USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 451 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 18 GLN : amide:sc= 0 X(o=0,f=0.029) USER MOD Set 1.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl -168:sc=-0.00366 (180deg=-0.193) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 178:sc= -1.7 (180deg=-1.72) USER MOD Single : A 9 ASN : amide:sc= -0.202 X(o=-0.2,f=-0.27) USER MOD Single : A 14 ASN : amide:sc= -0.0669 K(o=-0.067,f=-1.7!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.00424 USER MOD Single : A 28 GLN : amide:sc= 1.14 K(o=1.1,f=-0.25) USER MOD Single : A 30 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.112 X(o=-0.11,f=-0.11) USER MOD Single : A 44 ASN :FLIP amide:sc=-0.00949 F(o=-0.68,f=-0.0095) USER MOD Single : A 48 THR OG1 : rot 51:sc= 0.614 USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 61 GLN : amide:sc= -0.885 K(o=-0.89,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.126 -0.555 2.689 1.00 0.00 N ATOM 2 CA MET A 1 -26.134 -0.074 1.305 1.00 0.00 C ATOM 3 C MET A 1 -25.583 1.345 1.300 1.00 0.00 C ATOM 4 O MET A 1 -26.329 2.310 1.466 1.00 0.00 O ATOM 5 CB MET A 1 -27.538 -0.177 0.688 1.00 0.00 C ATOM 6 CG MET A 1 -27.531 0.048 -0.825 1.00 0.00 C ATOM 7 SD MET A 1 -29.159 -0.126 -1.618 1.00 0.00 S ATOM 8 CE MET A 1 -29.426 -1.909 -1.425 1.00 0.00 C ATOM 0 H1 MET A 1 -26.499 -1.525 2.721 1.00 0.00 H new ATOM 0 H2 MET A 1 -25.152 -0.546 3.054 1.00 0.00 H new ATOM 0 H3 MET A 1 -26.721 0.064 3.275 1.00 0.00 H new ATOM 0 HA MET A 1 -25.499 -0.699 0.677 1.00 0.00 H new ATOM 0 HB2 MET A 1 -27.955 -1.161 0.904 1.00 0.00 H new ATOM 0 HB3 MET A 1 -28.193 0.557 1.158 1.00 0.00 H new ATOM 0 HG2 MET A 1 -27.146 1.047 -1.030 1.00 0.00 H new ATOM 0 HG3 MET A 1 -26.840 -0.660 -1.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 -30.271 -2.219 -2.039 1.00 0.00 H new ATOM 0 HE2 MET A 1 -28.532 -2.447 -1.740 1.00 0.00 H new ATOM 0 HE3 MET A 1 -29.635 -2.134 -0.379 1.00 0.00 H new ATOM 18 N GLU A 2 -24.261 1.469 1.226 1.00 0.00 N ATOM 19 CA GLU A 2 -23.520 2.716 1.202 1.00 0.00 C ATOM 20 C GLU A 2 -22.268 2.447 0.393 1.00 0.00 C ATOM 21 O GLU A 2 -21.505 1.525 0.698 1.00 0.00 O ATOM 22 CB GLU A 2 -23.104 3.159 2.613 1.00 0.00 C ATOM 23 CG GLU A 2 -24.248 3.778 3.419 1.00 0.00 C ATOM 24 CD GLU A 2 -23.790 4.138 4.823 1.00 0.00 C ATOM 25 OE1 GLU A 2 -23.358 3.222 5.565 1.00 0.00 O ATOM 26 OE2 GLU A 2 -23.886 5.324 5.218 1.00 0.00 O ATOM 0 H GLU A 2 -23.649 0.654 1.179 1.00 0.00 H new ATOM 0 HA GLU A 2 -24.139 3.507 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -22.712 2.298 3.155 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -22.292 3.882 2.534 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -24.614 4.671 2.912 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -25.081 3.077 3.472 1.00 0.00 H new ATOM 33 N GLU A 3 -22.085 3.232 -0.657 1.00 0.00 N ATOM 34 CA GLU A 3 -20.952 3.147 -1.544 1.00 0.00 C ATOM 35 C GLU A 3 -19.994 4.235 -1.074 1.00 0.00 C ATOM 36 O GLU A 3 -20.353 5.416 -0.991 1.00 0.00 O ATOM 37 CB GLU A 3 -21.407 3.309 -2.993 1.00 0.00 C ATOM 38 CG GLU A 3 -22.421 2.222 -3.389 1.00 0.00 C ATOM 39 CD GLU A 3 -23.852 2.446 -2.885 1.00 0.00 C ATOM 40 OE1 GLU A 3 -24.385 3.570 -3.015 1.00 0.00 O ATOM 41 OE2 GLU A 3 -24.499 1.468 -2.439 1.00 0.00 O ATOM 0 H GLU A 3 -22.745 3.965 -0.917 1.00 0.00 H new ATOM 0 HA GLU A 3 -20.451 2.179 -1.517 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -21.856 4.293 -3.127 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -20.542 3.260 -3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -22.444 2.148 -4.476 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -22.066 1.263 -3.012 1.00 0.00 H new ATOM 48 N VAL A 4 -18.788 3.827 -0.711 1.00 0.00 N ATOM 49 CA VAL A 4 -17.724 4.671 -0.207 1.00 0.00 C ATOM 50 C VAL A 4 -16.526 4.588 -1.149 1.00 0.00 C ATOM 51 O VAL A 4 -16.539 3.836 -2.130 1.00 0.00 O ATOM 52 CB VAL A 4 -17.387 4.239 1.236 1.00 0.00 C ATOM 53 CG1 VAL A 4 -18.538 4.562 2.201 1.00 0.00 C ATOM 54 CG2 VAL A 4 -17.039 2.751 1.361 1.00 0.00 C ATOM 0 H VAL A 4 -18.514 2.846 -0.764 1.00 0.00 H new ATOM 0 HA VAL A 4 -18.030 5.716 -0.173 1.00 0.00 H new ATOM 0 HB VAL A 4 -16.501 4.814 1.505 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -18.268 4.245 3.208 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -18.726 5.636 2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -19.438 4.035 1.884 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -16.813 2.516 2.401 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -17.886 2.150 1.029 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -16.171 2.527 0.742 1.00 0.00 H new ATOM 64 N THR A 5 -15.511 5.402 -0.881 1.00 0.00 N ATOM 65 CA THR A 5 -14.292 5.453 -1.666 1.00 0.00 C ATOM 66 C THR A 5 -13.132 5.403 -0.669 1.00 0.00 C ATOM 67 O THR A 5 -13.178 6.090 0.358 1.00 0.00 O ATOM 68 CB THR A 5 -14.287 6.707 -2.563 1.00 0.00 C ATOM 69 OG1 THR A 5 -15.547 6.870 -3.215 1.00 0.00 O ATOM 70 CG2 THR A 5 -13.184 6.628 -3.615 1.00 0.00 C ATOM 0 H THR A 5 -15.516 6.055 -0.097 1.00 0.00 H new ATOM 0 HA THR A 5 -14.203 4.613 -2.354 1.00 0.00 H new ATOM 0 HB THR A 5 -14.101 7.566 -1.918 1.00 0.00 H new ATOM 0 HG1 THR A 5 -15.523 7.672 -3.778 1.00 0.00 H new ATOM 0 HG21 THR A 5 -13.205 7.526 -4.233 1.00 0.00 H new ATOM 0 HG22 THR A 5 -12.215 6.550 -3.121 1.00 0.00 H new ATOM 0 HG23 THR A 5 -13.343 5.752 -4.243 1.00 0.00 H new ATOM 78 N ILE A 6 -12.126 4.571 -0.940 1.00 0.00 N ATOM 79 CA ILE A 6 -10.947 4.404 -0.091 1.00 0.00 C ATOM 80 C ILE A 6 -9.717 4.749 -0.941 1.00 0.00 C ATOM 81 O ILE A 6 -9.508 4.175 -2.014 1.00 0.00 O ATOM 82 CB ILE A 6 -10.905 2.995 0.540 1.00 0.00 C ATOM 83 CG1 ILE A 6 -12.224 2.630 1.267 1.00 0.00 C ATOM 84 CG2 ILE A 6 -9.717 2.912 1.512 1.00 0.00 C ATOM 85 CD1 ILE A 6 -12.208 1.260 1.960 1.00 0.00 C ATOM 0 H ILE A 6 -12.108 3.983 -1.773 1.00 0.00 H new ATOM 0 HA ILE A 6 -10.974 5.079 0.764 1.00 0.00 H new ATOM 0 HB ILE A 6 -10.782 2.271 -0.266 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -12.439 3.397 2.011 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -13.040 2.649 0.545 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -9.683 1.919 1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.790 3.098 0.970 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -9.835 3.660 2.296 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -13.169 1.085 2.443 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -12.027 0.480 1.220 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -11.417 1.240 2.709 1.00 0.00 H new ATOM 97 N LYS A 7 -8.898 5.692 -0.466 1.00 0.00 N ATOM 98 CA LYS A 7 -7.705 6.186 -1.132 1.00 0.00 C ATOM 99 C LYS A 7 -6.480 5.420 -0.652 1.00 0.00 C ATOM 100 O LYS A 7 -5.928 5.716 0.412 1.00 0.00 O ATOM 101 CB LYS A 7 -7.606 7.708 -0.893 1.00 0.00 C ATOM 102 CG LYS A 7 -6.884 8.426 -2.047 1.00 0.00 C ATOM 103 CD LYS A 7 -5.670 9.242 -1.603 1.00 0.00 C ATOM 104 CE LYS A 7 -4.584 8.357 -0.998 1.00 0.00 C ATOM 105 NZ LYS A 7 -4.033 7.406 -1.980 1.00 0.00 N ATOM 0 H LYS A 7 -9.062 6.147 0.432 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.760 6.021 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.607 8.123 -0.778 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -7.074 7.895 0.040 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -6.564 7.685 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.590 9.087 -2.550 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.264 9.784 -2.457 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.981 9.988 -0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.781 8.983 -0.610 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -4.995 7.806 -0.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.276 6.848 -1.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.787 6.768 -2.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.647 7.930 -2.792 1.00 0.00 H new ATOM 119 N ALA A 8 -6.050 4.413 -1.406 1.00 0.00 N ATOM 120 CA ALA A 8 -4.887 3.608 -1.068 1.00 0.00 C ATOM 121 C ALA A 8 -3.615 4.262 -1.612 1.00 0.00 C ATOM 122 O ALA A 8 -3.545 4.678 -2.768 1.00 0.00 O ATOM 123 CB ALA A 8 -5.070 2.177 -1.575 1.00 0.00 C ATOM 0 H ALA A 8 -6.504 4.133 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 8 -4.783 3.555 0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -4.193 1.584 -1.316 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.954 1.738 -1.113 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -5.194 2.188 -2.658 1.00 0.00 H new ATOM 129 N ASN A 9 -2.640 4.474 -0.734 1.00 0.00 N ATOM 130 CA ASN A 9 -1.329 5.054 -1.011 1.00 0.00 C ATOM 131 C ASN A 9 -0.398 3.859 -1.068 1.00 0.00 C ATOM 132 O ASN A 9 -0.463 3.025 -0.164 1.00 0.00 O ATOM 133 CB ASN A 9 -0.813 5.962 0.121 1.00 0.00 C ATOM 134 CG ASN A 9 -1.659 7.184 0.417 1.00 0.00 C ATOM 135 OD1 ASN A 9 -1.290 8.302 0.094 1.00 0.00 O ATOM 136 ND2 ASN A 9 -2.803 7.022 1.055 1.00 0.00 N ATOM 0 H ASN A 9 -2.750 4.231 0.250 1.00 0.00 H new ATOM 0 HA ASN A 9 -1.381 5.661 -1.915 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -0.734 5.368 1.031 1.00 0.00 H new ATOM 0 HB3 ASN A 9 0.194 6.292 -0.133 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -3.381 7.832 1.279 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -3.109 6.087 1.324 1.00 0.00 H new ATOM 143 N LEU A 10 0.438 3.753 -2.093 1.00 0.00 N ATOM 144 CA LEU A 10 1.383 2.663 -2.264 1.00 0.00 C ATOM 145 C LEU A 10 2.761 3.303 -2.377 1.00 0.00 C ATOM 146 O LEU A 10 3.006 4.077 -3.302 1.00 0.00 O ATOM 147 CB LEU A 10 0.994 1.846 -3.503 1.00 0.00 C ATOM 148 CG LEU A 10 -0.326 1.062 -3.312 1.00 0.00 C ATOM 149 CD1 LEU A 10 -1.326 1.346 -4.438 1.00 0.00 C ATOM 150 CD2 LEU A 10 -0.059 -0.440 -3.211 1.00 0.00 C ATOM 0 H LEU A 10 0.477 4.441 -2.845 1.00 0.00 H new ATOM 0 HA LEU A 10 1.383 1.964 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.894 2.515 -4.357 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.796 1.147 -3.738 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.769 1.405 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.239 0.776 -4.266 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.561 2.410 -4.456 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -0.891 1.054 -5.394 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.003 -0.969 -3.077 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.424 -0.786 -4.125 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.592 -0.637 -2.359 1.00 0.00 H new ATOM 162 N ILE A 11 3.640 3.048 -1.413 1.00 0.00 N ATOM 163 CA ILE A 11 4.997 3.581 -1.368 1.00 0.00 C ATOM 164 C ILE A 11 5.914 2.372 -1.537 1.00 0.00 C ATOM 165 O ILE A 11 5.679 1.338 -0.904 1.00 0.00 O ATOM 166 CB ILE A 11 5.243 4.369 -0.058 1.00 0.00 C ATOM 167 CG1 ILE A 11 4.169 5.451 0.232 1.00 0.00 C ATOM 168 CG2 ILE A 11 6.635 5.029 -0.110 1.00 0.00 C ATOM 169 CD1 ILE A 11 3.001 4.944 1.092 1.00 0.00 C ATOM 0 H ILE A 11 3.421 2.447 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 11 5.188 4.308 -2.158 1.00 0.00 H new ATOM 0 HB ILE A 11 5.182 3.646 0.755 1.00 0.00 H new ATOM 0 HG12 ILE A 11 4.641 6.294 0.736 1.00 0.00 H new ATOM 0 HG13 ILE A 11 3.777 5.825 -0.714 1.00 0.00 H new ATOM 0 HG21 ILE A 11 6.809 5.584 0.812 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.399 4.259 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 11 6.683 5.711 -0.959 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.290 5.754 1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.503 4.121 0.580 1.00 0.00 H new ATOM 0 HD13 ILE A 11 3.381 4.597 2.053 1.00 0.00 H new ATOM 181 N PHE A 12 6.929 2.479 -2.399 1.00 0.00 N ATOM 182 CA PHE A 12 7.858 1.387 -2.663 1.00 0.00 C ATOM 183 C PHE A 12 9.274 1.770 -2.253 1.00 0.00 C ATOM 184 O PHE A 12 9.671 2.935 -2.368 1.00 0.00 O ATOM 185 CB PHE A 12 7.814 1.024 -4.157 1.00 0.00 C ATOM 186 CG PHE A 12 6.433 0.742 -4.728 1.00 0.00 C ATOM 187 CD1 PHE A 12 5.580 -0.197 -4.116 1.00 0.00 C ATOM 188 CD2 PHE A 12 6.003 1.410 -5.892 1.00 0.00 C ATOM 189 CE1 PHE A 12 4.306 -0.455 -4.655 1.00 0.00 C ATOM 190 CE2 PHE A 12 4.735 1.144 -6.436 1.00 0.00 C ATOM 191 CZ PHE A 12 3.882 0.218 -5.813 1.00 0.00 C ATOM 0 H PHE A 12 7.126 3.327 -2.931 1.00 0.00 H new ATOM 0 HA PHE A 12 7.559 0.521 -2.073 1.00 0.00 H new ATOM 0 HB2 PHE A 12 8.261 1.841 -4.724 1.00 0.00 H new ATOM 0 HB3 PHE A 12 8.439 0.146 -4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.905 -0.721 -3.229 1.00 0.00 H new ATOM 0 HD2 PHE A 12 6.652 2.130 -6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 12 3.653 -1.171 -4.178 1.00 0.00 H new ATOM 0 HE2 PHE A 12 4.416 1.652 -7.334 1.00 0.00 H new ATOM 0 HZ PHE A 12 2.902 0.024 -6.223 1.00 0.00 H new ATOM 201 N ALA A 13 10.069 0.777 -1.840 1.00 0.00 N ATOM 202 CA ALA A 13 11.459 0.951 -1.428 1.00 0.00 C ATOM 203 C ALA A 13 12.284 1.542 -2.575 1.00 0.00 C ATOM 204 O ALA A 13 13.284 2.217 -2.329 1.00 0.00 O ATOM 205 CB ALA A 13 12.048 -0.389 -0.974 1.00 0.00 C ATOM 0 H ALA A 13 9.753 -0.191 -1.783 1.00 0.00 H new ATOM 0 HA ALA A 13 11.492 1.645 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 13 13.085 -0.246 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 13 11.472 -0.773 -0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 13 12.007 -1.102 -1.797 1.00 0.00 H new ATOM 211 N ASN A 14 11.860 1.331 -3.827 1.00 0.00 N ATOM 212 CA ASN A 14 12.510 1.848 -5.029 1.00 0.00 C ATOM 213 C ASN A 14 12.714 3.368 -4.947 1.00 0.00 C ATOM 214 O ASN A 14 13.701 3.891 -5.469 1.00 0.00 O ATOM 215 CB ASN A 14 11.627 1.527 -6.248 1.00 0.00 C ATOM 216 CG ASN A 14 12.172 2.192 -7.509 1.00 0.00 C ATOM 217 OD1 ASN A 14 11.873 3.351 -7.787 1.00 0.00 O ATOM 218 ND2 ASN A 14 13.003 1.499 -8.266 1.00 0.00 N ATOM 0 H ASN A 14 11.028 0.778 -4.034 1.00 0.00 H new ATOM 0 HA ASN A 14 13.488 1.376 -5.122 1.00 0.00 H new ATOM 0 HB2 ASN A 14 11.580 0.448 -6.393 1.00 0.00 H new ATOM 0 HB3 ASN A 14 10.608 1.869 -6.064 1.00 0.00 H new ATOM 0 HD21 ASN A 14 13.410 1.925 -9.099 1.00 0.00 H new ATOM 0 HD22 ASN A 14 13.238 0.538 -8.018 1.00 0.00 H new ATOM 225 N GLY A 15 11.794 4.072 -4.286 1.00 0.00 N ATOM 226 CA GLY A 15 11.789 5.519 -4.114 1.00 0.00 C ATOM 227 C GLY A 15 10.502 6.079 -4.715 1.00 0.00 C ATOM 228 O GLY A 15 10.017 7.125 -4.283 1.00 0.00 O ATOM 0 H GLY A 15 10.996 3.624 -3.836 1.00 0.00 H new ATOM 0 HA2 GLY A 15 11.854 5.774 -3.056 1.00 0.00 H new ATOM 0 HA3 GLY A 15 12.658 5.961 -4.603 1.00 0.00 H new ATOM 232 N SER A 16 9.932 5.384 -5.709 1.00 0.00 N ATOM 233 CA SER A 16 8.700 5.821 -6.330 1.00 0.00 C ATOM 234 C SER A 16 7.506 5.545 -5.405 1.00 0.00 C ATOM 235 O SER A 16 7.597 4.854 -4.383 1.00 0.00 O ATOM 236 CB SER A 16 8.523 5.217 -7.723 1.00 0.00 C ATOM 237 OG SER A 16 7.787 6.131 -8.518 1.00 0.00 O ATOM 0 H SER A 16 10.314 4.519 -6.091 1.00 0.00 H new ATOM 0 HA SER A 16 8.752 6.900 -6.478 1.00 0.00 H new ATOM 0 HB2 SER A 16 9.494 5.017 -8.176 1.00 0.00 H new ATOM 0 HB3 SER A 16 7.999 4.263 -7.659 1.00 0.00 H new ATOM 0 HG SER A 16 7.666 5.759 -9.417 1.00 0.00 H new ATOM 243 N THR A 17 6.375 6.108 -5.802 1.00 0.00 N ATOM 244 CA THR A 17 5.086 6.049 -5.133 1.00 0.00 C ATOM 245 C THR A 17 4.005 5.821 -6.191 1.00 0.00 C ATOM 246 O THR A 17 4.214 6.097 -7.379 1.00 0.00 O ATOM 247 CB THR A 17 4.870 7.362 -4.353 1.00 0.00 C ATOM 248 OG1 THR A 17 5.329 8.482 -5.090 1.00 0.00 O ATOM 249 CG2 THR A 17 5.609 7.370 -3.018 1.00 0.00 C ATOM 0 H THR A 17 6.332 6.657 -6.661 1.00 0.00 H new ATOM 0 HA THR A 17 5.042 5.227 -4.418 1.00 0.00 H new ATOM 0 HB THR A 17 3.795 7.425 -4.182 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.177 9.299 -4.571 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.426 8.315 -2.506 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.251 6.547 -2.399 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.678 7.254 -3.193 1.00 0.00 H new ATOM 257 N GLN A 18 2.834 5.337 -5.782 1.00 0.00 N ATOM 258 CA GLN A 18 1.712 5.046 -6.654 1.00 0.00 C ATOM 259 C GLN A 18 0.415 5.336 -5.884 1.00 0.00 C ATOM 260 O GLN A 18 0.339 5.112 -4.673 1.00 0.00 O ATOM 261 CB GLN A 18 1.902 3.593 -7.129 1.00 0.00 C ATOM 262 CG GLN A 18 1.038 3.154 -8.312 1.00 0.00 C ATOM 263 CD GLN A 18 1.725 2.010 -9.061 1.00 0.00 C ATOM 264 OE1 GLN A 18 2.498 2.242 -9.989 1.00 0.00 O ATOM 265 NE2 GLN A 18 1.522 0.765 -8.668 1.00 0.00 N ATOM 0 H GLN A 18 2.640 5.132 -4.802 1.00 0.00 H new ATOM 0 HA GLN A 18 1.653 5.669 -7.547 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.949 3.454 -7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.698 2.928 -6.290 1.00 0.00 H new ATOM 0 HG2 GLN A 18 0.058 2.833 -7.959 1.00 0.00 H new ATOM 0 HG3 GLN A 18 0.874 3.995 -8.986 1.00 0.00 H new ATOM 0 HE21 GLN A 18 0.881 0.571 -7.898 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.006 -0.002 -9.134 1.00 0.00 H new ATOM 274 N THR A 19 -0.614 5.825 -6.576 1.00 0.00 N ATOM 275 CA THR A 19 -1.905 6.178 -5.992 1.00 0.00 C ATOM 276 C THR A 19 -3.020 5.340 -6.582 1.00 0.00 C ATOM 277 O THR A 19 -3.046 5.041 -7.775 1.00 0.00 O ATOM 278 CB THR A 19 -2.200 7.662 -6.222 1.00 0.00 C ATOM 279 OG1 THR A 19 -1.144 8.427 -5.675 1.00 0.00 O ATOM 280 CG2 THR A 19 -3.525 8.170 -5.631 1.00 0.00 C ATOM 0 H THR A 19 -0.571 5.990 -7.582 1.00 0.00 H new ATOM 0 HA THR A 19 -1.854 5.979 -4.922 1.00 0.00 H new ATOM 0 HB THR A 19 -2.291 7.777 -7.302 1.00 0.00 H new ATOM 0 HG1 THR A 19 -1.322 9.380 -5.818 1.00 0.00 H new ATOM 0 HG21 THR A 19 -3.637 9.232 -5.850 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.355 7.619 -6.072 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.523 8.020 -4.551 1.00 0.00 H new ATOM 288 N ALA A 20 -3.922 4.932 -5.705 1.00 0.00 N ATOM 289 CA ALA A 20 -5.090 4.143 -6.017 1.00 0.00 C ATOM 290 C ALA A 20 -6.277 4.695 -5.227 1.00 0.00 C ATOM 291 O ALA A 20 -6.108 5.275 -4.147 1.00 0.00 O ATOM 292 CB ALA A 20 -4.820 2.667 -5.717 1.00 0.00 C ATOM 0 H ALA A 20 -3.852 5.155 -4.712 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.329 4.208 -7.078 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -5.706 2.079 -5.955 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -3.982 2.320 -6.321 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -4.579 2.549 -4.661 1.00 0.00 H new ATOM 298 N GLU A 21 -7.472 4.501 -5.770 1.00 0.00 N ATOM 299 CA GLU A 21 -8.756 4.918 -5.232 1.00 0.00 C ATOM 300 C GLU A 21 -9.742 3.815 -5.597 1.00 0.00 C ATOM 301 O GLU A 21 -10.027 3.600 -6.778 1.00 0.00 O ATOM 302 CB GLU A 21 -9.202 6.261 -5.826 1.00 0.00 C ATOM 303 CG GLU A 21 -8.310 7.397 -5.323 1.00 0.00 C ATOM 304 CD GLU A 21 -8.869 8.761 -5.697 1.00 0.00 C ATOM 305 OE1 GLU A 21 -8.710 9.143 -6.881 1.00 0.00 O ATOM 306 OE2 GLU A 21 -9.389 9.450 -4.789 1.00 0.00 O ATOM 0 H GLU A 21 -7.574 4.014 -6.660 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.697 5.065 -4.154 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.161 6.215 -6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.239 6.458 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.211 7.329 -4.240 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.310 7.287 -5.742 1.00 0.00 H new ATOM 313 N PHE A 22 -10.194 3.060 -4.601 1.00 0.00 N ATOM 314 CA PHE A 22 -11.147 1.972 -4.773 1.00 0.00 C ATOM 315 C PHE A 22 -12.528 2.507 -4.407 1.00 0.00 C ATOM 316 O PHE A 22 -12.640 3.359 -3.524 1.00 0.00 O ATOM 317 CB PHE A 22 -10.730 0.791 -3.896 1.00 0.00 C ATOM 318 CG PHE A 22 -9.425 0.167 -4.358 1.00 0.00 C ATOM 319 CD1 PHE A 22 -9.442 -0.779 -5.398 1.00 0.00 C ATOM 320 CD2 PHE A 22 -8.191 0.581 -3.816 1.00 0.00 C ATOM 321 CE1 PHE A 22 -8.243 -1.316 -5.892 1.00 0.00 C ATOM 322 CE2 PHE A 22 -6.991 0.032 -4.302 1.00 0.00 C ATOM 323 CZ PHE A 22 -7.016 -0.914 -5.342 1.00 0.00 C ATOM 0 H PHE A 22 -9.901 3.191 -3.633 1.00 0.00 H new ATOM 0 HA PHE A 22 -11.171 1.613 -5.802 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -10.625 1.126 -2.864 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -11.516 0.036 -3.908 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -10.385 -1.095 -5.820 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -8.167 1.319 -3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -8.265 -2.038 -6.695 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -6.047 0.338 -3.875 1.00 0.00 H new ATOM 0 HZ PHE A 22 -6.093 -1.330 -5.717 1.00 0.00 H new ATOM 333 N GLN A 23 -13.567 2.019 -5.080 1.00 0.00 N ATOM 334 CA GLN A 23 -14.955 2.416 -4.887 1.00 0.00 C ATOM 335 C GLN A 23 -15.848 1.197 -4.722 1.00 0.00 C ATOM 336 O GLN A 23 -15.639 0.179 -5.388 1.00 0.00 O ATOM 337 CB GLN A 23 -15.465 3.132 -6.144 1.00 0.00 C ATOM 338 CG GLN A 23 -14.875 4.516 -6.405 1.00 0.00 C ATOM 339 CD GLN A 23 -15.472 5.095 -7.682 1.00 0.00 C ATOM 340 OE1 GLN A 23 -16.686 5.087 -7.880 1.00 0.00 O ATOM 341 NE2 GLN A 23 -14.646 5.611 -8.573 1.00 0.00 N ATOM 0 H GLN A 23 -13.458 1.308 -5.803 1.00 0.00 H new ATOM 0 HA GLN A 23 -14.990 3.053 -4.003 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -15.258 2.501 -7.008 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -16.548 3.227 -6.071 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -15.083 5.176 -5.563 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -13.791 4.449 -6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -13.641 5.612 -8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -15.012 6.009 -9.438 1.00 0.00 H new ATOM 350 N GLY A 24 -16.920 1.365 -3.957 1.00 0.00 N ATOM 351 CA GLY A 24 -17.909 0.337 -3.692 1.00 0.00 C ATOM 352 C GLY A 24 -18.174 0.260 -2.205 1.00 0.00 C ATOM 353 O GLY A 24 -17.954 1.229 -1.475 1.00 0.00 O ATOM 0 H GLY A 24 -17.128 2.249 -3.492 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -18.833 0.561 -4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -17.555 -0.626 -4.059 1.00 0.00 H new ATOM 357 N THR A 25 -18.742 -0.855 -1.764 1.00 0.00 N ATOM 358 CA THR A 25 -19.019 -1.055 -0.351 1.00 0.00 C ATOM 359 C THR A 25 -17.677 -1.038 0.392 1.00 0.00 C ATOM 360 O THR A 25 -16.640 -1.392 -0.184 1.00 0.00 O ATOM 361 CB THR A 25 -19.826 -2.350 -0.147 1.00 0.00 C ATOM 362 OG1 THR A 25 -19.328 -3.440 -0.909 1.00 0.00 O ATOM 363 CG2 THR A 25 -21.284 -2.126 -0.549 1.00 0.00 C ATOM 0 H THR A 25 -19.019 -1.632 -2.364 1.00 0.00 H new ATOM 0 HA THR A 25 -19.641 -0.259 0.057 1.00 0.00 H new ATOM 0 HB THR A 25 -19.737 -2.600 0.910 1.00 0.00 H new ATOM 0 HG1 THR A 25 -19.876 -4.235 -0.740 1.00 0.00 H new ATOM 0 HG21 THR A 25 -21.848 -3.047 -0.402 1.00 0.00 H new ATOM 0 HG22 THR A 25 -21.714 -1.335 0.066 1.00 0.00 H new ATOM 0 HG23 THR A 25 -21.332 -1.836 -1.599 1.00 0.00 H new ATOM 371 N PHE A 26 -17.674 -0.617 1.660 1.00 0.00 N ATOM 372 CA PHE A 26 -16.453 -0.547 2.458 1.00 0.00 C ATOM 373 C PHE A 26 -15.763 -1.910 2.492 1.00 0.00 C ATOM 374 O PHE A 26 -14.556 -2.011 2.254 1.00 0.00 O ATOM 375 CB PHE A 26 -16.775 -0.040 3.869 1.00 0.00 C ATOM 376 CG PHE A 26 -15.545 0.180 4.720 1.00 0.00 C ATOM 377 CD1 PHE A 26 -14.774 1.346 4.553 1.00 0.00 C ATOM 378 CD2 PHE A 26 -15.171 -0.778 5.682 1.00 0.00 C ATOM 379 CE1 PHE A 26 -13.634 1.554 5.343 1.00 0.00 C ATOM 380 CE2 PHE A 26 -14.028 -0.568 6.470 1.00 0.00 C ATOM 381 CZ PHE A 26 -13.264 0.598 6.300 1.00 0.00 C ATOM 0 H PHE A 26 -18.513 -0.318 2.157 1.00 0.00 H new ATOM 0 HA PHE A 26 -15.763 0.160 1.998 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.329 0.896 3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -17.428 -0.758 4.365 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.061 2.081 3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -15.762 -1.672 5.813 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.042 2.448 5.215 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.737 -1.303 7.206 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.387 0.759 6.909 1.00 0.00 H new ATOM 391 N GLU A 27 -16.544 -2.965 2.725 1.00 0.00 N ATOM 392 CA GLU A 27 -16.063 -4.334 2.786 1.00 0.00 C ATOM 393 C GLU A 27 -15.355 -4.726 1.485 1.00 0.00 C ATOM 394 O GLU A 27 -14.290 -5.350 1.532 1.00 0.00 O ATOM 395 CB GLU A 27 -17.240 -5.274 3.098 1.00 0.00 C ATOM 396 CG GLU A 27 -17.659 -5.137 4.571 1.00 0.00 C ATOM 397 CD GLU A 27 -19.009 -5.776 4.901 1.00 0.00 C ATOM 398 OE1 GLU A 27 -20.006 -5.562 4.175 1.00 0.00 O ATOM 399 OE2 GLU A 27 -19.107 -6.418 5.978 1.00 0.00 O ATOM 0 H GLU A 27 -17.549 -2.884 2.879 1.00 0.00 H new ATOM 0 HA GLU A 27 -15.327 -4.422 3.585 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -18.084 -5.038 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -16.956 -6.305 2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -16.892 -5.590 5.199 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -17.698 -4.079 4.829 1.00 0.00 H new ATOM 406 N GLN A 28 -15.932 -4.380 0.333 1.00 0.00 N ATOM 407 CA GLN A 28 -15.388 -4.678 -0.984 1.00 0.00 C ATOM 408 C GLN A 28 -14.086 -3.917 -1.227 1.00 0.00 C ATOM 409 O GLN A 28 -13.048 -4.549 -1.436 1.00 0.00 O ATOM 410 CB GLN A 28 -16.460 -4.369 -2.043 1.00 0.00 C ATOM 411 CG GLN A 28 -16.031 -4.631 -3.491 1.00 0.00 C ATOM 412 CD GLN A 28 -15.619 -6.073 -3.783 1.00 0.00 C ATOM 413 OE1 GLN A 28 -16.103 -7.020 -3.165 1.00 0.00 O ATOM 414 NE2 GLN A 28 -14.696 -6.274 -4.704 1.00 0.00 N ATOM 0 H GLN A 28 -16.815 -3.871 0.294 1.00 0.00 H new ATOM 0 HA GLN A 28 -15.133 -5.736 -1.051 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -17.345 -4.967 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -16.752 -3.323 -1.949 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -16.853 -4.361 -4.154 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.197 -3.973 -3.733 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -14.301 -5.482 -5.211 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -14.378 -7.221 -4.909 1.00 0.00 H new ATOM 423 N ALA A 29 -14.136 -2.583 -1.169 1.00 0.00 N ATOM 424 CA ALA A 29 -12.988 -1.714 -1.395 1.00 0.00 C ATOM 425 C ALA A 29 -11.793 -2.105 -0.523 1.00 0.00 C ATOM 426 O ALA A 29 -10.647 -2.046 -0.979 1.00 0.00 O ATOM 427 CB ALA A 29 -13.407 -0.255 -1.173 1.00 0.00 C ATOM 0 H ALA A 29 -14.993 -2.072 -0.959 1.00 0.00 H new ATOM 0 HA ALA A 29 -12.656 -1.832 -2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.551 0.399 -1.341 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.204 0.005 -1.869 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.764 -0.130 -0.151 1.00 0.00 H new ATOM 433 N THR A 30 -12.033 -2.518 0.724 1.00 0.00 N ATOM 434 CA THR A 30 -10.959 -2.917 1.620 1.00 0.00 C ATOM 435 C THR A 30 -10.194 -4.114 1.022 1.00 0.00 C ATOM 436 O THR A 30 -8.968 -4.038 0.882 1.00 0.00 O ATOM 437 CB THR A 30 -11.531 -3.213 3.018 1.00 0.00 C ATOM 438 OG1 THR A 30 -12.223 -2.094 3.539 1.00 0.00 O ATOM 439 CG2 THR A 30 -10.435 -3.557 4.028 1.00 0.00 C ATOM 0 H THR A 30 -12.966 -2.583 1.131 1.00 0.00 H new ATOM 0 HA THR A 30 -10.241 -2.104 1.732 1.00 0.00 H new ATOM 0 HB THR A 30 -12.202 -4.062 2.883 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.087 -2.004 3.086 1.00 0.00 H new ATOM 0 HG21 THR A 30 -10.886 -3.758 5.000 1.00 0.00 H new ATOM 0 HG22 THR A 30 -9.893 -4.440 3.690 1.00 0.00 H new ATOM 0 HG23 THR A 30 -9.744 -2.718 4.115 1.00 0.00 H new ATOM 447 N SER A 31 -10.869 -5.204 0.642 1.00 0.00 N ATOM 448 CA SER A 31 -10.215 -6.365 0.079 1.00 0.00 C ATOM 449 C SER A 31 -9.497 -6.050 -1.236 1.00 0.00 C ATOM 450 O SER A 31 -8.404 -6.565 -1.463 1.00 0.00 O ATOM 451 CB SER A 31 -11.294 -7.412 -0.160 1.00 0.00 C ATOM 452 OG SER A 31 -11.914 -7.855 1.037 1.00 0.00 O ATOM 0 H SER A 31 -11.882 -5.295 0.720 1.00 0.00 H new ATOM 0 HA SER A 31 -9.451 -6.719 0.771 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.053 -6.998 -0.824 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.855 -8.268 -0.673 1.00 0.00 H new ATOM 0 HG SER A 31 -12.598 -8.524 0.823 1.00 0.00 H new ATOM 458 N GLU A 32 -10.048 -5.163 -2.069 1.00 0.00 N ATOM 459 CA GLU A 32 -9.443 -4.803 -3.348 1.00 0.00 C ATOM 460 C GLU A 32 -8.053 -4.196 -3.149 1.00 0.00 C ATOM 461 O GLU A 32 -7.125 -4.534 -3.890 1.00 0.00 O ATOM 462 CB GLU A 32 -10.352 -3.837 -4.110 1.00 0.00 C ATOM 463 CG GLU A 32 -11.650 -4.504 -4.587 1.00 0.00 C ATOM 464 CD GLU A 32 -12.673 -3.508 -5.140 1.00 0.00 C ATOM 465 OE1 GLU A 32 -12.538 -2.285 -4.922 1.00 0.00 O ATOM 466 OE2 GLU A 32 -13.643 -3.977 -5.778 1.00 0.00 O ATOM 0 H GLU A 32 -10.923 -4.677 -1.874 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.327 -5.712 -3.939 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -10.597 -2.991 -3.468 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -9.814 -3.439 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -11.412 -5.236 -5.358 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.097 -5.050 -3.756 1.00 0.00 H new ATOM 473 N ALA A 33 -7.882 -3.329 -2.147 1.00 0.00 N ATOM 474 CA ALA A 33 -6.585 -2.720 -1.885 1.00 0.00 C ATOM 475 C ALA A 33 -5.574 -3.771 -1.410 1.00 0.00 C ATOM 476 O ALA A 33 -4.413 -3.719 -1.830 1.00 0.00 O ATOM 477 CB ALA A 33 -6.727 -1.563 -0.898 1.00 0.00 C ATOM 0 H ALA A 33 -8.624 -3.038 -1.510 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.196 -2.305 -2.815 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.748 -1.120 -0.714 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -7.394 -0.809 -1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.140 -1.934 0.040 1.00 0.00 H new ATOM 483 N TYR A 34 -5.986 -4.758 -0.601 1.00 0.00 N ATOM 484 CA TYR A 34 -5.043 -5.782 -0.140 1.00 0.00 C ATOM 485 C TYR A 34 -4.709 -6.723 -1.297 1.00 0.00 C ATOM 486 O TYR A 34 -3.571 -7.194 -1.385 1.00 0.00 O ATOM 487 CB TYR A 34 -5.623 -6.609 1.020 1.00 0.00 C ATOM 488 CG TYR A 34 -5.970 -5.863 2.296 1.00 0.00 C ATOM 489 CD1 TYR A 34 -5.141 -4.832 2.773 1.00 0.00 C ATOM 490 CD2 TYR A 34 -7.108 -6.228 3.035 1.00 0.00 C ATOM 491 CE1 TYR A 34 -5.481 -4.117 3.934 1.00 0.00 C ATOM 492 CE2 TYR A 34 -7.438 -5.544 4.215 1.00 0.00 C ATOM 493 CZ TYR A 34 -6.643 -4.467 4.656 1.00 0.00 C ATOM 494 OH TYR A 34 -7.030 -3.750 5.742 1.00 0.00 O ATOM 0 H TYR A 34 -6.941 -4.867 -0.261 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.147 -5.273 0.215 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.525 -7.106 0.663 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -4.906 -7.391 1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.233 -4.587 2.241 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.733 -7.040 2.693 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.856 -3.304 4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.304 -5.844 4.787 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.852 -4.135 6.112 1.00 0.00 H new ATOM 504 N ALA A 35 -5.646 -6.945 -2.223 1.00 0.00 N ATOM 505 CA ALA A 35 -5.432 -7.800 -3.379 1.00 0.00 C ATOM 506 C ALA A 35 -4.452 -7.115 -4.336 1.00 0.00 C ATOM 507 O ALA A 35 -3.624 -7.793 -4.948 1.00 0.00 O ATOM 508 CB ALA A 35 -6.766 -8.094 -4.064 1.00 0.00 C ATOM 0 H ALA A 35 -6.578 -6.531 -2.185 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.003 -8.752 -3.065 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.597 -8.735 -4.929 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -7.432 -8.598 -3.363 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -7.222 -7.159 -4.389 1.00 0.00 H new ATOM 514 N TYR A 36 -4.523 -5.786 -4.469 1.00 0.00 N ATOM 515 CA TYR A 36 -3.619 -5.052 -5.343 1.00 0.00 C ATOM 516 C TYR A 36 -2.214 -5.083 -4.735 1.00 0.00 C ATOM 517 O TYR A 36 -1.242 -5.384 -5.422 1.00 0.00 O ATOM 518 CB TYR A 36 -4.117 -3.616 -5.571 1.00 0.00 C ATOM 519 CG TYR A 36 -3.329 -2.794 -6.584 1.00 0.00 C ATOM 520 CD1 TYR A 36 -2.668 -3.413 -7.664 1.00 0.00 C ATOM 521 CD2 TYR A 36 -3.297 -1.387 -6.481 1.00 0.00 C ATOM 522 CE1 TYR A 36 -2.006 -2.646 -8.632 1.00 0.00 C ATOM 523 CE2 TYR A 36 -2.656 -0.611 -7.466 1.00 0.00 C ATOM 524 CZ TYR A 36 -2.032 -1.241 -8.566 1.00 0.00 C ATOM 525 OH TYR A 36 -1.409 -0.511 -9.526 1.00 0.00 O ATOM 0 H TYR A 36 -5.200 -5.201 -3.979 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.587 -5.526 -6.324 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -5.156 -3.659 -5.896 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -4.104 -3.091 -4.616 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.672 -4.490 -7.746 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.768 -0.901 -5.639 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -1.473 -3.136 -9.433 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -2.641 0.466 -7.381 1.00 0.00 H new ATOM 0 HH TYR A 36 -1.521 0.444 -9.335 1.00 0.00 H new ATOM 535 N ALA A 37 -2.087 -4.831 -3.430 1.00 0.00 N ATOM 536 CA ALA A 37 -0.778 -4.864 -2.786 1.00 0.00 C ATOM 537 C ALA A 37 -0.186 -6.286 -2.829 1.00 0.00 C ATOM 538 O ALA A 37 1.033 -6.457 -2.856 1.00 0.00 O ATOM 539 CB ALA A 37 -0.916 -4.369 -1.349 1.00 0.00 C ATOM 0 H ALA A 37 -2.864 -4.605 -2.809 1.00 0.00 H new ATOM 0 HA ALA A 37 -0.092 -4.209 -3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.059 -4.391 -0.861 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.298 -3.348 -1.351 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.608 -5.014 -0.807 1.00 0.00 H new ATOM 545 N ASP A 38 -1.031 -7.322 -2.850 1.00 0.00 N ATOM 546 CA ASP A 38 -0.605 -8.721 -2.895 1.00 0.00 C ATOM 547 C ASP A 38 0.081 -9.073 -4.212 1.00 0.00 C ATOM 548 O ASP A 38 1.067 -9.814 -4.192 1.00 0.00 O ATOM 549 CB ASP A 38 -1.811 -9.652 -2.712 1.00 0.00 C ATOM 550 CG ASP A 38 -1.408 -11.121 -2.796 1.00 0.00 C ATOM 551 OD1 ASP A 38 -0.708 -11.578 -1.869 1.00 0.00 O ATOM 552 OD2 ASP A 38 -1.810 -11.804 -3.770 1.00 0.00 O ATOM 0 H ASP A 38 -2.045 -7.208 -2.836 1.00 0.00 H new ATOM 0 HA ASP A 38 0.110 -8.856 -2.083 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -2.278 -9.457 -1.746 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.557 -9.435 -3.476 1.00 0.00 H new ATOM 557 N THR A 39 -0.366 -8.521 -5.347 1.00 0.00 N ATOM 558 CA THR A 39 0.248 -8.836 -6.635 1.00 0.00 C ATOM 559 C THR A 39 1.667 -8.259 -6.738 1.00 0.00 C ATOM 560 O THR A 39 2.483 -8.788 -7.494 1.00 0.00 O ATOM 561 CB THR A 39 -0.682 -8.438 -7.806 1.00 0.00 C ATOM 562 OG1 THR A 39 -0.178 -8.892 -9.045 1.00 0.00 O ATOM 563 CG2 THR A 39 -0.926 -6.938 -7.961 1.00 0.00 C ATOM 0 H THR A 39 -1.142 -7.861 -5.396 1.00 0.00 H new ATOM 0 HA THR A 39 0.371 -9.917 -6.708 1.00 0.00 H new ATOM 0 HB THR A 39 -1.626 -8.915 -7.544 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.789 -8.626 -9.764 1.00 0.00 H new ATOM 0 HG21 THR A 39 -1.589 -6.763 -8.808 1.00 0.00 H new ATOM 0 HG22 THR A 39 -1.386 -6.549 -7.053 1.00 0.00 H new ATOM 0 HG23 THR A 39 0.023 -6.431 -8.133 1.00 0.00 H new ATOM 571 N LEU A 40 2.016 -7.246 -5.939 1.00 0.00 N ATOM 572 CA LEU A 40 3.332 -6.608 -5.960 1.00 0.00 C ATOM 573 C LEU A 40 4.210 -7.007 -4.776 1.00 0.00 C ATOM 574 O LEU A 40 5.345 -6.543 -4.697 1.00 0.00 O ATOM 575 CB LEU A 40 3.126 -5.083 -5.995 1.00 0.00 C ATOM 576 CG LEU A 40 2.636 -4.599 -7.373 1.00 0.00 C ATOM 577 CD1 LEU A 40 1.819 -3.317 -7.216 1.00 0.00 C ATOM 578 CD2 LEU A 40 3.815 -4.372 -8.324 1.00 0.00 C ATOM 0 H LEU A 40 1.382 -6.842 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 40 3.864 -6.948 -6.849 1.00 0.00 H new ATOM 0 HB2 LEU A 40 2.402 -4.797 -5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.063 -4.585 -5.748 1.00 0.00 H new ATOM 0 HG LEU A 40 2.001 -5.372 -7.805 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.476 -2.982 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.958 -3.511 -6.577 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.440 -2.543 -6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.443 -4.031 -9.290 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.481 -3.618 -7.905 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.362 -5.306 -8.455 1.00 0.00 H new ATOM 590 N LYS A 41 3.738 -7.855 -3.857 1.00 0.00 N ATOM 591 CA LYS A 41 4.506 -8.261 -2.687 1.00 0.00 C ATOM 592 C LYS A 41 5.755 -9.056 -3.050 1.00 0.00 C ATOM 593 O LYS A 41 6.771 -8.885 -2.389 1.00 0.00 O ATOM 594 CB LYS A 41 3.598 -8.989 -1.687 1.00 0.00 C ATOM 595 CG LYS A 41 4.240 -8.997 -0.291 1.00 0.00 C ATOM 596 CD LYS A 41 3.286 -9.461 0.808 1.00 0.00 C ATOM 597 CE LYS A 41 2.961 -10.948 0.705 1.00 0.00 C ATOM 598 NZ LYS A 41 1.924 -11.330 1.683 1.00 0.00 N ATOM 0 H LYS A 41 2.811 -8.277 -3.908 1.00 0.00 H new ATOM 0 HA LYS A 41 4.881 -7.362 -2.199 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.626 -8.498 -1.645 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.425 -10.012 -2.021 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.114 -9.649 -0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 41 4.594 -7.993 -0.056 1.00 0.00 H new ATOM 0 HD2 LYS A 41 3.730 -9.255 1.782 1.00 0.00 H new ATOM 0 HD3 LYS A 41 2.362 -8.885 0.751 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.619 -11.180 -0.303 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.863 -11.534 0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.720 -12.346 1.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.263 -11.128 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.057 -10.785 1.500 1.00 0.00 H new ATOM 612 N GLN A 42 5.726 -9.938 -4.047 1.00 0.00 N ATOM 613 CA GLN A 42 6.934 -10.677 -4.407 1.00 0.00 C ATOM 614 C GLN A 42 7.842 -9.779 -5.260 1.00 0.00 C ATOM 615 O GLN A 42 9.062 -9.905 -5.215 1.00 0.00 O ATOM 616 CB GLN A 42 6.555 -11.969 -5.146 1.00 0.00 C ATOM 617 CG GLN A 42 7.744 -12.912 -5.380 1.00 0.00 C ATOM 618 CD GLN A 42 8.388 -13.418 -4.092 1.00 0.00 C ATOM 619 OE1 GLN A 42 9.542 -13.122 -3.796 1.00 0.00 O ATOM 620 NE2 GLN A 42 7.693 -14.235 -3.321 1.00 0.00 N ATOM 0 H GLN A 42 4.902 -10.155 -4.607 1.00 0.00 H new ATOM 0 HA GLN A 42 7.482 -10.960 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.791 -12.495 -4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 42 6.111 -11.711 -6.108 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.409 -13.766 -5.968 1.00 0.00 H new ATOM 0 HG3 GLN A 42 8.497 -12.393 -5.973 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.734 -14.479 -3.570 1.00 0.00 H new ATOM 0 HE22 GLN A 42 8.115 -14.622 -2.477 1.00 0.00 H new ATOM 629 N ASP A 43 7.250 -8.844 -6.006 1.00 0.00 N ATOM 630 CA ASP A 43 7.945 -7.916 -6.892 1.00 0.00 C ATOM 631 C ASP A 43 8.628 -6.755 -6.170 1.00 0.00 C ATOM 632 O ASP A 43 9.634 -6.246 -6.655 1.00 0.00 O ATOM 633 CB ASP A 43 6.907 -7.331 -7.855 1.00 0.00 C ATOM 634 CG ASP A 43 7.549 -6.453 -8.929 1.00 0.00 C ATOM 635 OD1 ASP A 43 8.308 -7.003 -9.766 1.00 0.00 O ATOM 636 OD2 ASP A 43 7.214 -5.249 -8.977 1.00 0.00 O ATOM 0 H ASP A 43 6.239 -8.710 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 43 8.732 -8.479 -7.394 1.00 0.00 H new ATOM 0 HB2 ASP A 43 6.358 -8.143 -8.332 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.182 -6.743 -7.292 1.00 0.00 H new ATOM 641 N ASN A 44 8.137 -6.365 -4.987 1.00 0.00 N ATOM 642 CA ASN A 44 8.671 -5.235 -4.221 1.00 0.00 C ATOM 643 C ASN A 44 8.946 -5.559 -2.754 1.00 0.00 C ATOM 644 O ASN A 44 9.511 -4.714 -2.060 1.00 0.00 O ATOM 645 CB ASN A 44 7.715 -4.035 -4.351 1.00 0.00 C ATOM 646 CG ASN A 44 7.528 -3.621 -5.800 1.00 0.00 C ATOM 647 OD1 ASN A 44 6.534 -4.219 -6.433 1.00 0.00 O flip ATOM 648 ND2 ASN A 44 8.287 -2.826 -6.349 1.00 0.00 N flip ATOM 0 H ASN A 44 7.351 -6.830 -4.532 1.00 0.00 H new ATOM 0 HA ASN A 44 9.643 -4.989 -4.648 1.00 0.00 H new ATOM 0 HB2 ASN A 44 6.748 -4.291 -3.918 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.107 -3.194 -3.780 1.00 0.00 H new ATOM 0 HD21 ASN A 44 9.040 -2.390 -5.817 1.00 0.00 H new ATOM 0 HD22 ASN A 44 8.164 -2.602 -7.336 1.00 0.00 H new ATOM 655 N GLY A 45 8.605 -6.754 -2.272 1.00 0.00 N ATOM 656 CA GLY A 45 8.841 -7.176 -0.897 1.00 0.00 C ATOM 657 C GLY A 45 7.626 -7.007 -0.002 1.00 0.00 C ATOM 658 O GLY A 45 6.564 -6.571 -0.452 1.00 0.00 O ATOM 0 H GLY A 45 8.148 -7.468 -2.840 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.145 -8.223 -0.892 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.670 -6.601 -0.485 1.00 0.00 H new ATOM 662 N GLU A 46 7.776 -7.399 1.266 1.00 0.00 N ATOM 663 CA GLU A 46 6.703 -7.282 2.242 1.00 0.00 C ATOM 664 C GLU A 46 6.324 -5.819 2.425 1.00 0.00 C ATOM 665 O GLU A 46 7.113 -4.899 2.182 1.00 0.00 O ATOM 666 CB GLU A 46 7.112 -7.860 3.605 1.00 0.00 C ATOM 667 CG GLU A 46 6.947 -9.378 3.642 1.00 0.00 C ATOM 668 CD GLU A 46 7.473 -9.985 4.948 1.00 0.00 C ATOM 669 OE1 GLU A 46 7.119 -9.480 6.040 1.00 0.00 O ATOM 670 OE2 GLU A 46 8.204 -11.005 4.907 1.00 0.00 O ATOM 0 H GLU A 46 8.637 -7.801 1.637 1.00 0.00 H new ATOM 0 HA GLU A 46 5.853 -7.850 1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 46 8.150 -7.601 3.815 1.00 0.00 H new ATOM 0 HB3 GLU A 46 6.506 -7.408 4.390 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.893 -9.630 3.524 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.477 -9.820 2.798 1.00 0.00 H new ATOM 677 N TRP A 47 5.100 -5.634 2.903 1.00 0.00 N ATOM 678 CA TRP A 47 4.517 -4.346 3.174 1.00 0.00 C ATOM 679 C TRP A 47 3.821 -4.321 4.528 1.00 0.00 C ATOM 680 O TRP A 47 3.576 -5.343 5.184 1.00 0.00 O ATOM 681 CB TRP A 47 3.597 -3.938 2.011 1.00 0.00 C ATOM 682 CG TRP A 47 2.617 -4.954 1.492 1.00 0.00 C ATOM 683 CD1 TRP A 47 2.757 -5.620 0.325 1.00 0.00 C ATOM 684 CD2 TRP A 47 1.348 -5.415 2.052 1.00 0.00 C ATOM 685 NE1 TRP A 47 1.638 -6.380 0.074 1.00 0.00 N ATOM 686 CE2 TRP A 47 0.742 -6.310 1.118 1.00 0.00 C ATOM 687 CE3 TRP A 47 0.638 -5.176 3.250 1.00 0.00 C ATOM 688 CZ2 TRP A 47 -0.507 -6.906 1.350 1.00 0.00 C ATOM 689 CZ3 TRP A 47 -0.590 -5.814 3.516 1.00 0.00 C ATOM 690 CH2 TRP A 47 -1.171 -6.670 2.564 1.00 0.00 C ATOM 0 H TRP A 47 4.473 -6.409 3.117 1.00 0.00 H new ATOM 0 HA TRP A 47 5.309 -3.600 3.241 1.00 0.00 H new ATOM 0 HB2 TRP A 47 3.032 -3.060 2.325 1.00 0.00 H new ATOM 0 HB3 TRP A 47 4.229 -3.629 1.179 1.00 0.00 H new ATOM 0 HD1 TRP A 47 3.623 -5.564 -0.318 1.00 0.00 H new ATOM 0 HE1 TRP A 47 1.491 -6.925 -0.776 1.00 0.00 H new ATOM 0 HE3 TRP A 47 1.045 -4.490 3.978 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -0.954 -7.542 0.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -1.089 -5.644 4.459 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -2.121 -7.142 2.765 1.00 0.00 H new ATOM 701 N THR A 48 3.490 -3.102 4.908 1.00 0.00 N ATOM 702 CA THR A 48 2.818 -2.648 6.103 1.00 0.00 C ATOM 703 C THR A 48 1.612 -1.851 5.606 1.00 0.00 C ATOM 704 O THR A 48 1.645 -1.334 4.486 1.00 0.00 O ATOM 705 CB THR A 48 3.774 -1.753 6.937 1.00 0.00 C ATOM 706 OG1 THR A 48 5.067 -1.557 6.363 1.00 0.00 O ATOM 707 CG2 THR A 48 3.986 -2.367 8.317 1.00 0.00 C ATOM 0 H THR A 48 3.717 -2.310 4.307 1.00 0.00 H new ATOM 0 HA THR A 48 2.511 -3.471 6.749 1.00 0.00 H new ATOM 0 HB THR A 48 3.280 -0.782 6.977 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.971 -1.273 5.430 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.658 -1.734 8.897 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.028 -2.447 8.831 1.00 0.00 H new ATOM 0 HG23 THR A 48 4.424 -3.359 8.210 1.00 0.00 H new ATOM 715 N VAL A 49 0.535 -1.778 6.386 1.00 0.00 N ATOM 716 CA VAL A 49 -0.650 -1.023 6.009 1.00 0.00 C ATOM 717 C VAL A 49 -1.189 -0.341 7.261 1.00 0.00 C ATOM 718 O VAL A 49 -1.160 -0.932 8.343 1.00 0.00 O ATOM 719 CB VAL A 49 -1.662 -1.890 5.236 1.00 0.00 C ATOM 720 CG1 VAL A 49 -2.170 -3.120 6.003 1.00 0.00 C ATOM 721 CG2 VAL A 49 -2.842 -1.023 4.781 1.00 0.00 C ATOM 0 H VAL A 49 0.463 -2.240 7.293 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.407 -0.238 5.293 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.122 -2.289 4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -2.877 -3.670 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.328 -3.766 6.253 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -2.666 -2.798 6.919 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -3.556 -1.639 4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -3.331 -0.587 5.652 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.479 -0.226 4.132 1.00 0.00 H new ATOM 731 N ASP A 50 -1.613 0.915 7.131 1.00 0.00 N ATOM 732 CA ASP A 50 -2.164 1.730 8.209 1.00 0.00 C ATOM 733 C ASP A 50 -3.575 2.140 7.815 1.00 0.00 C ATOM 734 O ASP A 50 -3.827 2.401 6.632 1.00 0.00 O ATOM 735 CB ASP A 50 -1.324 2.993 8.430 1.00 0.00 C ATOM 736 CG ASP A 50 -1.699 3.757 9.701 1.00 0.00 C ATOM 737 OD1 ASP A 50 -2.416 3.228 10.580 1.00 0.00 O ATOM 738 OD2 ASP A 50 -1.215 4.904 9.820 1.00 0.00 O ATOM 0 H ASP A 50 -1.580 1.410 6.239 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.162 1.151 9.133 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -0.271 2.716 8.479 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -1.441 3.653 7.570 1.00 0.00 H new ATOM 743 N VAL A 51 -4.475 2.145 8.792 1.00 0.00 N ATOM 744 CA VAL A 51 -5.876 2.502 8.681 1.00 0.00 C ATOM 745 C VAL A 51 -5.981 3.971 9.087 1.00 0.00 C ATOM 746 O VAL A 51 -5.923 4.320 10.267 1.00 0.00 O ATOM 747 CB VAL A 51 -6.736 1.516 9.507 1.00 0.00 C ATOM 748 CG1 VAL A 51 -6.139 1.149 10.875 1.00 0.00 C ATOM 749 CG2 VAL A 51 -8.170 2.017 9.719 1.00 0.00 C ATOM 0 H VAL A 51 -4.223 1.881 9.745 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.271 2.412 7.669 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.747 0.615 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -6.804 0.455 11.388 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.165 0.681 10.733 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.024 2.051 11.476 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.728 1.286 10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.148 2.968 10.251 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.654 2.153 8.752 1.00 0.00 H new ATOM 759 N ALA A 52 -6.110 4.839 8.091 1.00 0.00 N ATOM 760 CA ALA A 52 -6.215 6.280 8.234 1.00 0.00 C ATOM 761 C ALA A 52 -7.579 6.774 7.739 1.00 0.00 C ATOM 762 O ALA A 52 -8.375 6.023 7.173 1.00 0.00 O ATOM 763 CB ALA A 52 -5.042 6.925 7.482 1.00 0.00 C ATOM 0 H ALA A 52 -6.146 4.540 7.117 1.00 0.00 H new ATOM 0 HA ALA A 52 -6.153 6.568 9.283 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -5.101 8.009 7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -4.101 6.575 7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.090 6.649 6.428 1.00 0.00 H new ATOM 769 N ASP A 53 -7.837 8.057 7.964 1.00 0.00 N ATOM 770 CA ASP A 53 -9.029 8.829 7.625 1.00 0.00 C ATOM 771 C ASP A 53 -10.334 8.096 7.916 1.00 0.00 C ATOM 772 O ASP A 53 -11.133 7.870 7.012 1.00 0.00 O ATOM 773 CB ASP A 53 -8.966 9.318 6.175 1.00 0.00 C ATOM 774 CG ASP A 53 -9.941 10.465 5.908 1.00 0.00 C ATOM 775 OD1 ASP A 53 -10.120 11.306 6.825 1.00 0.00 O ATOM 776 OD2 ASP A 53 -10.344 10.659 4.739 1.00 0.00 O ATOM 0 H ASP A 53 -7.148 8.642 8.436 1.00 0.00 H new ATOM 0 HA ASP A 53 -9.031 9.697 8.284 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.952 9.646 5.948 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -9.191 8.489 5.504 1.00 0.00 H new ATOM 781 N GLN A 54 -10.553 7.683 9.172 1.00 0.00 N ATOM 782 CA GLN A 54 -11.749 6.945 9.613 1.00 0.00 C ATOM 783 C GLN A 54 -11.914 5.587 8.902 1.00 0.00 C ATOM 784 O GLN A 54 -12.880 4.867 9.179 1.00 0.00 O ATOM 785 CB GLN A 54 -13.030 7.787 9.424 1.00 0.00 C ATOM 786 CG GLN A 54 -13.132 9.025 10.316 1.00 0.00 C ATOM 787 CD GLN A 54 -14.469 9.720 10.067 1.00 0.00 C ATOM 788 OE1 GLN A 54 -14.847 9.978 8.927 1.00 0.00 O ATOM 789 NE2 GLN A 54 -15.222 10.037 11.103 1.00 0.00 N ATOM 0 H GLN A 54 -9.890 7.856 9.928 1.00 0.00 H new ATOM 0 HA GLN A 54 -11.599 6.746 10.674 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -13.087 8.103 8.383 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -13.895 7.151 9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -13.048 8.739 11.365 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -12.309 9.708 10.105 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -14.906 9.822 12.048 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -16.121 10.497 10.958 1.00 0.00 H new ATOM 798 N GLY A 55 -10.969 5.203 8.046 1.00 0.00 N ATOM 799 CA GLY A 55 -10.911 3.999 7.245 1.00 0.00 C ATOM 800 C GLY A 55 -10.836 4.338 5.749 1.00 0.00 C ATOM 801 O GLY A 55 -10.556 3.446 4.950 1.00 0.00 O ATOM 0 H GLY A 55 -10.150 5.789 7.887 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -10.041 3.408 7.532 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.791 3.386 7.439 1.00 0.00 H new ATOM 805 N TYR A 56 -11.033 5.598 5.340 1.00 0.00 N ATOM 806 CA TYR A 56 -11.007 5.998 3.937 1.00 0.00 C ATOM 807 C TYR A 56 -9.613 6.215 3.358 1.00 0.00 C ATOM 808 O TYR A 56 -9.508 6.401 2.149 1.00 0.00 O ATOM 809 CB TYR A 56 -11.877 7.248 3.723 1.00 0.00 C ATOM 810 CG TYR A 56 -13.325 7.105 4.156 1.00 0.00 C ATOM 811 CD1 TYR A 56 -14.104 6.036 3.672 1.00 0.00 C ATOM 812 CD2 TYR A 56 -13.894 8.036 5.048 1.00 0.00 C ATOM 813 CE1 TYR A 56 -15.437 5.890 4.089 1.00 0.00 C ATOM 814 CE2 TYR A 56 -15.237 7.912 5.447 1.00 0.00 C ATOM 815 CZ TYR A 56 -16.014 6.834 4.964 1.00 0.00 C ATOM 816 OH TYR A 56 -17.325 6.709 5.294 1.00 0.00 O ATOM 0 H TYR A 56 -11.216 6.370 5.982 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.418 5.152 3.387 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -11.431 8.080 4.268 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -11.854 7.511 2.665 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -13.675 5.327 2.979 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -13.295 8.850 5.428 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -16.022 5.053 3.739 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -15.673 8.637 6.119 1.00 0.00 H new ATOM 0 HH TYR A 56 -17.579 7.432 5.905 1.00 0.00 H new ATOM 826 N THR A 57 -8.543 6.182 4.147 1.00 0.00 N ATOM 827 CA THR A 57 -7.194 6.350 3.624 1.00 0.00 C ATOM 828 C THR A 57 -6.417 5.117 4.062 1.00 0.00 C ATOM 829 O THR A 57 -6.478 4.707 5.224 1.00 0.00 O ATOM 830 CB THR A 57 -6.559 7.680 4.069 1.00 0.00 C ATOM 831 OG1 THR A 57 -7.279 8.776 3.540 1.00 0.00 O ATOM 832 CG2 THR A 57 -5.118 7.820 3.561 1.00 0.00 C ATOM 0 H THR A 57 -8.587 6.040 5.156 1.00 0.00 H new ATOM 0 HA THR A 57 -7.190 6.422 2.536 1.00 0.00 H new ATOM 0 HB THR A 57 -6.578 7.677 5.159 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.863 9.613 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 57 -4.705 8.771 3.896 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.513 7.003 3.954 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.111 7.785 2.472 1.00 0.00 H new ATOM 840 N LEU A 58 -5.716 4.491 3.121 1.00 0.00 N ATOM 841 CA LEU A 58 -4.900 3.309 3.383 1.00 0.00 C ATOM 842 C LEU A 58 -3.471 3.679 3.039 1.00 0.00 C ATOM 843 O LEU A 58 -3.236 4.247 1.968 1.00 0.00 O ATOM 844 CB LEU A 58 -5.381 2.096 2.576 1.00 0.00 C ATOM 845 CG LEU A 58 -6.712 1.523 3.081 1.00 0.00 C ATOM 846 CD1 LEU A 58 -7.249 0.543 2.043 1.00 0.00 C ATOM 847 CD2 LEU A 58 -6.541 0.792 4.412 1.00 0.00 C ATOM 0 H LEU A 58 -5.698 4.792 2.147 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.979 3.014 4.429 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.490 2.384 1.530 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.620 1.317 2.615 1.00 0.00 H new ATOM 0 HG LEU A 58 -7.406 2.350 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -8.195 0.128 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.405 1.063 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -6.530 -0.264 1.898 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -7.504 0.400 4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.838 -0.031 4.287 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.159 1.485 5.161 1.00 0.00 H new ATOM 859 N ASN A 59 -2.519 3.390 3.927 1.00 0.00 N ATOM 860 CA ASN A 59 -1.109 3.709 3.696 1.00 0.00 C ATOM 861 C ASN A 59 -0.306 2.428 3.612 1.00 0.00 C ATOM 862 O ASN A 59 0.117 1.906 4.642 1.00 0.00 O ATOM 863 CB ASN A 59 -0.548 4.653 4.764 1.00 0.00 C ATOM 864 CG ASN A 59 -1.242 6.002 4.761 1.00 0.00 C ATOM 865 OD1 ASN A 59 -1.302 6.673 3.732 1.00 0.00 O ATOM 866 ND2 ASN A 59 -1.780 6.416 5.897 1.00 0.00 N ATOM 0 H ASN A 59 -2.701 2.932 4.820 1.00 0.00 H new ATOM 0 HA ASN A 59 -1.030 4.240 2.747 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.657 4.193 5.746 1.00 0.00 H new ATOM 0 HB3 ASN A 59 0.519 4.796 4.595 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -2.261 7.315 5.936 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.714 5.837 6.734 1.00 0.00 H new ATOM 873 N ILE A 60 -0.138 1.901 2.402 1.00 0.00 N ATOM 874 CA ILE A 60 0.582 0.674 2.108 1.00 0.00 C ATOM 875 C ILE A 60 2.048 1.035 1.851 1.00 0.00 C ATOM 876 O ILE A 60 2.383 1.595 0.808 1.00 0.00 O ATOM 877 CB ILE A 60 -0.078 -0.085 0.930 1.00 0.00 C ATOM 878 CG1 ILE A 60 -1.624 -0.110 1.053 1.00 0.00 C ATOM 879 CG2 ILE A 60 0.503 -1.512 0.888 1.00 0.00 C ATOM 880 CD1 ILE A 60 -2.340 -0.820 -0.096 1.00 0.00 C ATOM 0 H ILE A 60 -0.519 2.341 1.564 1.00 0.00 H new ATOM 0 HA ILE A 60 0.541 -0.013 2.953 1.00 0.00 H new ATOM 0 HB ILE A 60 0.144 0.434 -0.003 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.893 -0.599 1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.988 0.916 1.112 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.051 -2.065 0.064 1.00 0.00 H new ATOM 0 HG22 ILE A 60 1.582 -1.461 0.742 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.287 -2.020 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.417 -0.790 0.072 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.105 -0.320 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -2.009 -1.858 -0.145 1.00 0.00 H new ATOM 892 N GLN A 61 2.917 0.744 2.816 1.00 0.00 N ATOM 893 CA GLN A 61 4.349 1.024 2.758 1.00 0.00 C ATOM 894 C GLN A 61 5.114 -0.294 2.665 1.00 0.00 C ATOM 895 O GLN A 61 4.904 -1.169 3.508 1.00 0.00 O ATOM 896 CB GLN A 61 4.737 1.842 4.001 1.00 0.00 C ATOM 897 CG GLN A 61 6.246 2.079 4.136 1.00 0.00 C ATOM 898 CD GLN A 61 6.850 2.789 2.931 1.00 0.00 C ATOM 899 OE1 GLN A 61 7.105 2.195 1.892 1.00 0.00 O ATOM 900 NE2 GLN A 61 7.068 4.080 3.037 1.00 0.00 N ATOM 0 H GLN A 61 2.635 0.293 3.686 1.00 0.00 H new ATOM 0 HA GLN A 61 4.604 1.611 1.875 1.00 0.00 H new ATOM 0 HB2 GLN A 61 4.229 2.805 3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 61 4.378 1.326 4.891 1.00 0.00 H new ATOM 0 HG2 GLN A 61 6.436 2.671 5.032 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.747 1.121 4.275 1.00 0.00 H new ATOM 0 HE21 GLN A 61 6.851 4.564 3.908 1.00 0.00 H new ATOM 0 HE22 GLN A 61 7.454 4.599 2.248 1.00 0.00 H new ATOM 909 N PHE A 62 5.944 -0.457 1.636 1.00 0.00 N ATOM 910 CA PHE A 62 6.750 -1.650 1.385 1.00 0.00 C ATOM 911 C PHE A 62 8.139 -1.511 2.025 1.00 0.00 C ATOM 912 O PHE A 62 8.591 -0.403 2.318 1.00 0.00 O ATOM 913 CB PHE A 62 6.866 -1.890 -0.127 1.00 0.00 C ATOM 914 CG PHE A 62 5.614 -2.393 -0.838 1.00 0.00 C ATOM 915 CD1 PHE A 62 4.426 -1.634 -0.883 1.00 0.00 C ATOM 916 CD2 PHE A 62 5.650 -3.634 -1.501 1.00 0.00 C ATOM 917 CE1 PHE A 62 3.299 -2.113 -1.571 1.00 0.00 C ATOM 918 CE2 PHE A 62 4.531 -4.100 -2.212 1.00 0.00 C ATOM 919 CZ PHE A 62 3.347 -3.345 -2.242 1.00 0.00 C ATOM 0 H PHE A 62 6.078 0.265 0.928 1.00 0.00 H new ATOM 0 HA PHE A 62 6.259 -2.510 1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.172 -0.956 -0.597 1.00 0.00 H new ATOM 0 HB3 PHE A 62 7.666 -2.610 -0.297 1.00 0.00 H new ATOM 0 HD1 PHE A 62 4.383 -0.677 -0.384 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.547 -4.234 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 62 2.390 -1.530 -1.584 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.582 -5.042 -2.737 1.00 0.00 H new ATOM 0 HZ PHE A 62 2.482 -3.709 -2.776 1.00 0.00 H new ATOM 929 N ALA A 63 8.859 -2.626 2.188 1.00 0.00 N ATOM 930 CA ALA A 63 10.197 -2.662 2.791 1.00 0.00 C ATOM 931 C ALA A 63 11.327 -3.036 1.820 1.00 0.00 C ATOM 932 O ALA A 63 12.490 -2.701 2.075 1.00 0.00 O ATOM 933 CB ALA A 63 10.166 -3.666 3.949 1.00 0.00 C ATOM 0 H ALA A 63 8.523 -3.545 1.900 1.00 0.00 H new ATOM 0 HA ALA A 63 10.424 -1.649 3.124 1.00 0.00 H new ATOM 0 HB1 ALA A 63 11.150 -3.713 4.416 1.00 0.00 H new ATOM 0 HB2 ALA A 63 9.429 -3.348 4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 63 9.897 -4.652 3.569 1.00 0.00 H new ATOM 939 N GLY A 64 11.006 -3.661 0.687 1.00 0.00 N ATOM 940 CA GLY A 64 11.962 -4.113 -0.320 1.00 0.00 C ATOM 941 C GLY A 64 12.024 -5.642 -0.247 1.00 0.00 C ATOM 942 O GLY A 64 11.704 -6.225 0.794 1.00 0.00 O ATOM 0 H GLY A 64 10.040 -3.873 0.438 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.653 -3.789 -1.314 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.945 -3.681 -0.136 1.00 0.00 H new TER 946 GLY A 64