75 -3.128 7.463 -10.636 1.00 0.00 C ATOM 1036 O VAL A 75 -3.155 7.498 -11.866 1.00 0.00 O ATOM 1037 CB VAL A 75 -3.076 5.230 -9.403 1.00 0.00 C ATOM 1038 CG1 VAL A 75 -2.167 4.028 -9.140 1.00 0.00 C ATOM 1039 CG2 VAL A 75 -3.876 5.596 -8.151 1.00 0.00 C ATOM 0 H VAL A 75 -1.510 6.498 -7.955 1.00 0.00 H new ATOM 0 HA VAL A 75 -1.549 6.038 -10.627 1.00 0.00 H new ATOM 0 HB VAL A 75 -3.784 4.951 -10.184 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.766 3.190 -8.783 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -1.662 3.745 -10.063 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.425 4.291 -8.386 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -4.441 4.727 -7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -3.193 5.914 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.565 6.408 -8.384 1.00 0.00 H new ATOM 1049 N SER A 76 -3.808 8.283 -9.848 1.00 0.00 N ATOM 1050 CA SER A 76 -4.665 9.316 -10.403 1.00 0.00 C ATOM 1051 C SER A 76 -3.923 10.076 -11.504 1.00 0.00 C ATOM 1052 O SER A 76 -4.353 10.082 -12.656 1.00 0.00 O ATOM 1053 CB SER A 76 -5.136 10.284 -9.314 1.00 0.00 C ATOM 1054 OG SER A 76 -5.649 11.494 -9.863 1.00 0.00 O ATOM 0 H SER A 76 -3.782 8.253 -8.829 1.00 0.00 H new ATOM 0 HA SER A 76 -5.545 8.837 -10.832 1.00 0.00 H new ATOM 0 HB2 SER A 76 -5.906 9.804 -8.711 1.00 0.00 H new ATOM 0 HB3 SER A 76 -4.305 10.512 -8.647 1.00 0.00 H new ATOM 0 HG SER A 76 -5.941 12.085 -9.137 1.00 0.00 H new ATOM 1059 N GLN A 77 -2.821 10.697 -11.110 1.00 0.00 N ATOM 1060 CA GLN A 77 -2.015 11.459 -12.050 1.00 0.00 C ATOM 1061 C GLN A 77 -0.537 11.091 -11.901 1.00 0.00 C ATOM 1062 O GLN A 77 -0.156 9.941 -12.113 1.00 0.00 O ATOM 1063 CB GLN A 77 -2.228 12.962 -11.863 1.00 0.00 C ATOM 1064 CG GLN A 77 -3.693 13.342 -12.093 1.00 0.00 C ATOM 1065 CD GLN A 77 -3.807 14.526 -13.055 1.00 0.00 C ATOM 1066 OE1 GLN A 77 -3.915 15.674 -12.657 1.00 0.00 O ATOM 1067 NE2 GLN A 77 -3.779 14.183 -14.339 1.00 0.00 N ATOM 0 H GLN A 77 -2.467 10.688 -10.153 1.00 0.00 H new ATOM 0 HA GLN A 77 -2.333 11.204 -13.061 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -1.927 13.253 -10.857 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -1.593 13.512 -12.557 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.235 12.487 -12.497 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -4.161 13.595 -11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.686 13.202 -14.603 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -3.850 14.901 -15.060 1.00 0.00 H new ATOM 1074 N THR A 78 0.254 12.090 -11.539 1.00 0.00 N ATOM 1075 CA THR A 78 1.681 11.887 -11.360 1.00 0.00 C ATOM 1076 C THR A 78 1.937 10.705 -10.420 1.00 0.00 C ATOM 1077 O THR A 78 1.007 9.999 -10.037 1.00 0.00 O ATOM 1078 CB THR A 78 2.288 13.200 -10.863 1.00 0.00 C ATOM 1079 OG1 THR A 78 1.559 13.491 -9.673 1.00 0.00 O ATOM 1080 CG2 THR A 78 1.974 14.377 -11.789 1.00 0.00 C ATOM 0 H THR A 78 -0.067 13.043 -11.365 1.00 0.00 H new ATOM 0 HA THR A 78 2.164 11.625 -12.301 1.00 0.00 H new ATOM 0 HB THR A 78 3.368 13.089 -10.770 1.00 0.00 H new ATOM 0 HG1 THR A 78 1.890 14.327 -9.283 1.00 0.00 H new ATOM 0 HG21 THR A 78 2.428 15.284 -11.391 1.00 0.00 H new ATOM 0 HG22 THR A 78 2.376 14.176 -12.782 1.00 0.00 H new ATOM 0 HG23 THR A 78 0.894 14.510 -11.855 1.00 0.00 H new ATOM 1088 N GLY A 79 3.205 10.528 -10.078 1.00 0.00 N ATOM 1089 CA GLY A 79 3.596 9.445 -9.191 1.00 0.00 C ATOM 1090 C GLY A 79 3.530 8.096 -9.911 1.00 0.00 C ATOM 1091 O GLY A 79 2.460 7.673 -10.348 1.00 0.00 O ATOM 0 H GLY A 79 3.974 11.116 -10.399 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.608 9.617 -8.825 1.00 0.00 H new ATOM 0 HA3 GLY A 79 2.941 9.429 -8.320 1.00 0.00 H new ATOM 1095 N PRO A 80 4.717 7.441 -10.015 1.00 0.00 N ATOM 1096 CA PRO A 80 4.805 6.150 -10.674 1.00 0.00 C ATOM 1097 C PRO A 80 4.232 5.043 -9.787 1.00 0.00 C ATOM 1098 O PRO A 80 4.329 5.110 -8.563 1.00 0.00 O ATOM 1099 CB PRO A 80 6.282 5.962 -10.979 1.00 0.00 C ATOM 1100 CG PRO A 80 7.021 6.933 -10.072 1.00 0.00 C ATOM 1101 CD PRO A 80 6.004 7.912 -9.509 1.00 0.00 C ATOM 0 HA PRO A 80 4.215 6.104 -11.589 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.593 4.935 -10.788 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.494 6.169 -12.028 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.521 6.397 -9.266 1.00 0.00 H new ATOM 0 HG3 PRO A 80 7.793 7.463 -10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.022 7.919 -8.419 1.00 0.00 H new ATOM 0 HD3 PRO A 80 6.210 8.930 -9.838 1.00 0.00 H new ATOM 1106 N ILE A 81 3.647 4.048 -10.439 1.00 0.00 N ATOM 1107 CA ILE A 81 3.060 2.928 -9.726 1.00 0.00 C ATOM 1108 C ILE A 81 4.169 1.974 -9.279 1.00 0.00 C ATOM 1109 O ILE A 81 5.168 1.807 -9.978 1.00 0.00 O ATOM 1110 CB ILE A 81 1.979 2.257 -10.578 1.00 0.00 C ATOM 1111 CG1 ILE A 81 0.605 2.873 -10.303 1.00 0.00 C ATOM 1112 CG2 ILE A 81 1.979 0.741 -10.371 1.00 0.00 C ATOM 1113 CD1 ILE A 81 -0.343 2.646 -11.483 1.00 0.00 C ATOM 0 H ILE A 81 3.568 3.995 -11.455 1.00 0.00 H new ATOM 0 HA ILE A 81 2.555 3.275 -8.825 1.00 0.00 H new ATOM 0 HB ILE A 81 2.210 2.438 -11.628 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.180 2.434 -9.400 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.712 3.942 -10.118 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.202 0.290 -10.988 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.950 0.335 -10.656 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.785 0.517 -9.322 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.312 3.093 -11.262 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.074 3.107 -12.378 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.467 1.576 -11.650 1.00 0.00 H new ATOM 1124 N SER A 82 3.957 1.374 -8.116 1.00 0.00 N ATOM 1125 CA SER A 82 4.928 0.441 -7.568 1.00 0.00 C ATOM 1126 C SER A 82 4.809 0.400 -6.043 1.00 0.00 C ATOM 1127 O SER A 82 5.817 0.433 -5.338 1.00 0.00 O ATOM 1128 CB SER A 82 6.352 0.822 -7.979 1.00 0.00 C ATOM 1129 OG SER A 82 6.758 0.157 -9.172 1.00 0.00 O ATOM 0 H SER A 82 3.128 1.516 -7.539 1.00 0.00 H new ATOM 0 HA SER A 82 4.716 -0.550 -7.971 1.00 0.00 H new ATOM 0 HB2 SER A 82 6.411 1.900 -8.127 1.00 0.00 H new ATOM 0 HB3 SER A 82 7.041 0.573 -7.172 1.00 0.00 H new ATOM 0 HG SER A 82 6.200 0.457 -9.920 1.00 0.00 H new ATOM 1134 N LEU A 83 3.570 0.327 -5.580 1.00 0.00 N ATOM 1135 CA LEU A 83 3.307 0.280 -4.151 1.00 0.00 C ATOM 1136 C LEU A 83 4.464 -0.431 -3.448 1.00 0.00 C ATOM 1137 O LEU A 83 5.046 -1.367 -3.993 1.00 0.00 O ATOM 1138 CB LEU A 83 1.940 -0.351 -3.879 1.00 0.00 C ATOM 1139 CG LEU A 83 0.868 -0.117 -4.945 1.00 0.00 C ATOM 1140 CD1 LEU A 83 0.978 -1.147 -6.071 1.00 0.00 C ATOM 1141 CD2 LEU A 83 -0.529 -0.096 -4.322 1.00 0.00 C ATOM 0 H LEU A 83 2.737 0.299 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 83 3.254 1.288 -3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 83 2.076 -1.426 -3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 83 1.568 0.032 -2.928 1.00 0.00 H new ATOM 0 HG LEU A 83 1.038 0.864 -5.389 1.00 0.00 H new ATOM 0 HD11 LEU A 83 0.204 -0.957 -6.815 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.959 -1.070 -6.540 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.850 -2.149 -5.661 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -1.272 0.072 -5.101 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -0.724 -1.051 -3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -0.587 0.706 -3.586 1.00 0.00 H new ATOM 1152 N THR A 84 4.764 0.042 -2.246 1.00 0.00 N ATOM 1153 CA THR A 84 5.841 -0.536 -1.461 1.00 0.00 C ATOM 1154 C THR A 84 5.411 -0.699 -0.003 1.00 0.00 C ATOM 1155 O THR A 84 4.669 0.128 0.525 1.00 0.00 O ATOM 1156 CB THR A 84 7.079 0.347 -1.635 1.00 0.00 C ATOM 1157 OG1 THR A 84 7.422 0.198 -3.011 1.00 0.00 O ATOM 1158 CG2 THR A 84 8.297 -0.199 -0.887 1.00 0.00 C ATOM 0 H THR A 84 4.279 0.819 -1.797 1.00 0.00 H new ATOM 0 HA THR A 84 6.088 -1.540 -1.807 1.00 0.00 H new ATOM 0 HB THR A 84 6.858 1.355 -1.283 1.00 0.00 H new ATOM 0 HG1 THR A 84 7.618 -0.744 -3.199 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.148 0.464 -1.043 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.074 -0.258 0.178 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.539 -1.193 -1.262 1.00 0.00 H new ATOM 1166 N VAL A 85 5.894 -1.771 0.608 1.00 0.00 N ATOM 1167 CA VAL A 85 5.569 -2.053 1.995 1.00 0.00 C ATOM 1168 C VAL A 85 6.834 -2.501 2.731 1.00 0.00 C ATOM 1169 O VAL A 85 7.759 -3.028 2.115 1.00 0.00 O ATOM 1170 CB VAL A 85 4.438 -3.081 2.069 1.00 0.00 C ATOM 1171 CG1 VAL A 85 3.239 -2.639 1.228 1.00 0.00 C ATOM 1172 CG2 VAL A 85 4.928 -4.466 1.640 1.00 0.00 C ATOM 0 H VAL A 85 6.509 -2.455 0.167 1.00 0.00 H new ATOM 0 HA VAL A 85 5.206 -1.154 2.492 1.00 0.00 H new ATOM 0 HB VAL A 85 4.112 -3.147 3.107 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.450 -3.387 1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.867 -1.684 1.598 1.00 0.00 H new ATOM 0 HG13 VAL A 85 3.545 -2.531 0.187 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.105 -5.178 1.702 1.00 0.00 H new ATOM 0 HG22 VAL A 85 5.293 -4.421 0.614 1.00 0.00 H new ATOM 0 HG23 VAL A 85 5.735 -4.786 2.299 1.00 0.00 H new ATOM 1182 N ALA A 86 6.833 -2.274 4.036 1.00 0.00 N ATOM 1183 CA ALA A 86 7.968 -2.648 4.861 1.00 0.00 C ATOM 1184 C ALA A 86 7.748 -4.056 5.416 1.00 0.00 C ATOM 1185 O ALA A 86 8.033 -4.319 6.584 1.00 0.00 O ATOM 1186 CB ALA A 86 8.160 -1.609 5.967 1.00 0.00 C ATOM 0 H ALA A 86 6.064 -1.836 4.542 1.00 0.00 H new ATOM 0 HA ALA A 86 8.883 -2.666 4.269 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.012 -1.890 6.586 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.343 -0.632 5.520 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.262 -1.564 6.584 1.00 0.00 H new ATOM 1192 N LYS A 87 7.243 -4.926 4.554 1.00 0.00 N ATOM 1193 CA LYS A 87 6.981 -6.301 4.943 1.00 0.00 C ATOM 1194 C LYS A 87 6.156 -6.314 6.232 1.00 0.00 C ATOM 1195 O LYS A 87 5.871 -5.261 6.800 1.00 0.00 O ATOM 1196 CB LYS A 87 8.290 -7.088 5.044 1.00 0.00 C ATOM 1197 CG LYS A 87 8.370 -8.161 3.956 1.00 0.00 C ATOM 1198 CD LYS A 87 7.485 -9.360 4.304 1.00 0.00 C ATOM 1199 CE LYS A 87 6.089 -9.207 3.698 1.00 0.00 C ATOM 1200 NZ LYS A 87 5.698 -10.442 2.981 1.00 0.00 N ATOM 0 H LYS A 87 7.008 -4.705 3.586 1.00 0.00 H new ATOM 0 HA LYS A 87 6.389 -6.806 4.180 1.00 0.00 H new ATOM 0 HB2 LYS A 87 9.136 -6.407 4.951 1.00 0.00 H new ATOM 0 HB3 LYS A 87 8.363 -7.555 6.026 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.058 -7.739 3.000 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.403 -8.489 3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 87 7.947 -10.276 3.935 1.00 0.00 H new ATOM 0 HD3 LYS A 87 7.406 -9.456 5.387 1.00 0.00 H new ATOM 0 HE2 LYS A 87 5.366 -8.992 4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.075 -8.361 3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.748 -10.322 2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.379 -10.631 2.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.692 -11.242 3.645 1.00 0.00 H new ATOM 1209 N ALA A 88 5.795 -7.517 6.654 1.00 0.00 N ATOM 1210 CA ALA A 88 5.007 -7.680 7.864 1.00 0.00 C ATOM 1211 C ALA A 88 4.764 -9.170 8.112 1.00 0.00 C ATOM 1212 O ALA A 88 4.169 -9.852 7.279 1.00 0.00 O ATOM 1213 CB ALA A 88 3.704 -6.890 7.735 1.00 0.00 C ATOM 0 H ALA A 88 6.034 -8.388 6.180 1.00 0.00 H new ATOM 0 HA ALA A 88 5.543 -7.285 8.727 1.00 0.00 H new ATOM 0 HB1 ALA A 88 3.113 -7.012 8.643 1.00 0.00 H new ATOM 0 HB2 ALA A 88 3.932 -5.834 7.590 1.00 0.00 H new ATOM 0 HB3 ALA A 88 3.137 -7.260 6.880 1.00 0.00 H new ATOM 1219 N TRP A 89 5.238 -9.631 9.260 1.00 0.00 N ATOM 1220 CA TRP A 89 5.079 -11.027 9.628 1.00 0.00 C ATOM 1221 C TRP A 89 3.656 -11.454 9.263 1.00 0.00 C ATOM 1222 O TRP A 89 2.687 -10.934 9.815 1.00 0.00 O ATOM 1223 CB TRP A 89 5.408 -11.246 11.107 1.00 0.00 C ATOM 1224 CG TRP A 89 6.707 -12.018 11.347 1.00 0.00 C ATOM 1225 CD1 TRP A 89 7.269 -12.951 10.568 1.00 0.00 C ATOM 1226 CD2 TRP A 89 7.590 -11.883 12.481 1.00 0.00 C ATOM 1227 NE1 TRP A 89 8.444 -13.427 11.113 1.00 0.00 N ATOM 1228 CE2 TRP A 89 8.646 -12.756 12.315 1.00 0.00 C ATOM 1229 CE3 TRP A 89 7.500 -11.050 13.610 1.00 0.00 C ATOM 1230 CZ2 TRP A 89 9.690 -12.881 13.238 1.00 0.00 C ATOM 1231 CZ3 TRP A 89 8.551 -11.187 14.524 1.00 0.00 C ATOM 1232 CH2 TRP A 89 9.621 -12.061 14.371 1.00 0.00 C ATOM 0 H TRP A 89 5.732 -9.062 9.947 1.00 0.00 H new ATOM 0 HA TRP A 89 5.782 -11.652 9.078 1.00 0.00 H new ATOM 0 HB2 TRP A 89 5.477 -10.277 11.601 1.00 0.00 H new ATOM 0 HB3 TRP A 89 4.585 -11.785 11.576 1.00 0.00 H new ATOM 0 HD1 TRP A 89 6.854 -13.289 9.630 1.00 0.00 H new ATOM 0 HE1 TRP A 89 9.052 -14.139 10.709 1.00 0.00 H new ATOM 0 HE3 TRP A 89 6.684 -10.359 13.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 10.505 -13.573 13.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 8.529 -10.570 15.410 1.00 0.00 H new ATOM 0 HH2 TRP A 89 10.395 -12.107 15.122 1.00 0.00 H new ATOM 1242 N ASP A 90 3.574 -12.396 8.335 1.00 0.00 N ATOM 1243 CA ASP A 90 2.285 -12.898 7.890 1.00 0.00 C ATOM 1244 C ASP A 90 2.490 -14.204 7.120 1.00 0.00 C ATOM 1245 O ASP A 90 3.555 -14.431 6.548 1.00 0.00 O ATOM 1246 CB ASP A 90 1.599 -11.900 6.955 1.00 0.00 C ATOM 1247 CG ASP A 90 0.252 -11.371 7.451 1.00 0.00 C ATOM 1248 OD1 ASP A 90 -0.384 -11.968 8.332 1.00 0.00 O ATOM 1249 OD2 ASP A 90 -0.148 -10.283 6.885 1.00 0.00 O ATOM 0 H ASP A 90 4.379 -12.825 7.879 1.00 0.00 H new ATOM 0 HA ASP A 90 1.661 -13.055 8.770 1.00 0.00 H new ATOM 0 HB2 ASP A 90 2.268 -11.054 6.796 1.00 0.00 H new ATOM 0 HB3 ASP A 90 1.451 -12.376 5.986 1.00 0.00 H new ATOM 1254 N PRO A 91 1.426 -15.050 7.130 1.00 0.00 N ATOM 1255 CA PRO A 91 1.478 -16.328 6.440 1.00 0.00 C ATOM 1256 C PRO A 91 1.356 -16.138 4.926 1.00 0.00 C ATOM 1257 O PRO A 91 0.275 -15.849 4.419 1.00 0.00 O ATOM 1258 CB PRO A 91 0.338 -17.142 7.030 1.00 0.00 C ATOM 1259 CG PRO A 91 -0.593 -16.137 7.689 1.00 0.00 C ATOM 1260 CD PRO A 91 0.149 -14.814 7.798 1.00 0.00 C ATOM 0 HA PRO A 91 2.429 -16.842 6.579 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.181 -17.706 6.255 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.709 -17.865 7.756 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.503 -16.017 7.101 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -0.896 -16.487 8.676 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -0.406 -14.008 7.318 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.294 -14.526 8.839 1.00 0.00 H new ATOM 1265 N THR A 92 2.482 -16.310 4.249 1.00 0.00 N ATOM 1266 CA THR A 92 2.515 -16.161 2.804 1.00 0.00 C ATOM 1267 C THR A 92 2.863 -17.494 2.138 1.00 0.00 C ATOM 1268 O THR A 92 3.965 -18.011 2.316 1.00 0.00 O ATOM 1269 CB THR A 92 3.499 -15.039 2.465 1.00 0.00 C ATOM 1270 OG1 THR A 92 3.229 -14.741 1.099 1.00 0.00 O ATOM 1271 CG2 THR A 92 4.952 -15.515 2.464 1.00 0.00 C ATOM 0 H THR A 92 3.377 -16.551 4.674 1.00 0.00 H new ATOM 0 HA THR A 92 1.536 -15.883 2.414 1.00 0.00 H new ATOM 0 HB THR A 92 3.385 -14.227 3.183 1.00 0.00 H new ATOM 0 HG1 THR A 92 3.822 -14.022 0.798 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.608 -14.680 2.218 1.00 0.00 H new ATOM 0 HG22 THR A 92 5.209 -15.900 3.451 1.00 0.00 H new ATOM 0 HG23 THR A 92 5.076 -16.305 1.723 1.00 0.00 H new ATOM 1279 N PRO A 93 1.878 -18.026 1.367 1.00 0.00 N ATOM 1280 CA PRO A 93 2.070 -19.290 0.674 1.00 0.00 C ATOM 1281 C PRO A 93 2.977 -19.114 -0.545 1.00 0.00 C ATOM 1282 O PRO A 93 4.018 -19.761 -0.646 1.00 0.00 O ATOM 1283 CB PRO A 93 0.669 -19.755 0.311 1.00 0.00 C ATOM 1284 CG PRO A 93 -0.216 -18.521 0.398 1.00 0.00 C ATOM 1285 CD PRO A 93 0.560 -17.442 1.134 1.00 0.00 C ATOM 0 HA PRO A 93 2.576 -20.035 1.288 1.00 0.00 H new ATOM 0 HB2 PRO A 93 0.647 -20.182 -0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 93 0.326 -20.531 0.995 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -0.493 -18.179 -0.599 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -1.142 -18.752 0.925 1.00 0.00 H new ATOM 0 HD2 PRO A 93 0.630 -16.530 0.541 1.00 0.00 H new ATOM 0 HD3 PRO A 93 0.074 -17.175 2.072 1.00 0.00 H new ATOM 1290 N ARG A 94 2.548 -18.237 -1.440 1.00 0.00 N ATOM 1291 CA ARG A 94 3.309 -17.969 -2.649 1.00 0.00 C ATOM 1292 C ARG A 94 2.881 -16.633 -3.259 1.00 0.00 C ATOM 1293 O ARG A 94 1.845 -16.081 -2.893 1.00 0.00 O ATOM 1294 CB ARG A 94 3.112 -19.080 -3.682 1.00 0.00 C ATOM 1295 CG ARG A 94 1.659 -19.136 -4.157 1.00 0.00 C ATOM 1296 CD ARG A 94 1.567 -19.700 -5.576 1.00 0.00 C ATOM 1297 NE ARG A 94 0.508 -18.996 -6.334 1.00 0.00 N ATOM 1298 CZ ARG A 94 -0.078 -19.485 -7.447 1.00 0.00 C ATOM 1299 NH1 ARG A 94 0.287 -20.687 -7.943 1.00 0.00 N ATOM 1300 NH2 ARG A 94 -1.013 -18.769 -8.044 1.00 0.00 N ATOM 0 H ARG A 94 1.683 -17.703 -1.353 1.00 0.00 H new ATOM 0 HA ARG A 94 4.363 -17.927 -2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 94 3.770 -18.910 -4.534 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.394 -20.039 -3.248 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.074 -19.755 -3.477 1.00 0.00 H new ATOM 0 HG3 ARG A 94 1.225 -18.136 -4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 94 2.525 -19.587 -6.084 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.350 -20.768 -5.538 1.00 0.00 H new ATOM 0 HE ARG A 94 0.202 -18.084 -5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.011 -21.233 -7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.161 -21.049 -8.785 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.282 -17.862 -7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.467 -19.123 -8.886 1.00 0.00 H new ATOM 1310 N SER A 95 3.702 -16.150 -4.181 1.00 0.00 N ATOM 1311 CA SER A 95 3.422 -14.889 -4.846 1.00 0.00 C ATOM 1312 C SER A 95 3.504 -13.737 -3.842 1.00 0.00 C ATOM 1313 O SER A 95 4.476 -12.985 -3.833 1.00 0.00 O ATOM 1314 CB SER A 95 2.046 -14.913 -5.514 1.00 0.00 C ATOM 1315 OG SER A 95 2.086 -14.384 -6.838 1.00 0.00 O ATOM 0 H SER A 95 4.561 -16.610 -4.483 1.00 0.00 H new ATOM 0 HA SER A 95 4.172 -14.739 -5.623 1.00 0.00 H new ATOM 0 HB2 SER A 95 1.675 -15.938 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.342 -14.337 -4.914 1.00 0.00 H new ATOM 0 HG SER A 95 1.189 -14.418 -7.231 1.00 0.00 H new TER 1320 SER A 95