USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=12 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 1 PHE N :NH3+ 173:sc= -1.86! (180deg=-0.268) USER MOD Set 1.2: A 4 GLN :FLIP amide:sc= -1.82! C(o=-14!,f=-3.7!) USER MOD Single : A 3 ASN : amide:sc= -0.949 K(o=-0.95,f=-4.1!) USER MOD Single : A 5 HIS : no HD1:sc= -0.0338 K(o=-0.034,f=-2.4!) USER MOD Single : A 9 SER OG : rot 180:sc= 0.00548 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 53:sc= 0.00226 USER MOD Single : A 27 THR OG1 : rot 171:sc= -6.45! USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.0349 USER MOD Single : A 41 GLN : amide:sc= -0.209 K(o=-0.21,f=-1.3) USER MOD Single : A 44 HIS : no HD1:sc= -0.322 X(o=-0.32,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0247 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.559 K(o=-0.56,f=-3!) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 55 TYR OH : rot 102:sc= 0.468 USER MOD Single : A 57 ASN :FLIP amide:sc= 0.0282 F(o=-1.1,f=0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 -5.900 -12.388 2.687 1.00 0.00 N ATOM 2 CA PHE A 1 -5.661 -11.581 1.458 1.00 0.00 C ATOM 3 C PHE A 1 -6.581 -12.094 0.347 1.00 0.00 C ATOM 4 O PHE A 1 -6.250 -12.040 -0.820 1.00 0.00 O ATOM 5 CB PHE A 1 -4.194 -11.752 1.033 1.00 0.00 C ATOM 6 CG PHE A 1 -3.707 -10.664 0.101 1.00 0.00 C ATOM 7 CD1 PHE A 1 -4.575 -9.754 -0.518 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.334 -10.578 -0.140 1.00 0.00 C ATOM 9 CE1 PHE A 1 -4.060 -8.779 -1.364 1.00 0.00 C ATOM 10 CE2 PHE A 1 -1.824 -9.600 -0.983 1.00 0.00 C ATOM 11 CZ PHE A 1 -2.683 -8.699 -1.597 1.00 0.00 C ATOM 0 H1 PHE A 1 -5.201 -12.131 3.413 1.00 0.00 H new ATOM 0 H2 PHE A 1 -6.858 -12.199 3.046 1.00 0.00 H new ATOM 0 H3 PHE A 1 -5.809 -13.399 2.462 1.00 0.00 H new ATOM 0 HA PHE A 1 -5.867 -10.527 1.647 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -3.565 -11.766 1.923 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -4.076 -12.719 0.544 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -5.638 -9.810 -0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -1.663 -11.279 0.334 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -4.727 -8.079 -1.845 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -0.760 -9.540 -1.161 1.00 0.00 H new ATOM 0 HZ PHE A 1 -2.289 -7.937 -2.254 1.00 0.00 H new ATOM 23 N VAL A 2 -7.724 -12.617 0.710 1.00 0.00 N ATOM 24 CA VAL A 2 -8.666 -13.171 -0.311 1.00 0.00 C ATOM 25 C VAL A 2 -9.824 -12.195 -0.570 1.00 0.00 C ATOM 26 O VAL A 2 -9.738 -11.327 -1.416 1.00 0.00 O ATOM 27 CB VAL A 2 -9.217 -14.501 0.233 1.00 0.00 C ATOM 28 CG1 VAL A 2 -8.226 -15.633 -0.063 1.00 0.00 C ATOM 29 CG2 VAL A 2 -9.415 -14.391 1.756 1.00 0.00 C ATOM 0 H VAL A 2 -8.048 -12.685 1.675 1.00 0.00 H new ATOM 0 HA VAL A 2 -8.142 -13.325 -1.254 1.00 0.00 H new ATOM 0 HB VAL A 2 -10.171 -14.716 -0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -8.621 -16.572 0.324 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -8.080 -15.717 -1.140 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -7.271 -15.416 0.416 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -9.805 -15.333 2.141 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -8.459 -14.172 2.232 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -10.121 -13.590 1.974 1.00 0.00 H new ATOM 39 N ASN A 3 -10.911 -12.342 0.143 1.00 0.00 N ATOM 40 CA ASN A 3 -12.090 -11.441 -0.059 1.00 0.00 C ATOM 41 C ASN A 3 -12.102 -10.355 1.011 1.00 0.00 C ATOM 42 O ASN A 3 -13.137 -9.815 1.347 1.00 0.00 O ATOM 43 CB ASN A 3 -13.382 -12.256 0.038 1.00 0.00 C ATOM 44 CG ASN A 3 -13.245 -13.537 -0.783 1.00 0.00 C ATOM 45 OD1 ASN A 3 -12.479 -14.415 -0.441 1.00 0.00 O ATOM 46 ND2 ASN A 3 -13.964 -13.681 -1.857 1.00 0.00 N ATOM 0 H ASN A 3 -11.035 -13.053 0.863 1.00 0.00 H new ATOM 0 HA ASN A 3 -12.019 -10.979 -1.044 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -13.592 -12.501 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -14.223 -11.667 -0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -13.885 -14.532 -2.413 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -14.607 -12.943 -2.143 1.00 0.00 H new ATOM 53 N GLN A 4 -10.964 -10.036 1.555 1.00 0.00 N ATOM 54 CA GLN A 4 -10.904 -8.988 2.615 1.00 0.00 C ATOM 55 C GLN A 4 -10.537 -7.642 1.987 1.00 0.00 C ATOM 56 O GLN A 4 -9.971 -7.570 0.914 1.00 0.00 O ATOM 57 CB GLN A 4 -9.860 -9.388 3.673 1.00 0.00 C ATOM 58 CG GLN A 4 -8.754 -10.239 3.036 1.00 0.00 C ATOM 59 CD GLN A 4 -7.710 -10.585 4.098 1.00 0.00 C ATOM 60 OE1 GLN A 4 -7.532 -11.834 4.433 1.00 0.00 O flip ATOM 61 NE2 GLN A 4 -7.052 -9.712 4.628 1.00 0.00 N flip ATOM 0 H GLN A 4 -10.067 -10.456 1.312 1.00 0.00 H new ATOM 0 HA GLN A 4 -11.878 -8.896 3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -9.427 -8.494 4.122 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -10.341 -9.947 4.475 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -9.177 -11.151 2.615 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -8.288 -9.695 2.215 1.00 0.00 H new ATOM 0 HE21 GLN A 4 -7.193 -8.737 4.365 1.00 0.00 H new ATOM 0 HE22 GLN A 4 -6.359 -9.954 5.336 1.00 0.00 H new ATOM 70 N HIS A 5 -10.879 -6.574 2.654 1.00 0.00 N ATOM 71 CA HIS A 5 -10.585 -5.211 2.123 1.00 0.00 C ATOM 72 C HIS A 5 -9.238 -4.718 2.664 1.00 0.00 C ATOM 73 O HIS A 5 -8.934 -4.853 3.832 1.00 0.00 O ATOM 74 CB HIS A 5 -11.706 -4.252 2.559 1.00 0.00 C ATOM 75 CG HIS A 5 -12.209 -4.647 3.923 1.00 0.00 C ATOM 76 ND1 HIS A 5 -13.179 -5.626 4.100 1.00 0.00 N ATOM 77 CD2 HIS A 5 -11.891 -4.202 5.184 1.00 0.00 C ATOM 78 CE1 HIS A 5 -13.407 -5.738 5.423 1.00 0.00 C ATOM 79 NE2 HIS A 5 -12.649 -4.893 6.122 1.00 0.00 N ATOM 0 H HIS A 5 -11.356 -6.587 3.556 1.00 0.00 H new ATOM 0 HA HIS A 5 -10.533 -5.246 1.035 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -11.334 -3.228 2.580 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -12.523 -4.279 1.837 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -11.165 -3.435 5.411 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -14.115 -6.426 5.862 1.00 0.00 H new ATOM 0 HE2 HIS A 5 -12.629 -4.777 7.135 1.00 0.00 H new ATOM 87 N LEU A 6 -8.433 -4.142 1.811 1.00 0.00 N ATOM 88 CA LEU A 6 -7.101 -3.623 2.242 1.00 0.00 C ATOM 89 C LEU A 6 -7.224 -2.120 2.506 1.00 0.00 C ATOM 90 O LEU A 6 -7.817 -1.394 1.735 1.00 0.00 O ATOM 91 CB LEU A 6 -6.079 -3.855 1.110 1.00 0.00 C ATOM 92 CG LEU A 6 -5.350 -5.219 1.238 1.00 0.00 C ATOM 93 CD1 LEU A 6 -6.242 -6.310 1.849 1.00 0.00 C ATOM 94 CD2 LEU A 6 -4.906 -5.674 -0.156 1.00 0.00 C ATOM 0 H LEU A 6 -8.644 -4.007 0.822 1.00 0.00 H new ATOM 0 HA LEU A 6 -6.772 -4.137 3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.590 -3.809 0.148 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.343 -3.051 1.119 1.00 0.00 H new ATOM 0 HG LEU A 6 -4.499 -5.075 1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -5.682 -7.243 1.915 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -6.558 -6.005 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.119 -6.458 1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -4.392 -6.632 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -5.779 -5.781 -0.799 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -4.230 -4.933 -0.583 1.00 0.00 H new ATOM 106 N CYS A 7 -6.657 -1.647 3.579 1.00 0.00 N ATOM 107 CA CYS A 7 -6.732 -0.190 3.881 1.00 0.00 C ATOM 108 C CYS A 7 -5.500 0.223 4.694 1.00 0.00 C ATOM 109 O CYS A 7 -5.209 -0.336 5.732 1.00 0.00 O ATOM 110 CB CYS A 7 -8.020 0.094 4.671 1.00 0.00 C ATOM 111 SG CYS A 7 -8.689 1.708 4.186 1.00 0.00 S ATOM 0 H CYS A 7 -6.144 -2.206 4.261 1.00 0.00 H new ATOM 0 HA CYS A 7 -6.750 0.386 2.956 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.755 -0.688 4.480 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.812 0.082 5.741 1.00 0.00 H new ATOM 116 N GLY A 8 -4.780 1.201 4.227 1.00 0.00 N ATOM 117 CA GLY A 8 -3.567 1.654 4.968 1.00 0.00 C ATOM 118 C GLY A 8 -2.455 0.606 4.844 1.00 0.00 C ATOM 119 O GLY A 8 -2.320 -0.055 3.834 1.00 0.00 O ATOM 0 H GLY A 8 -4.977 1.708 3.364 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -3.224 2.609 4.571 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -3.811 1.815 6.018 1.00 0.00 H new ATOM 123 N SER A 9 -1.652 0.459 5.866 1.00 0.00 N ATOM 124 CA SER A 9 -0.537 -0.534 5.816 1.00 0.00 C ATOM 125 C SER A 9 -1.052 -1.882 5.306 1.00 0.00 C ATOM 126 O SER A 9 -0.337 -2.619 4.657 1.00 0.00 O ATOM 127 CB SER A 9 0.045 -0.713 7.218 1.00 0.00 C ATOM 128 OG SER A 9 0.327 0.563 7.777 1.00 0.00 O ATOM 0 H SER A 9 -1.721 0.986 6.737 1.00 0.00 H new ATOM 0 HA SER A 9 0.234 -0.168 5.138 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.660 -1.252 7.851 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.955 -1.312 7.173 1.00 0.00 H new ATOM 0 HG SER A 9 0.699 0.451 8.677 1.00 0.00 H new ATOM 134 N ASP A 10 -2.285 -2.218 5.586 1.00 0.00 N ATOM 135 CA ASP A 10 -2.824 -3.522 5.104 1.00 0.00 C ATOM 136 C ASP A 10 -2.506 -3.662 3.614 1.00 0.00 C ATOM 137 O ASP A 10 -1.983 -4.665 3.169 1.00 0.00 O ATOM 138 CB ASP A 10 -4.346 -3.553 5.324 1.00 0.00 C ATOM 139 CG ASP A 10 -4.660 -4.040 6.743 1.00 0.00 C ATOM 140 OD1 ASP A 10 -4.680 -5.243 6.944 1.00 0.00 O ATOM 141 OD2 ASP A 10 -4.872 -3.201 7.603 1.00 0.00 O ATOM 0 H ASP A 10 -2.938 -1.648 6.125 1.00 0.00 H new ATOM 0 HA ASP A 10 -2.370 -4.347 5.653 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -4.764 -2.558 5.171 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -4.814 -4.212 4.593 1.00 0.00 H new ATOM 146 N LEU A 11 -2.813 -2.658 2.844 1.00 0.00 N ATOM 147 CA LEU A 11 -2.525 -2.724 1.387 1.00 0.00 C ATOM 148 C LEU A 11 -1.031 -2.992 1.175 1.00 0.00 C ATOM 149 O LEU A 11 -0.647 -3.925 0.499 1.00 0.00 O ATOM 150 CB LEU A 11 -2.905 -1.386 0.728 1.00 0.00 C ATOM 151 CG LEU A 11 -2.434 -1.358 -0.733 1.00 0.00 C ATOM 152 CD1 LEU A 11 -2.907 -2.605 -1.464 1.00 0.00 C ATOM 153 CD2 LEU A 11 -3.012 -0.131 -1.441 1.00 0.00 C ATOM 0 H LEU A 11 -3.252 -1.794 3.161 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.107 -3.528 0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.985 -1.245 0.772 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.454 -0.561 1.279 1.00 0.00 H new ATOM 0 HG LEU A 11 -1.345 -1.318 -0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.566 -2.572 -2.499 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.499 -3.490 -0.976 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.996 -2.648 -1.442 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.674 -0.116 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.101 -0.175 -1.415 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.673 0.774 -0.936 1.00 0.00 H new ATOM 165 N VAL A 12 -0.186 -2.170 1.740 1.00 0.00 N ATOM 166 CA VAL A 12 1.283 -2.365 1.564 1.00 0.00 C ATOM 167 C VAL A 12 1.646 -3.834 1.786 1.00 0.00 C ATOM 168 O VAL A 12 2.072 -4.521 0.878 1.00 0.00 O ATOM 169 CB VAL A 12 2.040 -1.507 2.581 1.00 0.00 C ATOM 170 CG1 VAL A 12 3.536 -1.514 2.250 1.00 0.00 C ATOM 171 CG2 VAL A 12 1.520 -0.069 2.526 1.00 0.00 C ATOM 0 H VAL A 12 -0.450 -1.371 2.316 1.00 0.00 H new ATOM 0 HA VAL A 12 1.559 -2.071 0.551 1.00 0.00 H new ATOM 0 HB VAL A 12 1.885 -1.915 3.580 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.072 -0.902 2.976 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.912 -2.536 2.288 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.689 -1.108 1.250 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.060 0.541 3.250 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.673 0.335 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.456 -0.058 2.763 1.00 0.00 H new ATOM 181 N GLU A 13 1.487 -4.322 2.986 1.00 0.00 N ATOM 182 CA GLU A 13 1.831 -5.746 3.262 1.00 0.00 C ATOM 183 C GLU A 13 1.223 -6.632 2.180 1.00 0.00 C ATOM 184 O GLU A 13 1.740 -7.683 1.864 1.00 0.00 O ATOM 185 CB GLU A 13 1.271 -6.154 4.625 1.00 0.00 C ATOM 186 CG GLU A 13 1.788 -5.197 5.700 1.00 0.00 C ATOM 187 CD GLU A 13 1.157 -5.552 7.048 1.00 0.00 C ATOM 188 OE1 GLU A 13 -0.060 -5.551 7.128 1.00 0.00 O ATOM 189 OE2 GLU A 13 1.902 -5.819 7.977 1.00 0.00 O ATOM 0 H GLU A 13 1.134 -3.797 3.786 1.00 0.00 H new ATOM 0 HA GLU A 13 2.915 -5.863 3.266 1.00 0.00 H new ATOM 0 HB2 GLU A 13 0.181 -6.136 4.602 1.00 0.00 H new ATOM 0 HB3 GLU A 13 1.568 -7.176 4.860 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.874 -5.261 5.767 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.546 -4.168 5.433 1.00 0.00 H new ATOM 196 N ALA A 14 0.129 -6.216 1.605 1.00 0.00 N ATOM 197 CA ALA A 14 -0.506 -7.038 0.541 1.00 0.00 C ATOM 198 C ALA A 14 0.252 -6.830 -0.776 1.00 0.00 C ATOM 199 O ALA A 14 0.706 -7.775 -1.387 1.00 0.00 O ATOM 200 CB ALA A 14 -1.989 -6.640 0.405 1.00 0.00 C ATOM 0 H ALA A 14 -0.351 -5.344 1.826 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.460 -8.096 0.800 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -2.457 -7.241 -0.375 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -2.500 -6.812 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.060 -5.585 0.141 1.00 0.00 H new ATOM 206 N LEU A 15 0.411 -5.611 -1.224 1.00 0.00 N ATOM 207 CA LEU A 15 1.155 -5.412 -2.499 1.00 0.00 C ATOM 208 C LEU A 15 2.491 -6.158 -2.409 1.00 0.00 C ATOM 209 O LEU A 15 2.988 -6.684 -3.384 1.00 0.00 O ATOM 210 CB LEU A 15 1.437 -3.923 -2.751 1.00 0.00 C ATOM 211 CG LEU A 15 0.167 -3.197 -3.251 1.00 0.00 C ATOM 212 CD1 LEU A 15 0.259 -1.694 -2.940 1.00 0.00 C ATOM 213 CD2 LEU A 15 0.029 -3.360 -4.771 1.00 0.00 C ATOM 0 H LEU A 15 0.066 -4.764 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 15 0.547 -5.793 -3.320 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.790 -3.455 -1.832 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.234 -3.819 -3.488 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.694 -3.634 -2.746 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.641 -1.193 -3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 15 0.352 -1.550 -1.864 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.131 -1.272 -3.439 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -0.869 -2.845 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.902 -2.932 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.044 -4.419 -5.018 1.00 0.00 H new ATOM 225 N TYR A 16 3.080 -6.197 -1.242 1.00 0.00 N ATOM 226 CA TYR A 16 4.387 -6.895 -1.087 1.00 0.00 C ATOM 227 C TYR A 16 4.317 -8.303 -1.695 1.00 0.00 C ATOM 228 O TYR A 16 5.174 -8.685 -2.465 1.00 0.00 O ATOM 229 CB TYR A 16 4.754 -6.968 0.395 1.00 0.00 C ATOM 230 CG TYR A 16 6.033 -7.756 0.560 1.00 0.00 C ATOM 231 CD1 TYR A 16 7.226 -7.282 0.000 1.00 0.00 C ATOM 232 CD2 TYR A 16 6.027 -8.958 1.273 1.00 0.00 C ATOM 233 CE1 TYR A 16 8.411 -8.012 0.154 1.00 0.00 C ATOM 234 CE2 TYR A 16 7.211 -9.690 1.428 1.00 0.00 C ATOM 235 CZ TYR A 16 8.404 -9.216 0.868 1.00 0.00 C ATOM 236 OH TYR A 16 9.572 -9.935 1.020 1.00 0.00 O ATOM 0 H TYR A 16 2.711 -5.775 -0.390 1.00 0.00 H new ATOM 0 HA TYR A 16 5.158 -6.335 -1.617 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.879 -5.964 0.799 1.00 0.00 H new ATOM 0 HB3 TYR A 16 3.948 -7.440 0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 16 7.232 -6.353 -0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 16 5.107 -9.323 1.705 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.331 -7.646 -0.278 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.204 -10.619 1.979 1.00 0.00 H new ATOM 0 HH TYR A 16 9.392 -10.744 1.542 1.00 0.00 H new ATOM 246 N LEU A 17 3.311 -9.080 -1.382 1.00 0.00 N ATOM 247 CA LEU A 17 3.234 -10.444 -1.985 1.00 0.00 C ATOM 248 C LEU A 17 2.929 -10.300 -3.471 1.00 0.00 C ATOM 249 O LEU A 17 3.584 -10.874 -4.318 1.00 0.00 O ATOM 250 CB LEU A 17 2.100 -11.265 -1.362 1.00 0.00 C ATOM 251 CG LEU A 17 2.283 -11.409 0.155 1.00 0.00 C ATOM 252 CD1 LEU A 17 2.004 -10.069 0.858 1.00 0.00 C ATOM 253 CD2 LEU A 17 1.313 -12.488 0.672 1.00 0.00 C ATOM 0 H LEU A 17 2.552 -8.835 -0.746 1.00 0.00 H new ATOM 0 HA LEU A 17 4.184 -10.949 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.144 -10.785 -1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.068 -12.253 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 17 3.311 -11.701 0.371 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.138 -10.187 1.933 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.696 -9.313 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.980 -9.756 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.434 -12.600 1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.288 -12.192 0.450 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.530 -13.437 0.182 1.00 0.00 H new ATOM 265 N VAL A 18 1.919 -9.539 -3.783 1.00 0.00 N ATOM 266 CA VAL A 18 1.531 -9.346 -5.204 1.00 0.00 C ATOM 267 C VAL A 18 2.751 -8.946 -6.029 1.00 0.00 C ATOM 268 O VAL A 18 3.115 -9.603 -6.984 1.00 0.00 O ATOM 269 CB VAL A 18 0.494 -8.228 -5.292 1.00 0.00 C ATOM 270 CG1 VAL A 18 0.049 -8.058 -6.727 1.00 0.00 C ATOM 271 CG2 VAL A 18 -0.723 -8.562 -4.445 1.00 0.00 C ATOM 0 H VAL A 18 1.341 -9.039 -3.107 1.00 0.00 H new ATOM 0 HA VAL A 18 1.119 -10.278 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 18 0.950 -7.308 -4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.691 -7.260 -6.786 1.00 0.00 H new ATOM 0 HG12 VAL A 18 0.909 -7.803 -7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.392 -8.989 -7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.451 -7.754 -4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.171 -9.489 -4.802 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.420 -8.682 -3.405 1.00 0.00 H new ATOM 281 N CYS A 19 3.371 -7.859 -5.678 1.00 0.00 N ATOM 282 CA CYS A 19 4.554 -7.392 -6.447 1.00 0.00 C ATOM 283 C CYS A 19 5.770 -8.249 -6.093 1.00 0.00 C ATOM 284 O CYS A 19 6.703 -8.372 -6.860 1.00 0.00 O ATOM 285 CB CYS A 19 4.833 -5.935 -6.086 1.00 0.00 C ATOM 286 SG CYS A 19 3.274 -5.015 -5.966 1.00 0.00 S ATOM 0 H CYS A 19 3.109 -7.270 -4.888 1.00 0.00 H new ATOM 0 HA CYS A 19 4.357 -7.478 -7.516 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.369 -5.883 -5.138 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.475 -5.481 -6.841 1.00 0.00 H new ATOM 291 N GLY A 20 5.760 -8.849 -4.942 1.00 0.00 N ATOM 292 CA GLY A 20 6.910 -9.705 -4.540 1.00 0.00 C ATOM 293 C GLY A 20 8.215 -8.912 -4.636 1.00 0.00 C ATOM 294 O GLY A 20 8.309 -7.791 -4.176 1.00 0.00 O ATOM 0 H GLY A 20 5.005 -8.786 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.768 -10.064 -3.521 1.00 0.00 H new ATOM 0 HA3 GLY A 20 6.961 -10.584 -5.183 1.00 0.00 H new ATOM 298 N GLU A 21 9.227 -9.492 -5.223 1.00 0.00 N ATOM 299 CA GLU A 21 10.534 -8.784 -5.344 1.00 0.00 C ATOM 300 C GLU A 21 10.451 -7.720 -6.434 1.00 0.00 C ATOM 301 O GLU A 21 11.322 -6.883 -6.564 1.00 0.00 O ATOM 302 CB GLU A 21 11.619 -9.791 -5.720 1.00 0.00 C ATOM 303 CG GLU A 21 11.871 -10.731 -4.542 1.00 0.00 C ATOM 304 CD GLU A 21 13.069 -11.631 -4.852 1.00 0.00 C ATOM 305 OE1 GLU A 21 14.181 -11.130 -4.835 1.00 0.00 O ATOM 306 OE2 GLU A 21 12.852 -12.805 -5.102 1.00 0.00 O ATOM 0 H GLU A 21 9.205 -10.429 -5.625 1.00 0.00 H new ATOM 0 HA GLU A 21 10.773 -8.311 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 21 11.312 -10.362 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.538 -9.269 -5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 21 12.061 -10.154 -3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.986 -11.339 -4.352 1.00 0.00 H new ATOM 313 N ARG A 22 9.419 -7.746 -7.223 1.00 0.00 N ATOM 314 CA ARG A 22 9.296 -6.737 -8.308 1.00 0.00 C ATOM 315 C ARG A 22 9.359 -5.338 -7.696 1.00 0.00 C ATOM 316 O ARG A 22 9.755 -4.386 -8.338 1.00 0.00 O ATOM 317 CB ARG A 22 7.958 -6.913 -9.035 1.00 0.00 C ATOM 318 CG ARG A 22 7.787 -8.377 -9.487 1.00 0.00 C ATOM 319 CD ARG A 22 6.304 -8.679 -9.823 1.00 0.00 C ATOM 320 NE ARG A 22 6.202 -9.373 -11.153 1.00 0.00 N ATOM 321 CZ ARG A 22 6.712 -8.855 -12.240 1.00 0.00 C ATOM 322 NH1 ARG A 22 7.246 -7.664 -12.214 1.00 0.00 N ATOM 323 NH2 ARG A 22 6.663 -9.521 -13.362 1.00 0.00 N ATOM 0 H ARG A 22 8.656 -8.420 -7.165 1.00 0.00 H new ATOM 0 HA ARG A 22 10.110 -6.869 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 22 7.137 -6.630 -8.376 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.915 -6.250 -9.899 1.00 0.00 H new ATOM 0 HG2 ARG A 22 8.409 -8.567 -10.362 1.00 0.00 H new ATOM 0 HG3 ARG A 22 8.130 -9.048 -8.700 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.868 -9.304 -9.044 1.00 0.00 H new ATOM 0 HD3 ARG A 22 5.732 -7.751 -9.844 1.00 0.00 H new ATOM 0 HE ARG A 22 5.722 -10.271 -11.209 1.00 0.00 H new ATOM 0 HH11 ARG A 22 7.267 -7.133 -11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.643 -7.264 -13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 22 6.228 -10.443 -13.389 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.060 -9.119 -14.211 1.00 0.00 H new ATOM 337 N GLY A 23 8.967 -5.207 -6.458 1.00 0.00 N ATOM 338 CA GLY A 23 8.997 -3.868 -5.808 1.00 0.00 C ATOM 339 C GLY A 23 7.826 -3.041 -6.330 1.00 0.00 C ATOM 340 O GLY A 23 7.328 -3.273 -7.414 1.00 0.00 O ATOM 0 H GLY A 23 8.628 -5.969 -5.870 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.932 -3.973 -4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.940 -3.365 -6.023 1.00 0.00 H new ATOM 344 N PHE A 24 7.369 -2.083 -5.572 1.00 0.00 N ATOM 345 CA PHE A 24 6.224 -1.259 -6.036 1.00 0.00 C ATOM 346 C PHE A 24 6.232 0.092 -5.331 1.00 0.00 C ATOM 347 O PHE A 24 7.005 0.335 -4.426 1.00 0.00 O ATOM 348 CB PHE A 24 4.918 -1.987 -5.724 1.00 0.00 C ATOM 349 CG PHE A 24 4.704 -2.049 -4.227 1.00 0.00 C ATOM 350 CD1 PHE A 24 5.212 -3.128 -3.494 1.00 0.00 C ATOM 351 CD2 PHE A 24 3.991 -1.034 -3.572 1.00 0.00 C ATOM 352 CE1 PHE A 24 5.006 -3.195 -2.112 1.00 0.00 C ATOM 353 CE2 PHE A 24 3.788 -1.104 -2.188 1.00 0.00 C ATOM 354 CZ PHE A 24 4.294 -2.184 -1.461 1.00 0.00 C ATOM 0 H PHE A 24 7.739 -1.837 -4.654 1.00 0.00 H new ATOM 0 HA PHE A 24 6.310 -1.100 -7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 24 4.083 -1.471 -6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 24 4.946 -2.995 -6.138 1.00 0.00 H new ATOM 0 HD1 PHE A 24 5.763 -3.909 -3.996 1.00 0.00 H new ATOM 0 HD2 PHE A 24 3.599 -0.199 -4.134 1.00 0.00 H new ATOM 0 HE1 PHE A 24 5.397 -4.029 -1.548 1.00 0.00 H new ATOM 0 HE2 PHE A 24 3.240 -0.323 -1.683 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.135 -2.238 -0.394 1.00 0.00 H new ATOM 364 N PHE A 25 5.363 0.966 -5.752 1.00 0.00 N ATOM 365 CA PHE A 25 5.270 2.324 -5.140 1.00 0.00 C ATOM 366 C PHE A 25 3.894 2.496 -4.503 1.00 0.00 C ATOM 367 O PHE A 25 2.891 2.090 -5.054 1.00 0.00 O ATOM 368 CB PHE A 25 5.442 3.379 -6.237 1.00 0.00 C ATOM 369 CG PHE A 25 4.417 3.145 -7.326 1.00 0.00 C ATOM 370 CD1 PHE A 25 3.099 3.600 -7.163 1.00 0.00 C ATOM 371 CD2 PHE A 25 4.782 2.470 -8.497 1.00 0.00 C ATOM 372 CE1 PHE A 25 2.150 3.378 -8.171 1.00 0.00 C ATOM 373 CE2 PHE A 25 3.834 2.249 -9.504 1.00 0.00 C ATOM 374 CZ PHE A 25 2.518 2.703 -9.341 1.00 0.00 C ATOM 0 H PHE A 25 4.700 0.795 -6.508 1.00 0.00 H new ATOM 0 HA PHE A 25 6.046 2.440 -4.383 1.00 0.00 H new ATOM 0 HB2 PHE A 25 5.322 4.378 -5.818 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.448 3.327 -6.652 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.816 4.121 -6.261 1.00 0.00 H new ATOM 0 HD2 PHE A 25 5.796 2.119 -8.624 1.00 0.00 H new ATOM 0 HE1 PHE A 25 1.136 3.727 -8.045 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.117 1.728 -10.407 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.788 2.532 -10.118 1.00 0.00 H new ATOM 384 N TYR A 26 3.829 3.108 -3.353 1.00 0.00 N ATOM 385 CA TYR A 26 2.505 3.317 -2.710 1.00 0.00 C ATOM 386 C TYR A 26 1.841 4.515 -3.387 1.00 0.00 C ATOM 387 O TYR A 26 2.456 5.208 -4.173 1.00 0.00 O ATOM 388 CB TYR A 26 2.675 3.585 -1.205 1.00 0.00 C ATOM 389 CG TYR A 26 1.386 3.247 -0.484 1.00 0.00 C ATOM 390 CD1 TYR A 26 0.961 1.915 -0.407 1.00 0.00 C ATOM 391 CD2 TYR A 26 0.612 4.261 0.100 1.00 0.00 C ATOM 392 CE1 TYR A 26 -0.233 1.599 0.255 1.00 0.00 C ATOM 393 CE2 TYR A 26 -0.581 3.941 0.760 1.00 0.00 C ATOM 394 CZ TYR A 26 -1.002 2.612 0.838 1.00 0.00 C ATOM 395 OH TYR A 26 -2.177 2.298 1.490 1.00 0.00 O ATOM 0 H TYR A 26 4.630 3.469 -2.835 1.00 0.00 H new ATOM 0 HA TYR A 26 1.888 2.426 -2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 26 3.494 2.986 -0.808 1.00 0.00 H new ATOM 0 HB3 TYR A 26 2.935 4.630 -1.038 1.00 0.00 H new ATOM 0 HD1 TYR A 26 1.553 1.132 -0.857 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.937 5.289 0.041 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.560 0.572 0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.176 4.723 1.209 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.004 1.605 2.161 1.00 0.00 H new ATOM 405 N THR A 27 0.596 4.761 -3.112 1.00 0.00 N ATOM 406 CA THR A 27 -0.082 5.908 -3.768 1.00 0.00 C ATOM 407 C THR A 27 0.566 7.226 -3.325 1.00 0.00 C ATOM 408 O THR A 27 1.452 7.247 -2.495 1.00 0.00 O ATOM 409 CB THR A 27 -1.563 5.906 -3.407 1.00 0.00 C ATOM 410 OG1 THR A 27 -2.182 7.020 -4.020 1.00 0.00 O ATOM 411 CG2 THR A 27 -1.731 5.986 -1.888 1.00 0.00 C ATOM 0 H THR A 27 0.020 4.222 -2.465 1.00 0.00 H new ATOM 0 HA THR A 27 0.021 5.812 -4.849 1.00 0.00 H new ATOM 0 HB THR A 27 -2.027 4.985 -3.760 1.00 0.00 H new ATOM 0 HG1 THR A 27 -3.154 6.951 -3.918 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.792 5.984 -1.639 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.247 5.127 -1.423 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.273 6.904 -1.519 1.00 0.00 H new ATOM 419 N ASP A 28 0.139 8.320 -3.901 1.00 0.00 N ATOM 420 CA ASP A 28 0.731 9.649 -3.555 1.00 0.00 C ATOM 421 C ASP A 28 0.934 9.761 -2.014 1.00 0.00 C ATOM 422 O ASP A 28 0.168 9.187 -1.266 1.00 0.00 O ATOM 423 CB ASP A 28 -0.230 10.757 -4.062 1.00 0.00 C ATOM 424 CG ASP A 28 0.397 11.526 -5.234 1.00 0.00 C ATOM 425 OD1 ASP A 28 1.140 12.459 -4.976 1.00 0.00 O ATOM 426 OD2 ASP A 28 0.119 11.169 -6.367 1.00 0.00 O ATOM 0 H ASP A 28 -0.601 8.351 -4.602 1.00 0.00 H new ATOM 0 HA ASP A 28 1.706 9.762 -4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -1.173 10.311 -4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -0.459 11.446 -3.249 1.00 0.00 H new ATOM 431 N PRO A 29 1.955 10.494 -1.576 1.00 0.00 N ATOM 432 CA PRO A 29 2.241 10.671 -0.128 1.00 0.00 C ATOM 433 C PRO A 29 1.277 11.692 0.504 1.00 0.00 C ATOM 434 O PRO A 29 1.309 11.927 1.696 1.00 0.00 O ATOM 435 CB PRO A 29 3.672 11.239 -0.103 1.00 0.00 C ATOM 436 CG PRO A 29 3.910 11.873 -1.493 1.00 0.00 C ATOM 437 CD PRO A 29 2.920 11.198 -2.460 1.00 0.00 C ATOM 0 HA PRO A 29 2.128 9.741 0.430 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.782 11.982 0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.400 10.452 0.095 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.746 12.950 -1.461 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.938 11.716 -1.819 1.00 0.00 H new ATOM 0 HD2 PRO A 29 2.418 11.932 -3.090 1.00 0.00 H new ATOM 0 HD3 PRO A 29 3.429 10.501 -3.126 1.00 0.00 H new ATOM 445 N THR A 30 0.466 12.335 -0.284 1.00 0.00 N ATOM 446 CA THR A 30 -0.445 13.380 0.273 1.00 0.00 C ATOM 447 C THR A 30 -1.274 12.823 1.435 1.00 0.00 C ATOM 448 O THR A 30 -1.465 13.485 2.436 1.00 0.00 O ATOM 449 CB THR A 30 -1.370 13.875 -0.839 1.00 0.00 C ATOM 450 OG1 THR A 30 -2.227 12.817 -1.247 1.00 0.00 O ATOM 451 CG2 THR A 30 -0.522 14.340 -2.027 1.00 0.00 C ATOM 0 H THR A 30 0.391 12.185 -1.290 1.00 0.00 H new ATOM 0 HA THR A 30 0.155 14.206 0.655 1.00 0.00 H new ATOM 0 HB THR A 30 -1.974 14.706 -0.475 1.00 0.00 H new ATOM 0 HG1 THR A 30 -2.822 13.134 -1.959 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.176 14.694 -2.824 1.00 0.00 H new ATOM 0 HG22 THR A 30 0.136 15.149 -1.710 1.00 0.00 H new ATOM 0 HG23 THR A 30 0.078 13.507 -2.394 1.00 0.00 H new ATOM 459 N GLY A 31 -1.755 11.621 1.329 1.00 0.00 N ATOM 460 CA GLY A 31 -2.554 11.041 2.451 1.00 0.00 C ATOM 461 C GLY A 31 -3.888 11.784 2.606 1.00 0.00 C ATOM 462 O GLY A 31 -4.796 11.305 3.256 1.00 0.00 O ATOM 0 H GLY A 31 -1.633 11.012 0.520 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.740 9.984 2.263 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -1.986 11.104 3.379 1.00 0.00 H new ATOM 466 N GLY A 32 -4.021 12.947 2.018 1.00 0.00 N ATOM 467 CA GLY A 32 -5.305 13.713 2.139 1.00 0.00 C ATOM 468 C GLY A 32 -6.176 13.429 0.918 1.00 0.00 C ATOM 469 O GLY A 32 -7.377 13.613 0.934 1.00 0.00 O ATOM 0 H GLY A 32 -3.298 13.401 1.459 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.830 13.425 3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.100 14.781 2.214 1.00 0.00 H new ATOM 473 N GLY A 33 -5.572 12.968 -0.134 1.00 0.00 N ATOM 474 CA GLY A 33 -6.329 12.643 -1.369 1.00 0.00 C ATOM 475 C GLY A 33 -5.370 11.973 -2.358 1.00 0.00 C ATOM 476 O GLY A 33 -5.225 12.429 -3.475 1.00 0.00 O ATOM 0 H GLY A 33 -4.568 12.799 -0.192 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -7.163 11.979 -1.140 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.752 13.548 -1.804 1.00 0.00 H new ATOM 480 N PRO A 34 -4.723 10.913 -1.915 1.00 0.00 N ATOM 481 CA PRO A 34 -3.755 10.184 -2.754 1.00 0.00 C ATOM 482 C PRO A 34 -4.471 9.482 -3.913 1.00 0.00 C ATOM 483 O PRO A 34 -5.660 9.631 -4.113 1.00 0.00 O ATOM 484 CB PRO A 34 -3.131 9.148 -1.801 1.00 0.00 C ATOM 485 CG PRO A 34 -4.070 9.044 -0.581 1.00 0.00 C ATOM 486 CD PRO A 34 -4.896 10.341 -0.555 1.00 0.00 C ATOM 0 HA PRO A 34 -3.011 10.843 -3.201 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.029 8.181 -2.294 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -2.132 9.457 -1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.719 8.172 -0.664 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.498 8.929 0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.945 10.140 -0.338 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.537 11.026 0.213 1.00 0.00 H new ATOM 494 N ARG A 35 -3.744 8.700 -4.663 1.00 0.00 N ATOM 495 CA ARG A 35 -4.361 7.964 -5.795 1.00 0.00 C ATOM 496 C ARG A 35 -5.518 7.123 -5.255 1.00 0.00 C ATOM 497 O ARG A 35 -5.357 5.966 -4.921 1.00 0.00 O ATOM 498 CB ARG A 35 -3.307 7.044 -6.439 1.00 0.00 C ATOM 499 CG ARG A 35 -3.704 6.714 -7.881 1.00 0.00 C ATOM 500 CD ARG A 35 -2.771 5.631 -8.431 1.00 0.00 C ATOM 501 NE ARG A 35 -3.269 5.173 -9.759 1.00 0.00 N ATOM 502 CZ ARG A 35 -2.493 4.475 -10.543 1.00 0.00 C ATOM 503 NH1 ARG A 35 -1.282 4.171 -10.163 1.00 0.00 N ATOM 504 NH2 ARG A 35 -2.929 4.077 -11.707 1.00 0.00 N ATOM 0 H ARG A 35 -2.744 8.540 -4.537 1.00 0.00 H new ATOM 0 HA ARG A 35 -4.730 8.664 -6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -2.332 7.530 -6.425 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -3.213 6.125 -5.860 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -4.738 6.371 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -3.645 7.609 -8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -1.758 6.023 -8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -2.724 4.790 -7.739 1.00 0.00 H new ATOM 0 HE ARG A 35 -4.217 5.405 -10.055 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -0.941 4.479 -9.252 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -0.677 3.626 -10.777 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -3.876 4.311 -12.004 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -2.323 3.532 -12.320 1.00 0.00 H new ATOM 518 N ARG A 36 -6.685 7.692 -5.167 1.00 0.00 N ATOM 519 CA ARG A 36 -7.843 6.917 -4.650 1.00 0.00 C ATOM 520 C ARG A 36 -8.053 5.694 -5.545 1.00 0.00 C ATOM 521 O ARG A 36 -8.928 4.884 -5.315 1.00 0.00 O ATOM 522 CB ARG A 36 -9.092 7.803 -4.673 1.00 0.00 C ATOM 523 CG ARG A 36 -9.057 8.688 -5.922 1.00 0.00 C ATOM 524 CD ARG A 36 -10.453 9.253 -6.198 1.00 0.00 C ATOM 525 NE ARG A 36 -10.849 10.168 -5.091 1.00 0.00 N ATOM 526 CZ ARG A 36 -11.844 10.998 -5.253 1.00 0.00 C ATOM 527 NH1 ARG A 36 -12.489 11.029 -6.387 1.00 0.00 N ATOM 528 NH2 ARG A 36 -12.191 11.798 -4.283 1.00 0.00 N ATOM 0 H ARG A 36 -6.887 8.657 -5.430 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.656 6.592 -3.626 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.991 7.186 -4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.131 8.421 -3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.346 9.503 -5.782 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.713 8.109 -6.779 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.458 9.790 -7.147 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -11.174 8.441 -6.288 1.00 0.00 H new ATOM 0 HE ARG A 36 -10.343 10.146 -4.206 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.216 10.405 -7.146 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.266 11.677 -6.514 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.685 11.775 -3.398 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.968 12.446 -4.410 1.00 0.00 H new ATOM 542 N GLY A 37 -7.256 5.557 -6.567 1.00 0.00 N ATOM 543 CA GLY A 37 -7.406 4.395 -7.479 1.00 0.00 C ATOM 544 C GLY A 37 -6.908 3.120 -6.793 1.00 0.00 C ATOM 545 O GLY A 37 -7.325 2.035 -7.136 1.00 0.00 O ATOM 0 H GLY A 37 -6.505 6.203 -6.809 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.452 4.279 -7.764 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.843 4.568 -8.396 1.00 0.00 H new ATOM 549 N ILE A 38 -6.005 3.231 -5.839 1.00 0.00 N ATOM 550 CA ILE A 38 -5.483 2.001 -5.146 1.00 0.00 C ATOM 551 C ILE A 38 -6.151 1.838 -3.765 1.00 0.00 C ATOM 552 O ILE A 38 -6.692 0.796 -3.451 1.00 0.00 O ATOM 553 CB ILE A 38 -3.924 2.091 -5.027 1.00 0.00 C ATOM 554 CG1 ILE A 38 -3.250 0.727 -5.341 1.00 0.00 C ATOM 555 CG2 ILE A 38 -3.459 2.566 -3.637 1.00 0.00 C ATOM 556 CD1 ILE A 38 -4.020 -0.461 -4.731 1.00 0.00 C ATOM 0 H ILE A 38 -5.610 4.113 -5.513 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.731 1.117 -5.733 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.617 2.832 -5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.183 0.598 -6.421 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.230 0.731 -4.957 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.370 2.609 -3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.866 3.557 -3.436 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.811 1.868 -2.877 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.509 -1.391 -4.979 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -4.064 -0.348 -3.648 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.032 -0.484 -5.135 1.00 0.00 H new ATOM 568 N VAL A 39 -6.073 2.835 -2.924 1.00 0.00 N ATOM 569 CA VAL A 39 -6.653 2.700 -1.554 1.00 0.00 C ATOM 570 C VAL A 39 -8.170 2.504 -1.605 1.00 0.00 C ATOM 571 O VAL A 39 -8.675 1.486 -1.189 1.00 0.00 O ATOM 572 CB VAL A 39 -6.324 3.951 -0.727 1.00 0.00 C ATOM 573 CG1 VAL A 39 -6.494 3.635 0.763 1.00 0.00 C ATOM 574 CG2 VAL A 39 -4.874 4.387 -0.999 1.00 0.00 C ATOM 0 H VAL A 39 -5.635 3.734 -3.124 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.212 1.819 -1.087 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.000 4.759 -1.008 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.261 4.522 1.352 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -7.523 3.332 0.956 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.819 2.826 1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.645 5.275 -0.410 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.194 3.582 -0.721 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -4.755 4.613 -2.059 1.00 0.00 H new ATOM 584 N GLU A 40 -8.904 3.466 -2.084 1.00 0.00 N ATOM 585 CA GLU A 40 -10.389 3.311 -2.122 1.00 0.00 C ATOM 586 C GLU A 40 -10.774 2.042 -2.884 1.00 0.00 C ATOM 587 O GLU A 40 -11.613 1.278 -2.449 1.00 0.00 O ATOM 588 CB GLU A 40 -11.017 4.521 -2.810 1.00 0.00 C ATOM 589 CG GLU A 40 -10.559 5.804 -2.111 1.00 0.00 C ATOM 590 CD GLU A 40 -11.451 6.970 -2.544 1.00 0.00 C ATOM 591 OE1 GLU A 40 -12.144 6.822 -3.537 1.00 0.00 O ATOM 592 OE2 GLU A 40 -11.425 7.990 -1.876 1.00 0.00 O ATOM 0 H GLU A 40 -8.547 4.349 -2.449 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.756 3.237 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.729 4.545 -3.861 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.104 4.446 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.607 5.678 -1.029 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.519 6.016 -2.361 1.00 0.00 H new ATOM 599 N GLN A 41 -10.182 1.814 -4.022 1.00 0.00 N ATOM 600 CA GLN A 41 -10.532 0.600 -4.811 1.00 0.00 C ATOM 601 C GLN A 41 -10.518 -0.636 -3.912 1.00 0.00 C ATOM 602 O GLN A 41 -11.487 -1.361 -3.822 1.00 0.00 O ATOM 603 CB GLN A 41 -9.518 0.411 -5.944 1.00 0.00 C ATOM 604 CG GLN A 41 -10.038 -0.643 -6.921 1.00 0.00 C ATOM 605 CD GLN A 41 -11.191 -0.064 -7.729 1.00 0.00 C ATOM 606 OE1 GLN A 41 -11.188 1.101 -8.072 1.00 0.00 O ATOM 607 NE2 GLN A 41 -12.187 -0.838 -8.046 1.00 0.00 N ATOM 0 H GLN A 41 -9.472 2.415 -4.440 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.531 0.729 -5.228 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.356 1.356 -6.463 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -8.555 0.102 -5.537 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -9.237 -0.962 -7.588 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.370 -1.527 -6.376 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -12.185 -1.816 -7.756 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.970 -0.467 -8.585 1.00 0.00 H new ATOM 616 N CYS A 42 -9.416 -0.898 -3.267 1.00 0.00 N ATOM 617 CA CYS A 42 -9.325 -2.105 -2.397 1.00 0.00 C ATOM 618 C CYS A 42 -9.873 -1.825 -0.990 1.00 0.00 C ATOM 619 O CYS A 42 -10.350 -2.720 -0.321 1.00 0.00 O ATOM 620 CB CYS A 42 -7.865 -2.533 -2.304 1.00 0.00 C ATOM 621 SG CYS A 42 -7.238 -2.881 -3.962 1.00 0.00 S ATOM 0 H CYS A 42 -8.572 -0.327 -3.304 1.00 0.00 H new ATOM 0 HA CYS A 42 -9.928 -2.899 -2.837 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.273 -1.747 -1.836 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -7.773 -3.418 -1.675 1.00 0.00 H new ATOM 626 N CYS A 43 -9.813 -0.604 -0.525 1.00 0.00 N ATOM 627 CA CYS A 43 -10.338 -0.308 0.846 1.00 0.00 C ATOM 628 C CYS A 43 -11.848 -0.096 0.773 1.00 0.00 C ATOM 629 O CYS A 43 -12.607 -0.710 1.497 1.00 0.00 O ATOM 630 CB CYS A 43 -9.671 0.951 1.417 1.00 0.00 C ATOM 631 SG CYS A 43 -10.320 1.262 3.080 1.00 0.00 S ATOM 0 H CYS A 43 -9.428 0.195 -1.028 1.00 0.00 H new ATOM 0 HA CYS A 43 -10.112 -1.150 1.500 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.590 0.820 1.454 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -9.867 1.807 0.771 1.00 0.00 H new ATOM 636 N HIS A 44 -12.293 0.768 -0.095 1.00 0.00 N ATOM 637 CA HIS A 44 -13.756 1.014 -0.211 1.00 0.00 C ATOM 638 C HIS A 44 -14.424 -0.222 -0.814 1.00 0.00 C ATOM 639 O HIS A 44 -15.587 -0.486 -0.579 1.00 0.00 O ATOM 640 CB HIS A 44 -14.006 2.228 -1.115 1.00 0.00 C ATOM 641 CG HIS A 44 -15.404 2.740 -0.898 1.00 0.00 C ATOM 642 ND1 HIS A 44 -15.657 3.963 -0.290 1.00 0.00 N ATOM 643 CD2 HIS A 44 -16.635 2.207 -1.195 1.00 0.00 C ATOM 644 CE1 HIS A 44 -16.992 4.125 -0.240 1.00 0.00 C ATOM 645 NE2 HIS A 44 -17.630 3.084 -0.778 1.00 0.00 N ATOM 0 H HIS A 44 -11.708 1.313 -0.728 1.00 0.00 H new ATOM 0 HA HIS A 44 -14.174 1.213 0.776 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -13.282 3.013 -0.895 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -13.868 1.951 -2.160 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -16.803 1.255 -1.677 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -17.485 4.988 0.182 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -18.638 2.958 -0.865 1.00 0.00 H new ATOM 653 N SER A 45 -13.694 -0.981 -1.592 1.00 0.00 N ATOM 654 CA SER A 45 -14.277 -2.209 -2.221 1.00 0.00 C ATOM 655 C SER A 45 -13.270 -3.359 -2.126 1.00 0.00 C ATOM 656 O SER A 45 -12.081 -3.147 -1.994 1.00 0.00 O ATOM 657 CB SER A 45 -14.597 -1.923 -3.691 1.00 0.00 C ATOM 658 OG SER A 45 -15.118 -0.605 -3.808 1.00 0.00 O ATOM 0 H SER A 45 -12.716 -0.804 -1.820 1.00 0.00 H new ATOM 0 HA SER A 45 -15.192 -2.488 -1.699 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.698 -2.027 -4.298 1.00 0.00 H new ATOM 0 HB3 SER A 45 -15.320 -2.647 -4.066 1.00 0.00 H new ATOM 0 HG SER A 45 -15.323 -0.417 -4.748 1.00 0.00 H new ATOM 664 N ILE A 46 -13.739 -4.574 -2.196 1.00 0.00 N ATOM 665 CA ILE A 46 -12.818 -5.738 -2.114 1.00 0.00 C ATOM 666 C ILE A 46 -12.193 -5.967 -3.494 1.00 0.00 C ATOM 667 O ILE A 46 -12.803 -6.550 -4.368 1.00 0.00 O ATOM 668 CB ILE A 46 -13.603 -6.995 -1.697 1.00 0.00 C ATOM 669 CG1 ILE A 46 -14.598 -6.678 -0.553 1.00 0.00 C ATOM 670 CG2 ILE A 46 -12.628 -8.082 -1.242 1.00 0.00 C ATOM 671 CD1 ILE A 46 -13.873 -6.510 0.795 1.00 0.00 C ATOM 0 H ILE A 46 -14.725 -4.810 -2.307 1.00 0.00 H new ATOM 0 HA ILE A 46 -12.041 -5.541 -1.376 1.00 0.00 H new ATOM 0 HB ILE A 46 -14.172 -7.345 -2.559 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -15.146 -5.766 -0.789 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -15.332 -7.480 -0.475 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -13.186 -8.971 -0.947 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.954 -8.332 -2.061 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -12.049 -7.719 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -14.602 -6.288 1.575 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -13.346 -7.432 1.042 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -13.157 -5.691 0.724 1.00 0.00 H new ATOM 683 N CYS A 47 -10.985 -5.513 -3.704 1.00 0.00 N ATOM 684 CA CYS A 47 -10.336 -5.708 -5.037 1.00 0.00 C ATOM 685 C CYS A 47 -9.573 -7.034 -5.050 1.00 0.00 C ATOM 686 O CYS A 47 -9.296 -7.615 -4.020 1.00 0.00 O ATOM 687 CB CYS A 47 -9.361 -4.559 -5.313 1.00 0.00 C ATOM 688 SG CYS A 47 -7.860 -4.767 -4.320 1.00 0.00 S ATOM 0 H CYS A 47 -10.421 -5.017 -3.014 1.00 0.00 H new ATOM 0 HA CYS A 47 -11.106 -5.723 -5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -9.105 -4.535 -6.372 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.834 -3.606 -5.077 1.00 0.00 H new ATOM 693 N SER A 48 -9.225 -7.511 -6.216 1.00 0.00 N ATOM 694 CA SER A 48 -8.471 -8.796 -6.313 1.00 0.00 C ATOM 695 C SER A 48 -6.975 -8.494 -6.426 1.00 0.00 C ATOM 696 O SER A 48 -6.573 -7.375 -6.676 1.00 0.00 O ATOM 697 CB SER A 48 -8.932 -9.567 -7.554 1.00 0.00 C ATOM 698 OG SER A 48 -9.168 -8.651 -8.616 1.00 0.00 O ATOM 0 H SER A 48 -9.431 -7.064 -7.109 1.00 0.00 H new ATOM 0 HA SER A 48 -8.657 -9.398 -5.424 1.00 0.00 H new ATOM 0 HB2 SER A 48 -8.174 -10.294 -7.847 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.841 -10.126 -7.332 1.00 0.00 H new ATOM 0 HG SER A 48 -9.461 -9.142 -9.412 1.00 0.00 H new ATOM 704 N LEU A 49 -6.153 -9.488 -6.256 1.00 0.00 N ATOM 705 CA LEU A 49 -4.686 -9.271 -6.365 1.00 0.00 C ATOM 706 C LEU A 49 -4.387 -8.722 -7.753 1.00 0.00 C ATOM 707 O LEU A 49 -3.489 -7.928 -7.950 1.00 0.00 O ATOM 708 CB LEU A 49 -3.952 -10.604 -6.178 1.00 0.00 C ATOM 709 CG LEU A 49 -4.416 -11.304 -4.888 1.00 0.00 C ATOM 710 CD1 LEU A 49 -3.424 -12.411 -4.519 1.00 0.00 C ATOM 711 CD2 LEU A 49 -4.468 -10.314 -3.726 1.00 0.00 C ATOM 0 H LEU A 49 -6.435 -10.445 -6.045 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.353 -8.571 -5.599 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -4.138 -11.251 -7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.877 -10.430 -6.137 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.409 -11.717 -5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.754 -12.906 -3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.374 -13.139 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -2.437 -11.977 -4.360 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.798 -10.829 -2.824 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -3.476 -9.894 -3.561 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.167 -9.512 -3.962 1.00 0.00 H new ATOM 723 N TYR A 50 -5.152 -9.146 -8.712 1.00 0.00 N ATOM 724 CA TYR A 50 -4.973 -8.685 -10.101 1.00 0.00 C ATOM 725 C TYR A 50 -4.768 -7.176 -10.133 1.00 0.00 C ATOM 726 O TYR A 50 -3.779 -6.675 -10.629 1.00 0.00 O ATOM 727 CB TYR A 50 -6.249 -9.043 -10.863 1.00 0.00 C ATOM 728 CG TYR A 50 -5.939 -9.189 -12.313 1.00 0.00 C ATOM 729 CD1 TYR A 50 -5.414 -10.387 -12.764 1.00 0.00 C ATOM 730 CD2 TYR A 50 -6.177 -8.137 -13.191 1.00 0.00 C ATOM 731 CE1 TYR A 50 -5.117 -10.553 -14.119 1.00 0.00 C ATOM 732 CE2 TYR A 50 -5.886 -8.289 -14.550 1.00 0.00 C ATOM 733 CZ TYR A 50 -5.354 -9.501 -15.017 1.00 0.00 C ATOM 734 OH TYR A 50 -5.064 -9.658 -16.357 1.00 0.00 O ATOM 0 H TYR A 50 -5.914 -9.812 -8.582 1.00 0.00 H new ATOM 0 HA TYR A 50 -4.099 -9.157 -10.550 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -6.668 -9.971 -10.475 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -7.001 -8.268 -10.718 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -5.234 -11.194 -12.069 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -6.585 -7.207 -12.825 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.707 -11.487 -14.474 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.070 -7.477 -15.238 1.00 0.00 H new ATOM 0 HH TYR A 50 -5.289 -8.835 -16.839 1.00 0.00 H new ATOM 744 N GLN A 51 -5.710 -6.456 -9.612 1.00 0.00 N ATOM 745 CA GLN A 51 -5.591 -4.973 -9.614 1.00 0.00 C ATOM 746 C GLN A 51 -4.356 -4.573 -8.823 1.00 0.00 C ATOM 747 O GLN A 51 -3.615 -3.692 -9.211 1.00 0.00 O ATOM 748 CB GLN A 51 -6.831 -4.346 -8.980 1.00 0.00 C ATOM 749 CG GLN A 51 -8.096 -4.951 -9.611 1.00 0.00 C ATOM 750 CD GLN A 51 -9.286 -4.010 -9.397 1.00 0.00 C ATOM 751 OE1 GLN A 51 -9.402 -3.381 -8.364 1.00 0.00 O ATOM 752 NE2 GLN A 51 -10.179 -3.885 -10.340 1.00 0.00 N ATOM 0 H GLN A 51 -6.559 -6.825 -9.184 1.00 0.00 H new ATOM 0 HA GLN A 51 -5.504 -4.619 -10.641 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -6.830 -4.521 -7.904 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -6.820 -3.266 -9.127 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -7.938 -5.116 -10.677 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -8.306 -5.924 -9.166 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -10.082 -4.413 -11.207 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -10.974 -3.259 -10.210 1.00 0.00 H new ATOM 761 N LEU A 52 -4.115 -5.224 -7.724 1.00 0.00 N ATOM 762 CA LEU A 52 -2.913 -4.883 -6.931 1.00 0.00 C ATOM 763 C LEU A 52 -1.692 -5.168 -7.791 1.00 0.00 C ATOM 764 O LEU A 52 -0.637 -4.589 -7.623 1.00 0.00 O ATOM 765 CB LEU A 52 -2.873 -5.733 -5.669 1.00 0.00 C ATOM 766 CG LEU A 52 -4.066 -5.388 -4.768 1.00 0.00 C ATOM 767 CD1 LEU A 52 -3.962 -6.212 -3.498 1.00 0.00 C ATOM 768 CD2 LEU A 52 -4.057 -3.894 -4.400 1.00 0.00 C ATOM 0 H LEU A 52 -4.695 -5.972 -7.344 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.931 -3.833 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.899 -6.791 -5.932 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.940 -5.560 -5.133 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.992 -5.609 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.803 -5.980 -2.844 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -3.980 -7.272 -3.750 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.029 -5.976 -2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.911 -3.672 -3.761 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.135 -3.656 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.118 -3.295 -5.309 1.00 0.00 H new ATOM 780 N GLU A 53 -1.848 -6.057 -8.725 1.00 0.00 N ATOM 781 CA GLU A 53 -0.731 -6.405 -9.636 1.00 0.00 C ATOM 782 C GLU A 53 -0.610 -5.291 -10.680 1.00 0.00 C ATOM 783 O GLU A 53 0.323 -5.238 -11.456 1.00 0.00 O ATOM 784 CB GLU A 53 -1.052 -7.770 -10.299 1.00 0.00 C ATOM 785 CG GLU A 53 0.166 -8.705 -10.263 1.00 0.00 C ATOM 786 CD GLU A 53 1.235 -8.195 -11.229 1.00 0.00 C ATOM 787 OE1 GLU A 53 1.039 -8.331 -12.425 1.00 0.00 O ATOM 788 OE2 GLU A 53 2.233 -7.676 -10.756 1.00 0.00 O ATOM 0 H GLU A 53 -2.716 -6.565 -8.898 1.00 0.00 H new ATOM 0 HA GLU A 53 0.216 -6.493 -9.104 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.890 -8.240 -9.783 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.362 -7.612 -11.332 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.569 -8.754 -9.252 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -0.132 -9.717 -10.536 1.00 0.00 H new ATOM 795 N ASN A 54 -1.565 -4.404 -10.693 1.00 0.00 N ATOM 796 CA ASN A 54 -1.550 -3.281 -11.668 1.00 0.00 C ATOM 797 C ASN A 54 -0.584 -2.193 -11.188 1.00 0.00 C ATOM 798 O ASN A 54 -0.047 -1.437 -11.974 1.00 0.00 O ATOM 799 CB ASN A 54 -2.975 -2.708 -11.773 1.00 0.00 C ATOM 800 CG ASN A 54 -3.183 -2.045 -13.136 1.00 0.00 C ATOM 801 OD1 ASN A 54 -2.238 -1.629 -13.776 1.00 0.00 O ATOM 802 ND2 ASN A 54 -4.394 -1.932 -13.607 1.00 0.00 N ATOM 0 H ASN A 54 -2.365 -4.411 -10.061 1.00 0.00 H new ATOM 0 HA ASN A 54 -1.219 -3.636 -12.644 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -3.706 -3.505 -11.634 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -3.141 -1.981 -10.978 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -4.549 -1.494 -14.515 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -5.186 -2.282 -13.068 1.00 0.00 H new ATOM 809 N TYR A 55 -0.371 -2.100 -9.900 1.00 0.00 N ATOM 810 CA TYR A 55 0.546 -1.052 -9.355 1.00 0.00 C ATOM 811 C TYR A 55 1.920 -1.653 -9.052 1.00 0.00 C ATOM 812 O TYR A 55 2.793 -0.986 -8.532 1.00 0.00 O ATOM 813 CB TYR A 55 -0.064 -0.487 -8.073 1.00 0.00 C ATOM 814 CG TYR A 55 -1.518 -0.189 -8.318 1.00 0.00 C ATOM 815 CD1 TYR A 55 -2.465 -1.192 -8.132 1.00 0.00 C ATOM 816 CD2 TYR A 55 -1.913 1.079 -8.741 1.00 0.00 C ATOM 817 CE1 TYR A 55 -3.824 -0.932 -8.366 1.00 0.00 C ATOM 818 CE2 TYR A 55 -3.267 1.347 -8.979 1.00 0.00 C ATOM 819 CZ TYR A 55 -4.223 0.341 -8.791 1.00 0.00 C ATOM 820 OH TYR A 55 -5.557 0.604 -9.027 1.00 0.00 O ATOM 0 H TYR A 55 -0.795 -2.708 -9.199 1.00 0.00 H new ATOM 0 HA TYR A 55 0.671 -0.259 -10.092 1.00 0.00 H new ATOM 0 HB2 TYR A 55 0.042 -1.202 -7.257 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.462 0.419 -7.773 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -2.153 -2.173 -7.807 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.175 1.855 -8.885 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -4.559 -1.710 -8.219 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -3.574 2.329 -9.307 1.00 0.00 H new ATOM 0 HH TYR A 55 -5.932 1.100 -8.269 1.00 0.00 H new ATOM 830 N CYS A 56 2.132 -2.903 -9.374 1.00 0.00 N ATOM 831 CA CYS A 56 3.462 -3.520 -9.101 1.00 0.00 C ATOM 832 C CYS A 56 4.428 -3.164 -10.232 1.00 0.00 C ATOM 833 O CYS A 56 4.282 -3.617 -11.350 1.00 0.00 O ATOM 834 CB CYS A 56 3.320 -5.038 -9.020 1.00 0.00 C ATOM 835 SG CYS A 56 2.237 -5.478 -7.640 1.00 0.00 S ATOM 0 H CYS A 56 1.446 -3.519 -9.811 1.00 0.00 H new ATOM 0 HA CYS A 56 3.847 -3.141 -8.154 1.00 0.00 H new ATOM 0 HB2 CYS A 56 2.911 -5.425 -9.953 1.00 0.00 H new ATOM 0 HB3 CYS A 56 4.299 -5.498 -8.887 1.00 0.00 H new ATOM 840 N ASN A 57 5.413 -2.356 -9.954 1.00 0.00 N ATOM 841 CA ASN A 57 6.385 -1.975 -11.018 1.00 0.00 C ATOM 842 C ASN A 57 5.622 -1.488 -12.252 1.00 0.00 C ATOM 843 O ASN A 57 5.381 -0.296 -12.344 1.00 0.00 O ATOM 844 CB ASN A 57 7.236 -3.191 -11.390 1.00 0.00 C ATOM 845 CG ASN A 57 8.131 -2.846 -12.583 1.00 0.00 C ATOM 846 OD1 ASN A 57 9.397 -2.600 -12.385 1.00 0.00 O flip ATOM 847 ND2 ASN A 57 7.673 -2.800 -13.707 1.00 0.00 N flip ATOM 848 OXT ASN A 57 5.291 -2.317 -13.085 1.00 0.00 O ATOM 0 H ASN A 57 5.587 -1.943 -9.038 1.00 0.00 H new ATOM 0 HA ASN A 57 7.032 -1.178 -10.652 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.847 -3.494 -10.540 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.593 -4.036 -11.637 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.683 -2.992 -13.863 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.278 -2.569 -14.495 1.00 0.00 H new TER 855 ASN A 57