USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 481 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 54 HIS : no HD1:sc= -2.3 K(o=-4.9,f=-6.6!) USER MOD Set 1.2: A 55 HIS : no HD1:sc= -2.6! C(o=-4.9!,f=-5.6!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -179:sc= 0 (180deg=-0.000499) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.00317 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 25:sc= -1.54! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 ASN :FLIP amide:sc= 0.263 F(o=-2.6!,f=0.26) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= -0.453 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 52 HIS : no HD1:sc= -0.482 K(o=-0.48,f=-1.1!) USER MOD Single : A 53 HIS : no HD1:sc= -0.94! C(o=-0.94!,f=-5.5!) USER MOD Single : A 56 HIS : no HD1:sc= -0.0446 X(o=-0.045,f=-0.13) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 15.201 -38.389 -9.832 1.00 0.00 N ATOM 2 CA MET A 1 15.408 -38.300 -11.272 1.00 0.00 C ATOM 3 C MET A 1 14.153 -37.775 -11.963 1.00 0.00 C ATOM 4 O MET A 1 14.221 -36.853 -12.775 1.00 0.00 O ATOM 5 CB MET A 1 15.763 -39.677 -11.835 1.00 0.00 C ATOM 6 CG MET A 1 16.021 -39.564 -13.339 1.00 0.00 C ATOM 7 SD MET A 1 17.291 -40.759 -13.824 1.00 0.00 S ATOM 8 CE MET A 1 16.536 -41.271 -15.387 1.00 0.00 C ATOM 0 H1 MET A 1 16.071 -38.732 -9.377 1.00 0.00 H new ATOM 0 H2 MET A 1 14.961 -37.449 -9.457 1.00 0.00 H new ATOM 0 H3 MET A 1 14.423 -39.050 -9.633 1.00 0.00 H new ATOM 0 HA MET A 1 16.229 -37.608 -11.459 1.00 0.00 H new ATOM 0 HB2 MET A 1 16.647 -40.070 -11.332 1.00 0.00 H new ATOM 0 HB3 MET A 1 14.951 -40.379 -11.647 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.100 -39.751 -13.892 1.00 0.00 H new ATOM 0 HG3 MET A 1 16.343 -38.553 -13.589 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.165 -42.021 -15.867 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.550 -41.694 -15.194 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.437 -40.407 -16.044 1.00 0.00 H new ATOM 18 N THR A 2 13.010 -38.368 -11.635 1.00 0.00 N ATOM 19 CA THR A 2 11.746 -37.952 -12.232 1.00 0.00 C ATOM 20 C THR A 2 10.870 -37.246 -11.201 1.00 0.00 C ATOM 21 O THR A 2 10.181 -36.277 -11.519 1.00 0.00 O ATOM 22 CB THR A 2 11.003 -39.174 -12.785 1.00 0.00 C ATOM 23 OG1 THR A 2 11.736 -40.351 -12.473 1.00 0.00 O ATOM 24 CG2 THR A 2 10.859 -39.050 -14.303 1.00 0.00 C ATOM 0 H THR A 2 12.932 -39.132 -10.964 1.00 0.00 H new ATOM 0 HA THR A 2 11.961 -37.257 -13.044 1.00 0.00 H new ATOM 0 HB THR A 2 10.012 -39.229 -12.334 1.00 0.00 H new ATOM 0 HG1 THR A 2 11.262 -41.134 -12.824 1.00 0.00 H new ATOM 0 HG21 THR A 2 10.330 -39.921 -14.691 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.296 -38.148 -14.543 1.00 0.00 H new ATOM 0 HG23 THR A 2 11.847 -38.993 -14.759 1.00 0.00 H new ATOM 32 N TYR A 3 10.901 -37.738 -9.967 1.00 0.00 N ATOM 33 CA TYR A 3 10.104 -37.146 -8.899 1.00 0.00 C ATOM 34 C TYR A 3 10.483 -35.682 -8.695 1.00 0.00 C ATOM 35 O TYR A 3 9.700 -34.897 -8.160 1.00 0.00 O ATOM 36 CB TYR A 3 10.322 -37.920 -7.594 1.00 0.00 C ATOM 37 CG TYR A 3 9.041 -38.614 -7.193 1.00 0.00 C ATOM 38 CD1 TYR A 3 8.510 -39.626 -8.000 1.00 0.00 C ATOM 39 CD2 TYR A 3 8.385 -38.243 -6.013 1.00 0.00 C ATOM 40 CE1 TYR A 3 7.323 -40.268 -7.628 1.00 0.00 C ATOM 41 CE2 TYR A 3 7.197 -38.885 -5.640 1.00 0.00 C ATOM 42 CZ TYR A 3 6.666 -39.898 -6.448 1.00 0.00 C ATOM 43 OH TYR A 3 5.496 -40.530 -6.081 1.00 0.00 O ATOM 0 H TYR A 3 11.465 -38.539 -9.683 1.00 0.00 H new ATOM 0 HA TYR A 3 9.053 -37.200 -9.182 1.00 0.00 H new ATOM 0 HB2 TYR A 3 11.119 -38.653 -7.723 1.00 0.00 H new ATOM 0 HB3 TYR A 3 10.640 -37.239 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR A 3 9.016 -39.912 -8.910 1.00 0.00 H new ATOM 0 HD2 TYR A 3 8.795 -37.462 -5.390 1.00 0.00 H new ATOM 0 HE1 TYR A 3 6.914 -41.049 -8.251 1.00 0.00 H new ATOM 0 HE2 TYR A 3 6.691 -38.599 -4.730 1.00 0.00 H new ATOM 0 HH TYR A 3 5.172 -40.154 -5.236 1.00 0.00 H new ATOM 53 N PHE A 4 11.687 -35.321 -9.125 1.00 0.00 N ATOM 54 CA PHE A 4 12.157 -33.949 -8.984 1.00 0.00 C ATOM 55 C PHE A 4 11.031 -32.963 -9.283 1.00 0.00 C ATOM 56 O PHE A 4 10.992 -31.864 -8.731 1.00 0.00 O ATOM 57 CB PHE A 4 13.329 -33.696 -9.939 1.00 0.00 C ATOM 58 CG PHE A 4 14.520 -33.186 -9.163 1.00 0.00 C ATOM 59 CD1 PHE A 4 14.516 -31.883 -8.650 1.00 0.00 C ATOM 60 CD2 PHE A 4 15.628 -34.017 -8.960 1.00 0.00 C ATOM 61 CE1 PHE A 4 15.622 -31.412 -7.932 1.00 0.00 C ATOM 62 CE2 PHE A 4 16.734 -33.545 -8.242 1.00 0.00 C ATOM 63 CZ PHE A 4 16.731 -32.243 -7.729 1.00 0.00 C ATOM 0 H PHE A 4 12.351 -35.954 -9.571 1.00 0.00 H new ATOM 0 HA PHE A 4 12.489 -33.803 -7.956 1.00 0.00 H new ATOM 0 HB2 PHE A 4 13.590 -34.617 -10.461 1.00 0.00 H new ATOM 0 HB3 PHE A 4 13.041 -32.970 -10.699 1.00 0.00 H new ATOM 0 HD1 PHE A 4 13.661 -31.242 -8.808 1.00 0.00 H new ATOM 0 HD2 PHE A 4 15.630 -35.021 -9.357 1.00 0.00 H new ATOM 0 HE1 PHE A 4 15.620 -30.408 -7.535 1.00 0.00 H new ATOM 0 HE2 PHE A 4 17.589 -34.186 -8.084 1.00 0.00 H new ATOM 0 HZ PHE A 4 17.584 -31.879 -7.176 1.00 0.00 H new ATOM 73 N TYR A 5 10.117 -33.364 -10.159 1.00 0.00 N ATOM 74 CA TYR A 5 8.995 -32.506 -10.522 1.00 0.00 C ATOM 75 C TYR A 5 7.851 -32.679 -9.526 1.00 0.00 C ATOM 76 O TYR A 5 7.267 -31.700 -9.063 1.00 0.00 O ATOM 77 CB TYR A 5 8.508 -32.845 -11.931 1.00 0.00 C ATOM 78 CG TYR A 5 7.583 -31.755 -12.419 1.00 0.00 C ATOM 79 CD1 TYR A 5 8.104 -30.511 -12.794 1.00 0.00 C ATOM 80 CD2 TYR A 5 6.205 -31.990 -12.495 1.00 0.00 C ATOM 81 CE1 TYR A 5 7.245 -29.500 -13.245 1.00 0.00 C ATOM 82 CE2 TYR A 5 5.347 -30.980 -12.947 1.00 0.00 C ATOM 83 CZ TYR A 5 5.867 -29.735 -13.321 1.00 0.00 C ATOM 84 OH TYR A 5 5.021 -28.739 -13.766 1.00 0.00 O ATOM 0 H TYR A 5 10.130 -34.270 -10.628 1.00 0.00 H new ATOM 0 HA TYR A 5 9.330 -31.469 -10.499 1.00 0.00 H new ATOM 0 HB2 TYR A 5 9.357 -32.946 -12.607 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.988 -33.803 -11.927 1.00 0.00 H new ATOM 0 HD1 TYR A 5 9.167 -30.331 -12.736 1.00 0.00 H new ATOM 0 HD2 TYR A 5 5.804 -32.950 -12.205 1.00 0.00 H new ATOM 0 HE1 TYR A 5 7.646 -28.540 -13.534 1.00 0.00 H new ATOM 0 HE2 TYR A 5 4.284 -31.161 -13.007 1.00 0.00 H new ATOM 0 HH TYR A 5 4.097 -29.067 -13.759 1.00 0.00 H new ATOM 94 N VAL A 6 7.540 -33.929 -9.199 1.00 0.00 N ATOM 95 CA VAL A 6 6.468 -34.214 -8.252 1.00 0.00 C ATOM 96 C VAL A 6 6.821 -33.668 -6.873 1.00 0.00 C ATOM 97 O VAL A 6 5.944 -33.457 -6.035 1.00 0.00 O ATOM 98 CB VAL A 6 6.232 -35.723 -8.165 1.00 0.00 C ATOM 99 CG1 VAL A 6 5.124 -36.010 -7.150 1.00 0.00 C ATOM 100 CG2 VAL A 6 5.811 -36.250 -9.539 1.00 0.00 C ATOM 0 H VAL A 6 8.010 -34.754 -9.572 1.00 0.00 H new ATOM 0 HA VAL A 6 5.557 -33.729 -8.602 1.00 0.00 H new ATOM 0 HB VAL A 6 7.151 -36.217 -7.849 1.00 0.00 H new ATOM 0 HG11 VAL A 6 4.956 -37.085 -7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 6 5.420 -35.632 -6.171 1.00 0.00 H new ATOM 0 HG13 VAL A 6 4.205 -35.517 -7.466 1.00 0.00 H new ATOM 0 HG21 VAL A 6 5.642 -37.325 -9.480 1.00 0.00 H new ATOM 0 HG22 VAL A 6 4.892 -35.755 -9.853 1.00 0.00 H new ATOM 0 HG23 VAL A 6 6.599 -36.046 -10.264 1.00 0.00 H new ATOM 110 N THR A 7 8.111 -33.438 -6.646 1.00 0.00 N ATOM 111 CA THR A 7 8.566 -32.912 -5.365 1.00 0.00 C ATOM 112 C THR A 7 8.152 -31.452 -5.213 1.00 0.00 C ATOM 113 O THR A 7 8.113 -30.919 -4.104 1.00 0.00 O ATOM 114 CB THR A 7 10.091 -33.025 -5.266 1.00 0.00 C ATOM 115 OG1 THR A 7 10.675 -32.606 -6.492 1.00 0.00 O ATOM 116 CG2 THR A 7 10.481 -34.477 -4.982 1.00 0.00 C ATOM 0 H THR A 7 8.853 -33.606 -7.326 1.00 0.00 H new ATOM 0 HA THR A 7 8.106 -33.496 -4.567 1.00 0.00 H new ATOM 0 HB THR A 7 10.451 -32.391 -4.456 1.00 0.00 H new ATOM 0 HG1 THR A 7 10.066 -31.990 -6.950 1.00 0.00 H new ATOM 0 HG21 THR A 7 11.566 -34.555 -4.912 1.00 0.00 H new ATOM 0 HG22 THR A 7 10.033 -34.797 -4.041 1.00 0.00 H new ATOM 0 HG23 THR A 7 10.123 -35.115 -5.790 1.00 0.00 H new ATOM 124 N ASP A 8 7.841 -30.812 -6.336 1.00 0.00 N ATOM 125 CA ASP A 8 7.430 -29.413 -6.320 1.00 0.00 C ATOM 126 C ASP A 8 6.053 -29.266 -5.691 1.00 0.00 C ATOM 127 O ASP A 8 5.682 -28.191 -5.219 1.00 0.00 O ATOM 128 CB ASP A 8 7.408 -28.855 -7.743 1.00 0.00 C ATOM 129 CG ASP A 8 7.754 -27.370 -7.726 1.00 0.00 C ATOM 130 OD1 ASP A 8 7.428 -26.717 -6.749 1.00 0.00 O ATOM 131 OD2 ASP A 8 8.340 -26.908 -8.691 1.00 0.00 O ATOM 0 H ASP A 8 7.865 -31.237 -7.263 1.00 0.00 H new ATOM 0 HA ASP A 8 8.150 -28.852 -5.724 1.00 0.00 H new ATOM 0 HB2 ASP A 8 8.121 -29.396 -8.366 1.00 0.00 H new ATOM 0 HB3 ASP A 8 6.423 -29.002 -8.185 1.00 0.00 H new ATOM 136 N TYR A 9 5.304 -30.354 -5.693 1.00 0.00 N ATOM 137 CA TYR A 9 3.961 -30.351 -5.124 1.00 0.00 C ATOM 138 C TYR A 9 4.026 -30.325 -3.600 1.00 0.00 C ATOM 139 O TYR A 9 3.223 -29.658 -2.947 1.00 0.00 O ATOM 140 CB TYR A 9 3.195 -31.593 -5.586 1.00 0.00 C ATOM 141 CG TYR A 9 1.814 -31.192 -6.052 1.00 0.00 C ATOM 142 CD1 TYR A 9 1.656 -30.502 -7.259 1.00 0.00 C ATOM 143 CD2 TYR A 9 0.693 -31.511 -5.276 1.00 0.00 C ATOM 144 CE1 TYR A 9 0.378 -30.129 -7.690 1.00 0.00 C ATOM 145 CE2 TYR A 9 -0.585 -31.139 -5.707 1.00 0.00 C ATOM 146 CZ TYR A 9 -0.743 -30.447 -6.914 1.00 0.00 C ATOM 147 OH TYR A 9 -2.003 -30.080 -7.338 1.00 0.00 O ATOM 0 H TYR A 9 5.598 -31.251 -6.080 1.00 0.00 H new ATOM 0 HA TYR A 9 3.441 -29.457 -5.469 1.00 0.00 H new ATOM 0 HB2 TYR A 9 3.734 -32.085 -6.395 1.00 0.00 H new ATOM 0 HB3 TYR A 9 3.120 -32.311 -4.770 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.521 -30.257 -7.858 1.00 0.00 H new ATOM 0 HD2 TYR A 9 0.815 -32.044 -4.345 1.00 0.00 H new ATOM 0 HE1 TYR A 9 0.256 -29.596 -8.621 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.450 -31.386 -5.109 1.00 0.00 H new ATOM 0 HH TYR A 9 -2.668 -30.379 -6.683 1.00 0.00 H new ATOM 157 N LEU A 10 4.987 -31.053 -3.039 1.00 0.00 N ATOM 158 CA LEU A 10 5.147 -31.103 -1.590 1.00 0.00 C ATOM 159 C LEU A 10 5.909 -29.877 -1.096 1.00 0.00 C ATOM 160 O LEU A 10 6.555 -29.916 -0.048 1.00 0.00 O ATOM 161 CB LEU A 10 5.905 -32.374 -1.193 1.00 0.00 C ATOM 162 CG LEU A 10 4.974 -33.305 -0.413 1.00 0.00 C ATOM 163 CD1 LEU A 10 4.515 -32.611 0.870 1.00 0.00 C ATOM 164 CD2 LEU A 10 3.753 -33.648 -1.274 1.00 0.00 C ATOM 0 H LEU A 10 5.662 -31.612 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 10 4.158 -31.112 -1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 10 6.279 -32.880 -2.083 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.772 -32.117 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 10 5.507 -34.221 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 10 3.852 -33.274 1.425 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.383 -32.369 1.483 1.00 0.00 H new ATOM 0 HD13 LEU A 10 3.982 -31.694 0.617 1.00 0.00 H new ATOM 0 HD21 LEU A 10 3.090 -34.311 -0.718 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.219 -32.733 -1.530 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.080 -34.145 -2.188 1.00 0.00 H new ATOM 176 N ASP A 11 5.828 -28.790 -1.857 1.00 0.00 N ATOM 177 CA ASP A 11 6.511 -27.559 -1.489 1.00 0.00 C ATOM 178 C ASP A 11 5.594 -26.359 -1.699 1.00 0.00 C ATOM 179 O ASP A 11 5.035 -26.172 -2.780 1.00 0.00 O ATOM 180 CB ASP A 11 7.778 -27.394 -2.332 1.00 0.00 C ATOM 181 CG ASP A 11 8.850 -26.654 -1.536 1.00 0.00 C ATOM 182 OD1 ASP A 11 8.646 -26.446 -0.352 1.00 0.00 O ATOM 183 OD2 ASP A 11 9.860 -26.306 -2.125 1.00 0.00 O ATOM 0 H ASP A 11 5.299 -28.738 -2.727 1.00 0.00 H new ATOM 0 HA ASP A 11 6.783 -27.614 -0.435 1.00 0.00 H new ATOM 0 HB2 ASP A 11 8.151 -28.372 -2.636 1.00 0.00 H new ATOM 0 HB3 ASP A 11 7.547 -26.843 -3.244 1.00 0.00 H new ATOM 188 N VAL A 12 5.447 -25.553 -0.658 1.00 0.00 N ATOM 189 CA VAL A 12 4.597 -24.369 -0.728 1.00 0.00 C ATOM 190 C VAL A 12 4.814 -23.628 -2.050 1.00 0.00 C ATOM 191 O VAL A 12 5.823 -22.943 -2.223 1.00 0.00 O ATOM 192 CB VAL A 12 4.918 -23.432 0.438 1.00 0.00 C ATOM 193 CG1 VAL A 12 3.996 -22.210 0.385 1.00 0.00 C ATOM 194 CG2 VAL A 12 4.706 -24.174 1.760 1.00 0.00 C ATOM 0 H VAL A 12 5.903 -25.695 0.243 1.00 0.00 H new ATOM 0 HA VAL A 12 3.556 -24.687 -0.668 1.00 0.00 H new ATOM 0 HB VAL A 12 5.955 -23.105 0.365 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.226 -21.544 1.217 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.147 -21.681 -0.556 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.958 -22.534 0.457 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.934 -23.508 2.592 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.669 -24.501 1.831 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.364 -25.042 1.799 1.00 0.00 H new ATOM 204 N PRO A 13 3.897 -23.750 -2.977 1.00 0.00 N ATOM 205 CA PRO A 13 4.004 -23.073 -4.305 1.00 0.00 C ATOM 206 C PRO A 13 4.292 -21.581 -4.165 1.00 0.00 C ATOM 207 O PRO A 13 3.733 -20.909 -3.299 1.00 0.00 O ATOM 208 CB PRO A 13 2.635 -23.306 -4.950 1.00 0.00 C ATOM 209 CG PRO A 13 2.074 -24.514 -4.276 1.00 0.00 C ATOM 210 CD PRO A 13 2.662 -24.543 -2.866 1.00 0.00 C ATOM 0 HA PRO A 13 4.828 -23.468 -4.898 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.984 -22.442 -4.812 1.00 0.00 H new ATOM 0 HB3 PRO A 13 2.730 -23.465 -6.024 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.986 -24.467 -4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 13 2.336 -25.419 -4.823 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.975 -24.111 -2.138 1.00 0.00 H new ATOM 0 HD3 PRO A 13 2.870 -25.563 -2.542 1.00 0.00 H new ATOM 218 N SER A 14 5.168 -21.070 -5.023 1.00 0.00 N ATOM 219 CA SER A 14 5.526 -19.658 -4.986 1.00 0.00 C ATOM 220 C SER A 14 4.368 -18.797 -5.477 1.00 0.00 C ATOM 221 O SER A 14 4.339 -17.585 -5.250 1.00 0.00 O ATOM 222 CB SER A 14 6.758 -19.408 -5.855 1.00 0.00 C ATOM 223 OG SER A 14 7.359 -18.176 -5.478 1.00 0.00 O ATOM 0 H SER A 14 5.641 -21.609 -5.748 1.00 0.00 H new ATOM 0 HA SER A 14 5.750 -19.387 -3.954 1.00 0.00 H new ATOM 0 HB2 SER A 14 7.471 -20.224 -5.738 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.475 -19.380 -6.907 1.00 0.00 H new ATOM 0 HG SER A 14 8.150 -18.015 -6.033 1.00 0.00 H new ATOM 229 N ASN A 15 3.408 -19.428 -6.143 1.00 0.00 N ATOM 230 CA ASN A 15 2.254 -18.702 -6.647 1.00 0.00 C ATOM 231 C ASN A 15 1.564 -17.976 -5.499 1.00 0.00 C ATOM 232 O ASN A 15 0.929 -16.940 -5.697 1.00 0.00 O ATOM 233 CB ASN A 15 1.272 -19.668 -7.313 1.00 0.00 C ATOM 234 CG ASN A 15 1.966 -20.424 -8.441 1.00 0.00 C ATOM 235 OD1 ASN A 15 2.877 -21.313 -8.155 1.00 0.00 O flip ATOM 236 ND2 ASN A 15 1.671 -20.198 -9.614 1.00 0.00 N flip ATOM 0 H ASN A 15 3.407 -20.428 -6.344 1.00 0.00 H new ATOM 0 HA ASN A 15 2.588 -17.974 -7.386 1.00 0.00 H new ATOM 0 HB2 ASN A 15 0.886 -20.372 -6.576 1.00 0.00 H new ATOM 0 HB3 ASN A 15 0.417 -19.117 -7.706 1.00 0.00 H new ATOM 0 HD21 ASN A 15 0.958 -19.503 -9.836 1.00 0.00 H new ATOM 0 HD22 ASN A 15 2.139 -20.706 -10.365 1.00 0.00 H new ATOM 243 N ILE A 16 1.706 -18.523 -4.294 1.00 0.00 N ATOM 244 CA ILE A 16 1.103 -17.913 -3.116 1.00 0.00 C ATOM 245 C ILE A 16 1.923 -16.718 -2.671 1.00 0.00 C ATOM 246 O ILE A 16 1.439 -15.832 -1.970 1.00 0.00 O ATOM 247 CB ILE A 16 1.004 -18.932 -1.979 1.00 0.00 C ATOM 248 CG1 ILE A 16 -0.024 -20.004 -2.347 1.00 0.00 C ATOM 249 CG2 ILE A 16 0.565 -18.226 -0.697 1.00 0.00 C ATOM 250 CD1 ILE A 16 0.099 -21.181 -1.376 1.00 0.00 C ATOM 0 H ILE A 16 2.229 -19.379 -4.110 1.00 0.00 H new ATOM 0 HA ILE A 16 0.098 -17.578 -3.374 1.00 0.00 H new ATOM 0 HB ILE A 16 1.977 -19.397 -1.822 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.031 -19.588 -2.306 1.00 0.00 H new ATOM 0 HG13 ILE A 16 0.139 -20.344 -3.370 1.00 0.00 H new ATOM 0 HG21 ILE A 16 0.495 -18.952 0.113 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.295 -17.460 -0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.408 -17.761 -0.853 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -0.633 -21.946 -1.637 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.102 -21.602 -1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -0.085 -20.834 -0.359 1.00 0.00 H new ATOM 262 N ALA A 17 3.165 -16.712 -3.105 1.00 0.00 N ATOM 263 CA ALA A 17 4.088 -15.630 -2.782 1.00 0.00 C ATOM 264 C ALA A 17 3.783 -14.407 -3.637 1.00 0.00 C ATOM 265 O ALA A 17 4.043 -13.272 -3.240 1.00 0.00 O ATOM 266 CB ALA A 17 5.524 -16.081 -3.036 1.00 0.00 C ATOM 0 H ALA A 17 3.567 -17.447 -3.687 1.00 0.00 H new ATOM 0 HA ALA A 17 3.969 -15.370 -1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 17 6.209 -15.269 -2.793 1.00 0.00 H new ATOM 0 HB2 ALA A 17 5.750 -16.945 -2.411 1.00 0.00 H new ATOM 0 HB3 ALA A 17 5.640 -16.352 -4.085 1.00 0.00 H new ATOM 272 N LYS A 18 3.223 -14.659 -4.813 1.00 0.00 N ATOM 273 CA LYS A 18 2.869 -13.589 -5.734 1.00 0.00 C ATOM 274 C LYS A 18 1.460 -13.124 -5.436 1.00 0.00 C ATOM 275 O LYS A 18 1.120 -11.953 -5.605 1.00 0.00 O ATOM 276 CB LYS A 18 2.960 -14.084 -7.179 1.00 0.00 C ATOM 277 CG LYS A 18 2.527 -12.968 -8.134 1.00 0.00 C ATOM 278 CD LYS A 18 1.423 -13.484 -9.060 1.00 0.00 C ATOM 279 CE LYS A 18 1.097 -12.417 -10.108 1.00 0.00 C ATOM 280 NZ LYS A 18 1.627 -12.843 -11.433 1.00 0.00 N ATOM 0 H LYS A 18 3.004 -15.596 -5.151 1.00 0.00 H new ATOM 0 HA LYS A 18 3.563 -12.759 -5.607 1.00 0.00 H new ATOM 0 HB2 LYS A 18 3.981 -14.393 -7.404 1.00 0.00 H new ATOM 0 HB3 LYS A 18 2.325 -14.959 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.168 -12.109 -7.567 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.379 -12.628 -8.722 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.744 -14.404 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.531 -13.725 -8.481 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.019 -12.267 -10.167 1.00 0.00 H new ATOM 0 HE3 LYS A 18 1.536 -11.462 -9.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.405 -12.118 -12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.658 -12.964 -11.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.188 -13.745 -11.709 1.00 0.00 H new ATOM 294 N ILE A 19 0.654 -14.058 -4.965 1.00 0.00 N ATOM 295 CA ILE A 19 -0.719 -13.759 -4.605 1.00 0.00 C ATOM 296 C ILE A 19 -0.737 -13.166 -3.208 1.00 0.00 C ATOM 297 O ILE A 19 -1.710 -12.536 -2.793 1.00 0.00 O ATOM 298 CB ILE A 19 -1.565 -15.032 -4.640 1.00 0.00 C ATOM 299 CG1 ILE A 19 -1.682 -15.525 -6.085 1.00 0.00 C ATOM 300 CG2 ILE A 19 -2.960 -14.733 -4.089 1.00 0.00 C ATOM 301 CD1 ILE A 19 -2.377 -16.887 -6.104 1.00 0.00 C ATOM 0 H ILE A 19 0.927 -15.030 -4.823 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.137 -13.048 -5.317 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.091 -15.801 -4.030 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.247 -14.808 -6.681 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.692 -15.603 -6.535 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -3.563 -15.641 -4.114 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.877 -14.380 -3.061 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.435 -13.965 -4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.461 -17.238 -7.132 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.794 -17.601 -5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.373 -16.793 -5.670 1.00 0.00 H new ATOM 313 N ILE A 20 0.363 -13.374 -2.489 1.00 0.00 N ATOM 314 CA ILE A 20 0.487 -12.856 -1.131 1.00 0.00 C ATOM 315 C ILE A 20 0.936 -11.397 -1.156 1.00 0.00 C ATOM 316 O ILE A 20 0.273 -10.523 -0.599 1.00 0.00 O ATOM 317 CB ILE A 20 1.497 -13.691 -0.339 1.00 0.00 C ATOM 318 CG1 ILE A 20 0.783 -14.888 0.291 1.00 0.00 C ATOM 319 CG2 ILE A 20 2.123 -12.836 0.766 1.00 0.00 C ATOM 320 CD1 ILE A 20 0.154 -14.466 1.620 1.00 0.00 C ATOM 0 H ILE A 20 1.175 -13.894 -2.822 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.488 -12.918 -0.648 1.00 0.00 H new ATOM 0 HB ILE A 20 2.280 -14.041 -1.012 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.014 -15.263 -0.384 1.00 0.00 H new ATOM 0 HG13 ILE A 20 1.489 -15.702 0.453 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.841 -13.435 1.327 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.633 -11.982 0.320 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.342 -12.482 1.439 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -0.355 -15.319 2.069 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.933 -14.112 2.295 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -0.565 -13.666 1.444 1.00 0.00 H new ATOM 332 N ILE A 21 2.069 -11.145 -1.803 1.00 0.00 N ATOM 333 CA ILE A 21 2.603 -9.791 -1.891 1.00 0.00 C ATOM 334 C ILE A 21 1.855 -8.978 -2.943 1.00 0.00 C ATOM 335 O ILE A 21 1.580 -7.797 -2.745 1.00 0.00 O ATOM 336 CB ILE A 21 4.091 -9.839 -2.244 1.00 0.00 C ATOM 337 CG1 ILE A 21 4.797 -10.844 -1.332 1.00 0.00 C ATOM 338 CG2 ILE A 21 4.706 -8.452 -2.048 1.00 0.00 C ATOM 339 CD1 ILE A 21 6.276 -10.931 -1.717 1.00 0.00 C ATOM 0 H ILE A 21 2.632 -11.855 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 21 2.472 -9.310 -0.922 1.00 0.00 H new ATOM 0 HB ILE A 21 4.210 -10.145 -3.283 1.00 0.00 H new ATOM 0 HG12 ILE A 21 4.699 -10.538 -0.291 1.00 0.00 H new ATOM 0 HG13 ILE A 21 4.329 -11.824 -1.422 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.766 -8.485 -2.299 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.202 -7.735 -2.696 1.00 0.00 H new ATOM 0 HG23 ILE A 21 4.589 -8.146 -1.008 1.00 0.00 H new ATOM 0 HD11 ILE A 21 6.780 -11.647 -1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 21 6.364 -11.257 -2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.739 -9.951 -1.605 1.00 0.00 H new ATOM 351 N GLY A 22 1.531 -9.617 -4.064 1.00 0.00 N ATOM 352 CA GLY A 22 0.819 -8.936 -5.140 1.00 0.00 C ATOM 353 C GLY A 22 -0.162 -7.906 -4.585 1.00 0.00 C ATOM 354 O GLY A 22 -0.086 -6.719 -4.911 1.00 0.00 O ATOM 0 H GLY A 22 1.748 -10.596 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.534 -8.443 -5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.281 -9.667 -5.744 1.00 0.00 H new ATOM 358 N PRO A 23 -1.071 -8.338 -3.756 1.00 0.00 N ATOM 359 CA PRO A 23 -2.092 -7.442 -3.139 1.00 0.00 C ATOM 360 C PRO A 23 -1.453 -6.242 -2.447 1.00 0.00 C ATOM 361 O PRO A 23 -2.027 -5.153 -2.420 1.00 0.00 O ATOM 362 CB PRO A 23 -2.807 -8.339 -2.124 1.00 0.00 C ATOM 363 CG PRO A 23 -2.573 -9.737 -2.593 1.00 0.00 C ATOM 364 CD PRO A 23 -1.229 -9.733 -3.319 1.00 0.00 C ATOM 0 HA PRO A 23 -2.766 -7.019 -3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -2.409 -8.190 -1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -3.872 -8.112 -2.082 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -2.557 -10.431 -1.752 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -3.373 -10.061 -3.259 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -0.417 -10.040 -2.660 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -1.229 -10.420 -4.165 1.00 0.00 H new ATOM 372 N LEU A 24 -0.262 -6.445 -1.895 1.00 0.00 N ATOM 373 CA LEU A 24 0.442 -5.366 -1.214 1.00 0.00 C ATOM 374 C LEU A 24 1.146 -4.478 -2.226 1.00 0.00 C ATOM 375 O LEU A 24 1.173 -3.256 -2.082 1.00 0.00 O ATOM 376 CB LEU A 24 1.457 -5.937 -0.222 1.00 0.00 C ATOM 377 CG LEU A 24 1.968 -4.819 0.689 1.00 0.00 C ATOM 378 CD1 LEU A 24 0.920 -4.512 1.762 1.00 0.00 C ATOM 379 CD2 LEU A 24 3.268 -5.268 1.359 1.00 0.00 C ATOM 0 H LEU A 24 0.232 -7.337 -1.905 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.286 -4.768 -0.666 1.00 0.00 H new ATOM 0 HB2 LEU A 24 0.995 -6.724 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.290 -6.392 -0.759 1.00 0.00 H new ATOM 0 HG LEU A 24 2.152 -3.922 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.285 -3.715 2.410 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -0.007 -4.195 1.285 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.735 -5.407 2.356 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.635 -4.474 2.009 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.082 -6.164 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.014 -5.486 0.595 1.00 0.00 H new ATOM 391 N ILE A 25 1.694 -5.094 -3.263 1.00 0.00 N ATOM 392 CA ILE A 25 2.367 -4.341 -4.304 1.00 0.00 C ATOM 393 C ILE A 25 1.452 -3.220 -4.770 1.00 0.00 C ATOM 394 O ILE A 25 1.907 -2.138 -5.140 1.00 0.00 O ATOM 395 CB ILE A 25 2.714 -5.253 -5.482 1.00 0.00 C ATOM 396 CG1 ILE A 25 3.557 -6.430 -4.983 1.00 0.00 C ATOM 397 CG2 ILE A 25 3.508 -4.464 -6.524 1.00 0.00 C ATOM 398 CD1 ILE A 25 4.146 -7.179 -6.180 1.00 0.00 C ATOM 0 H ILE A 25 1.685 -6.104 -3.403 1.00 0.00 H new ATOM 0 HA ILE A 25 3.293 -3.924 -3.908 1.00 0.00 H new ATOM 0 HB ILE A 25 1.795 -5.627 -5.934 1.00 0.00 H new ATOM 0 HG12 ILE A 25 4.357 -6.070 -4.336 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.943 -7.104 -4.385 1.00 0.00 H new ATOM 0 HG21 ILE A 25 3.755 -5.115 -7.363 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.909 -3.625 -6.879 1.00 0.00 H new ATOM 0 HG23 ILE A 25 4.427 -4.089 -6.074 1.00 0.00 H new ATOM 0 HD11 ILE A 25 4.746 -8.017 -5.825 1.00 0.00 H new ATOM 0 HD12 ILE A 25 3.338 -7.552 -6.809 1.00 0.00 H new ATOM 0 HD13 ILE A 25 4.774 -6.502 -6.759 1.00 0.00 H new ATOM 410 N PHE A 26 0.151 -3.494 -4.739 1.00 0.00 N ATOM 411 CA PHE A 26 -0.840 -2.508 -5.153 1.00 0.00 C ATOM 412 C PHE A 26 -0.865 -1.340 -4.173 1.00 0.00 C ATOM 413 O PHE A 26 -0.914 -0.178 -4.577 1.00 0.00 O ATOM 414 CB PHE A 26 -2.224 -3.155 -5.219 1.00 0.00 C ATOM 415 CG PHE A 26 -2.493 -3.623 -6.629 1.00 0.00 C ATOM 416 CD1 PHE A 26 -1.444 -4.114 -7.416 1.00 0.00 C ATOM 417 CD2 PHE A 26 -3.792 -3.568 -7.149 1.00 0.00 C ATOM 418 CE1 PHE A 26 -1.694 -4.549 -8.723 1.00 0.00 C ATOM 419 CE2 PHE A 26 -4.041 -4.003 -8.457 1.00 0.00 C ATOM 420 CZ PHE A 26 -2.993 -4.492 -9.243 1.00 0.00 C ATOM 0 H PHE A 26 -0.239 -4.385 -4.433 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.570 -2.135 -6.141 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -2.277 -3.997 -4.528 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.987 -2.440 -4.910 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -0.442 -4.157 -7.015 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -4.601 -3.190 -6.542 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.885 -4.928 -9.330 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.043 -3.961 -8.859 1.00 0.00 H new ATOM 0 HZ PHE A 26 -3.186 -4.826 -10.252 1.00 0.00 H new ATOM 430 N VAL A 27 -0.825 -1.656 -2.882 1.00 0.00 N ATOM 431 CA VAL A 27 -0.838 -0.623 -1.853 1.00 0.00 C ATOM 432 C VAL A 27 0.402 0.256 -1.972 1.00 0.00 C ATOM 433 O VAL A 27 0.358 1.454 -1.689 1.00 0.00 O ATOM 434 CB VAL A 27 -0.877 -1.269 -0.466 1.00 0.00 C ATOM 435 CG1 VAL A 27 -1.071 -0.186 0.600 1.00 0.00 C ATOM 436 CG2 VAL A 27 -2.039 -2.263 -0.402 1.00 0.00 C ATOM 0 H VAL A 27 -0.784 -2.611 -2.526 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.726 -0.006 -1.989 1.00 0.00 H new ATOM 0 HB VAL A 27 0.061 -1.792 -0.282 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -1.099 -0.648 1.587 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.244 0.522 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -2.009 0.339 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.069 -2.725 0.585 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.977 -1.739 -0.586 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -1.900 -3.035 -1.159 1.00 0.00 H new ATOM 446 N PHE A 28 1.507 -0.349 -2.395 1.00 0.00 N ATOM 447 CA PHE A 28 2.758 0.383 -2.555 1.00 0.00 C ATOM 448 C PHE A 28 2.650 1.377 -3.706 1.00 0.00 C ATOM 449 O PHE A 28 3.198 2.476 -3.644 1.00 0.00 O ATOM 450 CB PHE A 28 3.902 -0.598 -2.829 1.00 0.00 C ATOM 451 CG PHE A 28 5.067 -0.289 -1.918 1.00 0.00 C ATOM 452 CD1 PHE A 28 5.627 0.994 -1.910 1.00 0.00 C ATOM 453 CD2 PHE A 28 5.586 -1.286 -1.083 1.00 0.00 C ATOM 454 CE1 PHE A 28 6.706 1.281 -1.067 1.00 0.00 C ATOM 455 CE2 PHE A 28 6.666 -0.998 -0.239 1.00 0.00 C ATOM 456 CZ PHE A 28 7.225 0.284 -0.230 1.00 0.00 C ATOM 0 H PHE A 28 1.562 -1.340 -2.632 1.00 0.00 H new ATOM 0 HA PHE A 28 2.961 0.931 -1.635 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.563 -1.621 -2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 28 4.214 -0.526 -3.871 1.00 0.00 H new ATOM 0 HD1 PHE A 28 5.226 1.762 -2.555 1.00 0.00 H new ATOM 0 HD2 PHE A 28 5.154 -2.276 -1.090 1.00 0.00 H new ATOM 0 HE1 PHE A 28 7.139 2.270 -1.061 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.067 -1.766 0.405 1.00 0.00 H new ATOM 0 HZ PHE A 28 8.057 0.506 0.422 1.00 0.00 H new ATOM 466 N LEU A 29 1.936 0.981 -4.754 1.00 0.00 N ATOM 467 CA LEU A 29 1.757 1.844 -5.914 1.00 0.00 C ATOM 468 C LEU A 29 0.794 2.980 -5.583 1.00 0.00 C ATOM 469 O LEU A 29 0.934 4.095 -6.087 1.00 0.00 O ATOM 470 CB LEU A 29 1.206 1.032 -7.089 1.00 0.00 C ATOM 471 CG LEU A 29 2.305 0.828 -8.133 1.00 0.00 C ATOM 472 CD1 LEU A 29 1.874 -0.254 -9.128 1.00 0.00 C ATOM 473 CD2 LEU A 29 2.544 2.141 -8.882 1.00 0.00 C ATOM 0 H LEU A 29 1.475 0.074 -4.824 1.00 0.00 H new ATOM 0 HA LEU A 29 2.724 2.265 -6.188 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.841 0.067 -6.738 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.358 1.550 -7.536 1.00 0.00 H new ATOM 0 HG LEU A 29 3.224 0.518 -7.636 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.658 -0.398 -9.871 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.702 -1.190 -8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.955 0.055 -9.626 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.327 1.998 -9.627 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.624 2.450 -9.378 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.852 2.912 -8.176 1.00 0.00 H new ATOM 485 N PHE A 30 -0.182 2.686 -4.733 1.00 0.00 N ATOM 486 CA PHE A 30 -1.168 3.687 -4.339 1.00 0.00 C ATOM 487 C PHE A 30 -0.564 4.678 -3.349 1.00 0.00 C ATOM 488 O PHE A 30 -0.814 5.879 -3.430 1.00 0.00 O ATOM 489 CB PHE A 30 -2.377 3.000 -3.703 1.00 0.00 C ATOM 490 CG PHE A 30 -3.209 4.024 -2.968 1.00 0.00 C ATOM 491 CD1 PHE A 30 -4.192 4.749 -3.651 1.00 0.00 C ATOM 492 CD2 PHE A 30 -2.995 4.247 -1.603 1.00 0.00 C ATOM 493 CE1 PHE A 30 -4.963 5.697 -2.969 1.00 0.00 C ATOM 494 CE2 PHE A 30 -3.766 5.195 -0.920 1.00 0.00 C ATOM 495 CZ PHE A 30 -4.750 5.921 -1.603 1.00 0.00 C ATOM 0 H PHE A 30 -0.313 1.769 -4.305 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.483 4.231 -5.230 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.977 2.512 -4.471 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.046 2.222 -3.014 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.356 4.577 -4.705 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -2.235 3.688 -1.077 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -5.722 6.256 -3.496 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.602 5.367 0.134 1.00 0.00 H new ATOM 0 HZ PHE A 30 -5.344 6.653 -1.077 1.00 0.00 H new ATOM 505 N SER A 31 0.232 4.166 -2.415 1.00 0.00 N ATOM 506 CA SER A 31 0.863 5.019 -1.414 1.00 0.00 C ATOM 507 C SER A 31 1.846 5.978 -2.070 1.00 0.00 C ATOM 508 O SER A 31 1.970 7.134 -1.663 1.00 0.00 O ATOM 509 CB SER A 31 1.596 4.161 -0.383 1.00 0.00 C ATOM 510 OG SER A 31 1.970 4.973 0.723 1.00 0.00 O ATOM 0 H SER A 31 0.454 3.174 -2.330 1.00 0.00 H new ATOM 0 HA SER A 31 0.085 5.598 -0.917 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.955 3.345 -0.050 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.480 3.708 -0.832 1.00 0.00 H new ATOM 0 HG SER A 31 2.439 4.426 1.387 1.00 0.00 H new ATOM 516 N VAL A 32 2.540 5.488 -3.084 1.00 0.00 N ATOM 517 CA VAL A 32 3.515 6.303 -3.797 1.00 0.00 C ATOM 518 C VAL A 32 2.821 7.414 -4.580 1.00 0.00 C ATOM 519 O VAL A 32 3.311 8.542 -4.639 1.00 0.00 O ATOM 520 CB VAL A 32 4.324 5.428 -4.754 1.00 0.00 C ATOM 521 CG1 VAL A 32 5.162 6.319 -5.674 1.00 0.00 C ATOM 522 CG2 VAL A 32 5.251 4.515 -3.947 1.00 0.00 C ATOM 0 H VAL A 32 2.448 4.534 -3.432 1.00 0.00 H new ATOM 0 HA VAL A 32 4.184 6.757 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 32 3.646 4.821 -5.354 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.739 5.696 -6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.503 6.972 -6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.841 6.925 -5.074 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.829 3.890 -4.628 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.929 5.123 -3.348 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.656 3.881 -3.290 1.00 0.00 H new ATOM 532 N VAL A 33 1.682 7.088 -5.180 1.00 0.00 N ATOM 533 CA VAL A 33 0.932 8.068 -5.958 1.00 0.00 C ATOM 534 C VAL A 33 0.515 9.249 -5.085 1.00 0.00 C ATOM 535 O VAL A 33 0.830 10.400 -5.388 1.00 0.00 O ATOM 536 CB VAL A 33 -0.311 7.412 -6.562 1.00 0.00 C ATOM 537 CG1 VAL A 33 -1.054 8.427 -7.433 1.00 0.00 C ATOM 538 CG2 VAL A 33 0.111 6.218 -7.419 1.00 0.00 C ATOM 0 H VAL A 33 1.260 6.160 -5.144 1.00 0.00 H new ATOM 0 HA VAL A 33 1.575 8.436 -6.757 1.00 0.00 H new ATOM 0 HB VAL A 33 -0.968 7.073 -5.761 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.939 7.959 -7.863 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.354 9.279 -6.823 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.398 8.768 -8.234 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -0.773 5.749 -7.850 1.00 0.00 H new ATOM 0 HG22 VAL A 33 0.768 6.559 -8.219 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.640 5.494 -6.799 1.00 0.00 H new ATOM 548 N ILE A 34 -0.197 8.954 -4.003 1.00 0.00 N ATOM 549 CA ILE A 34 -0.659 9.995 -3.090 1.00 0.00 C ATOM 550 C ILE A 34 0.515 10.648 -2.371 1.00 0.00 C ATOM 551 O ILE A 34 0.391 11.744 -1.825 1.00 0.00 O ATOM 552 CB ILE A 34 -1.621 9.401 -2.060 1.00 0.00 C ATOM 553 CG1 ILE A 34 -2.034 10.490 -1.066 1.00 0.00 C ATOM 554 CG2 ILE A 34 -0.929 8.262 -1.310 1.00 0.00 C ATOM 555 CD1 ILE A 34 -3.453 10.214 -0.566 1.00 0.00 C ATOM 0 H ILE A 34 -0.466 8.007 -3.737 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.176 10.754 -3.677 1.00 0.00 H new ATOM 0 HB ILE A 34 -2.505 9.015 -2.568 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.339 10.513 -0.226 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -1.989 11.469 -1.544 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.616 7.840 -0.576 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -0.633 7.488 -2.018 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -0.045 8.646 -0.801 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.747 10.989 0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.142 10.213 -1.410 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.482 9.243 -0.073 1.00 0.00 H new ATOM 567 N GLY A 35 1.643 9.957 -2.361 1.00 0.00 N ATOM 568 CA GLY A 35 2.833 10.463 -1.688 1.00 0.00 C ATOM 569 C GLY A 35 3.486 11.598 -2.458 1.00 0.00 C ATOM 570 O GLY A 35 3.660 12.698 -1.934 1.00 0.00 O ATOM 0 H GLY A 35 1.762 9.048 -2.808 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.565 10.810 -0.690 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.550 9.652 -1.561 1.00 0.00 H new ATOM 574 N SER A 36 3.841 11.329 -3.706 1.00 0.00 N ATOM 575 CA SER A 36 4.467 12.343 -4.534 1.00 0.00 C ATOM 576 C SER A 36 3.456 13.431 -4.834 1.00 0.00 C ATOM 577 O SER A 36 3.809 14.582 -5.089 1.00 0.00 O ATOM 578 CB SER A 36 4.976 11.728 -5.838 1.00 0.00 C ATOM 579 OG SER A 36 4.621 10.352 -5.877 1.00 0.00 O ATOM 0 H SER A 36 3.707 10.426 -4.162 1.00 0.00 H new ATOM 0 HA SER A 36 5.317 12.768 -4.001 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.546 12.251 -6.692 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.058 11.839 -5.908 1.00 0.00 H new ATOM 0 HG SER A 36 4.944 9.954 -6.712 1.00 0.00 H new ATOM 585 N ILE A 37 2.190 13.045 -4.793 1.00 0.00 N ATOM 586 CA ILE A 37 1.109 13.988 -5.055 1.00 0.00 C ATOM 587 C ILE A 37 0.911 14.916 -3.861 1.00 0.00 C ATOM 588 O ILE A 37 0.648 16.108 -4.024 1.00 0.00 O ATOM 589 CB ILE A 37 -0.187 13.236 -5.348 1.00 0.00 C ATOM 590 CG1 ILE A 37 -0.222 12.837 -6.825 1.00 0.00 C ATOM 591 CG2 ILE A 37 -1.385 14.135 -5.036 1.00 0.00 C ATOM 592 CD1 ILE A 37 -1.382 11.870 -7.066 1.00 0.00 C ATOM 0 H ILE A 37 1.885 12.094 -4.583 1.00 0.00 H new ATOM 0 HA ILE A 37 1.377 14.587 -5.925 1.00 0.00 H new ATOM 0 HB ILE A 37 -0.234 12.342 -4.727 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -0.338 13.723 -7.449 1.00 0.00 H new ATOM 0 HG13 ILE A 37 0.721 12.369 -7.108 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -2.309 13.596 -5.246 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -1.362 14.420 -3.984 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -1.339 15.031 -5.655 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -1.406 11.586 -8.118 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -1.246 10.979 -6.453 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -2.321 12.355 -6.799 1.00 0.00 H new ATOM 604 N TYR A 38 1.036 14.358 -2.662 1.00 0.00 N ATOM 605 CA TYR A 38 0.864 15.140 -1.442 1.00 0.00 C ATOM 606 C TYR A 38 1.698 16.417 -1.497 1.00 0.00 C ATOM 607 O TYR A 38 1.289 17.460 -0.986 1.00 0.00 O ATOM 608 CB TYR A 38 1.282 14.312 -0.226 1.00 0.00 C ATOM 609 CG TYR A 38 0.327 14.573 0.915 1.00 0.00 C ATOM 610 CD1 TYR A 38 0.470 15.726 1.697 1.00 0.00 C ATOM 611 CD2 TYR A 38 -0.700 13.662 1.192 1.00 0.00 C ATOM 612 CE1 TYR A 38 -0.415 15.968 2.756 1.00 0.00 C ATOM 613 CE2 TYR A 38 -1.584 13.903 2.250 1.00 0.00 C ATOM 614 CZ TYR A 38 -1.442 15.056 3.033 1.00 0.00 C ATOM 615 OH TYR A 38 -2.313 15.294 4.076 1.00 0.00 O ATOM 0 H TYR A 38 1.254 13.374 -2.508 1.00 0.00 H new ATOM 0 HA TYR A 38 -0.188 15.410 -1.356 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.283 13.252 -0.478 1.00 0.00 H new ATOM 0 HB3 TYR A 38 2.299 14.570 0.071 1.00 0.00 H new ATOM 0 HD1 TYR A 38 1.262 16.428 1.484 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.810 12.773 0.589 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -0.306 16.857 3.359 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.376 13.200 2.463 1.00 0.00 H new ATOM 0 HH TYR A 38 -2.965 14.565 4.130 1.00 0.00 H new ATOM 625 N LEU A 39 2.871 16.327 -2.115 1.00 0.00 N ATOM 626 CA LEU A 39 3.757 17.482 -2.225 1.00 0.00 C ATOM 627 C LEU A 39 2.971 18.732 -2.609 1.00 0.00 C ATOM 628 O LEU A 39 3.182 19.806 -2.046 1.00 0.00 O ATOM 629 CB LEU A 39 4.836 17.213 -3.277 1.00 0.00 C ATOM 630 CG LEU A 39 6.215 17.512 -2.686 1.00 0.00 C ATOM 631 CD1 LEU A 39 7.299 16.981 -3.625 1.00 0.00 C ATOM 632 CD2 LEU A 39 6.380 19.024 -2.523 1.00 0.00 C ATOM 0 H LEU A 39 3.229 15.474 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 39 4.226 17.648 -1.255 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.787 16.175 -3.605 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.664 17.834 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 39 6.307 17.027 -1.714 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.282 17.194 -3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 39 7.181 15.904 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.208 17.466 -4.597 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.362 19.240 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.288 19.507 -3.496 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.607 19.404 -1.855 1.00 0.00 H new ATOM 644 N PHE A 40 2.068 18.586 -3.572 1.00 0.00 N ATOM 645 CA PHE A 40 1.260 19.713 -4.024 1.00 0.00 C ATOM 646 C PHE A 40 0.370 20.227 -2.896 1.00 0.00 C ATOM 647 O PHE A 40 0.061 21.417 -2.829 1.00 0.00 O ATOM 648 CB PHE A 40 0.393 19.291 -5.211 1.00 0.00 C ATOM 649 CG PHE A 40 1.280 18.988 -6.396 1.00 0.00 C ATOM 650 CD1 PHE A 40 1.862 17.721 -6.528 1.00 0.00 C ATOM 651 CD2 PHE A 40 1.521 19.974 -7.360 1.00 0.00 C ATOM 652 CE1 PHE A 40 2.685 17.440 -7.625 1.00 0.00 C ATOM 653 CE2 PHE A 40 2.344 19.693 -8.457 1.00 0.00 C ATOM 654 CZ PHE A 40 2.926 18.426 -8.590 1.00 0.00 C ATOM 0 H PHE A 40 1.878 17.706 -4.052 1.00 0.00 H new ATOM 0 HA PHE A 40 1.931 20.515 -4.331 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -0.197 18.413 -4.950 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.310 20.085 -5.462 1.00 0.00 H new ATOM 0 HD1 PHE A 40 1.676 16.961 -5.784 1.00 0.00 H new ATOM 0 HD2 PHE A 40 1.072 20.951 -7.257 1.00 0.00 H new ATOM 0 HE1 PHE A 40 3.134 16.463 -7.727 1.00 0.00 H new ATOM 0 HE2 PHE A 40 2.530 20.453 -9.201 1.00 0.00 H new ATOM 0 HZ PHE A 40 3.561 18.209 -9.437 1.00 0.00 H new ATOM 664 N LEU A 41 -0.040 19.323 -2.012 1.00 0.00 N ATOM 665 CA LEU A 41 -0.895 19.699 -0.892 1.00 0.00 C ATOM 666 C LEU A 41 -0.102 20.480 0.147 1.00 0.00 C ATOM 667 O LEU A 41 -0.670 21.091 1.053 1.00 0.00 O ATOM 668 CB LEU A 41 -1.502 18.453 -0.248 1.00 0.00 C ATOM 669 CG LEU A 41 -2.859 18.802 0.363 1.00 0.00 C ATOM 670 CD1 LEU A 41 -3.971 18.459 -0.630 1.00 0.00 C ATOM 671 CD2 LEU A 41 -3.061 17.999 1.650 1.00 0.00 C ATOM 0 H LEU A 41 0.203 18.333 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.697 20.332 -1.271 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.619 17.666 -0.993 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -0.834 18.067 0.522 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.890 19.868 0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.938 18.708 -0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -3.829 19.031 -1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.939 17.394 -0.858 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.029 18.248 2.086 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.028 16.933 1.423 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.270 18.243 2.359 1.00 0.00 H new ATOM 683 N ARG A 42 1.211 20.452 0.002 1.00 0.00 N ATOM 684 CA ARG A 42 2.091 21.157 0.926 1.00 0.00 C ATOM 685 C ARG A 42 2.365 22.573 0.429 1.00 0.00 C ATOM 686 O ARG A 42 2.990 23.375 1.122 1.00 0.00 O ATOM 687 CB ARG A 42 3.414 20.397 1.071 1.00 0.00 C ATOM 688 CG ARG A 42 3.565 19.898 2.511 1.00 0.00 C ATOM 689 CD ARG A 42 4.987 19.374 2.721 1.00 0.00 C ATOM 690 NE ARG A 42 5.267 18.288 1.789 1.00 0.00 N ATOM 691 CZ ARG A 42 5.107 17.017 2.144 1.00 0.00 C ATOM 692 NH1 ARG A 42 4.696 16.721 3.347 1.00 0.00 N ATOM 693 NH2 ARG A 42 5.362 16.064 1.289 1.00 0.00 N ATOM 0 H ARG A 42 1.694 19.951 -0.744 1.00 0.00 H new ATOM 0 HA ARG A 42 1.598 21.215 1.897 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.439 19.555 0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.249 21.048 0.811 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.357 20.707 3.211 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.841 19.108 2.712 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.705 20.181 2.576 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.105 19.023 3.746 1.00 0.00 H new ATOM 0 HE ARG A 42 5.592 18.508 0.847 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.497 17.465 4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.574 15.745 3.618 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.684 16.295 0.349 1.00 0.00 H new ATOM 0 HH22 ARG A 42 5.239 15.089 1.561 1.00 0.00 H new ATOM 707 N LYS A 43 1.888 22.876 -0.775 1.00 0.00 N ATOM 708 CA LYS A 43 2.085 24.200 -1.353 1.00 0.00 C ATOM 709 C LYS A 43 0.959 25.137 -0.931 1.00 0.00 C ATOM 710 O LYS A 43 0.653 26.108 -1.623 1.00 0.00 O ATOM 711 CB LYS A 43 2.130 24.108 -2.880 1.00 0.00 C ATOM 712 CG LYS A 43 2.490 25.476 -3.465 1.00 0.00 C ATOM 713 CD LYS A 43 3.444 25.293 -4.646 1.00 0.00 C ATOM 714 CE LYS A 43 3.459 26.567 -5.492 1.00 0.00 C ATOM 715 NZ LYS A 43 4.603 26.518 -6.446 1.00 0.00 N ATOM 0 H LYS A 43 1.366 22.228 -1.365 1.00 0.00 H new ATOM 0 HA LYS A 43 3.033 24.597 -0.989 1.00 0.00 H new ATOM 0 HB2 LYS A 43 2.865 23.364 -3.188 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.164 23.780 -3.264 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.587 25.993 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 43 2.956 26.098 -2.701 1.00 0.00 H new ATOM 0 HD2 LYS A 43 4.448 25.072 -4.285 1.00 0.00 H new ATOM 0 HD3 LYS A 43 3.129 24.444 -5.253 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.521 26.665 -6.038 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.546 27.442 -4.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.613 27.384 -7.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.494 26.444 -5.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 4.501 25.691 -7.068 1.00 0.00 H new ATOM 729 N ARG A 44 0.344 24.837 0.209 1.00 0.00 N ATOM 730 CA ARG A 44 -0.749 25.659 0.715 1.00 0.00 C ATOM 731 C ARG A 44 -1.614 26.167 -0.435 1.00 0.00 C ATOM 732 O ARG A 44 -1.702 27.371 -0.673 1.00 0.00 O ATOM 733 CB ARG A 44 -0.189 26.849 1.498 1.00 0.00 C ATOM 734 CG ARG A 44 1.174 26.479 2.085 1.00 0.00 C ATOM 735 CD ARG A 44 1.789 27.705 2.764 1.00 0.00 C ATOM 736 NE ARG A 44 3.202 27.472 3.038 1.00 0.00 N ATOM 737 CZ ARG A 44 4.139 27.819 2.163 1.00 0.00 C ATOM 738 NH1 ARG A 44 3.802 28.385 1.037 1.00 0.00 N ATOM 739 NH2 ARG A 44 5.397 27.594 2.429 1.00 0.00 N ATOM 0 H ARG A 44 0.582 24.037 0.796 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.364 25.047 1.375 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.092 27.715 0.843 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.877 27.128 2.296 1.00 0.00 H new ATOM 0 HG2 ARG A 44 1.063 25.669 2.806 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.835 26.117 1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.674 28.580 2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 44 1.261 27.918 3.693 1.00 0.00 H new ATOM 0 HE ARG A 44 3.476 27.035 3.918 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.819 28.561 0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.521 28.652 0.365 1.00 0.00 H new ATOM 0 HH21 ARG A 44 5.661 27.151 3.309 1.00 0.00 H new ATOM 0 HH22 ARG A 44 6.116 27.861 1.757 1.00 0.00 H new ATOM 753 N GLN A 45 -2.251 25.240 -1.144 1.00 0.00 N ATOM 754 CA GLN A 45 -3.107 25.608 -2.266 1.00 0.00 C ATOM 755 C GLN A 45 -4.540 25.842 -1.792 1.00 0.00 C ATOM 756 O GLN A 45 -5.087 26.931 -1.963 1.00 0.00 O ATOM 757 CB GLN A 45 -3.086 24.504 -3.326 1.00 0.00 C ATOM 758 CG GLN A 45 -2.287 24.976 -4.543 1.00 0.00 C ATOM 759 CD GLN A 45 -2.058 23.812 -5.501 1.00 0.00 C ATOM 760 OE1 GLN A 45 -2.927 22.955 -5.655 1.00 0.00 O ATOM 761 NE2 GLN A 45 -0.932 23.730 -6.156 1.00 0.00 N ATOM 0 H GLN A 45 -2.192 24.238 -0.964 1.00 0.00 H new ATOM 0 HA GLN A 45 -2.727 26.532 -2.702 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -2.640 23.599 -2.914 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -4.104 24.251 -3.622 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -2.824 25.776 -5.052 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.330 25.387 -4.222 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.213 24.442 -6.026 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -0.771 22.954 -6.798 1.00 0.00 H new ATOM 770 N PRO A 46 -5.148 24.848 -1.202 1.00 0.00 N ATOM 771 CA PRO A 46 -6.546 24.947 -0.689 1.00 0.00 C ATOM 772 C PRO A 46 -6.643 25.856 0.535 1.00 0.00 C ATOM 773 O PRO A 46 -7.488 25.652 1.406 1.00 0.00 O ATOM 774 CB PRO A 46 -6.907 23.505 -0.326 1.00 0.00 C ATOM 775 CG PRO A 46 -5.605 22.820 -0.077 1.00 0.00 C ATOM 776 CD PRO A 46 -4.569 23.518 -0.957 1.00 0.00 C ATOM 0 HA PRO A 46 -7.221 25.385 -1.425 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -7.544 23.470 0.558 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -7.456 23.022 -1.134 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -5.327 22.886 0.975 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -5.671 21.760 -0.323 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -3.603 23.589 -0.457 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -4.406 22.976 -1.888 1.00 0.00 H new ATOM 784 N ASP A 47 -5.763 26.850 0.594 1.00 0.00 N ATOM 785 CA ASP A 47 -5.746 27.778 1.711 1.00 0.00 C ATOM 786 C ASP A 47 -6.996 28.643 1.720 1.00 0.00 C ATOM 787 O ASP A 47 -6.943 29.836 2.016 1.00 0.00 O ATOM 788 CB ASP A 47 -4.498 28.661 1.648 1.00 0.00 C ATOM 789 CG ASP A 47 -3.999 28.962 3.057 1.00 0.00 C ATOM 790 OD1 ASP A 47 -4.531 29.872 3.671 1.00 0.00 O ATOM 791 OD2 ASP A 47 -3.093 28.278 3.502 1.00 0.00 O ATOM 0 H ASP A 47 -5.055 27.031 -0.118 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.725 27.197 2.633 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -3.717 28.160 1.076 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -4.727 29.591 1.128 1.00 0.00 H new ATOM 796 N GLY A 48 -8.115 28.025 1.390 1.00 0.00 N ATOM 797 CA GLY A 48 -9.392 28.730 1.357 1.00 0.00 C ATOM 798 C GLY A 48 -10.399 27.995 0.478 1.00 0.00 C ATOM 799 O GLY A 48 -10.023 27.215 -0.396 1.00 0.00 O ATOM 0 H GLY A 48 -8.170 27.038 1.141 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -9.787 28.823 2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -9.244 29.741 0.979 1.00 0.00 H new ATOM 803 N PRO A 49 -11.663 28.234 0.698 1.00 0.00 N ATOM 804 CA PRO A 49 -12.754 27.587 -0.087 1.00 0.00 C ATOM 805 C PRO A 49 -12.823 28.114 -1.518 1.00 0.00 C ATOM 806 O PRO A 49 -11.899 28.773 -1.992 1.00 0.00 O ATOM 807 CB PRO A 49 -14.025 27.941 0.689 1.00 0.00 C ATOM 808 CG PRO A 49 -13.696 29.177 1.461 1.00 0.00 C ATOM 809 CD PRO A 49 -12.188 29.151 1.720 1.00 0.00 C ATOM 0 HA PRO A 49 -12.601 26.513 -0.189 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -14.862 28.113 0.012 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -14.316 27.129 1.355 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -13.976 30.069 0.900 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -14.249 29.204 2.400 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -11.750 30.145 1.626 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -11.963 28.797 2.726 1.00 0.00 H new ATOM 817 N LEU A 50 -13.925 27.819 -2.200 1.00 0.00 N ATOM 818 CA LEU A 50 -14.104 28.270 -3.575 1.00 0.00 C ATOM 819 C LEU A 50 -14.761 29.645 -3.606 1.00 0.00 C ATOM 820 O LEU A 50 -14.747 30.327 -4.631 1.00 0.00 O ATOM 821 CB LEU A 50 -14.968 27.270 -4.346 1.00 0.00 C ATOM 822 CG LEU A 50 -14.327 25.882 -4.282 1.00 0.00 C ATOM 823 CD1 LEU A 50 -14.832 25.135 -3.044 1.00 0.00 C ATOM 824 CD2 LEU A 50 -14.697 25.092 -5.538 1.00 0.00 C ATOM 0 H LEU A 50 -14.702 27.274 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.123 28.338 -4.045 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -15.972 27.238 -3.922 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -15.071 27.587 -5.384 1.00 0.00 H new ATOM 0 HG LEU A 50 -13.244 25.988 -4.222 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -14.373 24.147 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -14.568 25.696 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -15.915 25.029 -3.100 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -14.241 24.103 -5.493 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -15.781 24.989 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -14.334 25.620 -6.420 1.00 0.00 H new ATOM 836 N GLU A 51 -15.335 30.047 -2.477 1.00 0.00 N ATOM 837 CA GLU A 51 -15.993 31.345 -2.387 1.00 0.00 C ATOM 838 C GLU A 51 -15.021 32.404 -1.876 1.00 0.00 C ATOM 839 O GLU A 51 -14.695 32.440 -0.690 1.00 0.00 O ATOM 840 CB GLU A 51 -17.197 31.257 -1.448 1.00 0.00 C ATOM 841 CG GLU A 51 -17.650 32.668 -1.066 1.00 0.00 C ATOM 842 CD GLU A 51 -19.145 32.672 -0.767 1.00 0.00 C ATOM 843 OE1 GLU A 51 -19.918 32.617 -1.709 1.00 0.00 O ATOM 844 OE2 GLU A 51 -19.496 32.729 0.401 1.00 0.00 O ATOM 0 H GLU A 51 -15.358 29.498 -1.618 1.00 0.00 H new ATOM 0 HA GLU A 51 -16.331 31.630 -3.383 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.012 30.721 -1.934 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -16.933 30.693 -0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -17.095 33.013 -0.194 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -17.431 33.362 -1.878 1.00 0.00 H new ATOM 851 N HIS A 52 -14.561 33.264 -2.779 1.00 0.00 N ATOM 852 CA HIS A 52 -13.624 34.318 -2.407 1.00 0.00 C ATOM 853 C HIS A 52 -14.367 35.612 -2.086 1.00 0.00 C ATOM 854 O HIS A 52 -13.760 36.602 -1.679 1.00 0.00 O ATOM 855 CB HIS A 52 -12.640 34.570 -3.551 1.00 0.00 C ATOM 856 CG HIS A 52 -11.438 33.678 -3.391 1.00 0.00 C ATOM 857 ND1 HIS A 52 -11.110 33.089 -2.180 1.00 0.00 N ATOM 858 CD2 HIS A 52 -10.477 33.268 -4.280 1.00 0.00 C ATOM 859 CE1 HIS A 52 -9.993 32.363 -2.373 1.00 0.00 C ATOM 860 NE2 HIS A 52 -9.565 32.438 -3.635 1.00 0.00 N ATOM 0 H HIS A 52 -14.819 33.253 -3.766 1.00 0.00 H new ATOM 0 HA HIS A 52 -13.080 33.994 -1.520 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -13.123 34.377 -4.509 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -12.331 35.615 -3.555 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -10.435 33.547 -5.322 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -9.503 31.789 -1.600 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -8.746 31.985 -4.040 1.00 0.00 H new ATOM 869 N HIS A 53 -15.682 35.597 -2.274 1.00 0.00 N ATOM 870 CA HIS A 53 -16.494 36.777 -2.001 1.00 0.00 C ATOM 871 C HIS A 53 -17.248 36.623 -0.685 1.00 0.00 C ATOM 872 O HIS A 53 -17.644 35.520 -0.310 1.00 0.00 O ATOM 873 CB HIS A 53 -17.491 36.998 -3.140 1.00 0.00 C ATOM 874 CG HIS A 53 -17.958 35.668 -3.663 1.00 0.00 C ATOM 875 ND1 HIS A 53 -17.088 34.747 -4.225 1.00 0.00 N ATOM 876 CD2 HIS A 53 -19.201 35.088 -3.715 1.00 0.00 C ATOM 877 CE1 HIS A 53 -17.813 33.672 -4.587 1.00 0.00 C ATOM 878 NE2 HIS A 53 -19.108 33.828 -4.299 1.00 0.00 N ATOM 0 H HIS A 53 -16.205 34.789 -2.611 1.00 0.00 H new ATOM 0 HA HIS A 53 -15.831 37.639 -1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -18.341 37.580 -2.785 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -17.024 37.572 -3.940 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -20.114 35.541 -3.357 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -17.398 32.791 -5.053 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -19.865 33.166 -4.470 1.00 0.00 H new ATOM 887 N HIS A 54 -17.443 37.738 0.012 1.00 0.00 N ATOM 888 CA HIS A 54 -18.152 37.721 1.286 1.00 0.00 C ATOM 889 C HIS A 54 -18.889 39.039 1.500 1.00 0.00 C ATOM 890 O HIS A 54 -18.906 39.900 0.620 1.00 0.00 O ATOM 891 CB HIS A 54 -17.165 37.493 2.433 1.00 0.00 C ATOM 892 CG HIS A 54 -17.854 36.760 3.551 1.00 0.00 C ATOM 893 ND1 HIS A 54 -19.168 36.328 3.455 1.00 0.00 N ATOM 894 CD2 HIS A 54 -17.424 36.374 4.797 1.00 0.00 C ATOM 895 CE1 HIS A 54 -19.478 35.711 4.609 1.00 0.00 C ATOM 896 NE2 HIS A 54 -18.451 35.711 5.462 1.00 0.00 N ATOM 0 H HIS A 54 -17.122 38.660 -0.282 1.00 0.00 H new ATOM 0 HA HIS A 54 -18.877 36.908 1.268 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -16.309 36.918 2.081 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -16.782 38.448 2.792 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -16.439 36.557 5.199 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -20.441 35.269 4.820 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -18.425 35.311 6.400 1.00 0.00 H new ATOM 905 N HIS A 55 -19.496 39.191 2.672 1.00 0.00 N ATOM 906 CA HIS A 55 -20.229 40.412 2.985 1.00 0.00 C ATOM 907 C HIS A 55 -19.333 41.633 2.804 1.00 0.00 C ATOM 908 O HIS A 55 -19.780 42.679 2.334 1.00 0.00 O ATOM 909 CB HIS A 55 -20.738 40.359 4.426 1.00 0.00 C ATOM 910 CG HIS A 55 -21.342 39.008 4.695 1.00 0.00 C ATOM 911 ND1 HIS A 55 -21.712 38.147 3.674 1.00 0.00 N ATOM 912 CD2 HIS A 55 -21.645 38.355 5.864 1.00 0.00 C ATOM 913 CE1 HIS A 55 -22.213 37.035 4.242 1.00 0.00 C ATOM 914 NE2 HIS A 55 -22.194 37.109 5.576 1.00 0.00 N ATOM 0 H HIS A 55 -19.496 38.491 3.414 1.00 0.00 H new ATOM 0 HA HIS A 55 -21.076 40.492 2.304 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -19.919 40.547 5.120 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -21.480 41.140 4.590 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -21.482 38.749 6.856 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -22.585 36.186 3.687 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -22.513 36.404 6.240 1.00 0.00 H new ATOM 923 N HIS A 56 -18.067 41.490 3.177 1.00 0.00 N ATOM 924 CA HIS A 56 -17.114 42.586 3.051 1.00 0.00 C ATOM 925 C HIS A 56 -16.318 42.455 1.756 1.00 0.00 C ATOM 926 O HIS A 56 -15.879 41.363 1.395 1.00 0.00 O ATOM 927 CB HIS A 56 -16.156 42.585 4.244 1.00 0.00 C ATOM 928 CG HIS A 56 -16.908 42.956 5.493 1.00 0.00 C ATOM 929 ND1 HIS A 56 -17.646 44.125 5.590 1.00 0.00 N ATOM 930 CD2 HIS A 56 -17.045 42.325 6.704 1.00 0.00 C ATOM 931 CE1 HIS A 56 -18.190 44.162 6.820 1.00 0.00 C ATOM 932 NE2 HIS A 56 -17.855 43.088 7.540 1.00 0.00 N ATOM 0 H HIS A 56 -17.678 40.631 3.567 1.00 0.00 H new ATOM 0 HA HIS A 56 -17.667 43.525 3.032 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -15.703 41.600 4.359 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -15.344 43.292 4.072 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -16.593 41.380 6.968 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -18.820 44.962 7.181 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -18.133 42.873 8.497 1.00 0.00 H new ATOM 941 N HIS A 57 -16.136 43.573 1.062 1.00 0.00 N ATOM 942 CA HIS A 57 -15.391 43.568 -0.193 1.00 0.00 C ATOM 943 C HIS A 57 -15.737 42.331 -1.015 1.00 0.00 C ATOM 944 O HIS A 57 -16.333 42.434 -2.086 1.00 0.00 O ATOM 945 CB HIS A 57 -13.889 43.590 0.093 1.00 0.00 C ATOM 946 CG HIS A 57 -13.595 44.622 1.146 1.00 0.00 C ATOM 947 ND1 HIS A 57 -13.637 45.981 0.882 1.00 0.00 N ATOM 948 CD2 HIS A 57 -13.256 44.508 2.472 1.00 0.00 C ATOM 949 CE1 HIS A 57 -13.332 46.626 2.022 1.00 0.00 C ATOM 950 NE2 HIS A 57 -13.089 45.775 3.023 1.00 0.00 N ATOM 0 H HIS A 57 -16.490 44.487 1.343 1.00 0.00 H new ATOM 0 HA HIS A 57 -15.665 44.456 -0.762 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -13.557 42.607 0.429 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -13.337 43.818 -0.819 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -13.137 43.577 3.006 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -13.289 47.701 2.117 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -12.836 46.005 3.984 1.00 0.00 H new TER 959 HIS A 57