USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 373 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 PHE N :NH3+ -157:sc= -7.31! (180deg=-0.298) USER MOD Set 1.2: A 4 GLN : amide:sc= -6.48! C(o=-14!,f=-4.9!) USER MOD Single : A 3 ASN : amide:sc= -1.09 K(o=-1.1,f=-4.1!) USER MOD Single : A 5 HIS : no HD1:sc= -0.565 X(o=-0.57,f=-0.42) 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 180:sc= -0.261 USER MOD Single : A 41 GLN : amide:sc= -0.202 K(o=-0.2,f=-0.92) USER MOD Single : A 44 HIS : no HD1:sc= -0.0165 X(o=-0.016,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.618 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0549 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -1.09 K(o=-1.1,f=-2.4) USER MOD Single : A 54 ASN : amide:sc= -0.0533 X(o=-0.053,f=-0.31!) USER MOD Single : A 55 TYR OH : rot 101:sc= 0.389 USER MOD Single : A 57 ASN : amide:sc= -1.07 K(o=-1.1,f=-0.16!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.881 -12.438 2.626 1.00 0.00 N ATOM 2 CA PHE A 1 -5.638 -11.597 1.421 1.00 0.00 C ATOM 3 C PHE A 1 -6.534 -12.099 0.286 1.00 0.00 C ATOM 4 O PHE A 1 -6.171 -12.049 -0.873 1.00 0.00 O ATOM 5 CB PHE A 1 -4.164 -11.736 1.017 1.00 0.00 C ATOM 6 CG PHE A 1 -3.687 -10.640 0.089 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.562 -9.732 -0.522 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.317 -10.547 -0.156 1.00 0.00 C ATOM 9 CE1 PHE A 1 -4.055 -8.751 -1.365 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.815 -9.563 -0.997 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.680 -8.663 -1.603 1.00 0.00 C ATOM 0 H1 PHE A 1 -5.607 -11.910 3.479 1.00 0.00 H new ATOM 0 H2 PHE A 1 -6.890 -12.684 2.680 1.00 0.00 H new ATOM 0 H3 PHE A 1 -5.316 -13.308 2.562 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.863 -10.551 1.629 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.547 -11.734 1.916 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -4.018 -12.701 0.532 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.624 -9.794 -0.339 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.641 -11.247 0.313 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.727 -8.052 -1.840 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.752 -9.498 -1.179 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.292 -7.896 -2.257 1.00 0.00 H new ATOM 23 N VAL A 2 -7.691 -12.608 0.618 1.00 0.00 N ATOM 24 CA VAL A 2 -8.616 -13.153 -0.424 1.00 0.00 C ATOM 25 C VAL A 2 -9.788 -12.189 -0.667 1.00 0.00 C ATOM 26 O VAL A 2 -9.711 -11.298 -1.489 1.00 0.00 O ATOM 27 CB VAL A 2 -9.153 -14.501 0.087 1.00 0.00 C ATOM 28 CG1 VAL A 2 -8.155 -15.616 -0.246 1.00 0.00 C ATOM 29 CG2 VAL A 2 -9.343 -14.432 1.613 1.00 0.00 C ATOM 0 H VAL A 2 -8.039 -12.671 1.575 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.082 -13.278 -1.366 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.108 -14.712 -0.394 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.539 -16.569 0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.016 -15.669 -1.326 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.199 -15.404 0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.724 -15.387 1.976 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.386 -14.218 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.054 -13.642 1.856 1.00 0.00 H new ATOM 39 N ASN A 3 -10.875 -12.372 0.037 1.00 0.00 N ATOM 40 CA ASN A 3 -12.068 -11.486 -0.147 1.00 0.00 C ATOM 41 C ASN A 3 -12.091 -10.419 0.944 1.00 0.00 C ATOM 42 O ASN A 3 -13.131 -9.897 1.295 1.00 0.00 O ATOM 43 CB ASN A 3 -13.347 -12.325 -0.066 1.00 0.00 C ATOM 44 CG ASN A 3 -13.204 -13.566 -0.946 1.00 0.00 C ATOM 45 OD1 ASN A 3 -12.405 -14.436 -0.667 1.00 0.00 O ATOM 46 ND2 ASN A 3 -13.955 -13.686 -2.003 1.00 0.00 N ATOM 0 H ASN A 3 -10.990 -13.104 0.738 1.00 0.00 H new ATOM 0 HA ASN A 3 -12.010 -11.004 -1.123 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.536 -12.619 0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -14.203 -11.733 -0.391 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.872 -14.511 -2.597 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.626 -12.955 -2.237 1.00 0.00 H new ATOM 53 N GLN A 4 -10.954 -10.094 1.487 1.00 0.00 N ATOM 54 CA GLN A 4 -10.893 -9.062 2.564 1.00 0.00 C ATOM 55 C GLN A 4 -10.542 -7.703 1.951 1.00 0.00 C ATOM 56 O GLN A 4 -10.035 -7.615 0.850 1.00 0.00 O ATOM 57 CB GLN A 4 -9.832 -9.469 3.603 1.00 0.00 C ATOM 58 CG GLN A 4 -8.721 -10.285 2.931 1.00 0.00 C ATOM 59 CD GLN A 4 -7.657 -10.650 3.965 1.00 0.00 C ATOM 60 OE1 GLN A 4 -6.923 -9.801 4.430 1.00 0.00 O ATOM 61 NE2 GLN A 4 -7.545 -11.893 4.345 1.00 0.00 N ATOM 0 H GLN A 4 -10.054 -10.501 1.231 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.862 -8.987 3.058 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.409 -8.579 4.070 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.295 -10.055 4.397 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.137 -11.190 2.488 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.273 -9.710 2.121 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -8.163 -12.604 3.953 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.840 -12.154 5.034 1.00 0.00 H new ATOM 70 N HIS A 5 -10.827 -6.644 2.660 1.00 0.00 N ATOM 71 CA HIS A 5 -10.538 -5.274 2.139 1.00 0.00 C ATOM 72 C HIS A 5 -9.192 -4.777 2.681 1.00 0.00 C ATOM 73 O HIS A 5 -8.864 -4.964 3.836 1.00 0.00 O ATOM 74 CB HIS A 5 -11.657 -4.328 2.592 1.00 0.00 C ATOM 75 CG HIS A 5 -12.076 -4.682 3.992 1.00 0.00 C ATOM 76 ND1 HIS A 5 -13.281 -5.316 4.267 1.00 0.00 N ATOM 77 CD2 HIS A 5 -11.462 -4.500 5.208 1.00 0.00 C ATOM 78 CE1 HIS A 5 -13.354 -5.491 5.600 1.00 0.00 C ATOM 79 NE2 HIS A 5 -12.272 -5.012 6.214 1.00 0.00 N ATOM 0 H HIS A 5 -11.252 -6.669 3.587 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.488 -5.300 1.050 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.312 -3.295 2.554 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.508 -4.404 1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -10.500 -4.032 5.358 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.184 -5.960 6.108 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -12.079 -5.020 7.215 1.00 0.00 H new ATOM 87 N LEU A 6 -8.416 -4.141 1.844 1.00 0.00 N ATOM 88 CA LEU A 6 -7.085 -3.614 2.276 1.00 0.00 C ATOM 89 C LEU A 6 -7.208 -2.109 2.538 1.00 0.00 C ATOM 90 O LEU A 6 -7.763 -1.376 1.746 1.00 0.00 O ATOM 91 CB LEU A 6 -6.063 -3.841 1.145 1.00 0.00 C ATOM 92 CG LEU A 6 -5.338 -5.209 1.261 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.227 -6.301 1.877 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.911 -5.661 -0.139 1.00 0.00 C ATOM 0 H LEU A 6 -8.649 -3.961 0.867 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.759 -4.126 3.181 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.573 -3.785 0.183 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.324 -3.040 1.162 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.480 -5.070 1.919 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.669 -7.236 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.532 -5.999 2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.111 -6.444 1.256 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.400 -6.621 -0.071 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.792 -5.762 -0.773 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.237 -4.921 -0.570 1.00 0.00 H new ATOM 106 N CYS A 7 -6.674 -1.641 3.631 1.00 0.00 N ATOM 107 CA CYS A 7 -6.742 -0.183 3.932 1.00 0.00 C ATOM 108 C CYS A 7 -5.505 0.223 4.741 1.00 0.00 C ATOM 109 O CYS A 7 -5.219 -0.333 5.781 1.00 0.00 O ATOM 110 CB CYS A 7 -8.025 0.106 4.726 1.00 0.00 C ATOM 111 SG CYS A 7 -8.671 1.737 4.266 1.00 0.00 S ATOM 0 H CYS A 7 -6.192 -2.206 4.331 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.761 0.394 3.007 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.771 -0.662 4.523 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.818 0.074 5.796 1.00 0.00 H new ATOM 116 N GLY A 8 -4.775 1.194 4.270 1.00 0.00 N ATOM 117 CA GLY A 8 -3.558 1.639 5.009 1.00 0.00 C ATOM 118 C GLY A 8 -2.456 0.579 4.889 1.00 0.00 C ATOM 119 O GLY A 8 -2.350 -0.114 3.896 1.00 0.00 O ATOM 0 H GLY A 8 -4.967 1.700 3.405 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.206 2.589 4.608 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.800 1.807 6.058 1.00 0.00 H new ATOM 123 N SER A 9 -1.630 0.456 5.895 1.00 0.00 N ATOM 124 CA SER A 9 -0.522 -0.547 5.852 1.00 0.00 C ATOM 125 C SER A 9 -1.043 -1.889 5.331 1.00 0.00 C ATOM 126 O SER A 9 -0.330 -2.626 4.679 1.00 0.00 O ATOM 127 CB SER A 9 0.042 -0.736 7.260 1.00 0.00 C ATOM 128 OG SER A 9 0.684 0.463 7.673 1.00 0.00 O ATOM 0 H SER A 9 -1.675 1.010 6.750 1.00 0.00 H new ATOM 0 HA SER A 9 0.259 -0.186 5.183 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.759 -0.991 7.954 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.750 -1.564 7.272 1.00 0.00 H new ATOM 0 HG SER A 9 1.045 0.346 8.576 1.00 0.00 H new ATOM 134 N ASP A 10 -2.278 -2.218 5.605 1.00 0.00 N ATOM 135 CA ASP A 10 -2.827 -3.514 5.114 1.00 0.00 C ATOM 136 C ASP A 10 -2.503 -3.653 3.624 1.00 0.00 C ATOM 137 O ASP A 10 -1.985 -4.657 3.178 1.00 0.00 O ATOM 138 CB ASP A 10 -4.350 -3.528 5.325 1.00 0.00 C ATOM 139 CG ASP A 10 -4.677 -4.000 6.746 1.00 0.00 C ATOM 140 OD1 ASP A 10 -4.279 -5.101 7.090 1.00 0.00 O ATOM 141 OD2 ASP A 10 -5.319 -3.252 7.465 1.00 0.00 O ATOM 0 H ASP A 10 -2.928 -1.647 6.146 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.383 -4.346 5.661 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.757 -2.530 5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.821 -4.188 4.596 1.00 0.00 H new ATOM 146 N LEU A 11 -2.806 -2.645 2.856 1.00 0.00 N ATOM 147 CA LEU A 11 -2.519 -2.705 1.398 1.00 0.00 C ATOM 148 C LEU A 11 -1.025 -2.968 1.179 1.00 0.00 C ATOM 149 O LEU A 11 -0.642 -3.892 0.489 1.00 0.00 O ATOM 150 CB LEU A 11 -2.904 -1.365 0.745 1.00 0.00 C ATOM 151 CG LEU A 11 -2.437 -1.328 -0.717 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.912 -2.572 -1.452 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.019 -0.097 -1.418 1.00 0.00 C ATOM 0 H LEU A 11 -3.241 -1.780 3.177 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.099 -3.511 0.947 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.984 -1.228 0.792 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.454 -0.541 1.298 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.348 -1.286 -0.729 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.574 -2.534 -2.488 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.502 -3.459 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.001 -2.616 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.684 -0.076 -2.455 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.108 -0.143 -1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.680 0.806 -0.909 1.00 0.00 H new ATOM 165 N VAL A 12 -0.181 -2.153 1.750 1.00 0.00 N ATOM 166 CA VAL A 12 1.288 -2.342 1.564 1.00 0.00 C ATOM 167 C VAL A 12 1.658 -3.812 1.768 1.00 0.00 C ATOM 168 O VAL A 12 2.080 -4.487 0.851 1.00 0.00 O ATOM 169 CB VAL A 12 2.046 -1.490 2.585 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.541 -1.484 2.244 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.513 -0.056 2.551 1.00 0.00 C ATOM 0 H VAL A 12 -0.445 -1.363 2.339 1.00 0.00 H new ATOM 0 HA VAL A 12 1.558 -2.038 0.553 1.00 0.00 H new ATOM 0 HB VAL A 12 1.902 -1.910 3.581 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.078 -0.877 2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.924 -2.504 2.269 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.685 -1.067 1.247 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.053 0.550 3.278 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.655 0.361 1.554 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.451 -0.057 2.796 1.00 0.00 H new ATOM 181 N GLU A 13 1.513 -4.313 2.964 1.00 0.00 N ATOM 182 CA GLU A 13 1.867 -5.737 3.222 1.00 0.00 C ATOM 183 C GLU A 13 1.247 -6.617 2.140 1.00 0.00 C ATOM 184 O GLU A 13 1.755 -7.671 1.821 1.00 0.00 O ATOM 185 CB GLU A 13 1.330 -6.159 4.589 1.00 0.00 C ATOM 186 CG GLU A 13 1.973 -5.299 5.678 1.00 0.00 C ATOM 187 CD GLU A 13 1.548 -5.814 7.054 1.00 0.00 C ATOM 188 OE1 GLU A 13 0.371 -6.090 7.223 1.00 0.00 O ATOM 189 OE2 GLU A 13 2.405 -5.923 7.915 1.00 0.00 O ATOM 0 H GLU A 13 1.165 -3.798 3.773 1.00 0.00 H new ATOM 0 HA GLU A 13 2.951 -5.849 3.208 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.246 -6.048 4.616 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.547 -7.212 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 13 3.059 -5.329 5.586 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.672 -4.258 5.559 1.00 0.00 H new ATOM 196 N ALA A 14 0.154 -6.192 1.571 1.00 0.00 N ATOM 197 CA ALA A 14 -0.493 -7.006 0.507 1.00 0.00 C ATOM 198 C ALA A 14 0.251 -6.787 -0.816 1.00 0.00 C ATOM 199 O ALA A 14 0.697 -7.727 -1.440 1.00 0.00 O ATOM 200 CB ALA A 14 -1.978 -6.608 0.394 1.00 0.00 C ATOM 0 H ALA A 14 -0.318 -5.317 1.797 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.445 -8.067 0.754 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.456 -7.202 -0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.477 -6.789 1.346 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.053 -5.550 0.141 1.00 0.00 H new ATOM 206 N LEU A 15 0.409 -5.566 -1.256 1.00 0.00 N ATOM 207 CA LEU A 15 1.143 -5.360 -2.536 1.00 0.00 C ATOM 208 C LEU A 15 2.481 -6.103 -2.458 1.00 0.00 C ATOM 209 O LEU A 15 2.970 -6.629 -3.437 1.00 0.00 O ATOM 210 CB LEU A 15 1.421 -3.870 -2.780 1.00 0.00 C ATOM 211 CG LEU A 15 0.147 -3.144 -3.271 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.243 -1.643 -2.960 1.00 0.00 C ATOM 213 CD2 LEU A 15 -0.002 -3.304 -4.789 1.00 0.00 C ATOM 0 H LEU A 15 0.070 -4.721 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 15 0.531 -5.739 -3.355 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.776 -3.407 -1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.215 -3.760 -3.519 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.711 -3.582 -2.761 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.659 -1.141 -3.310 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.344 -1.500 -1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.112 -1.222 -3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.903 -2.789 -5.123 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.867 -2.875 -5.287 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.077 -4.363 -5.038 1.00 0.00 H new ATOM 225 N TYR A 16 3.081 -6.138 -1.297 1.00 0.00 N ATOM 226 CA TYR A 16 4.389 -6.835 -1.157 1.00 0.00 C ATOM 227 C TYR A 16 4.316 -8.237 -1.776 1.00 0.00 C ATOM 228 O TYR A 16 5.159 -8.607 -2.566 1.00 0.00 O ATOM 229 CB TYR A 16 4.766 -6.918 0.322 1.00 0.00 C ATOM 230 CG TYR A 16 6.057 -7.690 0.470 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.240 -7.196 -0.096 1.00 0.00 C ATOM 232 CD2 TYR A 16 6.073 -8.898 1.172 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.435 -7.912 0.041 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.267 -9.616 1.310 1.00 0.00 C ATOM 235 CZ TYR A 16 8.448 -9.122 0.744 1.00 0.00 C ATOM 236 OH TYR A 16 9.626 -9.829 0.880 1.00 0.00 O ATOM 0 H TYR A 16 2.721 -5.714 -0.442 1.00 0.00 H new ATOM 0 HA TYR A 16 5.156 -6.271 -1.688 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.879 -5.916 0.736 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.971 -7.407 0.884 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.230 -6.262 -0.638 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.162 -9.279 1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.346 -7.531 -0.396 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.277 -10.550 1.852 1.00 0.00 H new ATOM 0 HH TYR A 16 9.460 -10.645 1.397 1.00 0.00 H new ATOM 246 N LEU A 17 3.321 -9.022 -1.449 1.00 0.00 N ATOM 247 CA LEU A 17 3.240 -10.383 -2.062 1.00 0.00 C ATOM 248 C LEU A 17 2.934 -10.230 -3.547 1.00 0.00 C ATOM 249 O LEU A 17 3.592 -10.797 -4.397 1.00 0.00 O ATOM 250 CB LEU A 17 2.108 -11.204 -1.439 1.00 0.00 C ATOM 251 CG LEU A 17 2.311 -11.376 0.073 1.00 0.00 C ATOM 252 CD1 LEU A 17 2.048 -10.048 0.806 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.344 -12.459 0.584 1.00 0.00 C ATOM 0 H LEU A 17 2.574 -8.786 -0.796 1.00 0.00 H new ATOM 0 HA LEU A 17 4.189 -10.891 -1.893 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.153 -10.712 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.061 -12.183 -1.916 1.00 0.00 H new ATOM 0 HG LEU A 17 3.341 -11.676 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.196 -10.188 1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.738 -9.288 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.023 -9.727 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.479 -12.590 1.658 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.317 -12.154 0.382 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.550 -13.400 0.075 1.00 0.00 H new ATOM 265 N VAL A 18 1.923 -9.468 -3.858 1.00 0.00 N ATOM 266 CA VAL A 18 1.540 -9.267 -5.281 1.00 0.00 C ATOM 267 C VAL A 18 2.772 -8.868 -6.092 1.00 0.00 C ATOM 268 O VAL A 18 3.140 -9.519 -7.050 1.00 0.00 O ATOM 269 CB VAL A 18 0.499 -8.145 -5.360 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.004 -7.984 -6.787 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.694 -8.471 -4.464 1.00 0.00 C ATOM 0 H VAL A 18 1.342 -8.973 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 18 1.126 -10.191 -5.684 1.00 0.00 H new ATOM 0 HB VAL A 18 0.970 -7.220 -5.028 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.735 -7.184 -6.828 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.843 -7.737 -7.437 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.452 -8.916 -7.121 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.427 -7.667 -4.528 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.150 -9.405 -4.791 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.357 -8.574 -3.432 1.00 0.00 H new ATOM 281 N CYS A 19 3.397 -7.791 -5.723 1.00 0.00 N ATOM 282 CA CYS A 19 4.592 -7.323 -6.474 1.00 0.00 C ATOM 283 C CYS A 19 5.798 -8.192 -6.119 1.00 0.00 C ATOM 284 O CYS A 19 6.742 -8.306 -6.873 1.00 0.00 O ATOM 285 CB CYS A 19 4.871 -5.872 -6.089 1.00 0.00 C ATOM 286 SG CYS A 19 3.303 -4.977 -5.943 1.00 0.00 S ATOM 0 H CYS A 19 3.131 -7.210 -4.928 1.00 0.00 H new ATOM 0 HA CYS A 19 4.410 -7.396 -7.546 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.414 -5.833 -5.145 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.503 -5.400 -6.841 1.00 0.00 H new ATOM 291 N GLY A 20 5.766 -8.809 -4.978 1.00 0.00 N ATOM 292 CA GLY A 20 6.903 -9.677 -4.570 1.00 0.00 C ATOM 293 C GLY A 20 8.217 -8.900 -4.669 1.00 0.00 C ATOM 294 O GLY A 20 8.337 -7.795 -4.178 1.00 0.00 O ATOM 0 H GLY A 20 5.001 -8.751 -4.306 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.755 -10.028 -3.549 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.944 -10.560 -5.208 1.00 0.00 H new ATOM 298 N GLU A 21 9.207 -9.476 -5.295 1.00 0.00 N ATOM 299 CA GLU A 21 10.521 -8.784 -5.421 1.00 0.00 C ATOM 300 C GLU A 21 10.438 -7.686 -6.478 1.00 0.00 C ATOM 301 O GLU A 21 11.328 -6.869 -6.607 1.00 0.00 O ATOM 302 CB GLU A 21 11.584 -9.796 -5.841 1.00 0.00 C ATOM 303 CG GLU A 21 11.828 -10.777 -4.696 1.00 0.00 C ATOM 304 CD GLU A 21 12.981 -11.714 -5.062 1.00 0.00 C ATOM 305 OE1 GLU A 21 14.117 -11.272 -5.013 1.00 0.00 O ATOM 306 OE2 GLU A 21 12.708 -12.859 -5.384 1.00 0.00 O ATOM 0 H GLU A 21 9.162 -10.399 -5.726 1.00 0.00 H new ATOM 0 HA GLU A 21 10.782 -8.340 -4.460 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.259 -10.333 -6.732 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.510 -9.282 -6.098 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.064 -10.233 -3.781 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.925 -11.355 -4.499 1.00 0.00 H new ATOM 313 N ARG A 22 9.387 -7.661 -7.244 1.00 0.00 N ATOM 314 CA ARG A 22 9.271 -6.616 -8.295 1.00 0.00 C ATOM 315 C ARG A 22 9.339 -5.234 -7.649 1.00 0.00 C ATOM 316 O ARG A 22 9.746 -4.270 -8.265 1.00 0.00 O ATOM 317 CB ARG A 22 7.934 -6.759 -9.027 1.00 0.00 C ATOM 318 CG ARG A 22 7.768 -8.198 -9.550 1.00 0.00 C ATOM 319 CD ARG A 22 6.294 -8.467 -9.950 1.00 0.00 C ATOM 320 NE ARG A 22 6.226 -9.063 -11.329 1.00 0.00 N ATOM 321 CZ ARG A 22 6.781 -8.480 -12.360 1.00 0.00 C ATOM 322 NH1 ARG A 22 7.329 -7.303 -12.235 1.00 0.00 N ATOM 323 NH2 ARG A 22 6.761 -9.066 -13.526 1.00 0.00 N ATOM 0 H ARG A 22 8.606 -8.315 -7.189 1.00 0.00 H new ATOM 0 HA ARG A 22 10.089 -6.734 -9.005 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.114 -6.512 -8.353 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.888 -6.054 -9.857 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.418 -8.355 -10.410 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.077 -8.908 -8.783 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.833 -9.144 -9.231 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.727 -7.537 -9.921 1.00 0.00 H new ATOM 0 HE ARG A 22 5.734 -9.946 -11.464 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.326 -6.833 -11.330 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.760 -6.853 -13.042 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.313 -9.976 -13.632 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.193 -8.614 -14.332 1.00 0.00 H new ATOM 337 N GLY A 23 8.931 -5.124 -6.414 1.00 0.00 N ATOM 338 CA GLY A 23 8.961 -3.796 -5.744 1.00 0.00 C ATOM 339 C GLY A 23 7.801 -2.960 -6.277 1.00 0.00 C ATOM 340 O GLY A 23 7.316 -3.188 -7.367 1.00 0.00 O ATOM 0 H GLY A 23 8.580 -5.893 -5.844 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.878 -3.915 -4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.910 -3.295 -5.938 1.00 0.00 H new ATOM 344 N PHE A 24 7.337 -2.002 -5.524 1.00 0.00 N ATOM 345 CA PHE A 24 6.199 -1.176 -6.006 1.00 0.00 C ATOM 346 C PHE A 24 6.194 0.176 -5.305 1.00 0.00 C ATOM 347 O PHE A 24 6.948 0.421 -4.384 1.00 0.00 O ATOM 348 CB PHE A 24 4.892 -1.906 -5.710 1.00 0.00 C ATOM 349 CG PHE A 24 4.672 -1.976 -4.215 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.179 -3.058 -3.487 1.00 0.00 C ATOM 351 CD2 PHE A 24 3.957 -0.964 -3.558 1.00 0.00 C ATOM 352 CE1 PHE A 24 4.970 -3.131 -2.105 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.750 -1.040 -2.175 1.00 0.00 C ATOM 354 CZ PHE A 24 4.255 -2.124 -1.451 1.00 0.00 C ATOM 0 H PHE A 24 7.695 -1.757 -4.601 1.00 0.00 H new ATOM 0 HA PHE A 24 6.302 -1.016 -7.079 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.059 -1.388 -6.186 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.923 -2.911 -6.130 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.732 -3.837 -3.991 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.567 -0.127 -4.118 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.362 -3.966 -1.544 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.200 -0.261 -1.668 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.092 -2.183 -0.385 1.00 0.00 H new ATOM 364 N PHE A 25 5.333 1.049 -5.745 1.00 0.00 N ATOM 365 CA PHE A 25 5.226 2.408 -5.137 1.00 0.00 C ATOM 366 C PHE A 25 3.852 2.566 -4.493 1.00 0.00 C ATOM 367 O PHE A 25 2.844 2.188 -5.057 1.00 0.00 O ATOM 368 CB PHE A 25 5.380 3.464 -6.237 1.00 0.00 C ATOM 369 CG PHE A 25 4.376 3.194 -7.338 1.00 0.00 C ATOM 370 CD1 PHE A 25 3.050 3.634 -7.208 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.771 2.497 -8.486 1.00 0.00 C ATOM 372 CE1 PHE A 25 2.121 3.376 -8.227 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.844 2.240 -9.504 1.00 0.00 C ATOM 374 CZ PHE A 25 2.520 2.679 -9.375 1.00 0.00 C ATOM 0 H PHE A 25 4.686 0.877 -6.515 1.00 0.00 H new ATOM 0 HA PHE A 25 6.005 2.534 -4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.224 4.461 -5.824 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.393 3.441 -6.640 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.744 4.172 -6.323 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.791 2.157 -8.587 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.100 3.714 -8.127 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.150 1.703 -10.389 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.806 2.480 -10.161 1.00 0.00 H new ATOM 384 N TYR A 26 3.793 3.138 -3.325 1.00 0.00 N ATOM 385 CA TYR A 26 2.473 3.336 -2.675 1.00 0.00 C ATOM 386 C TYR A 26 1.799 4.526 -3.354 1.00 0.00 C ATOM 387 O TYR A 26 2.403 5.210 -4.155 1.00 0.00 O ATOM 388 CB TYR A 26 2.649 3.609 -1.173 1.00 0.00 C ATOM 389 CG TYR A 26 1.359 3.281 -0.448 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.920 1.954 -0.379 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.601 4.299 0.148 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.274 1.647 0.287 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.591 3.988 0.813 1.00 0.00 C ATOM 394 CZ TYR A 26 -1.028 2.663 0.882 1.00 0.00 C ATOM 395 OH TYR A 26 -2.203 2.356 1.537 1.00 0.00 O ATOM 0 H TYR A 26 4.597 3.475 -2.796 1.00 0.00 H new ATOM 0 HA TYR A 26 1.861 2.440 -2.778 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.466 3.006 -0.776 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.915 4.653 -1.011 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.501 1.168 -0.838 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.937 5.324 0.094 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.613 0.623 0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.173 4.773 1.273 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.602 3.177 1.894 1.00 0.00 H new ATOM 405 N THR A 27 0.558 4.777 -3.068 1.00 0.00 N ATOM 406 CA THR A 27 -0.120 5.918 -3.734 1.00 0.00 C ATOM 407 C THR A 27 0.554 7.234 -3.329 1.00 0.00 C ATOM 408 O THR A 27 1.464 7.255 -2.524 1.00 0.00 O ATOM 409 CB THR A 27 -1.594 5.940 -3.347 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.215 7.032 -3.993 1.00 0.00 O ATOM 411 CG2 THR A 27 -1.741 6.078 -1.831 1.00 0.00 C ATOM 0 H THR A 27 -0.013 4.248 -2.409 1.00 0.00 H new ATOM 0 HA THR A 27 -0.041 5.801 -4.815 1.00 0.00 H new ATOM 0 HB THR A 27 -2.068 5.008 -3.655 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.165 7.057 -3.754 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.799 6.092 -1.568 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.256 5.234 -1.340 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.273 7.006 -1.503 1.00 0.00 H new ATOM 419 N ASP A 28 0.133 8.326 -3.913 1.00 0.00 N ATOM 420 CA ASP A 28 0.764 9.646 -3.604 1.00 0.00 C ATOM 421 C ASP A 28 0.998 9.785 -2.072 1.00 0.00 C ATOM 422 O ASP A 28 0.225 9.257 -1.297 1.00 0.00 O ATOM 423 CB ASP A 28 -0.169 10.776 -4.110 1.00 0.00 C ATOM 424 CG ASP A 28 0.583 11.712 -5.069 1.00 0.00 C ATOM 425 OD1 ASP A 28 1.308 11.208 -5.910 1.00 0.00 O ATOM 426 OD2 ASP A 28 0.419 12.915 -4.942 1.00 0.00 O ATOM 0 H ASP A 28 -0.625 8.361 -4.595 1.00 0.00 H new ATOM 0 HA ASP A 28 1.730 9.717 -4.104 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.031 10.343 -4.618 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.551 11.346 -3.263 1.00 0.00 H new ATOM 431 N PRO A 29 2.046 10.498 -1.670 1.00 0.00 N ATOM 432 CA PRO A 29 2.354 10.707 -0.234 1.00 0.00 C ATOM 433 C PRO A 29 1.438 11.793 0.359 1.00 0.00 C ATOM 434 O PRO A 29 1.478 12.071 1.541 1.00 0.00 O ATOM 435 CB PRO A 29 3.809 11.211 -0.238 1.00 0.00 C ATOM 436 CG PRO A 29 4.067 11.784 -1.652 1.00 0.00 C ATOM 437 CD PRO A 29 3.022 11.143 -2.585 1.00 0.00 C ATOM 0 HA PRO A 29 2.210 9.804 0.359 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.958 11.976 0.524 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.502 10.400 -0.015 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.973 12.870 -1.653 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.078 11.552 -1.986 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.540 11.892 -3.214 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.481 10.414 -3.252 1.00 0.00 H new ATOM 518 N ARG A 36 -6.651 7.735 -5.117 1.00 0.00 N ATOM 519 CA ARG A 36 -7.798 6.976 -4.554 1.00 0.00 C ATOM 520 C ARG A 36 -8.053 5.751 -5.433 1.00 0.00 C ATOM 521 O ARG A 36 -8.921 4.947 -5.165 1.00 0.00 O ATOM 522 CB ARG A 36 -9.040 7.875 -4.532 1.00 0.00 C ATOM 523 CG ARG A 36 -9.043 8.767 -5.778 1.00 0.00 C ATOM 524 CD ARG A 36 -10.455 9.301 -6.030 1.00 0.00 C ATOM 525 NE ARG A 36 -11.381 8.161 -6.276 1.00 0.00 N ATOM 526 CZ ARG A 36 -12.672 8.345 -6.216 1.00 0.00 C ATOM 527 NH1 ARG A 36 -13.150 9.527 -5.940 1.00 0.00 N ATOM 528 NH2 ARG A 36 -13.484 7.346 -6.430 1.00 0.00 N ATOM 0 HA ARG A 36 -7.576 6.655 -3.536 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.943 7.266 -4.505 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.043 8.489 -3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.349 9.597 -5.644 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.699 8.200 -6.643 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.795 9.880 -5.172 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.453 9.973 -6.888 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.007 7.237 -6.491 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.515 10.307 -5.771 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.159 9.671 -5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -13.110 6.422 -6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -14.493 7.490 -6.383 1.00 0.00 H new ATOM 542 N GLY A 37 -7.298 5.607 -6.488 1.00 0.00 N ATOM 543 CA GLY A 37 -7.492 4.443 -7.390 1.00 0.00 C ATOM 544 C GLY A 37 -6.981 3.165 -6.721 1.00 0.00 C ATOM 545 O GLY A 37 -7.402 2.082 -7.064 1.00 0.00 O ATOM 0 H GLY A 37 -6.554 6.249 -6.762 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.549 4.336 -7.636 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.962 4.608 -8.328 1.00 0.00 H new ATOM 549 N ILE A 38 -6.064 3.272 -5.782 1.00 0.00 N ATOM 550 CA ILE A 38 -5.530 2.040 -5.104 1.00 0.00 C ATOM 551 C ILE A 38 -6.176 1.870 -3.715 1.00 0.00 C ATOM 552 O ILE A 38 -6.708 0.826 -3.395 1.00 0.00 O ATOM 553 CB ILE A 38 -3.970 2.132 -5.008 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.304 0.769 -5.326 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.486 2.611 -3.627 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.055 -0.411 -4.681 1.00 0.00 C ATOM 0 H ILE A 38 -5.665 4.153 -5.457 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.785 1.158 -5.692 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.672 2.871 -5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.268 0.628 -6.406 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.273 0.779 -4.971 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.397 2.656 -3.619 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.891 3.602 -3.423 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.827 1.915 -2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.551 -1.344 -4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.068 -0.286 -3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.078 -0.439 -5.055 1.00 0.00 H new ATOM 568 N VAL A 39 -6.086 2.865 -2.874 1.00 0.00 N ATOM 569 CA VAL A 39 -6.642 2.726 -1.497 1.00 0.00 C ATOM 570 C VAL A 39 -8.159 2.529 -1.528 1.00 0.00 C ATOM 571 O VAL A 39 -8.657 1.505 -1.117 1.00 0.00 O ATOM 572 CB VAL A 39 -6.304 3.976 -0.674 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.482 3.663 0.815 1.00 0.00 C ATOM 574 CG2 VAL A 39 -4.850 4.402 -0.941 1.00 0.00 C ATOM 0 H VAL A 39 -5.653 3.765 -3.080 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.192 1.846 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.971 4.789 -0.961 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.243 4.548 1.404 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.514 3.369 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.815 2.848 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.617 5.290 -0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.176 3.593 -0.659 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.725 4.625 -2.001 1.00 0.00 H new ATOM 584 N GLU A 40 -8.900 3.496 -1.988 1.00 0.00 N ATOM 585 CA GLU A 40 -10.384 3.341 -2.006 1.00 0.00 C ATOM 586 C GLU A 40 -10.778 2.069 -2.762 1.00 0.00 C ATOM 587 O GLU A 40 -11.616 1.310 -2.319 1.00 0.00 O ATOM 588 CB GLU A 40 -11.023 4.552 -2.686 1.00 0.00 C ATOM 589 CG GLU A 40 -10.565 5.836 -1.986 1.00 0.00 C ATOM 590 CD GLU A 40 -11.479 6.997 -2.388 1.00 0.00 C ATOM 591 OE1 GLU A 40 -12.645 6.748 -2.647 1.00 0.00 O ATOM 592 OE2 GLU A 40 -10.997 8.117 -2.427 1.00 0.00 O ATOM 0 H GLU A 40 -8.548 4.382 -2.350 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.738 3.269 -0.978 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.743 4.580 -3.739 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.109 4.472 -2.647 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.588 5.700 -0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.534 6.062 -2.257 1.00 0.00 H new ATOM 599 N GLN A 41 -10.194 1.835 -3.903 1.00 0.00 N ATOM 600 CA GLN A 41 -10.554 0.617 -4.685 1.00 0.00 C ATOM 601 C GLN A 41 -10.530 -0.617 -3.785 1.00 0.00 C ATOM 602 O GLN A 41 -11.505 -1.332 -3.670 1.00 0.00 O ATOM 603 CB GLN A 41 -9.556 0.426 -5.832 1.00 0.00 C ATOM 604 CG GLN A 41 -10.083 -0.640 -6.794 1.00 0.00 C ATOM 605 CD GLN A 41 -11.275 -0.089 -7.563 1.00 0.00 C ATOM 606 OE1 GLN A 41 -11.266 1.044 -8.001 1.00 0.00 O ATOM 607 NE2 GLN A 41 -12.311 -0.854 -7.746 1.00 0.00 N ATOM 0 H GLN A 41 -9.485 2.432 -4.328 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.558 0.745 -5.089 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.409 1.368 -6.361 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.585 0.127 -5.437 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.297 -0.939 -7.487 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.376 -1.532 -6.240 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.315 -1.805 -7.377 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -13.120 -0.503 -8.259 1.00 0.00 H new ATOM 616 N CYS A 42 -9.416 -0.890 -3.165 1.00 0.00 N ATOM 617 CA CYS A 42 -9.321 -2.098 -2.296 1.00 0.00 C ATOM 618 C CYS A 42 -9.840 -1.812 -0.878 1.00 0.00 C ATOM 619 O CYS A 42 -10.269 -2.710 -0.181 1.00 0.00 O ATOM 620 CB CYS A 42 -7.863 -2.546 -2.235 1.00 0.00 C ATOM 621 SG CYS A 42 -7.245 -2.801 -3.916 1.00 0.00 S ATOM 0 H CYS A 42 -8.566 -0.329 -3.222 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.942 -2.886 -2.722 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.261 -1.795 -1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.778 -3.468 -1.660 1.00 0.00 H new ATOM 626 N CYS A 43 -9.809 -0.582 -0.433 1.00 0.00 N ATOM 627 CA CYS A 43 -10.311 -0.282 0.947 1.00 0.00 C ATOM 628 C CYS A 43 -11.826 -0.096 0.910 1.00 0.00 C ATOM 629 O CYS A 43 -12.556 -0.715 1.660 1.00 0.00 O ATOM 630 CB CYS A 43 -9.654 0.993 1.492 1.00 0.00 C ATOM 631 SG CYS A 43 -10.305 1.331 3.149 1.00 0.00 S ATOM 0 H CYS A 43 -9.462 0.222 -0.957 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.057 -1.116 1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.571 0.872 1.530 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.857 1.834 0.829 1.00 0.00 H new ATOM 636 N HIS A 44 -12.308 0.753 0.046 1.00 0.00 N ATOM 637 CA HIS A 44 -13.777 0.978 -0.034 1.00 0.00 C ATOM 638 C HIS A 44 -14.448 -0.277 -0.592 1.00 0.00 C ATOM 639 O HIS A 44 -15.601 -0.547 -0.320 1.00 0.00 O ATOM 640 CB HIS A 44 -14.061 2.173 -0.953 1.00 0.00 C ATOM 641 CG HIS A 44 -15.452 2.690 -0.701 1.00 0.00 C ATOM 642 ND1 HIS A 44 -15.688 3.851 0.024 1.00 0.00 N ATOM 643 CD2 HIS A 44 -16.689 2.219 -1.067 1.00 0.00 C ATOM 644 CE1 HIS A 44 -17.020 4.038 0.071 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.671 3.072 -0.578 1.00 0.00 N ATOM 0 H HIS A 44 -11.748 1.300 -0.608 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.173 1.189 0.959 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.331 2.963 -0.774 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.958 1.874 -1.996 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -16.870 1.325 -1.645 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -17.501 4.866 0.571 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -18.680 2.979 -0.692 1.00 0.00 H new ATOM 653 N SER A 45 -13.730 -1.049 -1.372 1.00 0.00 N ATOM 654 CA SER A 45 -14.316 -2.299 -1.954 1.00 0.00 C ATOM 655 C SER A 45 -13.302 -3.433 -1.848 1.00 0.00 C ATOM 656 O SER A 45 -12.169 -3.236 -1.464 1.00 0.00 O ATOM 657 CB SER A 45 -14.662 -2.073 -3.424 1.00 0.00 C ATOM 658 OG SER A 45 -14.913 -3.328 -4.044 1.00 0.00 O ATOM 0 H SER A 45 -12.761 -0.867 -1.632 1.00 0.00 H new ATOM 0 HA SER A 45 -15.220 -2.559 -1.404 1.00 0.00 H new ATOM 0 HB2 SER A 45 -15.538 -1.430 -3.509 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.842 -1.562 -3.929 1.00 0.00 H new ATOM 0 HG SER A 45 -15.137 -3.188 -4.988 1.00 0.00 H new ATOM 664 N ILE A 46 -13.707 -4.624 -2.189 1.00 0.00 N ATOM 665 CA ILE A 46 -12.783 -5.790 -2.117 1.00 0.00 C ATOM 666 C ILE A 46 -12.145 -5.997 -3.496 1.00 0.00 C ATOM 667 O ILE A 46 -12.745 -6.568 -4.385 1.00 0.00 O ATOM 668 CB ILE A 46 -13.579 -7.050 -1.727 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.590 -6.745 -0.595 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.616 -8.142 -1.269 1.00 0.00 C ATOM 671 CD1 ILE A 46 -13.885 -6.576 0.764 1.00 0.00 C ATOM 0 H ILE A 46 -14.648 -4.842 -2.518 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.009 -5.607 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 46 -14.135 -7.387 -2.602 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.142 -5.836 -0.835 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.319 -7.553 -0.530 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.181 -9.033 -0.993 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.929 -8.384 -2.080 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.050 -7.790 -0.407 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.626 -6.363 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.354 -7.494 1.015 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.175 -5.751 0.705 1.00 0.00 H new ATOM 683 N CYS A 47 -10.936 -5.534 -3.685 1.00 0.00 N ATOM 684 CA CYS A 47 -10.268 -5.702 -5.012 1.00 0.00 C ATOM 685 C CYS A 47 -9.456 -7.000 -5.021 1.00 0.00 C ATOM 686 O CYS A 47 -8.997 -7.465 -3.997 1.00 0.00 O ATOM 687 CB CYS A 47 -9.342 -4.506 -5.276 1.00 0.00 C ATOM 688 SG CYS A 47 -7.795 -4.695 -4.350 1.00 0.00 S ATOM 0 H CYS A 47 -10.383 -5.048 -2.980 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.025 -5.750 -5.795 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.129 -4.430 -6.342 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.839 -3.581 -4.984 1.00 0.00 H new ATOM 693 N SER A 48 -9.273 -7.585 -6.174 1.00 0.00 N ATOM 694 CA SER A 48 -8.487 -8.850 -6.260 1.00 0.00 C ATOM 695 C SER A 48 -7.001 -8.514 -6.402 1.00 0.00 C ATOM 696 O SER A 48 -6.630 -7.391 -6.677 1.00 0.00 O ATOM 697 CB SER A 48 -8.954 -9.657 -7.477 1.00 0.00 C ATOM 698 OG SER A 48 -9.269 -8.764 -8.538 1.00 0.00 O ATOM 0 H SER A 48 -9.635 -7.240 -7.063 1.00 0.00 H new ATOM 0 HA SER A 48 -8.639 -9.440 -5.356 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.174 -10.351 -7.789 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.827 -10.255 -7.218 1.00 0.00 H new ATOM 0 HG SER A 48 -9.566 -9.276 -9.319 1.00 0.00 H new ATOM 704 N LEU A 49 -6.150 -9.486 -6.224 1.00 0.00 N ATOM 705 CA LEU A 49 -4.690 -9.233 -6.356 1.00 0.00 C ATOM 706 C LEU A 49 -4.420 -8.673 -7.747 1.00 0.00 C ATOM 707 O LEU A 49 -3.565 -7.833 -7.944 1.00 0.00 O ATOM 708 CB LEU A 49 -3.921 -10.548 -6.178 1.00 0.00 C ATOM 709 CG LEU A 49 -4.370 -11.267 -4.895 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.358 -12.358 -4.535 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.438 -10.285 -3.728 1.00 0.00 C ATOM 0 H LEU A 49 -6.404 -10.446 -5.992 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.365 -8.524 -5.595 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.088 -11.193 -7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.851 -10.347 -6.133 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.355 -11.699 -5.074 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.679 -12.866 -3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.295 -13.079 -5.350 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.379 -11.907 -4.373 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.757 -10.811 -2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.453 -9.848 -3.563 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.152 -9.494 -3.959 1.00 0.00 H new ATOM 723 N TYR A 50 -5.163 -9.133 -8.709 1.00 0.00 N ATOM 724 CA TYR A 50 -5.006 -8.659 -10.098 1.00 0.00 C ATOM 725 C TYR A 50 -4.858 -7.143 -10.117 1.00 0.00 C ATOM 726 O TYR A 50 -3.893 -6.599 -10.616 1.00 0.00 O ATOM 727 CB TYR A 50 -6.270 -9.059 -10.857 1.00 0.00 C ATOM 728 CG TYR A 50 -5.965 -9.149 -12.312 1.00 0.00 C ATOM 729 CD1 TYR A 50 -5.395 -10.311 -12.801 1.00 0.00 C ATOM 730 CD2 TYR A 50 -6.249 -8.081 -13.156 1.00 0.00 C ATOM 731 CE1 TYR A 50 -5.096 -10.422 -14.162 1.00 0.00 C ATOM 732 CE2 TYR A 50 -5.956 -8.178 -14.519 1.00 0.00 C ATOM 733 CZ TYR A 50 -5.378 -9.352 -15.026 1.00 0.00 C ATOM 734 OH TYR A 50 -5.086 -9.455 -16.370 1.00 0.00 O ATOM 0 H TYR A 50 -5.891 -9.836 -8.582 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.119 -9.096 -10.556 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.639 -10.017 -10.492 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.059 -8.327 -10.684 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.181 -11.131 -12.132 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.694 -7.180 -12.760 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.650 -11.327 -14.547 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.174 -7.352 -15.180 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.345 -8.627 -16.825 1.00 0.00 H new ATOM 744 N GLN A 51 -5.819 -6.467 -9.575 1.00 0.00 N ATOM 745 CA GLN A 51 -5.759 -4.982 -9.554 1.00 0.00 C ATOM 746 C GLN A 51 -4.513 -4.551 -8.799 1.00 0.00 C ATOM 747 O GLN A 51 -3.802 -3.656 -9.210 1.00 0.00 O ATOM 748 CB GLN A 51 -7.001 -4.430 -8.861 1.00 0.00 C ATOM 749 CG GLN A 51 -8.229 -5.209 -9.341 1.00 0.00 C ATOM 750 CD GLN A 51 -9.500 -4.468 -8.936 1.00 0.00 C ATOM 751 OE1 GLN A 51 -10.349 -5.012 -8.258 1.00 0.00 O ATOM 752 NE2 GLN A 51 -9.668 -3.241 -9.332 1.00 0.00 N ATOM 0 H GLN A 51 -6.648 -6.875 -9.143 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.722 -4.597 -10.573 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.899 -4.518 -7.779 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -7.117 -3.370 -9.085 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -8.196 -5.328 -10.424 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.228 -6.210 -8.910 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -8.954 -2.786 -9.901 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.514 -2.733 -9.074 1.00 0.00 H new ATOM 761 N LEU A 52 -4.230 -5.191 -7.704 1.00 0.00 N ATOM 762 CA LEU A 52 -3.018 -4.820 -6.944 1.00 0.00 C ATOM 763 C LEU A 52 -1.808 -5.066 -7.829 1.00 0.00 C ATOM 764 O LEU A 52 -0.815 -4.369 -7.764 1.00 0.00 O ATOM 765 CB LEU A 52 -2.925 -5.665 -5.679 1.00 0.00 C ATOM 766 CG LEU A 52 -4.103 -5.340 -4.750 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.964 -6.169 -3.487 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.102 -3.848 -4.374 1.00 0.00 C ATOM 0 H LEU A 52 -4.784 -5.950 -7.307 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.059 -3.770 -6.654 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.934 -6.724 -5.936 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.982 -5.469 -5.168 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.037 -5.570 -5.263 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.794 -5.950 -2.815 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.975 -7.228 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.023 -5.925 -2.993 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.945 -3.638 -3.715 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.171 -3.602 -3.862 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.189 -3.245 -5.278 1.00 0.00 H new ATOM 780 N GLU A 53 -1.896 -6.055 -8.670 1.00 0.00 N ATOM 781 CA GLU A 53 -0.771 -6.363 -9.586 1.00 0.00 C ATOM 782 C GLU A 53 -0.686 -5.236 -10.621 1.00 0.00 C ATOM 783 O GLU A 53 0.248 -5.143 -11.391 1.00 0.00 O ATOM 784 CB GLU A 53 -1.043 -7.733 -10.265 1.00 0.00 C ATOM 785 CG GLU A 53 0.183 -8.670 -10.159 1.00 0.00 C ATOM 786 CD GLU A 53 0.175 -9.676 -11.315 1.00 0.00 C ATOM 787 OE1 GLU A 53 -0.877 -10.230 -11.586 1.00 0.00 O ATOM 788 OE2 GLU A 53 1.223 -9.875 -11.908 1.00 0.00 O ATOM 0 H GLU A 53 -2.707 -6.667 -8.761 1.00 0.00 H new ATOM 0 HA GLU A 53 0.177 -6.429 -9.052 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.906 -8.207 -9.798 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.294 -7.577 -11.314 1.00 0.00 H new ATOM 0 HG2 GLU A 53 1.102 -8.084 -10.182 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.166 -9.199 -9.206 1.00 0.00 H new ATOM 795 N ASN A 54 -1.673 -4.384 -10.632 1.00 0.00 N ATOM 796 CA ASN A 54 -1.692 -3.255 -11.599 1.00 0.00 C ATOM 797 C ASN A 54 -0.710 -2.171 -11.145 1.00 0.00 C ATOM 798 O ASN A 54 -0.177 -1.430 -11.946 1.00 0.00 O ATOM 799 CB ASN A 54 -3.117 -2.680 -11.651 1.00 0.00 C ATOM 800 CG ASN A 54 -3.335 -1.926 -12.963 1.00 0.00 C ATOM 801 OD1 ASN A 54 -2.397 -1.445 -13.568 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.548 -1.802 -13.427 1.00 0.00 N ATOM 0 H ASN A 54 -2.476 -4.424 -10.004 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.396 -3.604 -12.588 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.846 -3.486 -11.561 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.277 -2.009 -10.807 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.711 -1.300 -14.300 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.333 -2.207 -12.917 1.00 0.00 H new ATOM 809 N TYR A 55 -0.474 -2.071 -9.861 1.00 0.00 N ATOM 810 CA TYR A 55 0.466 -1.032 -9.339 1.00 0.00 C ATOM 811 C TYR A 55 1.809 -1.674 -8.984 1.00 0.00 C ATOM 812 O TYR A 55 2.679 -1.037 -8.425 1.00 0.00 O ATOM 813 CB TYR A 55 -0.142 -0.400 -8.086 1.00 0.00 C ATOM 814 CG TYR A 55 -1.603 -0.134 -8.326 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.530 -1.151 -8.119 1.00 0.00 C ATOM 816 CD2 TYR A 55 -2.025 1.124 -8.755 1.00 0.00 C ATOM 817 CE1 TYR A 55 -3.896 -0.917 -8.340 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.386 1.365 -8.979 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.323 0.345 -8.770 1.00 0.00 C ATOM 820 OH TYR A 55 -5.665 0.583 -8.989 1.00 0.00 O ATOM 0 H TYR A 55 -0.894 -2.667 -9.148 1.00 0.00 H new ATOM 0 HA TYR A 55 0.627 -0.270 -10.102 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -0.017 -1.065 -7.231 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.374 0.529 -7.846 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.197 -2.123 -7.787 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.303 1.911 -8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.615 -1.707 -8.179 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.714 2.338 -9.313 1.00 0.00 H new ATOM 0 HH TYR A 55 -6.039 1.073 -8.227 1.00 0.00 H new ATOM 830 N CYS A 56 1.992 -2.928 -9.301 1.00 0.00 N ATOM 831 CA CYS A 56 3.288 -3.586 -8.972 1.00 0.00 C ATOM 832 C CYS A 56 4.339 -3.188 -10.009 1.00 0.00 C ATOM 833 O CYS A 56 4.299 -3.617 -11.145 1.00 0.00 O ATOM 834 CB CYS A 56 3.114 -5.105 -8.978 1.00 0.00 C ATOM 835 SG CYS A 56 2.197 -5.622 -7.504 1.00 0.00 S ATOM 0 H CYS A 56 1.306 -3.520 -9.769 1.00 0.00 H new ATOM 0 HA CYS A 56 3.613 -3.266 -7.982 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.581 -5.416 -9.877 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.089 -5.592 -9.001 1.00 0.00 H new ATOM 840 N ASN A 57 5.281 -2.369 -9.626 1.00 0.00 N ATOM 841 CA ASN A 57 6.336 -1.943 -10.588 1.00 0.00 C ATOM 842 C ASN A 57 5.683 -1.474 -11.889 1.00 0.00 C ATOM 843 O ASN A 57 5.238 -0.339 -11.929 1.00 0.00 O ATOM 844 CB ASN A 57 7.265 -3.123 -10.879 1.00 0.00 C ATOM 845 CG ASN A 57 8.335 -2.696 -11.885 1.00 0.00 C ATOM 846 OD1 ASN A 57 8.074 -2.613 -13.069 1.00 0.00 O ATOM 847 ND2 ASN A 57 9.538 -2.419 -11.462 1.00 0.00 N ATOM 848 OXT ASN A 57 5.638 -2.258 -12.822 1.00 0.00 O ATOM 0 H ASN A 57 5.365 -1.977 -8.688 1.00 0.00 H new ATOM 0 HA ASN A 57 6.912 -1.124 -10.157 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.734 -3.466 -9.957 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.692 -3.961 -11.276 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.258 -2.133 -12.125 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.758 -2.488 -10.468 1.00 0.00 H new