USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 685 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 83 HIS : no HE2:sc= 0.87 K(o=0.87,f=-2.6!) USER MOD Set 1.2: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 62 ASN : amide:sc= 0.992 X(o=1.9,f=1.7) USER MOD Set 2.2: A 64 SER OG : rot 180:sc= 0.883 USER MOD Set 3.1: A 13 GLN : amide:sc= 1.2 K(o=1.9,f=-4.5!) USER MOD Set 3.2: A 36 ASN : amide:sc= 0.729 K(o=1.9,f=-0.89) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.419 (180deg=-0.988) USER MOD Single : A 1 MET N :NH3+ -119:sc= 0.105 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0.943 K(o=0.94,f=-0.22) USER MOD Single : A 4 TYR OH : rot 112:sc= 1.99 USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0.329 K(o=0.33,f=-4.6!) USER MOD Single : A 23 MET CE :methyl 162:sc= -0.603 (180deg=-1.55!) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.16 (180deg=1.14) USER MOD Single : A 29 LYS NZ :NH3+ 173:sc= 1.23 (180deg=1.18) USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 0.962 (180deg=0.957) USER MOD Single : A 51 ASN : amide:sc= 0.834 K(o=0.83,f=-3.7!) USER MOD Single : A 54 GLN : amide:sc= 0.973 K(o=0.97,f=-0.45) USER MOD Single : A 55 SER OG : rot 88:sc= 1.29 USER MOD Single : A 61 LYS NZ :NH3+ 177:sc= 1.25 (180deg=1.23) USER MOD Single : A 67 SER OG : rot 170:sc= 0.00185 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 84 HIS : no HE2:sc= 0.206 K(o=0.21,f=-0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.055 -0.705 1.714 1.00 0.00 N ATOM 2 CA MET A 1 2.538 -0.309 0.376 1.00 0.00 C ATOM 3 C MET A 1 3.034 -1.285 -0.707 1.00 0.00 C ATOM 4 O MET A 1 3.789 -2.213 -0.414 1.00 0.00 O ATOM 5 CB MET A 1 2.851 1.167 0.046 1.00 0.00 C ATOM 6 CG MET A 1 1.876 2.145 0.718 1.00 0.00 C ATOM 7 SD MET A 1 2.222 3.898 0.393 1.00 0.00 S ATOM 8 CE MET A 1 2.037 3.918 -1.409 1.00 0.00 C ATOM 0 H1 MET A 1 2.257 -0.917 2.346 1.00 0.00 H new ATOM 0 H2 MET A 1 3.655 -1.549 1.618 1.00 0.00 H new ATOM 0 H3 MET A 1 3.615 0.074 2.114 1.00 0.00 H new ATOM 0 HA MET A 1 1.450 -0.379 0.398 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.868 1.398 0.364 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.815 1.309 -1.034 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.865 1.919 0.380 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.898 1.977 1.795 1.00 0.00 H new ATOM 0 HE1 MET A 1 1.933 4.947 -1.753 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.917 3.469 -1.870 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.150 3.350 -1.690 1.00 0.00 H new ATOM 20 N LEU A 2 2.548 -1.144 -1.947 1.00 0.00 N ATOM 21 CA LEU A 2 2.367 -2.252 -2.884 1.00 0.00 C ATOM 22 C LEU A 2 2.849 -1.886 -4.294 1.00 0.00 C ATOM 23 O LEU A 2 3.234 -0.744 -4.556 1.00 0.00 O ATOM 24 CB LEU A 2 0.859 -2.578 -2.905 1.00 0.00 C ATOM 25 CG LEU A 2 0.418 -3.803 -2.096 1.00 0.00 C ATOM 26 CD1 LEU A 2 0.818 -3.791 -0.617 1.00 0.00 C ATOM 27 CD2 LEU A 2 -1.094 -3.965 -2.230 1.00 0.00 C ATOM 0 H LEU A 2 2.266 -0.242 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 2 2.957 -3.111 -2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 2 0.316 -1.709 -2.534 1.00 0.00 H new ATOM 0 HB3 LEU A 2 0.555 -2.725 -3.941 1.00 0.00 H new ATOM 0 HG LEU A 2 0.953 -4.653 -2.520 1.00 0.00 H new ATOM 0 HD11 LEU A 2 0.459 -4.701 -0.136 1.00 0.00 H new ATOM 0 HD12 LEU A 2 1.904 -3.741 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 2 0.376 -2.923 -0.128 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -1.419 -4.834 -1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -1.591 -3.073 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -1.353 -4.104 -3.280 1.00 0.00 H new ATOM 39 N GLN A 3 2.804 -2.859 -5.211 1.00 0.00 N ATOM 40 CA GLN A 3 3.186 -2.719 -6.615 1.00 0.00 C ATOM 41 C GLN A 3 2.315 -3.646 -7.475 1.00 0.00 C ATOM 42 O GLN A 3 1.827 -4.658 -6.969 1.00 0.00 O ATOM 43 CB GLN A 3 4.696 -3.041 -6.725 1.00 0.00 C ATOM 44 CG GLN A 3 5.238 -3.316 -8.137 1.00 0.00 C ATOM 45 CD GLN A 3 6.730 -3.636 -8.128 1.00 0.00 C ATOM 46 OE1 GLN A 3 7.142 -4.735 -7.763 1.00 0.00 O ATOM 47 NE2 GLN A 3 7.564 -2.708 -8.558 1.00 0.00 N ATOM 0 H GLN A 3 2.488 -3.802 -4.983 1.00 0.00 H new ATOM 0 HA GLN A 3 3.022 -1.706 -6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 3 5.254 -2.206 -6.302 1.00 0.00 H new ATOM 0 HB3 GLN A 3 4.905 -3.912 -6.104 1.00 0.00 H new ATOM 0 HG2 GLN A 3 4.692 -4.150 -8.578 1.00 0.00 H new ATOM 0 HG3 GLN A 3 5.058 -2.447 -8.769 1.00 0.00 H new ATOM 0 HE21 GLN A 3 7.207 -1.801 -8.858 1.00 0.00 H new ATOM 0 HE22 GLN A 3 8.566 -2.898 -8.591 1.00 0.00 H new ATOM 56 N TYR A 4 2.181 -3.354 -8.774 1.00 0.00 N ATOM 57 CA TYR A 4 1.684 -4.301 -9.774 1.00 0.00 C ATOM 58 C TYR A 4 2.725 -4.520 -10.873 1.00 0.00 C ATOM 59 O TYR A 4 3.654 -3.724 -11.043 1.00 0.00 O ATOM 60 CB TYR A 4 0.308 -3.883 -10.354 1.00 0.00 C ATOM 61 CG TYR A 4 0.196 -2.577 -11.149 1.00 0.00 C ATOM 62 CD1 TYR A 4 1.071 -2.256 -12.211 1.00 0.00 C ATOM 63 CD2 TYR A 4 -0.868 -1.695 -10.871 1.00 0.00 C ATOM 64 CE1 TYR A 4 0.974 -1.027 -12.878 1.00 0.00 C ATOM 65 CE2 TYR A 4 -0.985 -0.469 -11.546 1.00 0.00 C ATOM 66 CZ TYR A 4 -0.040 -0.113 -12.534 1.00 0.00 C ATOM 67 OH TYR A 4 -0.085 1.092 -13.165 1.00 0.00 O ATOM 0 H TYR A 4 2.418 -2.441 -9.163 1.00 0.00 H new ATOM 0 HA TYR A 4 1.521 -5.253 -9.270 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.034 -4.691 -11.001 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.394 -3.822 -9.522 1.00 0.00 H new ATOM 0 HD1 TYR A 4 1.825 -2.968 -12.513 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.604 -1.966 -10.128 1.00 0.00 H new ATOM 0 HE1 TYR A 4 1.679 -0.781 -13.658 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -1.798 0.202 -11.310 1.00 0.00 H new ATOM 0 HH TYR A 4 -0.881 1.133 -13.735 1.00 0.00 H new ATOM 77 N ARG A 5 2.483 -5.540 -11.695 1.00 0.00 N ATOM 78 CA ARG A 5 2.998 -5.667 -13.055 1.00 0.00 C ATOM 79 C ARG A 5 1.800 -6.110 -13.887 1.00 0.00 C ATOM 80 O ARG A 5 1.041 -6.971 -13.441 1.00 0.00 O ATOM 81 CB ARG A 5 4.143 -6.692 -13.092 1.00 0.00 C ATOM 82 CG ARG A 5 4.780 -6.807 -14.488 1.00 0.00 C ATOM 83 CD ARG A 5 5.886 -7.868 -14.480 1.00 0.00 C ATOM 84 NE ARG A 5 6.430 -8.097 -15.827 1.00 0.00 N ATOM 85 CZ ARG A 5 7.292 -9.054 -16.183 1.00 0.00 C ATOM 86 NH1 ARG A 5 7.779 -9.917 -15.292 1.00 0.00 N ATOM 87 NH2 ARG A 5 7.649 -9.122 -17.457 1.00 0.00 N ATOM 0 H ARG A 5 1.900 -6.331 -11.420 1.00 0.00 H new ATOM 0 HA ARG A 5 3.418 -4.738 -13.441 1.00 0.00 H new ATOM 0 HB2 ARG A 5 4.907 -6.406 -12.369 1.00 0.00 H new ATOM 0 HB3 ARG A 5 3.764 -7.667 -12.787 1.00 0.00 H new ATOM 0 HG2 ARG A 5 4.019 -7.070 -15.222 1.00 0.00 H new ATOM 0 HG3 ARG A 5 5.192 -5.844 -14.788 1.00 0.00 H new ATOM 0 HD2 ARG A 5 6.688 -7.553 -13.812 1.00 0.00 H new ATOM 0 HD3 ARG A 5 5.490 -8.803 -14.084 1.00 0.00 H new ATOM 0 HE ARG A 5 6.118 -7.462 -16.562 1.00 0.00 H new ATOM 0 HH11 ARG A 5 7.495 -9.855 -14.314 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.436 -10.639 -15.588 1.00 0.00 H new ATOM 0 HH21 ARG A 5 7.268 -8.457 -18.130 1.00 0.00 H new ATOM 0 HH22 ARG A 5 8.305 -9.840 -17.765 1.00 0.00 H new ATOM 101 N ILE A 6 1.592 -5.520 -15.057 1.00 0.00 N ATOM 102 CA ILE A 6 0.416 -5.755 -15.887 1.00 0.00 C ATOM 103 C ILE A 6 0.920 -5.874 -17.319 1.00 0.00 C ATOM 104 O ILE A 6 1.835 -5.149 -17.710 1.00 0.00 O ATOM 105 CB ILE A 6 -0.596 -4.589 -15.728 1.00 0.00 C ATOM 106 CG1 ILE A 6 -1.116 -4.466 -14.280 1.00 0.00 C ATOM 107 CG2 ILE A 6 -1.782 -4.723 -16.704 1.00 0.00 C ATOM 108 CD1 ILE A 6 -1.877 -3.166 -14.010 1.00 0.00 C ATOM 0 H ILE A 6 2.247 -4.853 -15.464 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.112 -6.663 -15.594 1.00 0.00 H new ATOM 0 HB ILE A 6 -0.050 -3.677 -15.972 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.770 -5.311 -14.065 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -0.272 -4.533 -13.593 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -2.467 -3.888 -16.561 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -1.412 -4.717 -17.729 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -2.306 -5.659 -16.513 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.212 -3.149 -12.973 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.220 -2.315 -14.193 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.741 -3.106 -14.672 1.00 0.00 H new ATOM 120 N ILE A 7 0.291 -6.740 -18.111 1.00 0.00 N ATOM 121 CA ILE A 7 0.492 -6.830 -19.546 1.00 0.00 C ATOM 122 C ILE A 7 -0.901 -6.909 -20.177 1.00 0.00 C ATOM 123 O ILE A 7 -1.776 -7.605 -19.656 1.00 0.00 O ATOM 124 CB ILE A 7 1.399 -8.023 -19.955 1.00 0.00 C ATOM 125 CG1 ILE A 7 1.727 -9.092 -18.877 1.00 0.00 C ATOM 126 CG2 ILE A 7 2.691 -7.498 -20.588 1.00 0.00 C ATOM 127 CD1 ILE A 7 2.938 -8.788 -17.976 1.00 0.00 C ATOM 0 H ILE A 7 -0.389 -7.413 -17.758 1.00 0.00 H new ATOM 0 HA ILE A 7 1.029 -5.953 -19.908 1.00 0.00 H new ATOM 0 HB ILE A 7 0.784 -8.575 -20.666 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.850 -9.222 -18.243 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.901 -10.044 -19.378 1.00 0.00 H new ATOM 0 HG21 ILE A 7 3.324 -8.338 -20.873 1.00 0.00 H new ATOM 0 HG22 ILE A 7 2.449 -6.909 -21.473 1.00 0.00 H new ATOM 0 HG23 ILE A 7 3.220 -6.873 -19.869 1.00 0.00 H new ATOM 0 HD11 ILE A 7 3.073 -9.600 -17.262 1.00 0.00 H new ATOM 0 HD12 ILE A 7 3.833 -8.692 -18.590 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.766 -7.856 -17.437 1.00 0.00 H new ATOM 139 N VAL A 8 -1.118 -6.167 -21.262 1.00 0.00 N ATOM 140 CA VAL A 8 -2.426 -5.972 -21.886 1.00 0.00 C ATOM 141 C VAL A 8 -2.285 -5.919 -23.408 1.00 0.00 C ATOM 142 O VAL A 8 -1.237 -5.522 -23.926 1.00 0.00 O ATOM 143 CB VAL A 8 -3.083 -4.675 -21.353 1.00 0.00 C ATOM 144 CG1 VAL A 8 -3.733 -4.889 -19.987 1.00 0.00 C ATOM 145 CG2 VAL A 8 -2.131 -3.471 -21.251 1.00 0.00 C ATOM 0 H VAL A 8 -0.368 -5.671 -21.744 1.00 0.00 H new ATOM 0 HA VAL A 8 -3.068 -6.815 -21.630 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.836 -4.437 -22.104 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.183 -3.956 -19.648 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.504 -5.655 -20.067 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.977 -5.209 -19.270 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.676 -2.608 -20.869 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -1.312 -3.711 -20.574 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -1.730 -3.240 -22.238 1.00 0.00 H new ATOM 155 N ASP A 9 -3.356 -6.246 -24.130 1.00 0.00 N ATOM 156 CA ASP A 9 -3.468 -6.040 -25.572 1.00 0.00 C ATOM 157 C ASP A 9 -4.920 -5.705 -25.914 1.00 0.00 C ATOM 158 O ASP A 9 -5.829 -5.982 -25.129 1.00 0.00 O ATOM 159 CB ASP A 9 -2.967 -7.269 -26.344 1.00 0.00 C ATOM 160 CG ASP A 9 -3.099 -7.098 -27.867 1.00 0.00 C ATOM 161 OD1 ASP A 9 -2.755 -6.015 -28.390 1.00 0.00 O ATOM 162 OD2 ASP A 9 -3.559 -8.045 -28.543 1.00 0.00 O ATOM 0 H ASP A 9 -4.187 -6.671 -23.719 1.00 0.00 H new ATOM 0 HA ASP A 9 -2.836 -5.205 -25.873 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -1.923 -7.453 -26.091 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -3.531 -8.147 -26.029 1.00 0.00 H new ATOM 167 N GLY A 10 -5.137 -5.048 -27.051 1.00 0.00 N ATOM 168 CA GLY A 10 -6.398 -4.476 -27.477 1.00 0.00 C ATOM 169 C GLY A 10 -6.066 -3.234 -28.288 1.00 0.00 C ATOM 170 O GLY A 10 -4.982 -3.137 -28.871 1.00 0.00 O ATOM 0 H GLY A 10 -4.393 -4.896 -27.732 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.963 -5.190 -28.077 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.017 -4.222 -26.617 1.00 0.00 H new ATOM 174 N ARG A 11 -6.936 -2.227 -28.242 1.00 0.00 N ATOM 175 CA ARG A 11 -6.573 -0.859 -28.607 1.00 0.00 C ATOM 176 C ARG A 11 -5.776 -0.247 -27.447 1.00 0.00 C ATOM 177 O ARG A 11 -6.172 0.771 -26.885 1.00 0.00 O ATOM 178 CB ARG A 11 -7.847 -0.069 -28.976 1.00 0.00 C ATOM 179 CG ARG A 11 -7.566 1.265 -29.687 1.00 0.00 C ATOM 180 CD ARG A 11 -8.889 1.953 -30.041 1.00 0.00 C ATOM 181 NE ARG A 11 -8.681 3.132 -30.902 1.00 0.00 N ATOM 182 CZ ARG A 11 -9.383 4.272 -30.875 1.00 0.00 C ATOM 183 NH1 ARG A 11 -10.243 4.529 -29.892 1.00 0.00 N ATOM 184 NH2 ARG A 11 -9.219 5.164 -31.848 1.00 0.00 N ATOM 0 H ARG A 11 -7.908 -2.335 -27.952 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.935 -0.830 -29.490 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.473 -0.688 -29.619 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -8.417 0.127 -28.068 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.970 1.912 -29.044 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.983 1.090 -30.591 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -9.543 1.244 -30.548 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -9.397 2.257 -29.126 1.00 0.00 H new ATOM 0 HE ARG A 11 -7.927 3.073 -31.587 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -10.377 3.852 -29.141 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -10.768 5.403 -29.890 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.563 4.977 -32.606 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.749 6.035 -31.836 1.00 0.00 H new ATOM 198 N VAL A 12 -4.699 -0.909 -27.020 1.00 0.00 N ATOM 199 CA VAL A 12 -3.811 -0.428 -25.963 1.00 0.00 C ATOM 200 C VAL A 12 -2.882 0.675 -26.479 1.00 0.00 C ATOM 201 O VAL A 12 -2.271 1.386 -25.687 1.00 0.00 O ATOM 202 CB VAL A 12 -3.023 -1.600 -25.341 1.00 0.00 C ATOM 203 CG1 VAL A 12 -3.977 -2.475 -24.527 1.00 0.00 C ATOM 204 CG2 VAL A 12 -2.274 -2.471 -26.366 1.00 0.00 C ATOM 0 H VAL A 12 -4.416 -1.809 -27.406 1.00 0.00 H new ATOM 0 HA VAL A 12 -4.422 0.014 -25.176 1.00 0.00 H new ATOM 0 HB VAL A 12 -2.257 -1.153 -24.707 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -3.424 -3.304 -24.086 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.431 -1.879 -23.735 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.758 -2.866 -25.179 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -1.746 -3.271 -25.847 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.988 -2.903 -27.068 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.557 -1.857 -26.910 1.00 0.00 H new ATOM 214 N GLN A 13 -2.790 0.842 -27.798 1.00 0.00 N ATOM 215 CA GLN A 13 -2.162 1.966 -28.468 1.00 0.00 C ATOM 216 C GLN A 13 -3.177 2.422 -29.526 1.00 0.00 C ATOM 217 O GLN A 13 -4.042 1.645 -29.944 1.00 0.00 O ATOM 218 CB GLN A 13 -0.803 1.545 -29.079 1.00 0.00 C ATOM 219 CG GLN A 13 0.404 2.371 -28.592 1.00 0.00 C ATOM 220 CD GLN A 13 1.083 1.826 -27.334 1.00 0.00 C ATOM 221 OE1 GLN A 13 2.244 1.421 -27.355 1.00 0.00 O ATOM 222 NE2 GLN A 13 0.422 1.806 -26.195 1.00 0.00 N ATOM 0 H GLN A 13 -3.172 0.161 -28.454 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.926 2.785 -27.788 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -0.625 0.495 -28.847 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -0.867 1.625 -30.164 1.00 0.00 H new ATOM 0 HG2 GLN A 13 1.141 2.421 -29.394 1.00 0.00 H new ATOM 0 HG3 GLN A 13 0.074 3.392 -28.398 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -0.542 2.138 -26.159 1.00 0.00 H new ATOM 0 HE22 GLN A 13 0.874 1.459 -25.349 1.00 0.00 H new ATOM 281 N ARG A 18 0.420 5.050 -25.437 1.00 0.00 N ATOM 282 CA ARG A 18 0.466 4.522 -24.067 1.00 0.00 C ATOM 283 C ARG A 18 0.279 5.644 -23.035 1.00 0.00 C ATOM 284 O ARG A 18 0.239 5.365 -21.840 1.00 0.00 O ATOM 285 CB ARG A 18 1.723 3.652 -23.805 1.00 0.00 C ATOM 286 CG ARG A 18 2.975 3.920 -24.662 1.00 0.00 C ATOM 287 CD ARG A 18 4.039 2.837 -24.409 1.00 0.00 C ATOM 288 NE ARG A 18 5.335 3.155 -25.038 1.00 0.00 N ATOM 289 CZ ARG A 18 5.678 3.010 -26.325 1.00 0.00 C ATOM 290 NH1 ARG A 18 4.828 2.552 -27.241 1.00 0.00 N ATOM 291 NH2 ARG A 18 6.913 3.334 -26.683 1.00 0.00 N ATOM 0 HA ARG A 18 -0.378 3.843 -23.949 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.002 3.773 -22.758 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.442 2.608 -23.941 1.00 0.00 H new ATOM 0 HG2 ARG A 18 2.705 3.934 -25.718 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.383 4.902 -24.424 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.181 2.716 -23.335 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.678 1.882 -24.792 1.00 0.00 H new ATOM 0 HE ARG A 18 6.055 3.529 -24.420 1.00 0.00 H new ATOM 0 HH11 ARG A 18 3.877 2.297 -26.973 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.127 2.456 -28.211 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.571 3.682 -25.986 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.205 3.235 -27.655 1.00 0.00 H new ATOM 305 N TYR A 19 0.122 6.902 -23.461 1.00 0.00 N ATOM 306 CA TYR A 19 -0.109 8.028 -22.560 1.00 0.00 C ATOM 307 C TYR A 19 -1.390 7.832 -21.741 1.00 0.00 C ATOM 308 O TYR A 19 -1.413 8.197 -20.565 1.00 0.00 O ATOM 309 CB TYR A 19 -0.152 9.335 -23.364 1.00 0.00 C ATOM 310 CG TYR A 19 -0.286 10.585 -22.514 1.00 0.00 C ATOM 311 CD1 TYR A 19 0.853 11.150 -21.908 1.00 0.00 C ATOM 312 CD2 TYR A 19 -1.548 11.184 -22.329 1.00 0.00 C ATOM 313 CE1 TYR A 19 0.735 12.308 -21.120 1.00 0.00 C ATOM 314 CE2 TYR A 19 -1.669 12.351 -21.552 1.00 0.00 C ATOM 315 CZ TYR A 19 -0.528 12.917 -20.938 1.00 0.00 C ATOM 316 OH TYR A 19 -0.628 14.042 -20.177 1.00 0.00 O ATOM 0 H TYR A 19 0.152 7.165 -24.446 1.00 0.00 H new ATOM 0 HA TYR A 19 0.717 8.083 -21.850 1.00 0.00 H new ATOM 0 HB2 TYR A 19 0.757 9.411 -23.961 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -0.989 9.292 -24.061 1.00 0.00 H new ATOM 0 HD1 TYR A 19 1.821 10.692 -22.049 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -2.424 10.747 -22.784 1.00 0.00 H new ATOM 0 HE1 TYR A 19 1.611 12.733 -20.653 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -2.636 12.815 -21.424 1.00 0.00 H new ATOM 0 HH TYR A 19 -1.562 14.338 -20.151 1.00 0.00 H new ATOM 326 N PHE A 20 -2.431 7.206 -22.313 1.00 0.00 N ATOM 327 CA PHE A 20 -3.675 6.954 -21.587 1.00 0.00 C ATOM 328 C PHE A 20 -3.414 6.208 -20.285 1.00 0.00 C ATOM 329 O PHE A 20 -4.041 6.503 -19.271 1.00 0.00 O ATOM 330 CB PHE A 20 -4.717 6.199 -22.442 1.00 0.00 C ATOM 331 CG PHE A 20 -4.764 4.683 -22.256 1.00 0.00 C ATOM 332 CD1 PHE A 20 -5.566 4.112 -21.243 1.00 0.00 C ATOM 333 CD2 PHE A 20 -3.992 3.838 -23.076 1.00 0.00 C ATOM 334 CE1 PHE A 20 -5.640 2.714 -21.080 1.00 0.00 C ATOM 335 CE2 PHE A 20 -4.065 2.442 -22.916 1.00 0.00 C ATOM 336 CZ PHE A 20 -4.896 1.878 -21.931 1.00 0.00 C ATOM 0 H PHE A 20 -2.431 6.867 -23.275 1.00 0.00 H new ATOM 0 HA PHE A 20 -4.096 7.931 -21.351 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -5.704 6.604 -22.217 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -4.518 6.410 -23.493 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.130 4.756 -20.584 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.343 4.262 -23.828 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -6.263 2.288 -20.308 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.478 1.798 -23.555 1.00 0.00 H new ATOM 0 HZ PHE A 20 -4.962 0.805 -21.829 1.00 0.00 H new ATOM 346 N VAL A 21 -2.463 5.274 -20.302 1.00 0.00 N ATOM 347 CA VAL A 21 -2.125 4.480 -19.142 1.00 0.00 C ATOM 348 C VAL A 21 -1.673 5.425 -18.031 1.00 0.00 C ATOM 349 O VAL A 21 -2.160 5.330 -16.907 1.00 0.00 O ATOM 350 CB VAL A 21 -1.050 3.445 -19.525 1.00 0.00 C ATOM 351 CG1 VAL A 21 -0.820 2.484 -18.368 1.00 0.00 C ATOM 352 CG2 VAL A 21 -1.476 2.615 -20.749 1.00 0.00 C ATOM 0 H VAL A 21 -1.908 5.053 -21.129 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.985 3.919 -18.776 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.140 3.997 -19.761 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.059 1.755 -18.646 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.486 3.041 -17.493 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.750 1.966 -18.135 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.694 1.895 -20.991 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.401 2.084 -20.524 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -1.635 3.277 -21.600 1.00 0.00 H new ATOM 362 N GLN A 22 -0.822 6.402 -18.349 1.00 0.00 N ATOM 363 CA GLN A 22 -0.321 7.318 -17.343 1.00 0.00 C ATOM 364 C GLN A 22 -1.333 8.412 -16.991 1.00 0.00 C ATOM 365 O GLN A 22 -1.248 8.961 -15.892 1.00 0.00 O ATOM 366 CB GLN A 22 1.062 7.850 -17.736 1.00 0.00 C ATOM 367 CG GLN A 22 2.114 6.774 -18.107 1.00 0.00 C ATOM 368 CD GLN A 22 2.318 5.612 -17.110 1.00 0.00 C ATOM 369 OE1 GLN A 22 1.403 5.089 -16.489 1.00 0.00 O ATOM 370 NE2 GLN A 22 3.536 5.129 -16.941 1.00 0.00 N ATOM 0 H GLN A 22 -0.471 6.573 -19.292 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.187 6.764 -16.414 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.944 8.525 -18.584 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.452 8.443 -16.909 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.835 6.347 -19.070 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.073 7.273 -18.245 1.00 0.00 H new ATOM 0 HE21 GLN A 22 4.322 5.541 -17.443 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.690 4.344 -16.308 1.00 0.00 H new ATOM 379 N MET A 23 -2.338 8.673 -17.837 1.00 0.00 N ATOM 380 CA MET A 23 -3.487 9.482 -17.410 1.00 0.00 C ATOM 381 C MET A 23 -4.224 8.758 -16.281 1.00 0.00 C ATOM 382 O MET A 23 -4.507 9.344 -15.237 1.00 0.00 O ATOM 383 CB MET A 23 -4.494 9.759 -18.537 1.00 0.00 C ATOM 384 CG MET A 23 -3.944 10.545 -19.728 1.00 0.00 C ATOM 385 SD MET A 23 -5.237 11.259 -20.794 1.00 0.00 S ATOM 386 CE MET A 23 -6.121 9.785 -21.390 1.00 0.00 C ATOM 0 H MET A 23 -2.380 8.344 -18.801 1.00 0.00 H new ATOM 0 HA MET A 23 -3.084 10.441 -17.084 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.880 8.806 -18.899 1.00 0.00 H new ATOM 0 HB3 MET A 23 -5.339 10.307 -18.120 1.00 0.00 H new ATOM 0 HG2 MET A 23 -3.306 11.348 -19.359 1.00 0.00 H new ATOM 0 HG3 MET A 23 -3.314 9.887 -20.327 1.00 0.00 H new ATOM 0 HE1 MET A 23 -7.098 10.077 -21.774 1.00 0.00 H new ATOM 0 HE2 MET A 23 -5.545 9.312 -22.185 1.00 0.00 H new ATOM 0 HE3 MET A 23 -6.250 9.081 -20.568 1.00 0.00 H new ATOM 396 N GLU A 24 -4.519 7.471 -16.472 1.00 0.00 N ATOM 397 CA GLU A 24 -5.259 6.680 -15.501 1.00 0.00 C ATOM 398 C GLU A 24 -4.405 6.435 -14.246 1.00 0.00 C ATOM 399 O GLU A 24 -4.950 6.369 -13.143 1.00 0.00 O ATOM 400 CB GLU A 24 -5.757 5.380 -16.161 1.00 0.00 C ATOM 401 CG GLU A 24 -6.723 5.619 -17.345 1.00 0.00 C ATOM 402 CD GLU A 24 -8.020 6.322 -16.922 1.00 0.00 C ATOM 403 OE1 GLU A 24 -8.058 7.571 -16.865 1.00 0.00 O ATOM 404 OE2 GLU A 24 -9.012 5.630 -16.605 1.00 0.00 O ATOM 0 H GLU A 24 -4.249 6.952 -17.307 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.141 7.227 -15.168 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.898 4.809 -16.513 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.259 4.770 -15.410 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.220 6.220 -18.103 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.968 4.663 -17.807 1.00 0.00 H new ATOM 411 N ALA A 25 -3.076 6.373 -14.389 1.00 0.00 N ATOM 412 CA ALA A 25 -2.144 6.304 -13.272 1.00 0.00 C ATOM 413 C ALA A 25 -2.212 7.584 -12.442 1.00 0.00 C ATOM 414 O ALA A 25 -2.351 7.506 -11.222 1.00 0.00 O ATOM 415 CB ALA A 25 -0.720 6.085 -13.790 1.00 0.00 C ATOM 0 H ALA A 25 -2.617 6.370 -15.300 1.00 0.00 H new ATOM 0 HA ALA A 25 -2.422 5.463 -12.636 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.030 6.035 -12.948 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.676 5.151 -14.351 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.438 6.913 -14.441 1.00 0.00 H new ATOM 421 N ASP A 26 -2.154 8.755 -13.086 1.00 0.00 N ATOM 422 CA ASP A 26 -2.265 10.049 -12.413 1.00 0.00 C ATOM 423 C ASP A 26 -3.605 10.169 -11.690 1.00 0.00 C ATOM 424 O ASP A 26 -3.651 10.586 -10.536 1.00 0.00 O ATOM 425 CB ASP A 26 -2.111 11.199 -13.414 1.00 0.00 C ATOM 426 CG ASP A 26 -2.339 12.554 -12.726 1.00 0.00 C ATOM 427 OD1 ASP A 26 -1.496 12.962 -11.898 1.00 0.00 O ATOM 428 OD2 ASP A 26 -3.358 13.218 -13.018 1.00 0.00 O ATOM 0 H ASP A 26 -2.028 8.829 -14.095 1.00 0.00 H new ATOM 0 HA ASP A 26 -1.461 10.113 -11.679 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -1.114 11.173 -13.855 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -2.824 11.075 -14.230 1.00 0.00 H new ATOM 433 N LYS A 27 -4.687 9.704 -12.319 1.00 0.00 N ATOM 434 CA LYS A 27 -6.024 9.643 -11.731 1.00 0.00 C ATOM 435 C LYS A 27 -6.078 8.780 -10.455 1.00 0.00 C ATOM 436 O LYS A 27 -7.006 8.941 -9.659 1.00 0.00 O ATOM 437 CB LYS A 27 -6.994 9.224 -12.855 1.00 0.00 C ATOM 438 CG LYS A 27 -8.469 9.024 -12.467 1.00 0.00 C ATOM 439 CD LYS A 27 -8.812 7.552 -12.171 1.00 0.00 C ATOM 440 CE LYS A 27 -8.820 6.635 -13.403 1.00 0.00 C ATOM 441 NZ LYS A 27 -9.903 6.961 -14.365 1.00 0.00 N ATOM 0 H LYS A 27 -4.655 9.351 -13.275 1.00 0.00 H new ATOM 0 HA LYS A 27 -6.334 10.619 -11.357 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.950 9.979 -13.640 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -6.629 8.293 -13.288 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.695 9.629 -11.589 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -9.105 9.386 -13.275 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -8.093 7.163 -11.450 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.793 7.510 -11.697 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.858 6.709 -13.910 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.930 5.601 -13.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -9.846 6.320 -15.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -10.826 6.848 -13.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -9.796 7.944 -14.688 1.00 0.00 H new ATOM 455 N ARG A 28 -5.097 7.904 -10.197 1.00 0.00 N ATOM 456 CA ARG A 28 -4.963 7.171 -8.930 1.00 0.00 C ATOM 457 C ARG A 28 -3.662 7.518 -8.188 1.00 0.00 C ATOM 458 O ARG A 28 -3.289 6.796 -7.265 1.00 0.00 O ATOM 459 CB ARG A 28 -5.130 5.652 -9.155 1.00 0.00 C ATOM 460 CG ARG A 28 -6.467 5.165 -9.741 1.00 0.00 C ATOM 461 CD ARG A 28 -7.754 5.678 -9.069 1.00 0.00 C ATOM 462 NE ARG A 28 -7.779 5.527 -7.598 1.00 0.00 N ATOM 463 CZ ARG A 28 -7.964 6.515 -6.706 1.00 0.00 C ATOM 464 NH1 ARG A 28 -7.998 7.796 -7.084 1.00 0.00 N ATOM 465 NH2 ARG A 28 -8.113 6.218 -5.420 1.00 0.00 N ATOM 0 H ARG A 28 -4.365 7.682 -10.871 1.00 0.00 H new ATOM 0 HA ARG A 28 -5.771 7.495 -8.274 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -4.331 5.320 -9.818 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.979 5.151 -8.199 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.499 5.448 -10.793 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.476 4.076 -9.703 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -7.883 6.732 -9.316 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.606 5.146 -9.491 1.00 0.00 H new ATOM 0 HE ARG A 28 -7.643 4.587 -7.226 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -7.882 8.041 -8.067 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -8.140 8.529 -6.389 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.087 5.245 -5.115 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -8.254 6.963 -4.738 1.00 0.00 H new ATOM 479 N LYS A 29 -2.977 8.614 -8.547 1.00 0.00 N ATOM 480 CA LYS A 29 -1.682 9.036 -7.988 1.00 0.00 C ATOM 481 C LYS A 29 -0.662 7.884 -7.911 1.00 0.00 C ATOM 482 O LYS A 29 0.151 7.830 -6.985 1.00 0.00 O ATOM 483 CB LYS A 29 -1.887 9.758 -6.635 1.00 0.00 C ATOM 484 CG LYS A 29 -2.794 11.006 -6.628 1.00 0.00 C ATOM 485 CD LYS A 29 -2.151 12.299 -7.161 1.00 0.00 C ATOM 486 CE LYS A 29 -2.137 12.374 -8.693 1.00 0.00 C ATOM 487 NZ LYS A 29 -1.543 13.626 -9.212 1.00 0.00 N ATOM 0 H LYS A 29 -3.322 9.255 -9.261 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.239 9.755 -8.678 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -2.299 9.038 -5.928 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -0.907 10.051 -6.257 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.682 10.791 -7.223 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.130 11.183 -5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.694 13.158 -6.766 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.129 12.370 -6.790 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.578 11.525 -9.086 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.158 12.283 -9.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.454 13.565 -10.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.155 14.430 -8.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.602 13.764 -8.791 1.00 0.00 H new ATOM 501 N LEU A 30 -0.699 6.956 -8.870 1.00 0.00 N ATOM 502 CA LEU A 30 0.303 5.900 -9.000 1.00 0.00 C ATOM 503 C LEU A 30 1.600 6.486 -9.559 1.00 0.00 C ATOM 504 O LEU A 30 1.596 7.571 -10.147 1.00 0.00 O ATOM 505 CB LEU A 30 -0.223 4.788 -9.923 1.00 0.00 C ATOM 506 CG LEU A 30 -1.386 3.970 -9.337 1.00 0.00 C ATOM 507 CD1 LEU A 30 -1.786 2.898 -10.347 1.00 0.00 C ATOM 508 CD2 LEU A 30 -1.024 3.290 -8.016 1.00 0.00 C ATOM 0 H LEU A 30 -1.429 6.917 -9.581 1.00 0.00 H new ATOM 0 HA LEU A 30 0.504 5.471 -8.018 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.548 5.236 -10.862 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.598 4.111 -10.160 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.206 4.660 -9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.611 2.309 -9.945 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.099 3.373 -11.277 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.935 2.245 -10.541 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.882 2.727 -7.649 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -0.186 2.611 -8.174 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.745 4.046 -7.282 1.00 0.00 H new ATOM 520 N ALA A 31 2.703 5.744 -9.422 1.00 0.00 N ATOM 521 CA ALA A 31 4.012 6.119 -9.943 1.00 0.00 C ATOM 522 C ALA A 31 4.704 4.863 -10.471 1.00 0.00 C ATOM 523 O ALA A 31 4.749 3.856 -9.766 1.00 0.00 O ATOM 524 CB ALA A 31 4.835 6.767 -8.822 1.00 0.00 C ATOM 0 H ALA A 31 2.706 4.848 -8.935 1.00 0.00 H new ATOM 0 HA ALA A 31 3.912 6.838 -10.756 1.00 0.00 H new ATOM 0 HB1 ALA A 31 5.815 7.049 -9.207 1.00 0.00 H new ATOM 0 HB2 ALA A 31 4.318 7.655 -8.458 1.00 0.00 H new ATOM 0 HB3 ALA A 31 4.957 6.058 -8.004 1.00 0.00 H new ATOM 530 N GLY A 32 5.227 4.905 -11.697 1.00 0.00 N ATOM 531 CA GLY A 32 5.746 3.734 -12.393 1.00 0.00 C ATOM 532 C GLY A 32 6.104 4.054 -13.839 1.00 0.00 C ATOM 533 O GLY A 32 6.290 5.224 -14.187 1.00 0.00 O ATOM 0 H GLY A 32 5.302 5.766 -12.239 1.00 0.00 H new ATOM 0 HA2 GLY A 32 6.629 3.362 -11.873 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.003 2.937 -12.369 1.00 0.00 H new ATOM 537 N TRP A 33 6.164 3.041 -14.703 1.00 0.00 N ATOM 538 CA TRP A 33 6.378 3.228 -16.133 1.00 0.00 C ATOM 539 C TRP A 33 5.458 2.338 -16.973 1.00 0.00 C ATOM 540 O TRP A 33 4.890 1.358 -16.478 1.00 0.00 O ATOM 541 CB TRP A 33 7.861 3.039 -16.486 1.00 0.00 C ATOM 542 CG TRP A 33 8.472 1.701 -16.194 1.00 0.00 C ATOM 543 CD1 TRP A 33 8.249 0.559 -16.884 1.00 0.00 C ATOM 544 CD2 TRP A 33 9.454 1.353 -15.168 1.00 0.00 C ATOM 545 NE1 TRP A 33 9.020 -0.462 -16.366 1.00 0.00 N ATOM 546 CE2 TRP A 33 9.803 -0.023 -15.320 1.00 0.00 C ATOM 547 CE3 TRP A 33 10.103 2.067 -14.137 1.00 0.00 C ATOM 548 CZ2 TRP A 33 10.761 -0.649 -14.506 1.00 0.00 C ATOM 549 CZ3 TRP A 33 11.054 1.447 -13.305 1.00 0.00 C ATOM 550 CH2 TRP A 33 11.387 0.092 -13.489 1.00 0.00 C ATOM 0 H TRP A 33 6.065 2.064 -14.427 1.00 0.00 H new ATOM 0 HA TRP A 33 6.110 4.255 -16.383 1.00 0.00 H new ATOM 0 HB2 TRP A 33 7.983 3.240 -17.550 1.00 0.00 H new ATOM 0 HB3 TRP A 33 8.434 3.796 -15.951 1.00 0.00 H new ATOM 0 HD1 TRP A 33 7.568 0.461 -17.717 1.00 0.00 H new ATOM 0 HE1 TRP A 33 9.011 -1.421 -16.714 1.00 0.00 H new ATOM 0 HE3 TRP A 33 9.865 3.109 -13.984 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 11.014 -1.688 -14.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 11.531 2.015 -12.520 1.00 0.00 H new ATOM 0 HH2 TRP A 33 12.121 -0.377 -12.851 1.00 0.00 H new ATOM 561 N VAL A 34 5.336 2.686 -18.259 1.00 0.00 N ATOM 562 CA VAL A 34 4.617 1.911 -19.271 1.00 0.00 C ATOM 563 C VAL A 34 5.524 1.740 -20.493 1.00 0.00 C ATOM 564 O VAL A 34 6.370 2.592 -20.774 1.00 0.00 O ATOM 565 CB VAL A 34 3.251 2.565 -19.575 1.00 0.00 C ATOM 566 CG1 VAL A 34 3.372 3.951 -20.218 1.00 0.00 C ATOM 567 CG2 VAL A 34 2.378 1.687 -20.480 1.00 0.00 C ATOM 0 H VAL A 34 5.748 3.541 -18.633 1.00 0.00 H new ATOM 0 HA VAL A 34 4.380 0.910 -18.910 1.00 0.00 H new ATOM 0 HB VAL A 34 2.778 2.675 -18.599 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.376 4.353 -20.405 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.913 4.618 -19.546 1.00 0.00 H new ATOM 0 HG13 VAL A 34 3.913 3.869 -21.161 1.00 0.00 H new ATOM 0 HG21 VAL A 34 1.428 2.188 -20.666 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.891 1.518 -21.427 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.194 0.730 -19.991 1.00 0.00 H new ATOM 577 N LYS A 35 5.363 0.628 -21.209 1.00 0.00 N ATOM 578 CA LYS A 35 6.253 0.151 -22.264 1.00 0.00 C ATOM 579 C LYS A 35 5.406 -0.614 -23.283 1.00 0.00 C ATOM 580 O LYS A 35 4.292 -1.033 -22.969 1.00 0.00 O ATOM 581 CB LYS A 35 7.290 -0.755 -21.569 1.00 0.00 C ATOM 582 CG LYS A 35 8.399 -1.332 -22.468 1.00 0.00 C ATOM 583 CD LYS A 35 9.358 -2.246 -21.691 1.00 0.00 C ATOM 584 CE LYS A 35 8.605 -3.494 -21.205 1.00 0.00 C ATOM 585 NZ LYS A 35 9.462 -4.467 -20.490 1.00 0.00 N ATOM 0 H LYS A 35 4.569 0.005 -21.061 1.00 0.00 H new ATOM 0 HA LYS A 35 6.769 0.950 -22.797 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.760 -0.185 -20.768 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.761 -1.586 -21.102 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.947 -1.894 -23.285 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.963 -0.514 -22.917 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.193 -2.538 -22.328 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.778 -1.709 -20.841 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.794 -3.184 -20.545 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.147 -3.988 -22.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.882 -5.266 -20.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 10.201 -4.817 -21.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.906 -4.003 -19.672 1.00 0.00 H new ATOM 599 N ASN A 36 5.931 -0.844 -24.484 1.00 0.00 N ATOM 600 CA ASN A 36 5.345 -1.738 -25.485 1.00 0.00 C ATOM 601 C ASN A 36 6.387 -2.824 -25.752 1.00 0.00 C ATOM 602 O ASN A 36 7.565 -2.495 -25.915 1.00 0.00 O ATOM 603 CB ASN A 36 4.992 -0.926 -26.739 1.00 0.00 C ATOM 604 CG ASN A 36 4.216 -1.741 -27.771 1.00 0.00 C ATOM 605 OD1 ASN A 36 4.656 -2.793 -28.219 1.00 0.00 O ATOM 606 ND2 ASN A 36 3.053 -1.261 -28.180 1.00 0.00 N ATOM 0 H ASN A 36 6.796 -0.404 -24.798 1.00 0.00 H new ATOM 0 HA ASN A 36 4.419 -2.204 -25.150 1.00 0.00 H new ATOM 0 HB2 ASN A 36 4.401 -0.057 -26.449 1.00 0.00 H new ATOM 0 HB3 ASN A 36 5.909 -0.551 -27.194 1.00 0.00 H new ATOM 0 HD21 ASN A 36 2.509 -1.768 -28.878 1.00 0.00 H new ATOM 0 HD22 ASN A 36 2.700 -0.384 -27.797 1.00 0.00 H new ATOM 613 N ARG A 37 5.992 -4.101 -25.728 1.00 0.00 N ATOM 614 CA ARG A 37 6.911 -5.240 -25.698 1.00 0.00 C ATOM 615 C ARG A 37 6.683 -6.139 -26.911 1.00 0.00 C ATOM 616 O ARG A 37 5.561 -6.260 -27.408 1.00 0.00 O ATOM 617 CB ARG A 37 6.818 -5.986 -24.345 1.00 0.00 C ATOM 618 CG ARG A 37 5.480 -6.679 -24.050 1.00 0.00 C ATOM 619 CD ARG A 37 5.533 -7.562 -22.790 1.00 0.00 C ATOM 620 NE ARG A 37 6.408 -8.739 -22.959 1.00 0.00 N ATOM 621 CZ ARG A 37 7.565 -8.994 -22.329 1.00 0.00 C ATOM 622 NH1 ARG A 37 8.053 -8.178 -21.398 1.00 0.00 N ATOM 623 NH2 ARG A 37 8.247 -10.091 -22.645 1.00 0.00 N ATOM 0 H ARG A 37 5.009 -4.375 -25.729 1.00 0.00 H new ATOM 0 HA ARG A 37 7.938 -4.881 -25.771 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.608 -6.736 -24.311 1.00 0.00 H new ATOM 0 HB3 ARG A 37 7.020 -5.274 -23.545 1.00 0.00 H new ATOM 0 HG2 ARG A 37 4.704 -5.924 -23.927 1.00 0.00 H new ATOM 0 HG3 ARG A 37 5.196 -7.291 -24.906 1.00 0.00 H new ATOM 0 HD2 ARG A 37 5.888 -6.967 -21.949 1.00 0.00 H new ATOM 0 HD3 ARG A 37 4.525 -7.895 -22.542 1.00 0.00 H new ATOM 0 HE ARG A 37 6.097 -9.439 -23.632 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.545 -7.331 -21.145 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.935 -8.400 -20.937 1.00 0.00 H new ATOM 0 HH21 ARG A 37 7.889 -10.726 -23.358 1.00 0.00 H new ATOM 0 HH22 ARG A 37 9.128 -10.297 -22.174 1.00 0.00 H new ATOM 637 N ASP A 38 7.758 -6.795 -27.357 1.00 0.00 N ATOM 638 CA ASP A 38 7.837 -7.542 -28.619 1.00 0.00 C ATOM 639 C ASP A 38 6.861 -8.721 -28.694 1.00 0.00 C ATOM 640 O ASP A 38 6.512 -9.174 -29.785 1.00 0.00 O ATOM 641 CB ASP A 38 9.275 -8.041 -28.815 1.00 0.00 C ATOM 642 CG ASP A 38 9.447 -8.811 -30.135 1.00 0.00 C ATOM 643 OD1 ASP A 38 9.402 -8.184 -31.218 1.00 0.00 O ATOM 644 OD2 ASP A 38 9.685 -10.040 -30.098 1.00 0.00 O ATOM 0 H ASP A 38 8.631 -6.822 -26.830 1.00 0.00 H new ATOM 0 HA ASP A 38 7.549 -6.857 -29.417 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.958 -7.192 -28.800 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.551 -8.686 -27.981 1.00 0.00 H new ATOM 649 N ASP A 39 6.368 -9.185 -27.542 1.00 0.00 N ATOM 650 CA ASP A 39 5.314 -10.200 -27.433 1.00 0.00 C ATOM 651 C ASP A 39 3.992 -9.759 -28.089 1.00 0.00 C ATOM 652 O ASP A 39 3.126 -10.594 -28.356 1.00 0.00 O ATOM 653 CB ASP A 39 5.096 -10.523 -25.949 1.00 0.00 C ATOM 654 CG ASP A 39 4.010 -11.587 -25.724 1.00 0.00 C ATOM 655 OD1 ASP A 39 4.208 -12.758 -26.122 1.00 0.00 O ATOM 656 OD2 ASP A 39 2.986 -11.260 -25.085 1.00 0.00 O ATOM 0 H ASP A 39 6.699 -8.857 -26.635 1.00 0.00 H new ATOM 0 HA ASP A 39 5.640 -11.088 -27.974 1.00 0.00 H new ATOM 0 HB2 ASP A 39 6.034 -10.871 -25.516 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.820 -9.611 -25.420 1.00 0.00 H new ATOM 661 N GLY A 40 3.833 -8.463 -28.384 1.00 0.00 N ATOM 662 CA GLY A 40 2.625 -7.899 -28.976 1.00 0.00 C ATOM 663 C GLY A 40 1.694 -7.424 -27.868 1.00 0.00 C ATOM 664 O GLY A 40 0.508 -7.754 -27.863 1.00 0.00 O ATOM 0 H GLY A 40 4.559 -7.767 -28.212 1.00 0.00 H new ATOM 0 HA2 GLY A 40 2.882 -7.067 -29.632 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.125 -8.647 -29.591 1.00 0.00 H new ATOM 668 N ARG A 41 2.254 -6.715 -26.883 1.00 0.00 N ATOM 669 CA ARG A 41 1.610 -6.366 -25.622 1.00 0.00 C ATOM 670 C ARG A 41 2.079 -4.967 -25.248 1.00 0.00 C ATOM 671 O ARG A 41 3.201 -4.580 -25.576 1.00 0.00 O ATOM 672 CB ARG A 41 2.057 -7.380 -24.537 1.00 0.00 C ATOM 673 CG ARG A 41 0.961 -8.233 -23.887 1.00 0.00 C ATOM 674 CD ARG A 41 0.274 -9.203 -24.851 1.00 0.00 C ATOM 675 NE ARG A 41 -0.695 -10.048 -24.136 1.00 0.00 N ATOM 676 CZ ARG A 41 -0.478 -11.246 -23.582 1.00 0.00 C ATOM 677 NH1 ARG A 41 0.699 -11.861 -23.672 1.00 0.00 N ATOM 678 NH2 ARG A 41 -1.477 -11.820 -22.923 1.00 0.00 N ATOM 0 H ARG A 41 3.207 -6.356 -26.949 1.00 0.00 H new ATOM 0 HA ARG A 41 0.524 -6.393 -25.706 1.00 0.00 H new ATOM 0 HB2 ARG A 41 2.790 -8.053 -24.983 1.00 0.00 H new ATOM 0 HB3 ARG A 41 2.569 -6.829 -23.749 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.397 -8.801 -23.065 1.00 0.00 H new ATOM 0 HG3 ARG A 41 0.209 -7.573 -23.455 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -0.234 -8.644 -25.637 1.00 0.00 H new ATOM 0 HD3 ARG A 41 1.021 -9.830 -25.338 1.00 0.00 H new ATOM 0 HE ARG A 41 -1.642 -9.678 -24.053 1.00 0.00 H new ATOM 0 HH11 ARG A 41 1.468 -11.419 -24.175 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.832 -12.774 -23.238 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.378 -11.348 -22.850 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -1.344 -12.733 -22.489 1.00 0.00 H new ATOM 692 N VAL A 42 1.270 -4.242 -24.493 1.00 0.00 N ATOM 693 CA VAL A 42 1.734 -3.129 -23.679 1.00 0.00 C ATOM 694 C VAL A 42 1.967 -3.709 -22.287 1.00 0.00 C ATOM 695 O VAL A 42 1.281 -4.648 -21.882 1.00 0.00 O ATOM 696 CB VAL A 42 0.692 -1.999 -23.746 1.00 0.00 C ATOM 697 CG1 VAL A 42 0.811 -0.946 -22.634 1.00 0.00 C ATOM 698 CG2 VAL A 42 0.807 -1.302 -25.109 1.00 0.00 C ATOM 0 H VAL A 42 0.266 -4.410 -24.427 1.00 0.00 H new ATOM 0 HA VAL A 42 2.665 -2.676 -24.020 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.279 -2.473 -23.605 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.036 -0.191 -22.764 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.690 -1.427 -21.663 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.791 -0.472 -22.685 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.073 -0.498 -25.170 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.809 -0.888 -25.223 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.621 -2.024 -25.904 1.00 0.00 H new ATOM 708 N GLU A 43 2.937 -3.164 -21.560 1.00 0.00 N ATOM 709 CA GLU A 43 3.356 -3.635 -20.252 1.00 0.00 C ATOM 710 C GLU A 43 3.463 -2.421 -19.336 1.00 0.00 C ATOM 711 O GLU A 43 3.872 -1.345 -19.777 1.00 0.00 O ATOM 712 CB GLU A 43 4.686 -4.392 -20.398 1.00 0.00 C ATOM 713 CG GLU A 43 5.206 -4.926 -19.054 1.00 0.00 C ATOM 714 CD GLU A 43 6.268 -6.021 -19.213 1.00 0.00 C ATOM 715 OE1 GLU A 43 7.144 -5.921 -20.103 1.00 0.00 O ATOM 716 OE2 GLU A 43 6.238 -6.995 -18.431 1.00 0.00 O ATOM 0 H GLU A 43 3.469 -2.355 -21.880 1.00 0.00 H new ATOM 0 HA GLU A 43 2.640 -4.331 -19.815 1.00 0.00 H new ATOM 0 HB2 GLU A 43 4.554 -5.224 -21.090 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.432 -3.729 -20.836 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.627 -4.100 -18.480 1.00 0.00 H new ATOM 0 HG3 GLU A 43 4.369 -5.321 -18.478 1.00 0.00 H new ATOM 723 N ILE A 44 3.078 -2.581 -18.072 1.00 0.00 N ATOM 724 CA ILE A 44 2.926 -1.509 -17.107 1.00 0.00 C ATOM 725 C ILE A 44 3.499 -2.034 -15.791 1.00 0.00 C ATOM 726 O ILE A 44 3.277 -3.201 -15.449 1.00 0.00 O ATOM 727 CB ILE A 44 1.428 -1.145 -16.916 1.00 0.00 C ATOM 728 CG1 ILE A 44 0.501 -1.381 -18.140 1.00 0.00 C ATOM 729 CG2 ILE A 44 1.346 0.312 -16.425 1.00 0.00 C ATOM 730 CD1 ILE A 44 -0.993 -1.200 -17.836 1.00 0.00 C ATOM 0 H ILE A 44 2.856 -3.498 -17.683 1.00 0.00 H new ATOM 0 HA ILE A 44 3.440 -0.609 -17.445 1.00 0.00 H new ATOM 0 HB ILE A 44 1.036 -1.844 -16.177 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.785 -0.693 -18.936 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.665 -2.390 -18.518 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.302 0.590 -16.284 1.00 0.00 H new ATOM 0 HG22 ILE A 44 1.878 0.407 -15.479 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.800 0.971 -17.165 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.573 -1.382 -18.741 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.295 -1.907 -17.063 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -1.173 -0.183 -17.488 1.00 0.00 H new ATOM 742 N LEU A 45 4.193 -1.190 -15.028 1.00 0.00 N ATOM 743 CA LEU A 45 4.703 -1.560 -13.709 1.00 0.00 C ATOM 744 C LEU A 45 4.741 -0.293 -12.864 1.00 0.00 C ATOM 745 O LEU A 45 5.284 0.710 -13.326 1.00 0.00 O ATOM 746 CB LEU A 45 6.083 -2.218 -13.874 1.00 0.00 C ATOM 747 CG LEU A 45 6.771 -2.535 -12.528 1.00 0.00 C ATOM 748 CD1 LEU A 45 7.336 -3.960 -12.522 1.00 0.00 C ATOM 749 CD2 LEU A 45 7.918 -1.554 -12.276 1.00 0.00 C ATOM 0 H LEU A 45 4.417 -0.234 -15.306 1.00 0.00 H new ATOM 0 HA LEU A 45 4.067 -2.288 -13.205 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.973 -3.140 -14.444 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.726 -1.558 -14.457 1.00 0.00 H new ATOM 0 HG LEU A 45 6.020 -2.442 -11.743 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.815 -4.157 -11.563 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.526 -4.673 -12.677 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.069 -4.064 -13.322 1.00 0.00 H new ATOM 0 HD21 LEU A 45 8.395 -1.788 -11.324 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.651 -1.637 -13.079 1.00 0.00 H new ATOM 0 HD23 LEU A 45 7.527 -0.537 -12.245 1.00 0.00 H new ATOM 761 N ALA A 46 4.120 -0.311 -11.682 1.00 0.00 N ATOM 762 CA ALA A 46 3.986 0.862 -10.827 1.00 0.00 C ATOM 763 C ALA A 46 3.812 0.454 -9.368 1.00 0.00 C ATOM 764 O ALA A 46 3.296 -0.631 -9.082 1.00 0.00 O ATOM 765 CB ALA A 46 2.755 1.677 -11.253 1.00 0.00 C ATOM 0 H ALA A 46 3.693 -1.151 -11.291 1.00 0.00 H new ATOM 0 HA ALA A 46 4.892 1.459 -10.929 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.659 2.553 -10.611 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.871 1.997 -12.289 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.861 1.060 -11.162 1.00 0.00 H new ATOM 771 N GLU A 47 4.150 1.374 -8.465 1.00 0.00 N ATOM 772 CA GLU A 47 3.923 1.278 -7.032 1.00 0.00 C ATOM 773 C GLU A 47 2.724 2.150 -6.634 1.00 0.00 C ATOM 774 O GLU A 47 2.389 3.119 -7.329 1.00 0.00 O ATOM 775 CB GLU A 47 5.192 1.665 -6.250 1.00 0.00 C ATOM 776 CG GLU A 47 5.685 3.107 -6.470 1.00 0.00 C ATOM 777 CD GLU A 47 6.714 3.508 -5.401 1.00 0.00 C ATOM 778 OE1 GLU A 47 7.908 3.171 -5.568 1.00 0.00 O ATOM 779 OE2 GLU A 47 6.324 4.139 -4.391 1.00 0.00 O ATOM 0 H GLU A 47 4.610 2.245 -8.730 1.00 0.00 H new ATOM 0 HA GLU A 47 3.691 0.244 -6.777 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.002 1.522 -5.186 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.993 0.979 -6.526 1.00 0.00 H new ATOM 0 HG2 GLU A 47 6.132 3.195 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.838 3.793 -6.440 1.00 0.00 H new ATOM 786 N GLY A 48 2.092 1.830 -5.502 1.00 0.00 N ATOM 787 CA GLY A 48 0.983 2.593 -4.943 1.00 0.00 C ATOM 788 C GLY A 48 0.299 1.847 -3.797 1.00 0.00 C ATOM 789 O GLY A 48 0.742 0.756 -3.427 1.00 0.00 O ATOM 0 H GLY A 48 2.345 1.017 -4.941 1.00 0.00 H new ATOM 0 HA2 GLY A 48 1.349 3.555 -4.583 1.00 0.00 H new ATOM 0 HA3 GLY A 48 0.254 2.802 -5.726 1.00 0.00 H new ATOM 793 N PRO A 49 -0.751 2.428 -3.193 1.00 0.00 N ATOM 794 CA PRO A 49 -1.598 1.721 -2.242 1.00 0.00 C ATOM 795 C PRO A 49 -2.537 0.750 -2.971 1.00 0.00 C ATOM 796 O PRO A 49 -2.790 0.889 -4.171 1.00 0.00 O ATOM 797 CB PRO A 49 -2.351 2.818 -1.485 1.00 0.00 C ATOM 798 CG PRO A 49 -2.460 3.947 -2.509 1.00 0.00 C ATOM 799 CD PRO A 49 -1.179 3.814 -3.335 1.00 0.00 C ATOM 0 HA PRO A 49 -1.028 1.100 -1.551 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -3.333 2.478 -1.157 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.809 3.135 -0.594 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.349 3.840 -3.130 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.525 4.921 -2.025 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -1.362 4.061 -4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -0.410 4.498 -2.976 1.00 0.00 H new ATOM 807 N GLU A 50 -3.090 -0.218 -2.232 1.00 0.00 N ATOM 808 CA GLU A 50 -3.909 -1.297 -2.787 1.00 0.00 C ATOM 809 C GLU A 50 -5.094 -0.739 -3.579 1.00 0.00 C ATOM 810 O GLU A 50 -5.323 -1.159 -4.712 1.00 0.00 O ATOM 811 CB GLU A 50 -4.399 -2.204 -1.644 1.00 0.00 C ATOM 812 CG GLU A 50 -5.033 -3.504 -2.163 1.00 0.00 C ATOM 813 CD GLU A 50 -5.532 -4.385 -1.003 1.00 0.00 C ATOM 814 OE1 GLU A 50 -6.706 -4.247 -0.590 1.00 0.00 O ATOM 815 OE2 GLU A 50 -4.765 -5.237 -0.499 1.00 0.00 O ATOM 0 H GLU A 50 -2.979 -0.273 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.301 -1.882 -3.477 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.561 -2.447 -0.991 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.127 -1.663 -1.040 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.865 -3.266 -2.826 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.303 -4.057 -2.754 1.00 0.00 H new ATOM 822 N ASN A 51 -5.817 0.234 -3.009 1.00 0.00 N ATOM 823 CA ASN A 51 -6.980 0.831 -3.663 1.00 0.00 C ATOM 824 C ASN A 51 -6.588 1.489 -4.980 1.00 0.00 C ATOM 825 O ASN A 51 -7.305 1.334 -5.966 1.00 0.00 O ATOM 826 CB ASN A 51 -7.653 1.878 -2.759 1.00 0.00 C ATOM 827 CG ASN A 51 -8.707 2.667 -3.539 1.00 0.00 C ATOM 828 OD1 ASN A 51 -8.418 3.721 -4.102 1.00 0.00 O ATOM 829 ND2 ASN A 51 -9.927 2.166 -3.624 1.00 0.00 N ATOM 0 H ASN A 51 -5.611 0.624 -2.089 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.686 0.024 -3.859 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.118 1.384 -1.906 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.901 2.560 -2.361 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -10.643 2.655 -4.162 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.153 1.291 -3.152 1.00 0.00 H new ATOM 836 N ALA A 52 -5.470 2.217 -5.005 1.00 0.00 N ATOM 837 CA ALA A 52 -5.033 2.908 -6.209 1.00 0.00 C ATOM 838 C ALA A 52 -4.719 1.891 -7.300 1.00 0.00 C ATOM 839 O ALA A 52 -5.194 2.029 -8.426 1.00 0.00 O ATOM 840 CB ALA A 52 -3.805 3.763 -5.895 1.00 0.00 C ATOM 0 H ALA A 52 -4.853 2.340 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 52 -5.829 3.562 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -3.480 4.279 -6.799 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.058 4.496 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -3.000 3.124 -5.533 1.00 0.00 H new ATOM 846 N LEU A 53 -3.952 0.856 -6.950 1.00 0.00 N ATOM 847 CA LEU A 53 -3.517 -0.172 -7.888 1.00 0.00 C ATOM 848 C LEU A 53 -4.724 -0.931 -8.438 1.00 0.00 C ATOM 849 O LEU A 53 -4.844 -1.107 -9.647 1.00 0.00 O ATOM 850 CB LEU A 53 -2.524 -1.116 -7.190 1.00 0.00 C ATOM 851 CG LEU A 53 -1.185 -0.442 -6.821 1.00 0.00 C ATOM 852 CD1 LEU A 53 -0.445 -1.318 -5.818 1.00 0.00 C ATOM 853 CD2 LEU A 53 -0.256 -0.208 -8.015 1.00 0.00 C ATOM 0 H LEU A 53 -3.614 0.710 -5.999 1.00 0.00 H new ATOM 0 HA LEU A 53 -3.010 0.293 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.985 -1.509 -6.284 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.325 -1.967 -7.842 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.441 0.535 -6.411 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.502 -0.848 -5.553 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.054 -1.439 -4.922 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.253 -2.295 -6.261 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.663 0.269 -7.673 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.017 -1.163 -8.483 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.751 0.437 -8.740 1.00 0.00 H new ATOM 865 N GLN A 54 -5.642 -1.349 -7.570 1.00 0.00 N ATOM 866 CA GLN A 54 -6.817 -2.114 -7.964 1.00 0.00 C ATOM 867 C GLN A 54 -7.795 -1.274 -8.785 1.00 0.00 C ATOM 868 O GLN A 54 -8.282 -1.741 -9.815 1.00 0.00 O ATOM 869 CB GLN A 54 -7.492 -2.718 -6.720 1.00 0.00 C ATOM 870 CG GLN A 54 -6.716 -3.932 -6.171 1.00 0.00 C ATOM 871 CD GLN A 54 -6.742 -5.138 -7.122 1.00 0.00 C ATOM 872 OE1 GLN A 54 -7.755 -5.440 -7.750 1.00 0.00 O ATOM 873 NE2 GLN A 54 -5.642 -5.859 -7.273 1.00 0.00 N ATOM 0 H GLN A 54 -5.589 -1.164 -6.568 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.492 -2.929 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -7.569 -1.956 -5.944 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -8.508 -3.021 -6.971 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -5.681 -3.643 -5.988 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.140 -4.224 -5.210 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.797 -5.615 -6.756 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -5.639 -6.658 -7.907 1.00 0.00 H new ATOM 882 N SER A 55 -8.056 -0.029 -8.384 1.00 0.00 N ATOM 883 CA SER A 55 -8.944 0.857 -9.137 1.00 0.00 C ATOM 884 C SER A 55 -8.362 1.130 -10.526 1.00 0.00 C ATOM 885 O SER A 55 -9.096 1.139 -11.514 1.00 0.00 O ATOM 886 CB SER A 55 -9.174 2.175 -8.390 1.00 0.00 C ATOM 887 OG SER A 55 -9.658 1.948 -7.080 1.00 0.00 O ATOM 0 H SER A 55 -7.664 0.389 -7.540 1.00 0.00 H new ATOM 0 HA SER A 55 -9.907 0.359 -9.246 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.241 2.736 -8.343 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.887 2.788 -8.942 1.00 0.00 H new ATOM 0 HG SER A 55 -8.902 1.840 -6.466 1.00 0.00 H new ATOM 893 N PHE A 56 -7.040 1.301 -10.617 1.00 0.00 N ATOM 894 CA PHE A 56 -6.345 1.423 -11.882 1.00 0.00 C ATOM 895 C PHE A 56 -6.548 0.164 -12.726 1.00 0.00 C ATOM 896 O PHE A 56 -6.929 0.293 -13.885 1.00 0.00 O ATOM 897 CB PHE A 56 -4.865 1.710 -11.622 1.00 0.00 C ATOM 898 CG PHE A 56 -4.011 1.679 -12.866 1.00 0.00 C ATOM 899 CD1 PHE A 56 -3.541 0.449 -13.367 1.00 0.00 C ATOM 900 CD2 PHE A 56 -3.687 2.877 -13.526 1.00 0.00 C ATOM 901 CE1 PHE A 56 -2.759 0.419 -14.530 1.00 0.00 C ATOM 902 CE2 PHE A 56 -2.883 2.843 -14.673 1.00 0.00 C ATOM 903 CZ PHE A 56 -2.422 1.617 -15.174 1.00 0.00 C ATOM 0 H PHE A 56 -6.426 1.358 -9.804 1.00 0.00 H new ATOM 0 HA PHE A 56 -6.756 2.257 -12.451 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -4.771 2.689 -11.153 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -4.482 0.978 -10.911 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -3.783 -0.471 -12.855 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -4.056 3.820 -13.151 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -2.417 -0.525 -14.929 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -2.618 3.763 -15.172 1.00 0.00 H new ATOM 0 HZ PHE A 56 -1.805 1.596 -16.060 1.00 0.00 H new ATOM 913 N VAL A 57 -6.342 -1.040 -12.177 1.00 0.00 N ATOM 914 CA VAL A 57 -6.523 -2.286 -12.924 1.00 0.00 C ATOM 915 C VAL A 57 -7.941 -2.333 -13.506 1.00 0.00 C ATOM 916 O VAL A 57 -8.100 -2.618 -14.693 1.00 0.00 O ATOM 917 CB VAL A 57 -6.208 -3.500 -12.014 1.00 0.00 C ATOM 918 CG1 VAL A 57 -6.686 -4.840 -12.593 1.00 0.00 C ATOM 919 CG2 VAL A 57 -4.701 -3.628 -11.748 1.00 0.00 C ATOM 0 H VAL A 57 -6.047 -1.175 -11.210 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.826 -2.329 -13.761 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.753 -3.299 -11.091 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.432 -5.645 -11.904 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.766 -4.810 -12.735 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.199 -5.016 -13.552 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.517 -4.490 -11.107 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.175 -3.760 -12.693 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.341 -2.725 -11.255 1.00 0.00 H new ATOM 929 N GLU A 58 -8.960 -1.997 -12.709 1.00 0.00 N ATOM 930 CA GLU A 58 -10.340 -1.964 -13.173 1.00 0.00 C ATOM 931 C GLU A 58 -10.525 -0.926 -14.283 1.00 0.00 C ATOM 932 O GLU A 58 -11.247 -1.180 -15.243 1.00 0.00 O ATOM 933 CB GLU A 58 -11.294 -1.683 -12.001 1.00 0.00 C ATOM 934 CG GLU A 58 -11.352 -2.827 -10.978 1.00 0.00 C ATOM 935 CD GLU A 58 -12.034 -4.087 -11.539 1.00 0.00 C ATOM 936 OE1 GLU A 58 -13.277 -4.202 -11.440 1.00 0.00 O ATOM 937 OE2 GLU A 58 -11.331 -4.977 -12.068 1.00 0.00 O ATOM 0 H GLU A 58 -8.846 -1.742 -11.728 1.00 0.00 H new ATOM 0 HA GLU A 58 -10.581 -2.942 -13.589 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -10.980 -0.769 -11.497 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.296 -1.503 -12.392 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.340 -3.077 -10.660 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.891 -2.491 -10.092 1.00 0.00 H new ATOM 944 N ALA A 59 -9.854 0.222 -14.186 1.00 0.00 N ATOM 945 CA ALA A 59 -9.910 1.274 -15.193 1.00 0.00 C ATOM 946 C ALA A 59 -9.302 0.818 -16.529 1.00 0.00 C ATOM 947 O ALA A 59 -9.917 1.034 -17.576 1.00 0.00 O ATOM 948 CB ALA A 59 -9.225 2.540 -14.666 1.00 0.00 C ATOM 0 H ALA A 59 -9.250 0.447 -13.395 1.00 0.00 H new ATOM 0 HA ALA A 59 -10.957 1.503 -15.390 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -9.271 3.321 -15.425 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -9.733 2.880 -13.764 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -8.183 2.320 -14.435 1.00 0.00 H new ATOM 954 N VAL A 60 -8.136 0.153 -16.515 1.00 0.00 N ATOM 955 CA VAL A 60 -7.548 -0.419 -17.732 1.00 0.00 C ATOM 956 C VAL A 60 -8.528 -1.460 -18.291 1.00 0.00 C ATOM 957 O VAL A 60 -8.905 -1.385 -19.460 1.00 0.00 O ATOM 958 CB VAL A 60 -6.158 -1.053 -17.468 1.00 0.00 C ATOM 959 CG1 VAL A 60 -5.497 -1.465 -18.793 1.00 0.00 C ATOM 960 CG2 VAL A 60 -5.172 -0.120 -16.753 1.00 0.00 C ATOM 0 H VAL A 60 -7.583 -0.001 -15.672 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.385 0.378 -18.458 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.359 -1.908 -16.822 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.522 -1.908 -18.591 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.128 -2.193 -19.303 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.372 -0.586 -19.426 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.224 -0.637 -16.605 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.009 0.771 -17.360 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.582 0.170 -15.786 1.00 0.00 H new ATOM 970 N LYS A 61 -8.985 -2.395 -17.447 1.00 0.00 N ATOM 971 CA LYS A 61 -9.876 -3.492 -17.830 1.00 0.00 C ATOM 972 C LYS A 61 -11.158 -2.966 -18.477 1.00 0.00 C ATOM 973 O LYS A 61 -11.611 -3.517 -19.480 1.00 0.00 O ATOM 974 CB LYS A 61 -10.170 -4.328 -16.573 1.00 0.00 C ATOM 975 CG LYS A 61 -10.956 -5.619 -16.849 1.00 0.00 C ATOM 976 CD LYS A 61 -11.354 -6.328 -15.543 1.00 0.00 C ATOM 977 CE LYS A 61 -10.143 -6.836 -14.743 1.00 0.00 C ATOM 978 NZ LYS A 61 -10.532 -7.274 -13.382 1.00 0.00 N ATOM 0 H LYS A 61 -8.738 -2.407 -16.457 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.395 -4.120 -18.580 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -9.226 -4.585 -16.092 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -10.732 -3.717 -15.866 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -11.852 -5.385 -17.424 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -10.352 -6.290 -17.459 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -11.929 -5.640 -14.923 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -12.007 -7.169 -15.777 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.678 -7.667 -15.274 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -9.396 -6.045 -14.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -9.700 -7.657 -12.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.906 -6.463 -12.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.263 -8.010 -13.450 1.00 0.00 H new ATOM 992 N ASN A 62 -11.732 -1.895 -17.923 1.00 0.00 N ATOM 993 CA ASN A 62 -12.941 -1.269 -18.445 1.00 0.00 C ATOM 994 C ASN A 62 -12.697 -0.593 -19.797 1.00 0.00 C ATOM 995 O ASN A 62 -13.640 -0.448 -20.574 1.00 0.00 O ATOM 996 CB ASN A 62 -13.473 -0.232 -17.445 1.00 0.00 C ATOM 997 CG ASN A 62 -14.783 0.383 -17.931 1.00 0.00 C ATOM 998 OD1 ASN A 62 -15.788 -0.308 -18.079 1.00 0.00 O ATOM 999 ND2 ASN A 62 -14.812 1.679 -18.183 1.00 0.00 N ATOM 0 H ASN A 62 -11.363 -1.436 -17.090 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.678 -2.058 -18.590 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -13.628 -0.705 -16.475 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.731 0.553 -17.302 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -15.675 2.117 -18.504 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -13.971 2.242 -18.056 1.00 0.00 H new ATOM 1006 N GLY A 63 -11.456 -0.182 -20.091 1.00 0.00 N ATOM 1007 CA GLY A 63 -11.145 0.604 -21.275 1.00 0.00 C ATOM 1008 C GLY A 63 -11.950 1.903 -21.289 1.00 0.00 C ATOM 1009 O GLY A 63 -12.629 2.194 -22.272 1.00 0.00 O ATOM 0 H GLY A 63 -10.644 -0.389 -19.509 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.079 0.831 -21.297 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.366 0.024 -22.171 1.00 0.00 H new ATOM 1013 N SER A 64 -11.950 2.630 -20.165 1.00 0.00 N ATOM 1014 CA SER A 64 -12.714 3.861 -19.993 1.00 0.00 C ATOM 1015 C SER A 64 -12.442 4.935 -21.073 1.00 0.00 C ATOM 1016 O SER A 64 -13.421 5.482 -21.590 1.00 0.00 O ATOM 1017 CB SER A 64 -12.489 4.405 -18.575 1.00 0.00 C ATOM 1018 OG SER A 64 -12.563 3.352 -17.622 1.00 0.00 O ATOM 0 H SER A 64 -11.409 2.371 -19.340 1.00 0.00 H new ATOM 0 HA SER A 64 -13.765 3.607 -20.127 1.00 0.00 H new ATOM 0 HB2 SER A 64 -11.515 4.890 -18.515 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.238 5.164 -18.347 1.00 0.00 H new ATOM 0 HG SER A 64 -12.416 3.713 -16.723 1.00 0.00 H new ATOM 1024 N PRO A 65 -11.183 5.270 -21.440 1.00 0.00 N ATOM 1025 CA PRO A 65 -10.902 6.249 -22.492 1.00 0.00 C ATOM 1026 C PRO A 65 -11.048 5.627 -23.896 1.00 0.00 C ATOM 1027 O PRO A 65 -11.601 4.540 -24.068 1.00 0.00 O ATOM 1028 CB PRO A 65 -9.482 6.747 -22.184 1.00 0.00 C ATOM 1029 CG PRO A 65 -8.803 5.518 -21.596 1.00 0.00 C ATOM 1030 CD PRO A 65 -9.930 4.813 -20.844 1.00 0.00 C ATOM 0 HA PRO A 65 -11.609 7.078 -22.502 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -8.974 7.097 -23.083 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -9.491 7.578 -21.479 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -8.381 4.882 -22.374 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.985 5.792 -20.929 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.834 3.731 -20.928 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.896 5.054 -19.782 1.00 0.00 H new ATOM 1038 N PHE A 66 -10.554 6.330 -24.920 1.00 0.00 N ATOM 1039 CA PHE A 66 -10.469 5.849 -26.302 1.00 0.00 C ATOM 1040 C PHE A 66 -9.728 4.508 -26.398 1.00 0.00 C ATOM 1041 O PHE A 66 -10.130 3.643 -27.181 1.00 0.00 O ATOM 1042 CB PHE A 66 -9.788 6.904 -27.203 1.00 0.00 C ATOM 1043 CG PHE A 66 -9.040 8.016 -26.475 1.00 0.00 C ATOM 1044 CD1 PHE A 66 -7.799 7.757 -25.859 1.00 0.00 C ATOM 1045 CD2 PHE A 66 -9.627 9.290 -26.348 1.00 0.00 C ATOM 1046 CE1 PHE A 66 -7.165 8.760 -25.103 1.00 0.00 C ATOM 1047 CE2 PHE A 66 -8.981 10.297 -25.609 1.00 0.00 C ATOM 1048 CZ PHE A 66 -7.752 10.032 -24.982 1.00 0.00 C ATOM 0 H PHE A 66 -10.192 7.277 -24.807 1.00 0.00 H new ATOM 0 HA PHE A 66 -11.488 5.687 -26.652 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.087 6.393 -27.863 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.549 7.359 -27.837 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.334 6.788 -25.967 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.577 9.494 -26.820 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.225 8.552 -24.614 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.430 11.275 -25.523 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.259 10.803 -24.409 1.00 0.00 H new ATOM 1058 N SER A 67 -8.644 4.341 -25.641 1.00 0.00 N ATOM 1059 CA SER A 67 -7.862 3.115 -25.612 1.00 0.00 C ATOM 1060 C SER A 67 -8.562 2.082 -24.720 1.00 0.00 C ATOM 1061 O SER A 67 -9.152 2.442 -23.697 1.00 0.00 O ATOM 1062 CB SER A 67 -6.464 3.438 -25.089 1.00 0.00 C ATOM 1063 OG SER A 67 -5.892 4.512 -25.828 1.00 0.00 O ATOM 0 H SER A 67 -8.283 5.067 -25.023 1.00 0.00 H new ATOM 0 HA SER A 67 -7.775 2.693 -26.613 1.00 0.00 H new ATOM 0 HB2 SER A 67 -6.516 3.703 -24.033 1.00 0.00 H new ATOM 0 HB3 SER A 67 -5.828 2.556 -25.166 1.00 0.00 H new ATOM 0 HG SER A 67 -5.069 4.810 -25.388 1.00 0.00 H new ATOM 1069 N LYS A 68 -8.501 0.800 -25.090 1.00 0.00 N ATOM 1070 CA LYS A 68 -9.245 -0.274 -24.426 1.00 0.00 C ATOM 1071 C LYS A 68 -8.556 -1.615 -24.643 1.00 0.00 C ATOM 1072 O LYS A 68 -7.749 -1.750 -25.562 1.00 0.00 O ATOM 1073 CB LYS A 68 -10.730 -0.266 -24.867 1.00 0.00 C ATOM 1074 CG LYS A 68 -11.037 -0.223 -26.377 1.00 0.00 C ATOM 1075 CD LYS A 68 -10.790 -1.516 -27.175 1.00 0.00 C ATOM 1076 CE LYS A 68 -11.601 -2.734 -26.695 1.00 0.00 C ATOM 1077 NZ LYS A 68 -13.067 -2.572 -26.881 1.00 0.00 N ATOM 0 H LYS A 68 -7.927 0.475 -25.868 1.00 0.00 H new ATOM 0 HA LYS A 68 -9.247 -0.100 -23.350 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -11.205 -1.156 -24.455 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -11.211 0.596 -24.404 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -12.082 0.059 -26.503 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -10.437 0.571 -26.823 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -11.025 -1.330 -28.223 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -9.729 -1.761 -27.125 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -11.268 -3.620 -27.236 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -11.392 -2.908 -25.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -13.556 -3.424 -26.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -13.396 -1.745 -26.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -13.276 -2.434 -27.890 1.00 0.00 H new ATOM 1091 N VAL A 69 -8.888 -2.615 -23.830 1.00 0.00 N ATOM 1092 CA VAL A 69 -8.258 -3.931 -23.877 1.00 0.00 C ATOM 1093 C VAL A 69 -9.218 -4.969 -24.459 1.00 0.00 C ATOM 1094 O VAL A 69 -10.439 -4.804 -24.404 1.00 0.00 O ATOM 1095 CB VAL A 69 -7.748 -4.344 -22.480 1.00 0.00 C ATOM 1096 CG1 VAL A 69 -6.653 -3.389 -21.995 1.00 0.00 C ATOM 1097 CG2 VAL A 69 -8.840 -4.429 -21.406 1.00 0.00 C ATOM 0 H VAL A 69 -9.609 -2.533 -23.113 1.00 0.00 H new ATOM 0 HA VAL A 69 -7.393 -3.878 -24.538 1.00 0.00 H new ATOM 0 HB VAL A 69 -7.353 -5.351 -22.615 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.309 -3.700 -21.009 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.817 -3.409 -22.694 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.053 -2.377 -21.937 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -8.394 -4.725 -20.456 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -9.317 -3.455 -21.295 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -9.585 -5.167 -21.703 1.00 0.00 H new ATOM 1107 N THR A 70 -8.652 -6.059 -24.963 1.00 0.00 N ATOM 1108 CA THR A 70 -9.333 -7.316 -25.252 1.00 0.00 C ATOM 1109 C THR A 70 -8.611 -8.483 -24.545 1.00 0.00 C ATOM 1110 O THR A 70 -9.095 -9.616 -24.567 1.00 0.00 O ATOM 1111 CB THR A 70 -9.439 -7.509 -26.780 1.00 0.00 C ATOM 1112 OG1 THR A 70 -8.187 -7.314 -27.416 1.00 0.00 O ATOM 1113 CG2 THR A 70 -10.418 -6.511 -27.410 1.00 0.00 C ATOM 0 H THR A 70 -7.659 -6.092 -25.192 1.00 0.00 H new ATOM 0 HA THR A 70 -10.350 -7.293 -24.860 1.00 0.00 H new ATOM 0 HB THR A 70 -9.789 -8.531 -26.926 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.287 -7.445 -28.382 1.00 0.00 H new ATOM 0 HG21 THR A 70 -10.466 -6.678 -28.486 1.00 0.00 H new ATOM 0 HG22 THR A 70 -11.409 -6.650 -26.977 1.00 0.00 H new ATOM 0 HG23 THR A 70 -10.077 -5.494 -27.215 1.00 0.00 H new ATOM 1121 N ASP A 71 -7.473 -8.217 -23.891 1.00 0.00 N ATOM 1122 CA ASP A 71 -6.634 -9.171 -23.175 1.00 0.00 C ATOM 1123 C ASP A 71 -5.940 -8.412 -22.043 1.00 0.00 C ATOM 1124 O ASP A 71 -5.506 -7.273 -22.240 1.00 0.00 O ATOM 1125 CB ASP A 71 -5.588 -9.740 -24.142 1.00 0.00 C ATOM 1126 CG ASP A 71 -4.399 -10.362 -23.399 1.00 0.00 C ATOM 1127 OD1 ASP A 71 -4.507 -11.502 -22.900 1.00 0.00 O ATOM 1128 OD2 ASP A 71 -3.326 -9.729 -23.336 1.00 0.00 O ATOM 0 H ASP A 71 -7.095 -7.270 -23.849 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.225 -9.994 -22.773 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.053 -10.494 -24.777 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.231 -8.946 -24.798 1.00 0.00 H new ATOM 1133 N ILE A 72 -5.851 -9.029 -20.863 1.00 0.00 N ATOM 1134 CA ILE A 72 -5.222 -8.455 -19.681 1.00 0.00 C ATOM 1135 C ILE A 72 -4.702 -9.597 -18.800 1.00 0.00 C ATOM 1136 O ILE A 72 -5.380 -10.618 -18.638 1.00 0.00 O ATOM 1137 CB ILE A 72 -6.215 -7.509 -18.945 1.00 0.00 C ATOM 1138 CG1 ILE A 72 -5.562 -6.895 -17.684 1.00 0.00 C ATOM 1139 CG2 ILE A 72 -7.566 -8.167 -18.597 1.00 0.00 C ATOM 1140 CD1 ILE A 72 -6.262 -5.627 -17.174 1.00 0.00 C ATOM 0 H ILE A 72 -6.225 -9.965 -20.703 1.00 0.00 H new ATOM 0 HA ILE A 72 -4.369 -7.835 -19.957 1.00 0.00 H new ATOM 0 HB ILE A 72 -6.445 -6.713 -19.654 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -5.559 -7.641 -16.889 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -4.521 -6.659 -17.904 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -8.202 -7.444 -18.086 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -8.056 -8.498 -19.513 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -7.396 -9.024 -17.946 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -5.745 -5.257 -16.288 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -6.242 -4.863 -17.951 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -7.296 -5.859 -16.920 1.00 0.00 H new ATOM 1152 N SER A 73 -3.526 -9.397 -18.207 1.00 0.00 N ATOM 1153 CA SER A 73 -2.908 -10.263 -17.216 1.00 0.00 C ATOM 1154 C SER A 73 -2.249 -9.355 -16.175 1.00 0.00 C ATOM 1155 O SER A 73 -1.715 -8.300 -16.526 1.00 0.00 O ATOM 1156 CB SER A 73 -1.864 -11.168 -17.888 1.00 0.00 C ATOM 1157 OG SER A 73 -2.441 -11.977 -18.903 1.00 0.00 O ATOM 0 H SER A 73 -2.952 -8.581 -18.420 1.00 0.00 H new ATOM 0 HA SER A 73 -3.647 -10.910 -16.743 1.00 0.00 H new ATOM 0 HB2 SER A 73 -1.074 -10.553 -18.319 1.00 0.00 H new ATOM 0 HB3 SER A 73 -1.398 -11.805 -17.136 1.00 0.00 H new ATOM 0 HG SER A 73 -1.747 -12.537 -19.309 1.00 0.00 H new ATOM 1163 N VAL A 74 -2.296 -9.751 -14.901 1.00 0.00 N ATOM 1164 CA VAL A 74 -1.875 -8.931 -13.769 1.00 0.00 C ATOM 1165 C VAL A 74 -1.098 -9.825 -12.799 1.00 0.00 C ATOM 1166 O VAL A 74 -1.456 -10.987 -12.584 1.00 0.00 O ATOM 1167 CB VAL A 74 -3.112 -8.291 -13.084 1.00 0.00 C ATOM 1168 CG1 VAL A 74 -2.725 -7.355 -11.924 1.00 0.00 C ATOM 1169 CG2 VAL A 74 -3.995 -7.510 -14.076 1.00 0.00 C ATOM 0 H VAL A 74 -2.636 -10.672 -14.624 1.00 0.00 H new ATOM 0 HA VAL A 74 -1.233 -8.116 -14.102 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.681 -9.132 -12.687 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.627 -6.934 -11.480 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -2.178 -7.919 -11.169 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.096 -6.549 -12.301 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.846 -7.082 -13.547 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.411 -6.710 -14.531 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.353 -8.185 -14.854 1.00 0.00 H new ATOM 1179 N THR A 75 -0.068 -9.253 -12.185 1.00 0.00 N ATOM 1180 CA THR A 75 0.650 -9.772 -11.032 1.00 0.00 C ATOM 1181 C THR A 75 0.706 -8.611 -10.031 1.00 0.00 C ATOM 1182 O THR A 75 0.697 -7.442 -10.432 1.00 0.00 O ATOM 1183 CB THR A 75 2.049 -10.253 -11.475 1.00 0.00 C ATOM 1184 OG1 THR A 75 1.963 -11.102 -12.608 1.00 0.00 O ATOM 1185 CG2 THR A 75 2.791 -11.024 -10.376 1.00 0.00 C ATOM 0 H THR A 75 0.309 -8.359 -12.501 1.00 0.00 H new ATOM 0 HA THR A 75 0.168 -10.635 -10.573 1.00 0.00 H new ATOM 0 HB THR A 75 2.604 -9.345 -11.710 1.00 0.00 H new ATOM 0 HG1 THR A 75 2.862 -11.391 -12.869 1.00 0.00 H new ATOM 0 HG21 THR A 75 3.767 -11.336 -10.746 1.00 0.00 H new ATOM 0 HG22 THR A 75 2.922 -10.381 -9.505 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.212 -11.903 -10.094 1.00 0.00 H new ATOM 1193 N GLU A 76 0.754 -8.901 -8.732 1.00 0.00 N ATOM 1194 CA GLU A 76 0.740 -7.890 -7.684 1.00 0.00 C ATOM 1195 C GLU A 76 1.780 -8.288 -6.633 1.00 0.00 C ATOM 1196 O GLU A 76 1.994 -9.479 -6.384 1.00 0.00 O ATOM 1197 CB GLU A 76 -0.681 -7.778 -7.108 1.00 0.00 C ATOM 1198 CG GLU A 76 -0.934 -6.407 -6.468 1.00 0.00 C ATOM 1199 CD GLU A 76 -2.210 -6.408 -5.617 1.00 0.00 C ATOM 1200 OE1 GLU A 76 -2.193 -7.077 -4.558 1.00 0.00 O ATOM 1201 OE2 GLU A 76 -3.193 -5.724 -5.979 1.00 0.00 O ATOM 0 H GLU A 76 0.804 -9.856 -8.377 1.00 0.00 H new ATOM 0 HA GLU A 76 1.004 -6.904 -8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.409 -7.948 -7.902 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.833 -8.560 -6.364 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -0.082 -6.132 -5.847 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.017 -5.650 -7.248 1.00 0.00 H new ATOM 1208 N SER A 77 2.430 -7.290 -6.036 1.00 0.00 N ATOM 1209 CA SER A 77 3.649 -7.437 -5.249 1.00 0.00 C ATOM 1210 C SER A 77 3.610 -6.465 -4.065 1.00 0.00 C ATOM 1211 O SER A 77 2.679 -5.661 -3.943 1.00 0.00 O ATOM 1212 CB SER A 77 4.863 -7.172 -6.161 1.00 0.00 C ATOM 1213 OG SER A 77 4.832 -7.980 -7.329 1.00 0.00 O ATOM 0 H SER A 77 2.109 -6.323 -6.090 1.00 0.00 H new ATOM 0 HA SER A 77 3.731 -8.448 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.880 -6.120 -6.447 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.782 -7.367 -5.608 1.00 0.00 H new ATOM 0 HG SER A 77 5.616 -7.784 -7.884 1.00 0.00 H new ATOM 1219 N ARG A 78 4.601 -6.529 -3.172 1.00 0.00 N ATOM 1220 CA ARG A 78 4.642 -5.766 -1.917 1.00 0.00 C ATOM 1221 C ARG A 78 5.984 -5.026 -1.812 1.00 0.00 C ATOM 1222 O ARG A 78 6.539 -4.885 -0.721 1.00 0.00 O ATOM 1223 CB ARG A 78 4.390 -6.700 -0.706 1.00 0.00 C ATOM 1224 CG ARG A 78 3.228 -7.709 -0.819 1.00 0.00 C ATOM 1225 CD ARG A 78 1.881 -6.993 -0.827 1.00 0.00 C ATOM 1226 NE ARG A 78 0.746 -7.892 -1.110 1.00 0.00 N ATOM 1227 CZ ARG A 78 -0.069 -7.810 -2.172 1.00 0.00 C ATOM 1228 NH1 ARG A 78 0.226 -7.066 -3.228 1.00 0.00 N ATOM 1229 NH2 ARG A 78 -1.225 -8.458 -2.205 1.00 0.00 N ATOM 0 H ARG A 78 5.417 -7.126 -3.303 1.00 0.00 H new ATOM 0 HA ARG A 78 3.847 -5.021 -1.912 1.00 0.00 H new ATOM 0 HB2 ARG A 78 5.306 -7.260 -0.516 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.211 -6.076 0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.338 -8.295 -1.732 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.267 -8.409 0.016 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.725 -6.515 0.140 1.00 0.00 H new ATOM 0 HD3 ARG A 78 1.903 -6.200 -1.574 1.00 0.00 H new ATOM 0 HE ARG A 78 0.566 -8.640 -0.441 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.096 -6.533 -3.250 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -0.416 -7.026 -4.019 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.510 -9.033 -1.412 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.829 -8.381 -3.023 1.00 0.00 H new ATOM 1243 N SER A 79 6.522 -4.596 -2.954 1.00 0.00 N ATOM 1244 CA SER A 79 7.891 -4.147 -3.110 1.00 0.00 C ATOM 1245 C SER A 79 7.884 -2.850 -3.914 1.00 0.00 C ATOM 1246 O SER A 79 7.615 -2.852 -5.115 1.00 0.00 O ATOM 1247 CB SER A 79 8.725 -5.251 -3.781 1.00 0.00 C ATOM 1248 OG SER A 79 8.576 -6.488 -3.096 1.00 0.00 O ATOM 0 H SER A 79 5.990 -4.552 -3.823 1.00 0.00 H new ATOM 0 HA SER A 79 8.351 -3.946 -2.143 1.00 0.00 H new ATOM 0 HB2 SER A 79 8.414 -5.366 -4.819 1.00 0.00 H new ATOM 0 HB3 SER A 79 9.776 -4.962 -3.793 1.00 0.00 H new ATOM 0 HG SER A 79 9.114 -7.175 -3.541 1.00 0.00 H new ATOM 1254 N LEU A 80 8.105 -1.729 -3.223 1.00 0.00 N ATOM 1255 CA LEU A 80 8.180 -0.400 -3.826 1.00 0.00 C ATOM 1256 C LEU A 80 9.399 -0.276 -4.746 1.00 0.00 C ATOM 1257 O LEU A 80 10.313 -1.104 -4.724 1.00 0.00 O ATOM 1258 CB LEU A 80 8.228 0.684 -2.732 1.00 0.00 C ATOM 1259 CG LEU A 80 7.083 0.620 -1.704 1.00 0.00 C ATOM 1260 CD1 LEU A 80 7.160 1.830 -0.767 1.00 0.00 C ATOM 1261 CD2 LEU A 80 5.703 0.568 -2.367 1.00 0.00 C ATOM 0 H LEU A 80 8.239 -1.721 -2.212 1.00 0.00 H new ATOM 0 HA LEU A 80 7.284 -0.256 -4.430 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.177 0.603 -2.202 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.213 1.663 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 80 7.207 -0.303 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.348 1.781 -0.041 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.116 1.824 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 80 7.071 2.747 -1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.931 0.524 -1.598 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.558 1.460 -2.976 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.636 -0.317 -2.999 1.00 0.00 H new ATOM 1273 N GLU A 81 9.430 0.806 -5.522 1.00 0.00 N ATOM 1274 CA GLU A 81 10.432 1.097 -6.543 1.00 0.00 C ATOM 1275 C GLU A 81 11.248 2.340 -6.157 1.00 0.00 C ATOM 1276 O GLU A 81 12.376 2.511 -6.624 1.00 0.00 O ATOM 1277 CB GLU A 81 9.703 1.363 -7.872 1.00 0.00 C ATOM 1278 CG GLU A 81 8.868 0.172 -8.360 1.00 0.00 C ATOM 1279 CD GLU A 81 7.877 0.523 -9.480 1.00 0.00 C ATOM 1280 OE1 GLU A 81 8.144 1.427 -10.303 1.00 0.00 O ATOM 1281 OE2 GLU A 81 6.834 -0.169 -9.526 1.00 0.00 O ATOM 0 H GLU A 81 8.723 1.538 -5.452 1.00 0.00 H new ATOM 0 HA GLU A 81 11.112 0.251 -6.637 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.052 2.229 -7.753 1.00 0.00 H new ATOM 0 HB3 GLU A 81 10.438 1.619 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 81 9.540 -0.609 -8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 81 8.316 -0.242 -7.516 1.00 0.00 H new ATOM 1288 N GLY A 82 10.683 3.212 -5.313 1.00 0.00 N ATOM 1289 CA GLY A 82 11.187 4.557 -5.072 1.00 0.00 C ATOM 1290 C GLY A 82 10.803 5.499 -6.217 1.00 0.00 C ATOM 1291 O GLY A 82 11.444 6.539 -6.391 1.00 0.00 O ATOM 0 H GLY A 82 9.847 2.992 -4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 82 10.785 4.937 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.272 4.530 -4.967 1.00 0.00 H new ATOM 1295 N HIS A 83 9.798 5.141 -7.026 1.00 0.00 N ATOM 1296 CA HIS A 83 9.354 5.948 -8.151 1.00 0.00 C ATOM 1297 C HIS A 83 8.391 7.010 -7.616 1.00 0.00 C ATOM 1298 O HIS A 83 7.546 6.721 -6.767 1.00 0.00 O ATOM 1299 CB HIS A 83 8.696 5.060 -9.223 1.00 0.00 C ATOM 1300 CG HIS A 83 9.077 5.443 -10.633 1.00 0.00 C ATOM 1301 ND1 HIS A 83 8.291 6.068 -11.574 1.00 0.00 N ATOM 1302 CD2 HIS A 83 10.276 5.168 -11.240 1.00 0.00 C ATOM 1303 CE1 HIS A 83 8.993 6.160 -12.714 1.00 0.00 C ATOM 1304 NE2 HIS A 83 10.221 5.633 -12.561 1.00 0.00 N ATOM 0 H HIS A 83 9.271 4.275 -6.911 1.00 0.00 H new ATOM 0 HA HIS A 83 10.199 6.440 -8.632 1.00 0.00 H new ATOM 0 HB2 HIS A 83 8.978 4.022 -9.047 1.00 0.00 H new ATOM 0 HB3 HIS A 83 7.613 5.119 -9.118 1.00 0.00 H new ATOM 0 HD1 HIS A 83 7.339 6.404 -11.430 1.00 0.00 H new ATOM 0 HD2 HIS A 83 11.119 4.676 -10.778 1.00 0.00 H new ATOM 0 HE1 HIS A 83 8.623 6.597 -13.629 1.00 0.00 H new ATOM 1312 N HIS A 84 8.503 8.231 -8.142 1.00 0.00 N ATOM 1313 CA HIS A 84 7.712 9.394 -7.732 1.00 0.00 C ATOM 1314 C HIS A 84 7.209 10.141 -8.979 1.00 0.00 C ATOM 1315 O HIS A 84 7.010 11.356 -8.958 1.00 0.00 O ATOM 1316 CB HIS A 84 8.566 10.284 -6.808 1.00 0.00 C ATOM 1317 CG HIS A 84 8.937 9.640 -5.491 1.00 0.00 C ATOM 1318 ND1 HIS A 84 10.010 8.809 -5.242 1.00 0.00 N ATOM 1319 CD2 HIS A 84 8.264 9.788 -4.306 1.00 0.00 C ATOM 1320 CE1 HIS A 84 9.979 8.464 -3.944 1.00 0.00 C ATOM 1321 NE2 HIS A 84 8.931 9.040 -3.324 1.00 0.00 N ATOM 0 H HIS A 84 9.166 8.445 -8.887 1.00 0.00 H new ATOM 0 HA HIS A 84 6.832 9.085 -7.168 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.480 10.561 -7.333 1.00 0.00 H new ATOM 0 HB3 HIS A 84 8.021 11.207 -6.607 1.00 0.00 H new ATOM 0 HD1 HIS A 84 10.706 8.509 -5.925 1.00 0.00 H new ATOM 0 HD2 HIS A 84 7.373 10.379 -4.154 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.696 7.814 -3.464 1.00 0.00 H new ATOM 1329 N ARG A 85 7.087 9.427 -10.100 1.00 0.00 N ATOM 1330 CA ARG A 85 6.805 9.936 -11.441 1.00 0.00 C ATOM 1331 C ARG A 85 6.004 8.863 -12.171 1.00 0.00 C ATOM 1332 O ARG A 85 6.006 7.706 -11.738 1.00 0.00 O ATOM 1333 CB ARG A 85 8.133 10.170 -12.198 1.00 0.00 C ATOM 1334 CG ARG A 85 9.116 11.160 -11.551 1.00 0.00 C ATOM 1335 CD ARG A 85 8.580 12.598 -11.552 1.00 0.00 C ATOM 1336 NE ARG A 85 9.560 13.546 -10.991 1.00 0.00 N ATOM 1337 CZ ARG A 85 9.612 13.998 -9.730 1.00 0.00 C ATOM 1338 NH1 ARG A 85 8.761 13.558 -8.805 1.00 0.00 N ATOM 1339 NH2 ARG A 85 10.529 14.900 -9.397 1.00 0.00 N ATOM 0 H ARG A 85 7.189 8.412 -10.093 1.00 0.00 H new ATOM 0 HA ARG A 85 6.256 10.876 -11.388 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.637 9.210 -12.311 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.898 10.526 -13.201 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.318 10.851 -10.525 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.065 11.128 -12.086 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.331 12.893 -12.571 1.00 0.00 H new ATOM 0 HD3 ARG A 85 7.658 12.643 -10.973 1.00 0.00 H new ATOM 0 HE ARG A 85 10.274 13.895 -11.630 1.00 0.00 H new ATOM 0 HH11 ARG A 85 8.054 12.865 -9.051 1.00 0.00 H new ATOM 0 HH12 ARG A 85 8.816 13.914 -7.851 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.186 15.243 -10.098 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.576 15.250 -8.440 1.00 0.00 H new ATOM 1353 N PHE A 86 5.414 9.194 -13.313 1.00 0.00 N ATOM 1354 CA PHE A 86 4.918 8.211 -14.266 1.00 0.00 C ATOM 1355 C PHE A 86 5.648 8.458 -15.585 1.00 0.00 C ATOM 1356 O PHE A 86 5.765 9.607 -16.018 1.00 0.00 O ATOM 1357 CB PHE A 86 3.384 8.237 -14.377 1.00 0.00 C ATOM 1358 CG PHE A 86 2.737 9.612 -14.392 1.00 0.00 C ATOM 1359 CD1 PHE A 86 2.739 10.395 -15.563 1.00 0.00 C ATOM 1360 CD2 PHE A 86 2.129 10.109 -13.222 1.00 0.00 C ATOM 1361 CE1 PHE A 86 2.158 11.676 -15.557 1.00 0.00 C ATOM 1362 CE2 PHE A 86 1.559 11.395 -13.214 1.00 0.00 C ATOM 1363 CZ PHE A 86 1.574 12.179 -14.381 1.00 0.00 C ATOM 0 H PHE A 86 5.266 10.160 -13.605 1.00 0.00 H new ATOM 0 HA PHE A 86 5.131 7.196 -13.932 1.00 0.00 H new ATOM 0 HB2 PHE A 86 3.097 7.713 -15.289 1.00 0.00 H new ATOM 0 HB3 PHE A 86 2.970 7.672 -13.542 1.00 0.00 H new ATOM 0 HD1 PHE A 86 3.188 10.011 -16.467 1.00 0.00 H new ATOM 0 HD2 PHE A 86 2.101 9.501 -12.330 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.160 12.274 -16.456 1.00 0.00 H new ATOM 0 HE2 PHE A 86 1.110 11.780 -12.311 1.00 0.00 H new ATOM 0 HZ PHE A 86 1.137 13.167 -14.374 1.00 0.00 H new ATOM 1373 N SER A 87 6.156 7.389 -16.202 1.00 0.00 N ATOM 1374 CA SER A 87 7.107 7.482 -17.308 1.00 0.00 C ATOM 1375 C SER A 87 6.728 6.532 -18.445 1.00 0.00 C ATOM 1376 O SER A 87 5.960 5.582 -18.257 1.00 0.00 O ATOM 1377 CB SER A 87 8.521 7.193 -16.779 1.00 0.00 C ATOM 1378 OG SER A 87 8.845 8.055 -15.697 1.00 0.00 O ATOM 0 H SER A 87 5.917 6.431 -15.946 1.00 0.00 H new ATOM 0 HA SER A 87 7.082 8.490 -17.721 1.00 0.00 H new ATOM 0 HB2 SER A 87 8.586 6.155 -16.454 1.00 0.00 H new ATOM 0 HB3 SER A 87 9.247 7.322 -17.582 1.00 0.00 H new ATOM 0 HG SER A 87 9.748 7.852 -15.376 1.00 0.00 H new ATOM 1384 N ILE A 88 7.253 6.784 -19.642 1.00 0.00 N ATOM 1385 CA ILE A 88 6.878 6.072 -20.855 1.00 0.00 C ATOM 1386 C ILE A 88 8.187 5.681 -21.535 1.00 0.00 C ATOM 1387 O ILE A 88 8.972 6.547 -21.929 1.00 0.00 O ATOM 1388 CB ILE A 88 5.956 6.945 -21.744 1.00 0.00 C ATOM 1389 CG1 ILE A 88 4.746 7.507 -20.954 1.00 0.00 C ATOM 1390 CG2 ILE A 88 5.484 6.098 -22.935 1.00 0.00 C ATOM 1391 CD1 ILE A 88 3.725 8.296 -21.782 1.00 0.00 C ATOM 0 H ILE A 88 7.962 7.501 -19.796 1.00 0.00 H new ATOM 0 HA ILE A 88 6.293 5.177 -20.646 1.00 0.00 H new ATOM 0 HB ILE A 88 6.521 7.808 -22.097 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.232 6.676 -20.472 1.00 0.00 H new ATOM 0 HG13 ILE A 88 5.121 8.153 -20.160 1.00 0.00 H new ATOM 0 HG21 ILE A 88 4.833 6.697 -23.572 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.348 5.765 -23.510 1.00 0.00 H new ATOM 0 HG23 ILE A 88 4.935 5.230 -22.569 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.921 8.643 -21.133 1.00 0.00 H new ATOM 0 HD12 ILE A 88 4.215 9.153 -22.243 1.00 0.00 H new ATOM 0 HD13 ILE A 88 3.312 7.653 -22.559 1.00 0.00 H new ATOM 1403 N VAL A 89 8.445 4.378 -21.624 1.00 0.00 N ATOM 1404 CA VAL A 89 9.617 3.829 -22.291 1.00 0.00 C ATOM 1405 C VAL A 89 9.441 4.043 -23.800 1.00 0.00 C ATOM 1406 O VAL A 89 8.332 3.901 -24.330 1.00 0.00 O ATOM 1407 CB VAL A 89 9.774 2.339 -21.903 1.00 0.00 C ATOM 1408 CG1 VAL A 89 11.026 1.706 -22.532 1.00 0.00 C ATOM 1409 CG2 VAL A 89 9.862 2.153 -20.377 1.00 0.00 C ATOM 0 H VAL A 89 7.834 3.665 -21.227 1.00 0.00 H new ATOM 0 HA VAL A 89 10.535 4.330 -21.983 1.00 0.00 H new ATOM 0 HB VAL A 89 8.883 1.841 -22.286 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.095 0.660 -22.232 1.00 0.00 H new ATOM 0 HG12 VAL A 89 10.959 1.768 -23.618 1.00 0.00 H new ATOM 0 HG13 VAL A 89 11.913 2.240 -22.192 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.972 1.094 -20.145 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.723 2.699 -19.993 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.953 2.534 -19.911 1.00 0.00 H new