USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 409 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 41 GLN : amide:sc= -3.03! C(o=-7.1!,f=-6.6!) USER MOD Set 1.2: A 51 GLN : amide:sc= -4.62! C(o=-7.1!,f=-13!) USER MOD Set 1.3: A 55 TYR OH : rot 24:sc= 0.53 USER MOD Set 2.1: A 1 PHE N :NH3+ -149:sc= -6.71! (180deg=-0.254) USER MOD Set 2.2: A 4 GLN : amide:sc= -5.97! C(o=-13!,f=-2.2!) USER MOD Single : A 3 ASN : amide:sc= -8.8! K(o=-8.8!,f=-0.17) USER MOD Single : A 5 HIS : no HD1:sc= 0.633 K(o=0.63,f=-4.4!) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 174:sc= -6.09! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0358 USER MOD Single : A 44 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0472 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 57 ASN : amide:sc= -1.31 X(o=-1.3,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.645 -12.384 3.063 1.00 0.00 N ATOM 2 CA PHE A 1 -5.386 -11.533 1.869 1.00 0.00 C ATOM 3 C PHE A 1 -6.205 -12.072 0.695 1.00 0.00 C ATOM 4 O PHE A 1 -5.778 -12.036 -0.442 1.00 0.00 O ATOM 5 CB PHE A 1 -3.891 -11.601 1.533 1.00 0.00 C ATOM 6 CG PHE A 1 -3.441 -10.532 0.558 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.338 -9.680 -0.105 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.071 -10.406 0.318 1.00 0.00 C ATOM 9 CE1 PHE A 1 -3.855 -8.726 -0.992 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.593 -9.448 -0.568 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.482 -8.607 -1.225 1.00 0.00 C ATOM 0 H1 PHE A 1 -5.565 -11.807 3.925 1.00 0.00 H new ATOM 0 H2 PHE A 1 -6.603 -12.785 3.002 1.00 0.00 H new ATOM 0 H3 PHE A 1 -4.948 -13.155 3.097 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.669 -10.499 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.315 -11.507 2.454 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -3.665 -12.582 1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.400 -9.766 0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.377 -11.059 0.826 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.545 -8.072 -1.505 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.532 -9.358 -0.745 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.113 -7.862 -1.915 1.00 0.00 H new ATOM 23 N VAL A 2 -7.372 -12.590 0.969 1.00 0.00 N ATOM 24 CA VAL A 2 -8.230 -13.159 -0.116 1.00 0.00 C ATOM 25 C VAL A 2 -9.363 -12.183 -0.468 1.00 0.00 C ATOM 26 O VAL A 2 -9.214 -11.322 -1.313 1.00 0.00 O ATOM 27 CB VAL A 2 -8.827 -14.481 0.398 1.00 0.00 C ATOM 28 CG1 VAL A 2 -7.832 -15.625 0.166 1.00 0.00 C ATOM 29 CG2 VAL A 2 -9.117 -14.361 1.905 1.00 0.00 C ATOM 0 H VAL A 2 -7.773 -12.645 1.905 1.00 0.00 H new ATOM 0 HA VAL A 2 -7.634 -13.328 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 2 -9.752 -14.689 -0.140 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.259 -16.559 0.532 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -7.623 -15.715 -0.900 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.906 -15.416 0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.540 -15.297 2.270 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.190 -14.149 2.438 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -9.827 -13.551 2.076 1.00 0.00 H new ATOM 39 N ASN A 3 -10.496 -12.326 0.168 1.00 0.00 N ATOM 40 CA ASN A 3 -11.663 -11.436 -0.114 1.00 0.00 C ATOM 41 C ASN A 3 -11.790 -10.379 0.976 1.00 0.00 C ATOM 42 O ASN A 3 -12.866 -9.890 1.260 1.00 0.00 O ATOM 43 CB ASN A 3 -12.940 -12.269 -0.165 1.00 0.00 C ATOM 44 CG ASN A 3 -13.049 -13.138 1.077 1.00 0.00 C ATOM 45 OD1 ASN A 3 -14.023 -13.841 1.258 1.00 0.00 O ATOM 46 ND2 ASN A 3 -12.090 -13.124 1.946 1.00 0.00 N ATOM 0 H ASN A 3 -10.665 -13.034 0.883 1.00 0.00 H new ATOM 0 HA ASN A 3 -11.509 -10.942 -1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.808 -11.614 -0.237 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -12.939 -12.895 -1.057 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -12.152 -13.703 2.783 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -11.272 -12.534 1.794 1.00 0.00 H new ATOM 53 N GLN A 4 -10.706 -10.029 1.599 1.00 0.00 N ATOM 54 CA GLN A 4 -10.759 -9.005 2.681 1.00 0.00 C ATOM 55 C GLN A 4 -10.422 -7.632 2.091 1.00 0.00 C ATOM 56 O GLN A 4 -9.811 -7.521 1.046 1.00 0.00 O ATOM 57 CB GLN A 4 -9.754 -9.374 3.786 1.00 0.00 C ATOM 58 CG GLN A 4 -8.599 -10.198 3.201 1.00 0.00 C ATOM 59 CD GLN A 4 -7.597 -10.530 4.305 1.00 0.00 C ATOM 60 OE1 GLN A 4 -6.966 -9.651 4.858 1.00 0.00 O ATOM 61 NE2 GLN A 4 -7.425 -11.776 4.650 1.00 0.00 N ATOM 0 H GLN A 4 -9.779 -10.408 1.407 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.759 -8.971 3.113 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.365 -8.468 4.250 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.256 -9.943 4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -8.983 -11.116 2.756 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.107 -9.639 2.405 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.956 -12.512 4.184 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.760 -12.014 5.385 1.00 0.00 H new ATOM 70 N HIS A 5 -10.844 -6.588 2.750 1.00 0.00 N ATOM 71 CA HIS A 5 -10.589 -5.210 2.239 1.00 0.00 C ATOM 72 C HIS A 5 -9.265 -4.667 2.783 1.00 0.00 C ATOM 73 O HIS A 5 -8.991 -4.728 3.966 1.00 0.00 O ATOM 74 CB HIS A 5 -11.728 -4.296 2.692 1.00 0.00 C ATOM 75 CG HIS A 5 -11.998 -4.517 4.155 1.00 0.00 C ATOM 76 ND1 HIS A 5 -12.589 -5.681 4.632 1.00 0.00 N ATOM 77 CD2 HIS A 5 -11.764 -3.735 5.259 1.00 0.00 C ATOM 78 CE1 HIS A 5 -12.690 -5.565 5.969 1.00 0.00 C ATOM 79 NE2 HIS A 5 -12.202 -4.401 6.397 1.00 0.00 N ATOM 0 H HIS A 5 -11.360 -6.631 3.629 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.533 -5.241 1.151 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.465 -3.253 2.514 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.627 -4.502 2.110 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.310 -2.755 5.245 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -13.113 -6.320 6.614 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -12.159 -4.068 7.360 1.00 0.00 H new ATOM 87 N LEU A 6 -8.449 -4.121 1.920 1.00 0.00 N ATOM 88 CA LEU A 6 -7.142 -3.547 2.358 1.00 0.00 C ATOM 89 C LEU A 6 -7.330 -2.044 2.589 1.00 0.00 C ATOM 90 O LEU A 6 -7.858 -1.341 1.752 1.00 0.00 O ATOM 91 CB LEU A 6 -6.090 -3.767 1.248 1.00 0.00 C ATOM 92 CG LEU A 6 -5.306 -5.097 1.423 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.150 -6.199 2.084 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.848 -5.592 0.046 1.00 0.00 C ATOM 0 H LEU A 6 -8.634 -4.047 0.920 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.804 -4.030 3.275 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.586 -3.767 0.277 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.388 -2.933 1.247 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.458 -4.891 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.553 -7.106 2.182 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.471 -5.868 3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.025 -6.406 1.468 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.297 -6.525 0.160 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.718 -5.760 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.203 -4.843 -0.414 1.00 0.00 H new ATOM 106 N CYS A 7 -6.894 -1.546 3.714 1.00 0.00 N ATOM 107 CA CYS A 7 -7.040 -0.087 3.997 1.00 0.00 C ATOM 108 C CYS A 7 -5.812 0.407 4.760 1.00 0.00 C ATOM 109 O CYS A 7 -5.458 -0.118 5.797 1.00 0.00 O ATOM 110 CB CYS A 7 -8.295 0.144 4.841 1.00 0.00 C ATOM 111 SG CYS A 7 -9.746 -0.446 3.936 1.00 0.00 S ATOM 0 H CYS A 7 -6.442 -2.087 4.452 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.128 0.460 3.059 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.208 -0.381 5.792 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -8.402 1.204 5.070 1.00 0.00 H new ATOM 116 N GLY A 8 -5.164 1.419 4.254 1.00 0.00 N ATOM 117 CA GLY A 8 -3.958 1.959 4.950 1.00 0.00 C ATOM 118 C GLY A 8 -2.788 0.974 4.828 1.00 0.00 C ATOM 119 O GLY A 8 -2.671 0.245 3.863 1.00 0.00 O ATOM 0 H GLY A 8 -5.416 1.897 3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.680 2.920 4.518 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -4.185 2.136 6.001 1.00 0.00 H new ATOM 123 N SER A 9 -1.916 0.959 5.804 1.00 0.00 N ATOM 124 CA SER A 9 -0.740 0.036 5.761 1.00 0.00 C ATOM 125 C SER A 9 -1.178 -1.361 5.315 1.00 0.00 C ATOM 126 O SER A 9 -0.422 -2.085 4.699 1.00 0.00 O ATOM 127 CB SER A 9 -0.114 -0.051 7.154 1.00 0.00 C ATOM 128 OG SER A 9 0.411 1.221 7.513 1.00 0.00 O ATOM 0 H SER A 9 -1.968 1.550 6.634 1.00 0.00 H new ATOM 0 HA SER A 9 -0.011 0.423 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.861 -0.368 7.882 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.678 -0.800 7.163 1.00 0.00 H new ATOM 0 HG SER A 9 0.811 1.169 8.406 1.00 0.00 H new ATOM 134 N ASP A 10 -2.389 -1.752 5.614 1.00 0.00 N ATOM 135 CA ASP A 10 -2.855 -3.104 5.195 1.00 0.00 C ATOM 136 C ASP A 10 -2.525 -3.302 3.715 1.00 0.00 C ATOM 137 O ASP A 10 -1.943 -4.294 3.323 1.00 0.00 O ATOM 138 CB ASP A 10 -4.369 -3.207 5.406 1.00 0.00 C ATOM 139 CG ASP A 10 -4.667 -3.466 6.885 1.00 0.00 C ATOM 140 OD1 ASP A 10 -3.963 -2.916 7.716 1.00 0.00 O ATOM 141 OD2 ASP A 10 -5.593 -4.210 7.161 1.00 0.00 O ATOM 0 H ASP A 10 -3.072 -1.195 6.128 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.358 -3.872 5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.854 -2.286 5.083 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.777 -4.013 4.796 1.00 0.00 H new ATOM 146 N LEU A 11 -2.888 -2.358 2.894 1.00 0.00 N ATOM 147 CA LEU A 11 -2.592 -2.482 1.443 1.00 0.00 C ATOM 148 C LEU A 11 -1.087 -2.695 1.253 1.00 0.00 C ATOM 149 O LEU A 11 -0.658 -3.651 0.638 1.00 0.00 O ATOM 150 CB LEU A 11 -3.026 -1.196 0.717 1.00 0.00 C ATOM 151 CG LEU A 11 -2.549 -1.224 -0.742 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.973 -2.521 -1.414 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.166 -0.056 -1.515 1.00 0.00 C ATOM 0 H LEU A 11 -3.377 -1.505 3.166 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.137 -3.330 1.029 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -4.111 -1.099 0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.612 -0.325 1.226 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.462 -1.146 -0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.627 -2.525 -2.448 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.536 -3.366 -0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.060 -2.602 -1.395 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.823 -0.083 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.253 -0.137 -1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.862 0.885 -1.056 1.00 0.00 H new ATOM 165 N VAL A 12 -0.285 -1.804 1.771 1.00 0.00 N ATOM 166 CA VAL A 12 1.194 -1.942 1.616 1.00 0.00 C ATOM 167 C VAL A 12 1.618 -3.381 1.915 1.00 0.00 C ATOM 168 O VAL A 12 2.086 -4.092 1.048 1.00 0.00 O ATOM 169 CB VAL A 12 1.901 -1.001 2.596 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.401 -0.970 2.290 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.331 0.411 2.453 1.00 0.00 C ATOM 0 H VAL A 12 -0.590 -0.984 2.296 1.00 0.00 H new ATOM 0 HA VAL A 12 1.468 -1.687 0.592 1.00 0.00 H new ATOM 0 HB VAL A 12 1.743 -1.360 3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.901 -0.300 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.814 -1.974 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.557 -0.615 1.271 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.835 1.079 3.151 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.488 0.765 1.434 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.263 0.396 2.672 1.00 0.00 H new ATOM 181 N GLU A 13 1.464 -3.814 3.136 1.00 0.00 N ATOM 182 CA GLU A 13 1.866 -5.205 3.487 1.00 0.00 C ATOM 183 C GLU A 13 1.308 -6.172 2.448 1.00 0.00 C ATOM 184 O GLU A 13 1.881 -7.205 2.181 1.00 0.00 O ATOM 185 CB GLU A 13 1.310 -5.566 4.864 1.00 0.00 C ATOM 186 CG GLU A 13 1.832 -4.575 5.906 1.00 0.00 C ATOM 187 CD GLU A 13 1.323 -4.977 7.291 1.00 0.00 C ATOM 188 OE1 GLU A 13 0.288 -5.620 7.357 1.00 0.00 O ATOM 189 OE2 GLU A 13 1.977 -4.635 8.263 1.00 0.00 O ATOM 0 H GLU A 13 1.078 -3.266 3.905 1.00 0.00 H new ATOM 0 HA GLU A 13 2.954 -5.274 3.504 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.220 -5.547 4.843 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.606 -6.580 5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.922 -4.562 5.897 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.499 -3.566 5.663 1.00 0.00 H new ATOM 196 N ALA A 14 0.193 -5.842 1.857 1.00 0.00 N ATOM 197 CA ALA A 14 -0.398 -6.745 0.832 1.00 0.00 C ATOM 198 C ALA A 14 0.358 -6.571 -0.491 1.00 0.00 C ATOM 199 O ALA A 14 0.854 -7.527 -1.053 1.00 0.00 O ATOM 200 CB ALA A 14 -1.897 -6.419 0.670 1.00 0.00 C ATOM 0 H ALA A 14 -0.333 -4.987 2.040 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.307 -7.785 1.144 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.334 -7.078 -0.080 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.406 -6.565 1.623 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.012 -5.382 0.353 1.00 0.00 H new ATOM 206 N LEU A 15 0.469 -5.372 -0.999 1.00 0.00 N ATOM 207 CA LEU A 15 1.211 -5.204 -2.279 1.00 0.00 C ATOM 208 C LEU A 15 2.578 -5.885 -2.148 1.00 0.00 C ATOM 209 O LEU A 15 3.097 -6.449 -3.090 1.00 0.00 O ATOM 210 CB LEU A 15 1.431 -3.719 -2.601 1.00 0.00 C ATOM 211 CG LEU A 15 0.137 -3.075 -3.149 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.167 -1.556 -2.917 1.00 0.00 C ATOM 213 CD2 LEU A 15 0.021 -3.322 -4.659 1.00 0.00 C ATOM 0 H LEU A 15 0.086 -4.519 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 15 0.625 -5.652 -3.082 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.752 -3.192 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.231 -3.616 -3.334 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.711 -3.521 -2.629 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.748 -1.110 -3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.244 -1.353 -1.849 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.027 -1.126 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.894 -2.864 -5.033 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.880 -2.883 -5.166 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.005 -4.395 -4.851 1.00 0.00 H new ATOM 225 N TYR A 16 3.167 -5.822 -0.983 1.00 0.00 N ATOM 226 CA TYR A 16 4.503 -6.449 -0.787 1.00 0.00 C ATOM 227 C TYR A 16 4.502 -7.890 -1.315 1.00 0.00 C ATOM 228 O TYR A 16 5.379 -8.274 -2.061 1.00 0.00 O ATOM 229 CB TYR A 16 4.865 -6.421 0.698 1.00 0.00 C ATOM 230 CG TYR A 16 6.184 -7.130 0.910 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.353 -6.624 0.329 1.00 0.00 C ATOM 232 CD2 TYR A 16 6.237 -8.290 1.687 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.574 -7.280 0.527 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.457 -8.947 1.886 1.00 0.00 C ATOM 235 CZ TYR A 16 8.626 -8.442 1.305 1.00 0.00 C ATOM 236 OH TYR A 16 9.830 -9.088 1.501 1.00 0.00 O ATOM 0 H TYR A 16 2.779 -5.363 -0.159 1.00 0.00 H new ATOM 0 HA TYR A 16 5.249 -5.885 -1.347 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.934 -5.391 1.047 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.082 -6.904 1.283 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.313 -5.728 -0.272 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.335 -8.680 2.135 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.476 -6.889 0.079 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.496 -9.843 2.488 1.00 0.00 H new ATOM 0 HH TYR A 16 9.690 -9.877 2.066 1.00 0.00 H new ATOM 246 N LEU A 17 3.532 -8.695 -0.960 1.00 0.00 N ATOM 247 CA LEU A 17 3.521 -10.094 -1.487 1.00 0.00 C ATOM 248 C LEU A 17 3.219 -10.047 -2.980 1.00 0.00 C ATOM 249 O LEU A 17 3.900 -10.642 -3.791 1.00 0.00 O ATOM 250 CB LEU A 17 2.422 -10.930 -0.825 1.00 0.00 C ATOM 251 CG LEU A 17 2.601 -10.985 0.699 1.00 0.00 C ATOM 252 CD1 LEU A 17 2.265 -9.622 1.328 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.671 -12.072 1.270 1.00 0.00 C ATOM 0 H LEU A 17 2.760 -8.451 -0.339 1.00 0.00 H new ATOM 0 HA LEU A 17 4.492 -10.544 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.447 -10.506 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.437 -11.941 -1.231 1.00 0.00 H new ATOM 0 HG LEU A 17 3.638 -11.224 0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.397 -9.678 2.409 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.929 -8.860 0.920 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.231 -9.362 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.790 -12.120 2.352 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.636 -11.829 1.029 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.928 -13.037 0.833 1.00 0.00 H new ATOM 265 N VAL A 18 2.180 -9.347 -3.337 1.00 0.00 N ATOM 266 CA VAL A 18 1.788 -9.250 -4.766 1.00 0.00 C ATOM 267 C VAL A 18 2.990 -8.848 -5.617 1.00 0.00 C ATOM 268 O VAL A 18 3.381 -9.543 -6.534 1.00 0.00 O ATOM 269 CB VAL A 18 0.704 -8.185 -4.915 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.260 -8.110 -6.358 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.500 -8.528 -4.053 1.00 0.00 C ATOM 0 H VAL A 18 1.580 -8.833 -2.691 1.00 0.00 H new ATOM 0 HA VAL A 18 1.418 -10.220 -5.099 1.00 0.00 H new ATOM 0 HB VAL A 18 1.116 -7.227 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.514 -7.349 -6.462 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.111 -7.850 -6.988 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.138 -9.077 -6.667 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.263 -7.759 -4.171 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.906 -9.492 -4.361 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.196 -8.580 -3.008 1.00 0.00 H new ATOM 281 N CYS A 19 3.564 -7.716 -5.332 1.00 0.00 N ATOM 282 CA CYS A 19 4.725 -7.245 -6.133 1.00 0.00 C ATOM 283 C CYS A 19 5.980 -8.021 -5.732 1.00 0.00 C ATOM 284 O CYS A 19 6.917 -8.150 -6.494 1.00 0.00 O ATOM 285 CB CYS A 19 4.932 -5.756 -5.864 1.00 0.00 C ATOM 286 SG CYS A 19 3.329 -4.911 -5.822 1.00 0.00 S ATOM 0 H CYS A 19 3.278 -7.094 -4.576 1.00 0.00 H new ATOM 0 HA CYS A 19 4.534 -7.409 -7.194 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.452 -5.617 -4.916 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.562 -5.321 -6.640 1.00 0.00 H new ATOM 291 N GLY A 20 6.000 -8.547 -4.545 1.00 0.00 N ATOM 292 CA GLY A 20 7.187 -9.325 -4.093 1.00 0.00 C ATOM 293 C GLY A 20 8.468 -8.524 -4.337 1.00 0.00 C ATOM 294 O GLY A 20 8.605 -7.399 -3.897 1.00 0.00 O ATOM 0 H GLY A 20 5.245 -8.473 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 20 7.094 -9.562 -3.033 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.235 -10.273 -4.628 1.00 0.00 H new ATOM 298 N GLU A 21 9.414 -9.105 -5.023 1.00 0.00 N ATOM 299 CA GLU A 21 10.700 -8.395 -5.287 1.00 0.00 C ATOM 300 C GLU A 21 10.518 -7.367 -6.402 1.00 0.00 C ATOM 301 O GLU A 21 11.353 -6.509 -6.607 1.00 0.00 O ATOM 302 CB GLU A 21 11.754 -9.412 -5.719 1.00 0.00 C ATOM 303 CG GLU A 21 12.109 -10.308 -4.535 1.00 0.00 C ATOM 304 CD GLU A 21 13.251 -11.246 -4.928 1.00 0.00 C ATOM 305 OE1 GLU A 21 14.024 -10.875 -5.797 1.00 0.00 O ATOM 306 OE2 GLU A 21 13.334 -12.320 -4.354 1.00 0.00 O ATOM 0 H GLU A 21 9.352 -10.045 -5.414 1.00 0.00 H new ATOM 0 HA GLU A 21 11.016 -7.885 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.377 -10.015 -6.545 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.645 -8.898 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.403 -9.699 -3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 21 11.238 -10.887 -4.230 1.00 0.00 H new ATOM 313 N ARG A 22 9.444 -7.447 -7.131 1.00 0.00 N ATOM 314 CA ARG A 22 9.231 -6.474 -8.236 1.00 0.00 C ATOM 315 C ARG A 22 9.279 -5.053 -7.676 1.00 0.00 C ATOM 316 O ARG A 22 9.614 -4.114 -8.370 1.00 0.00 O ATOM 317 CB ARG A 22 7.863 -6.714 -8.881 1.00 0.00 C ATOM 318 CG ARG A 22 7.759 -8.173 -9.367 1.00 0.00 C ATOM 319 CD ARG A 22 6.280 -8.568 -9.616 1.00 0.00 C ATOM 320 NE ARG A 22 6.126 -9.185 -10.979 1.00 0.00 N ATOM 321 CZ ARG A 22 6.520 -8.568 -12.063 1.00 0.00 C ATOM 322 NH1 ARG A 22 6.983 -7.351 -11.995 1.00 0.00 N ATOM 323 NH2 ARG A 22 6.425 -9.163 -13.220 1.00 0.00 N ATOM 0 H ARG A 22 8.706 -8.141 -7.011 1.00 0.00 H new ATOM 0 HA ARG A 22 10.013 -6.604 -8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.071 -6.504 -8.162 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.722 -6.032 -9.719 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.332 -8.296 -10.286 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.198 -8.840 -8.625 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.951 -9.272 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.643 -7.688 -9.534 1.00 0.00 H new ATOM 0 HE ARG A 22 5.703 -10.110 -11.060 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.039 -6.876 -11.094 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.289 -6.874 -12.843 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.044 -10.107 -13.278 1.00 0.00 H new ATOM 0 HH22 ARG A 22 6.732 -8.684 -14.067 1.00 0.00 H new ATOM 337 N GLY A 23 8.936 -4.885 -6.428 1.00 0.00 N ATOM 338 CA GLY A 23 8.952 -3.521 -5.834 1.00 0.00 C ATOM 339 C GLY A 23 7.736 -2.755 -6.348 1.00 0.00 C ATOM 340 O GLY A 23 7.211 -3.053 -7.402 1.00 0.00 O ATOM 0 H GLY A 23 8.646 -5.632 -5.797 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.930 -3.581 -4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.870 -3.000 -6.105 1.00 0.00 H new ATOM 344 N PHE A 24 7.268 -1.781 -5.618 1.00 0.00 N ATOM 345 CA PHE A 24 6.078 -1.025 -6.084 1.00 0.00 C ATOM 346 C PHE A 24 6.045 0.359 -5.448 1.00 0.00 C ATOM 347 O PHE A 24 6.827 0.682 -4.576 1.00 0.00 O ATOM 348 CB PHE A 24 4.817 -1.795 -5.699 1.00 0.00 C ATOM 349 CG PHE A 24 4.635 -1.778 -4.196 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.206 -2.786 -3.413 1.00 0.00 C ATOM 351 CD2 PHE A 24 3.888 -0.759 -3.588 1.00 0.00 C ATOM 352 CE1 PHE A 24 5.030 -2.780 -2.025 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.714 -0.754 -2.199 1.00 0.00 C ATOM 354 CZ PHE A 24 4.283 -1.764 -1.420 1.00 0.00 C ATOM 0 H PHE A 24 7.657 -1.479 -4.725 1.00 0.00 H new ATOM 0 HA PHE A 24 6.129 -0.909 -7.167 1.00 0.00 H new ATOM 0 HB2 PHE A 24 3.948 -1.350 -6.183 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.887 -2.824 -6.053 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.783 -3.570 -3.880 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.447 0.021 -4.191 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.471 -3.559 -1.421 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.140 0.031 -1.730 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.146 -1.760 -0.349 1.00 0.00 H new ATOM 364 N PHE A 25 5.130 1.172 -5.893 1.00 0.00 N ATOM 365 CA PHE A 25 4.987 2.554 -5.351 1.00 0.00 C ATOM 366 C PHE A 25 3.608 2.702 -4.715 1.00 0.00 C ATOM 367 O PHE A 25 2.618 2.245 -5.249 1.00 0.00 O ATOM 368 CB PHE A 25 5.109 3.556 -6.503 1.00 0.00 C ATOM 369 CG PHE A 25 4.101 3.208 -7.578 1.00 0.00 C ATOM 370 CD1 PHE A 25 2.764 3.615 -7.452 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.503 2.472 -8.699 1.00 0.00 C ATOM 372 CE1 PHE A 25 1.832 3.284 -8.447 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.572 2.143 -9.693 1.00 0.00 C ATOM 374 CZ PHE A 25 2.238 2.549 -9.566 1.00 0.00 C ATOM 0 H PHE A 25 4.461 0.933 -6.625 1.00 0.00 H new ATOM 0 HA PHE A 25 5.762 2.741 -4.608 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.935 4.569 -6.139 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.118 3.534 -6.914 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.452 4.184 -6.588 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.532 2.158 -8.798 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.803 3.596 -8.349 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.884 1.576 -10.558 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.521 2.294 -10.333 1.00 0.00 H new ATOM 384 N TYR A 26 3.523 3.349 -3.588 1.00 0.00 N ATOM 385 CA TYR A 26 2.191 3.533 -2.954 1.00 0.00 C ATOM 386 C TYR A 26 1.472 4.649 -3.707 1.00 0.00 C ATOM 387 O TYR A 26 2.053 5.315 -4.541 1.00 0.00 O ATOM 388 CB TYR A 26 2.345 3.905 -1.470 1.00 0.00 C ATOM 389 CG TYR A 26 1.071 3.549 -0.730 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.705 2.205 -0.585 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.252 4.557 -0.199 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.475 1.872 0.092 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.927 4.219 0.477 1.00 0.00 C ATOM 394 CZ TYR A 26 -1.289 2.878 0.623 1.00 0.00 C ATOM 395 OH TYR A 26 -2.451 2.545 1.289 1.00 0.00 O ATOM 0 H TYR A 26 4.311 3.755 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 26 1.618 2.607 -3.003 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.192 3.374 -1.036 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.552 4.970 -1.370 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.332 1.427 -0.995 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.531 5.594 -0.312 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.757 0.836 0.204 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.557 4.996 0.886 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.898 3.362 1.596 1.00 0.00 H new ATOM 405 N THR A 27 0.220 4.859 -3.442 1.00 0.00 N ATOM 406 CA THR A 27 -0.505 5.928 -4.173 1.00 0.00 C ATOM 407 C THR A 27 0.100 7.294 -3.830 1.00 0.00 C ATOM 408 O THR A 27 1.003 7.399 -3.024 1.00 0.00 O ATOM 409 CB THR A 27 -1.983 5.895 -3.803 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.647 6.935 -4.493 1.00 0.00 O ATOM 411 CG2 THR A 27 -2.150 6.076 -2.293 1.00 0.00 C ATOM 0 H THR A 27 -0.331 4.342 -2.757 1.00 0.00 H new ATOM 0 HA THR A 27 -0.408 5.761 -5.246 1.00 0.00 H new ATOM 0 HB THR A 27 -2.412 4.933 -4.084 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.612 6.865 -4.340 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.210 6.051 -2.039 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.632 5.271 -1.771 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.727 7.035 -1.993 1.00 0.00 H new ATOM 419 N ASP A 28 -0.370 8.335 -4.470 1.00 0.00 N ATOM 420 CA ASP A 28 0.191 9.699 -4.225 1.00 0.00 C ATOM 421 C ASP A 28 0.430 9.919 -2.703 1.00 0.00 C ATOM 422 O ASP A 28 -0.309 9.390 -1.898 1.00 0.00 O ATOM 423 CB ASP A 28 -0.807 10.752 -4.773 1.00 0.00 C ATOM 424 CG ASP A 28 -0.131 11.647 -5.823 1.00 0.00 C ATOM 425 OD1 ASP A 28 0.270 11.123 -6.849 1.00 0.00 O ATOM 426 OD2 ASP A 28 -0.027 12.838 -5.580 1.00 0.00 O ATOM 0 H ASP A 28 -1.124 8.298 -5.156 1.00 0.00 H new ATOM 0 HA ASP A 28 1.149 9.801 -4.735 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.667 10.249 -5.216 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.183 11.365 -3.954 1.00 0.00 H new ATOM 431 N PRO A 29 1.446 10.699 -2.344 1.00 0.00 N ATOM 432 CA PRO A 29 1.756 10.985 -0.921 1.00 0.00 C ATOM 433 C PRO A 29 0.778 12.031 -0.357 1.00 0.00 C ATOM 434 O PRO A 29 0.816 12.357 0.813 1.00 0.00 O ATOM 435 CB PRO A 29 3.175 11.583 -0.965 1.00 0.00 C ATOM 436 CG PRO A 29 3.383 12.107 -2.405 1.00 0.00 C ATOM 437 CD PRO A 29 2.379 11.352 -3.298 1.00 0.00 C ATOM 0 HA PRO A 29 1.678 10.098 -0.292 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.279 12.390 -0.239 1.00 0.00 H new ATOM 0 HB3 PRO A 29 3.922 10.830 -0.714 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.213 13.182 -2.454 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.406 11.931 -2.737 1.00 0.00 H new ATOM 0 HD2 PRO A 29 1.851 12.034 -3.965 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.882 10.617 -3.926 1.00 0.00 H new ATOM 445 N THR A 30 -0.054 12.595 -1.186 1.00 0.00 N ATOM 446 CA THR A 30 -0.984 13.659 -0.703 1.00 0.00 C ATOM 447 C THR A 30 -1.802 13.173 0.496 1.00 0.00 C ATOM 448 O THR A 30 -2.004 13.899 1.448 1.00 0.00 O ATOM 449 CB THR A 30 -1.918 14.059 -1.846 1.00 0.00 C ATOM 450 OG1 THR A 30 -2.790 12.978 -2.145 1.00 0.00 O ATOM 451 CG2 THR A 30 -1.082 14.405 -3.081 1.00 0.00 C ATOM 0 H THR A 30 -0.132 12.367 -2.177 1.00 0.00 H new ATOM 0 HA THR A 30 -0.399 14.520 -0.381 1.00 0.00 H new ATOM 0 HB THR A 30 -2.509 14.926 -1.552 1.00 0.00 H new ATOM 0 HG1 THR A 30 -3.390 13.234 -2.876 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.743 14.691 -3.899 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.414 15.234 -2.848 1.00 0.00 H new ATOM 0 HG23 THR A 30 -0.493 13.537 -3.377 1.00 0.00 H new ATOM 459 N GLY A 31 -2.267 11.960 0.473 1.00 0.00 N ATOM 460 CA GLY A 31 -3.058 11.450 1.632 1.00 0.00 C ATOM 461 C GLY A 31 -4.399 12.192 1.730 1.00 0.00 C ATOM 462 O GLY A 31 -5.307 11.752 2.407 1.00 0.00 O ATOM 0 H GLY A 31 -2.137 11.298 -0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -3.234 10.380 1.518 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.492 11.584 2.554 1.00 0.00 H new ATOM 466 N GLY A 32 -4.536 13.311 1.063 1.00 0.00 N ATOM 467 CA GLY A 32 -5.825 14.073 1.123 1.00 0.00 C ATOM 468 C GLY A 32 -6.692 13.686 -0.072 1.00 0.00 C ATOM 469 O GLY A 32 -7.892 13.876 -0.078 1.00 0.00 O ATOM 0 H GLY A 32 -3.812 13.731 0.479 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.348 13.853 2.054 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.629 15.145 1.113 1.00 0.00 H new ATOM 473 N GLY A 33 -6.085 13.130 -1.077 1.00 0.00 N ATOM 474 CA GLY A 33 -6.840 12.701 -2.281 1.00 0.00 C ATOM 475 C GLY A 33 -5.878 11.965 -3.220 1.00 0.00 C ATOM 476 O GLY A 33 -5.740 12.336 -4.368 1.00 0.00 O ATOM 0 H GLY A 33 -5.081 12.952 -1.116 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.666 12.049 -1.998 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -7.274 13.565 -2.784 1.00 0.00 H new ATOM 480 N PRO A 34 -5.222 10.945 -2.701 1.00 0.00 N ATOM 481 CA PRO A 34 -4.251 10.162 -3.488 1.00 0.00 C ATOM 482 C PRO A 34 -4.971 9.352 -4.573 1.00 0.00 C ATOM 483 O PRO A 34 -6.167 9.457 -4.759 1.00 0.00 O ATOM 484 CB PRO A 34 -3.604 9.219 -2.455 1.00 0.00 C ATOM 485 CG PRO A 34 -4.542 9.193 -1.230 1.00 0.00 C ATOM 486 CD PRO A 34 -5.385 10.477 -1.301 1.00 0.00 C ATOM 0 HA PRO A 34 -3.521 10.790 -4.000 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.480 8.218 -2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.612 9.573 -2.175 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.179 8.309 -1.247 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.969 9.155 -0.303 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.431 10.280 -1.067 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -5.034 11.223 -0.588 1.00 0.00 H new ATOM 494 N ARG A 35 -4.238 8.532 -5.273 1.00 0.00 N ATOM 495 CA ARG A 35 -4.851 7.690 -6.335 1.00 0.00 C ATOM 496 C ARG A 35 -5.960 6.834 -5.714 1.00 0.00 C ATOM 497 O ARG A 35 -5.734 5.715 -5.299 1.00 0.00 O ATOM 498 CB ARG A 35 -3.771 6.777 -6.938 1.00 0.00 C ATOM 499 CG ARG A 35 -4.186 6.322 -8.339 1.00 0.00 C ATOM 500 CD ARG A 35 -3.132 5.357 -8.890 1.00 0.00 C ATOM 501 NE ARG A 35 -3.391 5.116 -10.337 1.00 0.00 N ATOM 502 CZ ARG A 35 -2.469 4.571 -11.082 1.00 0.00 C ATOM 503 NH1 ARG A 35 -1.326 4.224 -10.556 1.00 0.00 N ATOM 504 NH2 ARG A 35 -2.692 4.369 -12.352 1.00 0.00 N ATOM 0 H ARG A 35 -3.233 8.409 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 35 -5.272 8.321 -7.118 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.821 7.309 -6.987 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.618 5.909 -6.296 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -5.159 5.833 -8.302 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -4.287 7.184 -8.999 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -2.134 5.773 -8.752 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -3.163 4.415 -8.342 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.289 5.377 -10.745 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -1.154 4.379 -9.563 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.605 3.798 -11.138 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.587 4.637 -12.762 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -1.971 3.943 -12.935 1.00 0.00 H new ATOM 518 N ARG A 36 -7.157 7.344 -5.649 1.00 0.00 N ATOM 519 CA ARG A 36 -8.261 6.541 -5.058 1.00 0.00 C ATOM 520 C ARG A 36 -8.405 5.253 -5.865 1.00 0.00 C ATOM 521 O ARG A 36 -9.170 4.373 -5.531 1.00 0.00 O ATOM 522 CB ARG A 36 -9.566 7.343 -5.117 1.00 0.00 C ATOM 523 CG ARG A 36 -9.274 8.816 -4.807 1.00 0.00 C ATOM 524 CD ARG A 36 -10.589 9.579 -4.526 1.00 0.00 C ATOM 525 NE ARG A 36 -10.587 10.891 -5.251 1.00 0.00 N ATOM 526 CZ ARG A 36 -9.548 11.685 -5.216 1.00 0.00 C ATOM 527 NH1 ARG A 36 -8.523 11.402 -4.461 1.00 0.00 N ATOM 528 NH2 ARG A 36 -9.551 12.785 -5.918 1.00 0.00 N ATOM 0 H ARG A 36 -7.417 8.274 -5.977 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.041 6.304 -4.017 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -10.018 7.251 -6.105 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -10.283 6.944 -4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.613 8.888 -3.944 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.753 9.275 -5.647 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.442 8.980 -4.845 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.700 9.747 -3.455 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.412 11.170 -5.782 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -8.527 10.556 -3.892 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.717 12.027 -4.440 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.361 13.022 -6.491 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.743 13.407 -5.894 1.00 0.00 H new ATOM 542 N GLY A 37 -7.669 5.148 -6.934 1.00 0.00 N ATOM 543 CA GLY A 37 -7.751 3.931 -7.784 1.00 0.00 C ATOM 544 C GLY A 37 -7.189 2.719 -7.037 1.00 0.00 C ATOM 545 O GLY A 37 -7.551 1.599 -7.326 1.00 0.00 O ATOM 0 H GLY A 37 -7.011 5.857 -7.257 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.788 3.745 -8.064 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -7.194 4.087 -8.708 1.00 0.00 H new ATOM 549 N ILE A 38 -6.293 2.920 -6.092 1.00 0.00 N ATOM 550 CA ILE A 38 -5.710 1.751 -5.344 1.00 0.00 C ATOM 551 C ILE A 38 -6.368 1.618 -3.955 1.00 0.00 C ATOM 552 O ILE A 38 -6.848 0.564 -3.588 1.00 0.00 O ATOM 553 CB ILE A 38 -4.157 1.926 -5.233 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.413 0.584 -5.475 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.721 2.498 -3.870 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.123 -0.608 -4.804 1.00 0.00 C ATOM 0 H ILE A 38 -5.943 3.835 -5.808 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.914 0.829 -5.889 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.886 2.640 -6.010 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.336 0.402 -6.547 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.396 0.661 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.636 2.598 -3.848 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.179 3.476 -3.723 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.039 1.825 -3.074 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.564 -1.523 -5.002 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.176 -0.441 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.131 -0.704 -5.206 1.00 0.00 H new ATOM 568 N VAL A 39 -6.343 2.657 -3.161 1.00 0.00 N ATOM 569 CA VAL A 39 -6.909 2.552 -1.784 1.00 0.00 C ATOM 570 C VAL A 39 -8.412 2.263 -1.814 1.00 0.00 C ATOM 571 O VAL A 39 -8.850 1.232 -1.357 1.00 0.00 O ATOM 572 CB VAL A 39 -6.656 3.858 -1.020 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.848 3.609 0.478 1.00 0.00 C ATOM 574 CG2 VAL A 39 -5.222 4.348 -1.282 1.00 0.00 C ATOM 0 H VAL A 39 -5.957 3.569 -3.405 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.413 1.722 -1.281 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.359 4.619 -1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.669 4.534 1.026 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.867 3.269 0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -6.145 2.847 0.813 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -5.049 5.276 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.512 3.592 -0.946 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.087 4.524 -2.349 1.00 0.00 H new ATOM 584 N GLU A 40 -9.208 3.160 -2.321 1.00 0.00 N ATOM 585 CA GLU A 40 -10.680 2.911 -2.337 1.00 0.00 C ATOM 586 C GLU A 40 -10.988 1.595 -3.055 1.00 0.00 C ATOM 587 O GLU A 40 -11.774 0.795 -2.589 1.00 0.00 O ATOM 588 CB GLU A 40 -11.392 4.057 -3.056 1.00 0.00 C ATOM 589 CG GLU A 40 -11.220 5.354 -2.257 1.00 0.00 C ATOM 590 CD GLU A 40 -12.231 6.394 -2.745 1.00 0.00 C ATOM 591 OE1 GLU A 40 -13.340 6.005 -3.072 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.879 7.562 -2.783 1.00 0.00 O ATOM 0 H GLU A 40 -8.909 4.049 -2.723 1.00 0.00 H new ATOM 0 HA GLU A 40 -11.033 2.848 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.983 4.180 -4.059 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.451 3.826 -3.169 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.366 5.161 -1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -10.205 5.734 -2.375 1.00 0.00 H new ATOM 599 N GLN A 41 -10.386 1.365 -4.186 1.00 0.00 N ATOM 600 CA GLN A 41 -10.661 0.102 -4.930 1.00 0.00 C ATOM 601 C GLN A 41 -10.588 -1.095 -3.981 1.00 0.00 C ATOM 602 O GLN A 41 -11.527 -1.854 -3.851 1.00 0.00 O ATOM 603 CB GLN A 41 -9.627 -0.070 -6.045 1.00 0.00 C ATOM 604 CG GLN A 41 -10.038 -1.233 -6.949 1.00 0.00 C ATOM 605 CD GLN A 41 -8.955 -1.479 -7.990 1.00 0.00 C ATOM 606 OE1 GLN A 41 -7.779 -1.468 -7.682 1.00 0.00 O ATOM 607 NE2 GLN A 41 -9.307 -1.704 -9.221 1.00 0.00 N ATOM 0 H GLN A 41 -9.716 1.994 -4.629 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.661 0.155 -5.360 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.550 0.848 -6.628 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.643 -0.259 -5.616 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -10.194 -2.132 -6.353 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.984 -1.008 -7.441 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -10.295 -1.712 -9.476 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.596 -1.872 -9.932 1.00 0.00 H new ATOM 616 N CYS A 42 -9.474 -1.284 -3.333 1.00 0.00 N ATOM 617 CA CYS A 42 -9.332 -2.447 -2.410 1.00 0.00 C ATOM 618 C CYS A 42 -9.892 -2.118 -1.020 1.00 0.00 C ATOM 619 O CYS A 42 -10.318 -2.996 -0.296 1.00 0.00 O ATOM 620 CB CYS A 42 -7.853 -2.807 -2.298 1.00 0.00 C ATOM 621 SG CYS A 42 -7.206 -3.184 -3.943 1.00 0.00 S ATOM 0 H CYS A 42 -8.653 -0.683 -3.402 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.897 -3.289 -2.810 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.298 -1.979 -1.857 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.724 -3.665 -1.638 1.00 0.00 H new ATOM 626 N CYS A 43 -9.897 -0.871 -0.634 1.00 0.00 N ATOM 627 CA CYS A 43 -10.433 -0.509 0.714 1.00 0.00 C ATOM 628 C CYS A 43 -11.953 -0.378 0.638 1.00 0.00 C ATOM 629 O CYS A 43 -12.678 -0.964 1.418 1.00 0.00 O ATOM 630 CB CYS A 43 -9.826 0.820 1.183 1.00 0.00 C ATOM 631 SG CYS A 43 -10.362 1.162 2.879 1.00 0.00 S ATOM 0 H CYS A 43 -9.555 -0.088 -1.190 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.167 -1.291 1.425 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.738 0.772 1.137 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -10.138 1.628 0.522 1.00 0.00 H new ATOM 636 N HIS A 44 -12.441 0.388 -0.296 1.00 0.00 N ATOM 637 CA HIS A 44 -13.914 0.560 -0.423 1.00 0.00 C ATOM 638 C HIS A 44 -14.528 -0.714 -1.007 1.00 0.00 C ATOM 639 O HIS A 44 -15.684 -1.011 -0.782 1.00 0.00 O ATOM 640 CB HIS A 44 -14.211 1.743 -1.350 1.00 0.00 C ATOM 641 CG HIS A 44 -15.651 2.154 -1.200 1.00 0.00 C ATOM 642 ND1 HIS A 44 -16.045 3.170 -0.338 1.00 0.00 N ATOM 643 CD2 HIS A 44 -16.803 1.697 -1.793 1.00 0.00 C ATOM 644 CE1 HIS A 44 -17.382 3.290 -0.436 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.888 2.417 -1.307 1.00 0.00 N ATOM 0 H HIS A 44 -11.883 0.903 -0.977 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.344 0.752 0.560 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.556 2.580 -1.108 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -14.007 1.467 -2.385 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -16.857 0.903 -2.523 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -17.971 4.004 0.121 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -18.868 2.301 -1.564 1.00 0.00 H new ATOM 653 N SER A 45 -13.762 -1.469 -1.759 1.00 0.00 N ATOM 654 CA SER A 45 -14.302 -2.730 -2.366 1.00 0.00 C ATOM 655 C SER A 45 -13.272 -3.857 -2.229 1.00 0.00 C ATOM 656 O SER A 45 -12.090 -3.620 -2.079 1.00 0.00 O ATOM 657 CB SER A 45 -14.606 -2.490 -3.848 1.00 0.00 C ATOM 658 OG SER A 45 -15.186 -1.202 -4.005 1.00 0.00 O ATOM 0 H SER A 45 -12.787 -1.267 -1.979 1.00 0.00 H new ATOM 0 HA SER A 45 -15.216 -3.017 -1.847 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.691 -2.564 -4.436 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.286 -3.256 -4.220 1.00 0.00 H new ATOM 0 HG SER A 45 -15.381 -1.044 -4.952 1.00 0.00 H new ATOM 664 N ILE A 46 -13.720 -5.083 -2.284 1.00 0.00 N ATOM 665 CA ILE A 46 -12.785 -6.235 -2.163 1.00 0.00 C ATOM 666 C ILE A 46 -12.094 -6.468 -3.511 1.00 0.00 C ATOM 667 O ILE A 46 -12.653 -7.072 -4.406 1.00 0.00 O ATOM 668 CB ILE A 46 -13.588 -7.485 -1.777 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.636 -7.128 -0.714 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.654 -8.557 -1.223 1.00 0.00 C ATOM 671 CD1 ILE A 46 -13.960 -6.500 0.511 1.00 0.00 C ATOM 0 H ILE A 46 -14.700 -5.336 -2.408 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.033 -6.028 -1.401 1.00 0.00 H new ATOM 0 HB ILE A 46 -14.089 -7.866 -2.667 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.365 -6.433 -1.131 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.182 -8.023 -0.417 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.233 -9.440 -0.952 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.918 -8.825 -1.981 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.143 -8.173 -0.340 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.716 -6.252 1.256 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.249 -7.208 0.937 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.434 -5.593 0.212 1.00 0.00 H new ATOM 683 N CYS A 47 -10.884 -5.997 -3.668 1.00 0.00 N ATOM 684 CA CYS A 47 -10.165 -6.197 -4.965 1.00 0.00 C ATOM 685 C CYS A 47 -9.322 -7.470 -4.894 1.00 0.00 C ATOM 686 O CYS A 47 -8.918 -7.903 -3.833 1.00 0.00 O ATOM 687 CB CYS A 47 -9.253 -4.995 -5.243 1.00 0.00 C ATOM 688 SG CYS A 47 -7.749 -5.105 -4.237 1.00 0.00 S ATOM 0 H CYS A 47 -10.363 -5.484 -2.957 1.00 0.00 H new ATOM 0 HA CYS A 47 -10.896 -6.289 -5.769 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -8.991 -4.965 -6.301 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.782 -4.068 -5.020 1.00 0.00 H new ATOM 693 N SER A 48 -9.043 -8.067 -6.020 1.00 0.00 N ATOM 694 CA SER A 48 -8.215 -9.305 -6.028 1.00 0.00 C ATOM 695 C SER A 48 -6.739 -8.916 -6.130 1.00 0.00 C ATOM 696 O SER A 48 -6.402 -7.791 -6.442 1.00 0.00 O ATOM 697 CB SER A 48 -8.604 -10.171 -7.231 1.00 0.00 C ATOM 698 OG SER A 48 -8.889 -9.329 -8.341 1.00 0.00 O ATOM 0 H SER A 48 -9.354 -7.749 -6.938 1.00 0.00 H new ATOM 0 HA SER A 48 -8.383 -9.869 -5.111 1.00 0.00 H new ATOM 0 HB2 SER A 48 -7.793 -10.856 -7.478 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.474 -10.781 -6.989 1.00 0.00 H new ATOM 0 HG SER A 48 -9.137 -9.879 -9.114 1.00 0.00 H new ATOM 704 N LEU A 49 -5.861 -9.842 -5.881 1.00 0.00 N ATOM 705 CA LEU A 49 -4.409 -9.536 -5.975 1.00 0.00 C ATOM 706 C LEU A 49 -4.116 -9.051 -7.389 1.00 0.00 C ATOM 707 O LEU A 49 -3.264 -8.217 -7.620 1.00 0.00 O ATOM 708 CB LEU A 49 -3.599 -10.805 -5.698 1.00 0.00 C ATOM 709 CG LEU A 49 -4.049 -11.456 -4.379 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.017 -12.500 -3.947 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.158 -10.407 -3.273 1.00 0.00 C ATOM 0 H LEU A 49 -6.086 -10.801 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.137 -8.773 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.725 -11.510 -6.520 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.538 -10.562 -5.647 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.022 -11.920 -4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.336 -12.961 -3.012 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.929 -13.265 -4.718 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.050 -12.018 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.478 -10.886 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.187 -9.936 -3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.888 -9.650 -3.560 1.00 0.00 H new ATOM 723 N TYR A 50 -4.840 -9.575 -8.331 1.00 0.00 N ATOM 724 CA TYR A 50 -4.669 -9.188 -9.744 1.00 0.00 C ATOM 725 C TYR A 50 -4.541 -7.675 -9.862 1.00 0.00 C ATOM 726 O TYR A 50 -3.577 -7.153 -10.385 1.00 0.00 O ATOM 727 CB TYR A 50 -5.919 -9.655 -10.489 1.00 0.00 C ATOM 728 CG TYR A 50 -5.596 -9.854 -11.930 1.00 0.00 C ATOM 729 CD1 TYR A 50 -5.007 -11.043 -12.323 1.00 0.00 C ATOM 730 CD2 TYR A 50 -5.885 -8.858 -12.856 1.00 0.00 C ATOM 731 CE1 TYR A 50 -4.696 -11.256 -13.669 1.00 0.00 C ATOM 732 CE2 TYR A 50 -5.580 -9.058 -14.206 1.00 0.00 C ATOM 733 CZ TYR A 50 -4.984 -10.261 -14.615 1.00 0.00 C ATOM 734 OH TYR A 50 -4.680 -10.465 -15.946 1.00 0.00 O ATOM 0 H TYR A 50 -5.563 -10.276 -8.170 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.768 -9.639 -10.161 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.286 -10.586 -10.056 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -6.715 -8.918 -10.383 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.788 -11.806 -11.590 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.343 -7.934 -12.534 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.236 -12.183 -13.979 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -5.802 -8.289 -14.931 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.945 -9.678 -16.466 1.00 0.00 H new ATOM 744 N GLN A 51 -5.519 -6.976 -9.382 1.00 0.00 N ATOM 745 CA GLN A 51 -5.475 -5.492 -9.466 1.00 0.00 C ATOM 746 C GLN A 51 -4.273 -4.988 -8.686 1.00 0.00 C ATOM 747 O GLN A 51 -3.556 -4.112 -9.126 1.00 0.00 O ATOM 748 CB GLN A 51 -6.757 -4.901 -8.884 1.00 0.00 C ATOM 749 CG GLN A 51 -7.968 -5.684 -9.415 1.00 0.00 C ATOM 750 CD GLN A 51 -9.234 -4.835 -9.285 1.00 0.00 C ATOM 751 OE1 GLN A 51 -9.357 -4.036 -8.380 1.00 0.00 O ATOM 752 NE2 GLN A 51 -10.185 -4.971 -10.167 1.00 0.00 N ATOM 0 H GLN A 51 -6.349 -7.363 -8.934 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.390 -5.186 -10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.730 -4.947 -7.795 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.842 -3.849 -9.157 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.807 -5.956 -10.458 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.084 -6.614 -8.858 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.083 -5.642 -10.928 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -11.031 -4.406 -10.096 1.00 0.00 H new ATOM 761 N LEU A 52 -4.027 -5.547 -7.539 1.00 0.00 N ATOM 762 CA LEU A 52 -2.852 -5.103 -6.758 1.00 0.00 C ATOM 763 C LEU A 52 -1.612 -5.380 -7.593 1.00 0.00 C ATOM 764 O LEU A 52 -0.586 -4.746 -7.452 1.00 0.00 O ATOM 765 CB LEU A 52 -2.781 -5.876 -5.448 1.00 0.00 C ATOM 766 CG LEU A 52 -3.989 -5.526 -4.568 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.856 -6.274 -3.255 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.039 -4.015 -4.283 1.00 0.00 C ATOM 0 H LEU A 52 -4.585 -6.287 -7.113 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.925 -4.041 -6.525 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.764 -6.947 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.856 -5.635 -4.924 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.904 -5.810 -5.087 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.706 -6.039 -2.614 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.833 -7.347 -3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.933 -5.975 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.903 -3.791 -3.658 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.129 -3.712 -3.766 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.120 -3.470 -5.223 1.00 0.00 H new ATOM 780 N GLU A 53 -1.722 -6.327 -8.476 1.00 0.00 N ATOM 781 CA GLU A 53 -0.585 -6.679 -9.361 1.00 0.00 C ATOM 782 C GLU A 53 -0.503 -5.624 -10.469 1.00 0.00 C ATOM 783 O GLU A 53 0.429 -5.585 -11.247 1.00 0.00 O ATOM 784 CB GLU A 53 -0.839 -8.094 -9.940 1.00 0.00 C ATOM 785 CG GLU A 53 0.420 -8.970 -9.846 1.00 0.00 C ATOM 786 CD GLU A 53 1.454 -8.497 -10.868 1.00 0.00 C ATOM 787 OE1 GLU A 53 2.254 -7.643 -10.520 1.00 0.00 O ATOM 788 OE2 GLU A 53 1.429 -8.995 -11.982 1.00 0.00 O ATOM 0 H GLU A 53 -2.566 -6.881 -8.624 1.00 0.00 H new ATOM 0 HA GLU A 53 0.362 -6.693 -8.821 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.657 -8.569 -9.398 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.151 -8.013 -10.981 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.838 -8.917 -8.841 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.163 -10.013 -10.030 1.00 0.00 H new ATOM 795 N ASN A 54 -1.490 -4.776 -10.537 1.00 0.00 N ATOM 796 CA ASN A 54 -1.512 -3.716 -11.579 1.00 0.00 C ATOM 797 C ASN A 54 -0.602 -2.555 -11.160 1.00 0.00 C ATOM 798 O ASN A 54 -0.093 -1.826 -11.988 1.00 0.00 O ATOM 799 CB ASN A 54 -2.960 -3.214 -11.737 1.00 0.00 C ATOM 800 CG ASN A 54 -3.178 -2.653 -13.144 1.00 0.00 C ATOM 801 OD1 ASN A 54 -2.245 -2.226 -13.795 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.384 -2.640 -13.641 1.00 0.00 N ATOM 0 H ASN A 54 -2.292 -4.773 -9.906 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.152 -4.118 -12.526 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.657 -4.031 -11.552 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.168 -2.443 -10.995 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.545 -2.271 -14.578 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.166 -2.999 -13.093 1.00 0.00 H new ATOM 809 N TYR A 55 -0.407 -2.369 -9.879 1.00 0.00 N ATOM 810 CA TYR A 55 0.456 -1.243 -9.401 1.00 0.00 C ATOM 811 C TYR A 55 1.859 -1.754 -9.067 1.00 0.00 C ATOM 812 O TYR A 55 2.694 -1.015 -8.586 1.00 0.00 O ATOM 813 CB TYR A 55 -0.178 -0.633 -8.151 1.00 0.00 C ATOM 814 CG TYR A 55 -1.647 -0.432 -8.399 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.535 -1.472 -8.140 1.00 0.00 C ATOM 816 CD2 TYR A 55 -2.115 0.783 -8.896 1.00 0.00 C ATOM 817 CE1 TYR A 55 -3.908 -1.303 -8.376 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.483 0.959 -9.137 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.381 -0.084 -8.876 1.00 0.00 C ATOM 820 OH TYR A 55 -5.729 0.088 -9.113 1.00 0.00 O ATOM 0 H TYR A 55 -0.808 -2.948 -9.142 1.00 0.00 H new ATOM 0 HA TYR A 55 0.537 -0.491 -10.186 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.027 -1.289 -7.293 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.298 0.318 -7.913 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.166 -2.412 -7.756 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.423 1.588 -9.095 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.597 -2.110 -8.173 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.846 1.899 -9.524 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.241 -0.534 -8.555 1.00 0.00 H new ATOM 830 N CYS A 56 2.135 -3.007 -9.318 1.00 0.00 N ATOM 831 CA CYS A 56 3.494 -3.535 -9.008 1.00 0.00 C ATOM 832 C CYS A 56 4.457 -3.160 -10.136 1.00 0.00 C ATOM 833 O CYS A 56 4.358 -3.656 -11.241 1.00 0.00 O ATOM 834 CB CYS A 56 3.439 -5.055 -8.875 1.00 0.00 C ATOM 835 SG CYS A 56 2.360 -5.507 -7.494 1.00 0.00 S ATOM 0 H CYS A 56 1.484 -3.681 -9.721 1.00 0.00 H new ATOM 0 HA CYS A 56 3.842 -3.102 -8.070 1.00 0.00 H new ATOM 0 HB2 CYS A 56 3.068 -5.497 -9.799 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.441 -5.452 -8.712 1.00 0.00 H new ATOM 840 N ASN A 57 5.390 -2.288 -9.865 1.00 0.00 N ATOM 841 CA ASN A 57 6.361 -1.879 -10.919 1.00 0.00 C ATOM 842 C ASN A 57 5.608 -1.529 -12.204 1.00 0.00 C ATOM 843 O ASN A 57 5.450 -2.409 -13.033 1.00 0.00 O ATOM 844 CB ASN A 57 7.330 -3.031 -11.192 1.00 0.00 C ATOM 845 CG ASN A 57 8.350 -2.602 -12.249 1.00 0.00 C ATOM 846 OD1 ASN A 57 7.986 -2.253 -13.355 1.00 0.00 O ATOM 847 ND2 ASN A 57 9.621 -2.612 -11.953 1.00 0.00 N ATOM 848 OXT ASN A 57 5.202 -0.386 -12.335 1.00 0.00 O ATOM 0 H ASN A 57 5.522 -1.841 -8.958 1.00 0.00 H new ATOM 0 HA ASN A 57 6.919 -1.006 -10.579 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.841 -3.315 -10.272 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.781 -3.908 -11.536 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.309 -2.327 -12.650 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.926 -2.905 -11.025 1.00 0.00 H new TER 855 ASN A 57