USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 424 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 105 THR OG1 : rot 174:sc= -0.354 USER MOD Set 1.2: A 107 GLN : amide:sc= -2.36 K(o=-2.7,f=-7.8!) USER MOD Single : A 70 HIS : no HE2:sc= -5.84! C(o=-5.8!,f=-5.8!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.0856 USER MOD Single : A 72 TYR OH : rot 68:sc= -0.611! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.214 X(o=-0.21,f=0) USER MOD Single : A 93 GLN : amide:sc=-0.000741 K(o=-0.00074,f=-2.2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0333 USER MOD Single : A 99 LYS NZ :NH3+ -134:sc= -2.54 (180deg=-7.01!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.0899 USER MOD Single : A 104 THR OG1 : rot 126:sc= 0.288 USER MOD Single : A 114 ASN : amide:sc= -0.609 K(o=-0.61,f=-4!) USER MOD Single : A 118 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 65 1.019 3.829 10.743 1.00 0.00 N ATOM 16 CA LEU A 65 0.162 4.593 9.861 1.00 0.00 C ATOM 17 C LEU A 65 0.955 5.390 8.849 1.00 0.00 C ATOM 18 O LEU A 65 2.019 5.937 9.139 1.00 0.00 O ATOM 19 CB LEU A 65 -0.753 5.526 10.645 1.00 0.00 C ATOM 20 CG LEU A 65 -1.488 6.551 9.798 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.326 5.851 8.744 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.351 7.453 10.667 1.00 0.00 C ATOM 0 HA LEU A 65 -0.449 3.869 9.322 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.487 4.926 11.183 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.159 6.051 11.393 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.752 7.179 9.296 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.849 6.594 8.142 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.678 5.254 8.102 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.053 5.201 9.230 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.867 8.178 10.038 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.084 6.850 11.202 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.721 7.978 11.385 1.00 0.00 H new ATOM 34 N VAL A 66 0.405 5.434 7.657 1.00 0.00 N ATOM 35 CA VAL A 66 1.004 6.145 6.545 1.00 0.00 C ATOM 36 C VAL A 66 0.035 7.142 5.922 1.00 0.00 C ATOM 37 O VAL A 66 -1.096 7.302 6.377 1.00 0.00 O ATOM 38 CB VAL A 66 1.445 5.167 5.457 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.763 4.513 5.828 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.369 4.120 5.202 1.00 0.00 C ATOM 0 H VAL A 66 -0.477 4.975 7.428 1.00 0.00 H new ATOM 0 HA VAL A 66 1.864 6.683 6.945 1.00 0.00 H new ATOM 0 HB VAL A 66 1.593 5.727 4.534 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.060 3.820 5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.529 5.279 5.945 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.648 3.969 6.766 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.705 3.435 4.424 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.179 3.562 6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.549 4.612 4.880 1.00 0.00 H new ATOM 50 N ILE A 67 0.490 7.800 4.867 1.00 0.00 N ATOM 51 CA ILE A 67 -0.326 8.769 4.161 1.00 0.00 C ATOM 52 C ILE A 67 -0.043 8.721 2.665 1.00 0.00 C ATOM 53 O ILE A 67 1.103 8.821 2.230 1.00 0.00 O ATOM 54 CB ILE A 67 -0.131 10.200 4.720 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.384 10.594 5.490 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.152 11.206 3.611 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.446 12.048 5.904 1.00 0.00 C ATOM 0 H ILE A 67 1.426 7.678 4.481 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.370 8.501 4.321 1.00 0.00 H new ATOM 0 HB ILE A 67 0.735 10.206 5.382 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.256 10.369 4.876 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.454 9.974 6.383 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.283 12.198 4.044 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.061 10.918 3.082 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.685 11.222 2.913 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.374 12.233 6.446 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.597 12.280 6.548 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.412 12.681 5.017 1.00 0.00 H new ATOM 69 N ALA A 68 -1.103 8.549 1.890 1.00 0.00 N ATOM 70 CA ALA A 68 -0.988 8.460 0.438 1.00 0.00 C ATOM 71 C ALA A 68 -0.437 9.744 -0.172 1.00 0.00 C ATOM 72 O ALA A 68 -0.618 10.835 0.369 1.00 0.00 O ATOM 73 CB ALA A 68 -2.336 8.119 -0.179 1.00 0.00 C ATOM 0 H ALA A 68 -2.057 8.468 2.242 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.279 7.662 0.216 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.235 8.056 -1.262 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.682 7.161 0.209 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.058 8.895 0.073 1.00 0.00 H new ATOM 79 N LEU A 69 0.231 9.595 -1.310 1.00 0.00 N ATOM 80 CA LEU A 69 0.812 10.725 -2.025 1.00 0.00 C ATOM 81 C LEU A 69 0.222 10.839 -3.429 1.00 0.00 C ATOM 82 O LEU A 69 0.751 11.558 -4.277 1.00 0.00 O ATOM 83 CB LEU A 69 2.329 10.557 -2.119 1.00 0.00 C ATOM 84 CG LEU A 69 3.077 10.691 -0.789 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.571 10.450 -0.974 1.00 0.00 C ATOM 86 CD2 LEU A 69 2.833 12.065 -0.186 1.00 0.00 C ATOM 0 H LEU A 69 0.385 8.693 -1.761 1.00 0.00 H new ATOM 0 HA LEU A 69 0.579 11.636 -1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.546 9.577 -2.544 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.720 11.299 -2.815 1.00 0.00 H new ATOM 0 HG LEU A 69 2.695 9.932 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.077 10.551 -0.014 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.732 9.445 -1.365 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.973 11.181 -1.675 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.370 12.148 0.759 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.188 12.832 -0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.766 12.201 -0.010 1.00 0.00 H new ATOM 98 N HIS A 70 -0.867 10.112 -3.675 1.00 0.00 N ATOM 99 CA HIS A 70 -1.516 10.119 -4.981 1.00 0.00 C ATOM 100 C HIS A 70 -2.879 9.437 -4.910 1.00 0.00 C ATOM 101 O HIS A 70 -3.045 8.434 -4.217 1.00 0.00 O ATOM 102 CB HIS A 70 -0.638 9.413 -6.032 1.00 0.00 C ATOM 103 CG HIS A 70 0.554 8.688 -5.467 1.00 0.00 C ATOM 104 ND1 HIS A 70 1.757 8.592 -6.131 1.00 0.00 N ATOM 105 CD2 HIS A 70 0.725 8.032 -4.294 1.00 0.00 C ATOM 106 CE1 HIS A 70 2.615 7.912 -5.393 1.00 0.00 C ATOM 107 NE2 HIS A 70 2.015 7.560 -4.271 1.00 0.00 N ATOM 0 H HIS A 70 -1.317 9.511 -2.985 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.655 11.159 -5.278 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.253 8.700 -6.581 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.289 10.154 -6.752 1.00 0.00 H new ATOM 0 HD1 HIS A 70 1.955 8.986 -7.051 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -0.017 7.904 -3.519 1.00 0.00 H new ATOM 0 HE1 HIS A 70 3.636 7.682 -5.662 1.00 0.00 H new ATOM 116 N SER A 71 -3.853 9.982 -5.634 1.00 0.00 N ATOM 117 CA SER A 71 -5.197 9.414 -5.653 1.00 0.00 C ATOM 118 C SER A 71 -5.157 7.968 -6.131 1.00 0.00 C ATOM 119 O SER A 71 -4.637 7.676 -7.208 1.00 0.00 O ATOM 120 CB SER A 71 -6.114 10.236 -6.560 1.00 0.00 C ATOM 121 OG SER A 71 -5.643 11.564 -6.696 1.00 0.00 O ATOM 0 H SER A 71 -3.737 10.813 -6.213 1.00 0.00 H new ATOM 0 HA SER A 71 -5.592 9.440 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.175 9.767 -7.542 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.123 10.246 -6.148 1.00 0.00 H new ATOM 0 HG SER A 71 -6.247 12.067 -7.282 1.00 0.00 H new ATOM 127 N TYR A 72 -5.691 7.063 -5.320 1.00 0.00 N ATOM 128 CA TYR A 72 -5.692 5.644 -5.670 1.00 0.00 C ATOM 129 C TYR A 72 -7.057 5.153 -6.138 1.00 0.00 C ATOM 130 O TYR A 72 -8.098 5.601 -5.656 1.00 0.00 O ATOM 131 CB TYR A 72 -5.242 4.788 -4.485 1.00 0.00 C ATOM 132 CG TYR A 72 -4.980 3.346 -4.858 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.175 3.021 -5.944 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.544 2.309 -4.128 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.944 1.703 -6.289 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.317 0.990 -4.468 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.517 0.694 -5.549 1.00 0.00 C ATOM 138 OH TYR A 72 -4.293 -0.618 -5.892 1.00 0.00 O ATOM 0 H TYR A 72 -6.126 7.281 -4.423 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.990 5.540 -6.497 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.335 5.217 -4.059 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -6.006 4.823 -3.709 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.724 3.810 -6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.171 2.538 -3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.317 1.466 -7.136 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.764 0.195 -3.889 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.353 -0.843 -5.729 1.00 0.00 H new ATOM 148 N GLU A 73 -7.028 4.206 -7.071 1.00 0.00 N ATOM 149 CA GLU A 73 -8.230 3.608 -7.614 1.00 0.00 C ATOM 150 C GLU A 73 -8.051 2.093 -7.732 1.00 0.00 C ATOM 151 O GLU A 73 -7.508 1.593 -8.718 1.00 0.00 O ATOM 152 CB GLU A 73 -8.540 4.206 -8.969 1.00 0.00 C ATOM 153 CG GLU A 73 -9.850 4.968 -9.003 1.00 0.00 C ATOM 154 CD GLU A 73 -10.000 5.817 -10.251 1.00 0.00 C ATOM 155 OE1 GLU A 73 -8.967 6.173 -10.855 1.00 0.00 O ATOM 156 OE2 GLU A 73 -11.152 6.125 -10.624 1.00 0.00 O ATOM 0 H GLU A 73 -6.165 3.835 -7.469 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.064 3.813 -6.942 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.730 4.877 -9.256 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.572 3.409 -9.711 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.678 4.262 -8.947 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.917 5.608 -8.123 1.00 0.00 H new ATOM 163 N PRO A 74 -8.497 1.353 -6.709 1.00 0.00 N ATOM 164 CA PRO A 74 -8.399 -0.102 -6.642 1.00 0.00 C ATOM 165 C PRO A 74 -8.610 -0.785 -7.989 1.00 0.00 C ATOM 166 O PRO A 74 -9.622 -0.572 -8.658 1.00 0.00 O ATOM 167 CB PRO A 74 -9.514 -0.490 -5.653 1.00 0.00 C ATOM 168 CG PRO A 74 -10.114 0.797 -5.170 1.00 0.00 C ATOM 169 CD PRO A 74 -9.136 1.882 -5.518 1.00 0.00 C ATOM 0 HA PRO A 74 -7.403 -0.420 -6.334 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.266 -1.111 -6.139 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.112 -1.068 -4.821 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -11.078 0.977 -5.645 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.289 0.763 -4.095 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.634 2.832 -5.712 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.419 2.056 -4.715 1.00 0.00 H new ATOM 177 N SER A 75 -7.645 -1.613 -8.374 1.00 0.00 N ATOM 178 CA SER A 75 -7.710 -2.342 -9.634 1.00 0.00 C ATOM 179 C SER A 75 -7.581 -3.844 -9.395 1.00 0.00 C ATOM 180 O SER A 75 -8.274 -4.644 -10.024 1.00 0.00 O ATOM 181 CB SER A 75 -6.607 -1.868 -10.581 1.00 0.00 C ATOM 182 OG SER A 75 -7.062 -1.841 -11.923 1.00 0.00 O ATOM 0 H SER A 75 -6.804 -1.796 -7.827 1.00 0.00 H new ATOM 0 HA SER A 75 -8.679 -2.144 -10.092 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.274 -0.873 -10.287 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.745 -2.530 -10.500 1.00 0.00 H new ATOM 0 HG SER A 75 -6.338 -1.533 -12.508 1.00 0.00 H new ATOM 188 N HIS A 76 -6.692 -4.219 -8.480 1.00 0.00 N ATOM 189 CA HIS A 76 -6.474 -5.624 -8.154 1.00 0.00 C ATOM 190 C HIS A 76 -7.557 -6.132 -7.207 1.00 0.00 C ATOM 191 O HIS A 76 -8.319 -5.347 -6.642 1.00 0.00 O ATOM 192 CB HIS A 76 -5.093 -5.818 -7.522 1.00 0.00 C ATOM 193 CG HIS A 76 -4.020 -6.139 -8.516 1.00 0.00 C ATOM 194 ND1 HIS A 76 -3.293 -5.172 -9.179 1.00 0.00 N ATOM 195 CD2 HIS A 76 -3.551 -7.329 -8.961 1.00 0.00 C ATOM 196 CE1 HIS A 76 -2.426 -5.753 -9.988 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.561 -7.062 -9.874 1.00 0.00 N ATOM 0 H HIS A 76 -6.111 -3.569 -7.951 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.523 -6.199 -9.079 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.818 -4.911 -6.983 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.148 -6.621 -6.787 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -3.892 -8.307 -8.655 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -1.725 -5.244 -10.633 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.018 -7.761 -10.382 1.00 0.00 H new ATOM 206 N ASP A 77 -7.620 -7.449 -7.036 1.00 0.00 N ATOM 207 CA ASP A 77 -8.611 -8.060 -6.156 1.00 0.00 C ATOM 208 C ASP A 77 -8.242 -7.847 -4.691 1.00 0.00 C ATOM 209 O ASP A 77 -7.068 -7.888 -4.325 1.00 0.00 O ATOM 210 CB ASP A 77 -8.735 -9.555 -6.451 1.00 0.00 C ATOM 211 CG ASP A 77 -9.395 -9.829 -7.788 1.00 0.00 C ATOM 212 OD1 ASP A 77 -9.109 -9.091 -8.754 1.00 0.00 O ATOM 213 OD2 ASP A 77 -10.200 -10.781 -7.868 1.00 0.00 O ATOM 0 H ASP A 77 -6.997 -8.114 -7.495 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.571 -7.580 -6.344 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.744 -10.008 -6.439 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.313 -10.032 -5.659 1.00 0.00 H new ATOM 218 N GLY A 78 -9.252 -7.619 -3.857 1.00 0.00 N ATOM 219 CA GLY A 78 -9.011 -7.403 -2.442 1.00 0.00 C ATOM 220 C GLY A 78 -8.136 -6.195 -2.183 1.00 0.00 C ATOM 221 O GLY A 78 -7.245 -6.239 -1.336 1.00 0.00 O ATOM 0 H GLY A 78 -10.232 -7.580 -4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.964 -7.274 -1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.538 -8.289 -2.018 1.00 0.00 H new ATOM 225 N ASP A 79 -8.388 -5.113 -2.913 1.00 0.00 N ATOM 226 CA ASP A 79 -7.612 -3.890 -2.754 1.00 0.00 C ATOM 227 C ASP A 79 -8.432 -2.801 -2.074 1.00 0.00 C ATOM 228 O ASP A 79 -9.661 -2.800 -2.135 1.00 0.00 O ATOM 229 CB ASP A 79 -7.116 -3.394 -4.112 1.00 0.00 C ATOM 230 CG ASP A 79 -6.099 -4.332 -4.729 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.386 -5.544 -4.817 1.00 0.00 O ATOM 232 OD2 ASP A 79 -5.016 -3.854 -5.121 1.00 0.00 O ATOM 0 H ASP A 79 -9.122 -5.059 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.755 -4.120 -2.121 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.964 -3.285 -4.788 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.672 -2.405 -3.995 1.00 0.00 H new ATOM 237 N LEU A 80 -7.736 -1.873 -1.434 1.00 0.00 N ATOM 238 CA LEU A 80 -8.379 -0.766 -0.743 1.00 0.00 C ATOM 239 C LEU A 80 -8.096 0.542 -1.474 1.00 0.00 C ATOM 240 O LEU A 80 -6.952 0.832 -1.824 1.00 0.00 O ATOM 241 CB LEU A 80 -7.885 -0.690 0.710 1.00 0.00 C ATOM 242 CG LEU A 80 -7.943 0.693 1.363 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.384 1.122 1.591 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.172 0.692 2.674 1.00 0.00 C ATOM 0 H LEU A 80 -6.718 -1.866 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.456 -0.932 -0.733 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.477 -1.380 1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.854 -1.043 0.742 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.478 1.411 0.687 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.401 2.108 2.056 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.907 1.162 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.878 0.404 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.222 1.682 3.126 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.610 -0.040 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.131 0.433 2.483 1.00 0.00 H new ATOM 256 N GLY A 81 -9.140 1.330 -1.700 1.00 0.00 N ATOM 257 CA GLY A 81 -8.969 2.594 -2.386 1.00 0.00 C ATOM 258 C GLY A 81 -8.869 3.760 -1.431 1.00 0.00 C ATOM 259 O GLY A 81 -9.539 3.790 -0.399 1.00 0.00 O ATOM 0 H GLY A 81 -10.098 1.117 -1.421 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -8.069 2.552 -2.999 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.809 2.753 -3.063 1.00 0.00 H new ATOM 263 N PHE A 82 -8.024 4.718 -1.777 1.00 0.00 N ATOM 264 CA PHE A 82 -7.823 5.895 -0.948 1.00 0.00 C ATOM 265 C PHE A 82 -7.541 7.114 -1.807 1.00 0.00 C ATOM 266 O PHE A 82 -7.435 7.017 -3.030 1.00 0.00 O ATOM 267 CB PHE A 82 -6.666 5.678 0.029 1.00 0.00 C ATOM 268 CG PHE A 82 -5.515 4.896 -0.547 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.661 3.556 -0.870 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.286 5.500 -0.764 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.606 2.837 -1.399 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.226 4.782 -1.293 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.390 3.451 -1.610 1.00 0.00 C ATOM 0 H PHE A 82 -7.464 4.703 -2.630 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.739 6.064 -0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.300 6.649 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.041 5.157 0.910 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.610 3.068 -0.706 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.153 6.543 -0.518 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.734 1.794 -1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.274 5.264 -1.457 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.566 2.889 -2.024 1.00 0.00 H new ATOM 283 N GLU A 83 -7.421 8.260 -1.158 1.00 0.00 N ATOM 284 CA GLU A 83 -7.151 9.501 -1.860 1.00 0.00 C ATOM 285 C GLU A 83 -5.731 9.977 -1.583 1.00 0.00 C ATOM 286 O GLU A 83 -5.016 9.391 -0.771 1.00 0.00 O ATOM 287 CB GLU A 83 -8.155 10.564 -1.422 1.00 0.00 C ATOM 288 CG GLU A 83 -9.216 10.862 -2.466 1.00 0.00 C ATOM 289 CD GLU A 83 -9.432 12.348 -2.675 1.00 0.00 C ATOM 290 OE1 GLU A 83 -9.868 13.024 -1.720 1.00 0.00 O ATOM 291 OE2 GLU A 83 -9.164 12.836 -3.793 1.00 0.00 O ATOM 0 H GLU A 83 -7.506 8.356 -0.146 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.251 9.328 -2.932 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.642 10.236 -0.504 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.619 11.484 -1.187 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.927 10.405 -3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.157 10.402 -2.164 1.00 0.00 H new ATOM 298 N LYS A 84 -5.329 11.051 -2.248 1.00 0.00 N ATOM 299 CA LYS A 84 -4.000 11.605 -2.043 1.00 0.00 C ATOM 300 C LYS A 84 -3.958 12.294 -0.683 1.00 0.00 C ATOM 301 O LYS A 84 -4.865 13.046 -0.328 1.00 0.00 O ATOM 302 CB LYS A 84 -3.646 12.570 -3.175 1.00 0.00 C ATOM 303 CG LYS A 84 -2.508 13.530 -2.847 1.00 0.00 C ATOM 304 CD LYS A 84 -2.580 14.786 -3.694 1.00 0.00 C ATOM 305 CE LYS A 84 -1.255 15.072 -4.386 1.00 0.00 C ATOM 306 NZ LYS A 84 -0.444 16.074 -3.639 1.00 0.00 N ATOM 0 H LYS A 84 -5.900 11.552 -2.929 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.257 10.808 -2.055 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.375 11.992 -4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.532 13.150 -3.433 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.550 13.799 -1.791 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.552 13.033 -3.012 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.365 14.677 -4.442 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -2.854 15.634 -3.066 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.689 14.146 -4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.444 15.437 -5.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.451 16.241 -4.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.974 16.966 -3.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -0.242 15.715 -2.684 1.00 0.00 H new ATOM 320 N GLY A 85 -2.923 11.998 0.091 1.00 0.00 N ATOM 321 CA GLY A 85 -2.809 12.564 1.425 1.00 0.00 C ATOM 322 C GLY A 85 -3.641 11.790 2.430 1.00 0.00 C ATOM 323 O GLY A 85 -3.501 11.979 3.638 1.00 0.00 O ATOM 0 H GLY A 85 -2.160 11.377 -0.178 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.764 12.559 1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.132 13.605 1.409 1.00 0.00 H new ATOM 327 N GLU A 86 -4.500 10.900 1.928 1.00 0.00 N ATOM 328 CA GLU A 86 -5.340 10.077 2.780 1.00 0.00 C ATOM 329 C GLU A 86 -4.475 9.280 3.736 1.00 0.00 C ATOM 330 O GLU A 86 -3.266 9.175 3.546 1.00 0.00 O ATOM 331 CB GLU A 86 -6.172 9.119 1.922 1.00 0.00 C ATOM 332 CG GLU A 86 -7.597 8.865 2.401 1.00 0.00 C ATOM 333 CD GLU A 86 -8.010 9.693 3.605 1.00 0.00 C ATOM 334 OE1 GLU A 86 -7.799 9.231 4.745 1.00 0.00 O ATOM 335 OE2 GLU A 86 -8.544 10.806 3.405 1.00 0.00 O ATOM 0 H GLU A 86 -4.627 10.736 0.929 1.00 0.00 H new ATOM 0 HA GLU A 86 -6.009 10.722 3.350 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.215 9.515 0.907 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.651 8.163 1.869 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.285 9.070 1.581 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.702 7.809 2.648 1.00 0.00 H new ATOM 342 N GLN A 87 -5.095 8.714 4.754 1.00 0.00 N ATOM 343 CA GLN A 87 -4.362 7.926 5.729 1.00 0.00 C ATOM 344 C GLN A 87 -4.921 6.520 5.829 1.00 0.00 C ATOM 345 O GLN A 87 -6.122 6.294 5.677 1.00 0.00 O ATOM 346 CB GLN A 87 -4.378 8.597 7.099 1.00 0.00 C ATOM 347 CG GLN A 87 -4.142 10.093 7.037 1.00 0.00 C ATOM 348 CD GLN A 87 -5.002 10.863 8.021 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.544 11.918 7.696 1.00 0.00 O ATOM 350 NE2 GLN A 87 -5.131 10.335 9.233 1.00 0.00 N ATOM 0 H GLN A 87 -6.098 8.784 4.928 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.329 7.861 5.387 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.339 8.407 7.577 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.613 8.141 7.728 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.091 10.300 7.240 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.347 10.447 6.027 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.663 9.457 9.459 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.698 10.807 9.937 1.00 0.00 H new ATOM 359 N LEU A 88 -4.027 5.586 6.086 1.00 0.00 N ATOM 360 CA LEU A 88 -4.384 4.182 6.214 1.00 0.00 C ATOM 361 C LEU A 88 -3.490 3.505 7.227 1.00 0.00 C ATOM 362 O LEU A 88 -2.264 3.574 7.134 1.00 0.00 O ATOM 363 CB LEU A 88 -4.253 3.444 4.882 1.00 0.00 C ATOM 364 CG LEU A 88 -4.459 4.287 3.627 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.374 3.981 2.608 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.837 4.024 3.047 1.00 0.00 C ATOM 0 H LEU A 88 -3.033 5.776 6.212 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.423 4.143 6.540 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.261 2.994 4.835 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.975 2.627 4.869 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.392 5.343 3.889 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.531 4.588 1.716 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.398 4.210 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.414 2.925 2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.976 4.629 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.928 2.969 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.597 4.285 3.783 1.00 0.00 H new ATOM 378 N ARG A 89 -4.103 2.832 8.175 1.00 0.00 N ATOM 379 CA ARG A 89 -3.363 2.124 9.185 1.00 0.00 C ATOM 380 C ARG A 89 -2.885 0.798 8.610 1.00 0.00 C ATOM 381 O ARG A 89 -3.661 -0.141 8.439 1.00 0.00 O ATOM 382 CB ARG A 89 -4.236 1.916 10.412 1.00 0.00 C ATOM 383 CG ARG A 89 -3.656 0.920 11.377 1.00 0.00 C ATOM 384 CD ARG A 89 -4.475 0.845 12.646 1.00 0.00 C ATOM 385 NE ARG A 89 -3.715 0.275 13.754 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.268 -0.322 14.808 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.588 -0.424 14.908 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.498 -0.816 15.768 1.00 0.00 N ATOM 0 H ARG A 89 -5.117 2.762 8.264 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.492 2.704 9.492 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.373 2.870 10.921 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.223 1.578 10.097 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.616 -0.063 10.908 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.631 1.199 11.619 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.817 1.844 12.917 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.365 0.241 12.468 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.698 0.338 13.719 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.186 -0.044 14.174 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.004 -0.883 15.718 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.483 -0.738 15.699 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.920 -1.274 16.576 1.00 0.00 H new ATOM 402 N ILE A 90 -1.605 0.751 8.285 1.00 0.00 N ATOM 403 CA ILE A 90 -1.004 -0.432 7.689 1.00 0.00 C ATOM 404 C ILE A 90 -1.126 -1.651 8.585 1.00 0.00 C ATOM 405 O ILE A 90 -0.494 -1.740 9.638 1.00 0.00 O ATOM 406 CB ILE A 90 0.480 -0.197 7.337 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.641 1.105 6.555 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.031 -1.359 6.529 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.050 1.096 5.208 1.00 0.00 C ATOM 0 H ILE A 90 -0.956 1.525 8.425 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.560 -0.625 6.772 1.00 0.00 H new ATOM 0 HB ILE A 90 1.043 -0.123 8.268 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.245 1.927 7.151 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.703 1.301 6.407 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.078 -1.173 6.292 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.948 -2.278 7.110 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.462 -1.462 5.605 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.108 2.053 4.711 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.362 0.296 4.593 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.118 0.932 5.348 1.00 0.00 H new ATOM 421 N LEU A 91 -1.932 -2.598 8.132 1.00 0.00 N ATOM 422 CA LEU A 91 -2.145 -3.842 8.843 1.00 0.00 C ATOM 423 C LEU A 91 -0.975 -4.767 8.571 1.00 0.00 C ATOM 424 O LEU A 91 -0.381 -5.340 9.484 1.00 0.00 O ATOM 425 CB LEU A 91 -3.447 -4.478 8.365 1.00 0.00 C ATOM 426 CG LEU A 91 -4.622 -3.501 8.276 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.876 -4.183 7.757 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.882 -2.854 9.629 1.00 0.00 C ATOM 0 H LEU A 91 -2.456 -2.523 7.260 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.216 -3.659 9.915 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.283 -4.923 7.384 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.713 -5.289 9.043 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.353 -2.721 7.563 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.690 -3.459 7.707 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.686 -4.585 6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.153 -4.995 8.429 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.721 -2.163 9.547 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.118 -3.625 10.362 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -3.993 -2.310 9.949 1.00 0.00 H new ATOM 440 N GLU A 92 -0.637 -4.872 7.296 1.00 0.00 N ATOM 441 CA GLU A 92 0.479 -5.684 6.858 1.00 0.00 C ATOM 442 C GLU A 92 1.232 -4.970 5.748 1.00 0.00 C ATOM 443 O GLU A 92 0.628 -4.387 4.852 1.00 0.00 O ATOM 444 CB GLU A 92 0.012 -7.059 6.398 1.00 0.00 C ATOM 445 CG GLU A 92 0.595 -8.177 7.236 1.00 0.00 C ATOM 446 CD GLU A 92 -0.459 -8.944 8.011 1.00 0.00 C ATOM 447 OE1 GLU A 92 -0.961 -8.406 9.021 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.784 -10.080 7.607 1.00 0.00 O ATOM 0 H GLU A 92 -1.129 -4.397 6.540 1.00 0.00 H new ATOM 0 HA GLU A 92 1.152 -5.832 7.703 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.076 -7.104 6.443 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.294 -7.205 5.355 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.136 -8.866 6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.321 -7.760 7.934 1.00 0.00 H new ATOM 455 N GLN A 93 2.551 -4.995 5.827 1.00 0.00 N ATOM 456 CA GLN A 93 3.379 -4.323 4.839 1.00 0.00 C ATOM 457 C GLN A 93 4.364 -5.285 4.196 1.00 0.00 C ATOM 458 O GLN A 93 5.494 -4.916 3.873 1.00 0.00 O ATOM 459 CB GLN A 93 4.113 -3.157 5.484 1.00 0.00 C ATOM 460 CG GLN A 93 4.449 -3.416 6.922 1.00 0.00 C ATOM 461 CD GLN A 93 4.975 -2.191 7.643 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.328 -1.144 7.665 1.00 0.00 O ATOM 463 NE2 GLN A 93 6.156 -2.316 8.238 1.00 0.00 N ATOM 0 H GLN A 93 3.071 -5.472 6.563 1.00 0.00 H new ATOM 0 HA GLN A 93 2.729 -3.942 4.051 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.030 -2.958 4.930 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.497 -2.260 5.414 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.559 -3.778 7.437 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.194 -4.210 6.977 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.658 -3.203 8.194 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.561 -1.525 8.739 1.00 0.00 H new ATOM 472 N SER A 94 3.919 -6.517 4.000 1.00 0.00 N ATOM 473 CA SER A 94 4.747 -7.537 3.380 1.00 0.00 C ATOM 474 C SER A 94 4.423 -7.636 1.895 1.00 0.00 C ATOM 475 O SER A 94 3.276 -7.872 1.515 1.00 0.00 O ATOM 476 CB SER A 94 4.532 -8.891 4.059 1.00 0.00 C ATOM 477 OG SER A 94 3.466 -8.834 4.991 1.00 0.00 O ATOM 0 H SER A 94 2.986 -6.834 4.263 1.00 0.00 H new ATOM 0 HA SER A 94 5.793 -7.256 3.498 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.319 -9.649 3.305 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.447 -9.195 4.567 1.00 0.00 H new ATOM 0 HG SER A 94 3.349 -9.713 5.409 1.00 0.00 H new ATOM 483 N GLY A 95 5.434 -7.444 1.061 1.00 0.00 N ATOM 484 CA GLY A 95 5.227 -7.505 -0.373 1.00 0.00 C ATOM 485 C GLY A 95 4.925 -6.158 -0.976 1.00 0.00 C ATOM 486 O GLY A 95 4.507 -5.229 -0.285 1.00 0.00 O ATOM 0 H GLY A 95 6.392 -7.247 1.350 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.117 -7.919 -0.847 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.405 -8.187 -0.588 1.00 0.00 H new ATOM 490 N GLU A 96 5.135 -6.062 -2.281 1.00 0.00 N ATOM 491 CA GLU A 96 4.888 -4.836 -3.020 1.00 0.00 C ATOM 492 C GLU A 96 3.495 -4.270 -2.715 1.00 0.00 C ATOM 493 O GLU A 96 3.237 -3.090 -2.941 1.00 0.00 O ATOM 494 CB GLU A 96 5.049 -5.112 -4.511 1.00 0.00 C ATOM 495 CG GLU A 96 4.095 -4.324 -5.359 1.00 0.00 C ATOM 496 CD GLU A 96 4.362 -4.465 -6.845 1.00 0.00 C ATOM 497 OE1 GLU A 96 5.282 -3.788 -7.350 1.00 0.00 O ATOM 498 OE2 GLU A 96 3.652 -5.254 -7.503 1.00 0.00 O ATOM 0 H GLU A 96 5.481 -6.831 -2.855 1.00 0.00 H new ATOM 0 HA GLU A 96 5.613 -4.084 -2.710 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.071 -4.878 -4.810 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.898 -6.175 -4.696 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.076 -4.649 -5.147 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.158 -3.271 -5.083 1.00 0.00 H new ATOM 505 N TRP A 97 2.601 -5.112 -2.209 1.00 0.00 N ATOM 506 CA TRP A 97 1.251 -4.677 -1.880 1.00 0.00 C ATOM 507 C TRP A 97 1.021 -4.738 -0.372 1.00 0.00 C ATOM 508 O TRP A 97 0.996 -5.818 0.219 1.00 0.00 O ATOM 509 CB TRP A 97 0.232 -5.543 -2.615 1.00 0.00 C ATOM 510 CG TRP A 97 0.088 -5.167 -4.057 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.836 -5.623 -5.103 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.852 -4.240 -4.610 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.422 -5.031 -6.273 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.614 -4.179 -5.996 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.873 -3.456 -4.068 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.358 -3.362 -6.844 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.609 -2.647 -4.908 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.349 -2.604 -6.282 1.00 0.00 C ATOM 0 H TRP A 97 2.787 -6.097 -2.019 1.00 0.00 H new ATOM 0 HA TRP A 97 1.127 -3.642 -2.200 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.532 -6.589 -2.545 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.736 -5.455 -2.122 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.636 -6.344 -5.024 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.821 -5.199 -7.196 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.083 -3.483 -3.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.160 -3.328 -7.905 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.400 -2.036 -4.498 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.943 -1.959 -6.912 1.00 0.00 H new ATOM 529 N TRP A 98 0.874 -3.569 0.249 1.00 0.00 N ATOM 530 CA TRP A 98 0.669 -3.488 1.692 1.00 0.00 C ATOM 531 C TRP A 98 -0.805 -3.442 2.064 1.00 0.00 C ATOM 532 O TRP A 98 -1.597 -2.734 1.442 1.00 0.00 O ATOM 533 CB TRP A 98 1.364 -2.254 2.264 1.00 0.00 C ATOM 534 CG TRP A 98 2.855 -2.370 2.295 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.610 -3.387 1.791 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.769 -1.438 2.871 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.943 -3.144 2.024 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.065 -1.948 2.682 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.611 -0.219 3.526 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.201 -1.275 3.129 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.735 0.450 3.970 1.00 0.00 C ATOM 542 CH2 TRP A 98 6.016 -0.079 3.768 1.00 0.00 C ATOM 0 H TRP A 98 0.893 -2.666 -0.225 1.00 0.00 H new ATOM 0 HA TRP A 98 1.101 -4.393 2.119 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.087 -1.383 1.670 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.000 -2.078 3.276 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.218 -4.256 1.283 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.714 -3.754 1.752 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.627 0.196 3.684 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.190 -1.682 2.977 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.624 1.395 4.481 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.876 0.469 4.124 1.00 0.00 H new ATOM 553 N LYS A 99 -1.152 -4.176 3.113 1.00 0.00 N ATOM 554 CA LYS A 99 -2.513 -4.204 3.616 1.00 0.00 C ATOM 555 C LYS A 99 -2.717 -3.036 4.570 1.00 0.00 C ATOM 556 O LYS A 99 -2.111 -2.991 5.638 1.00 0.00 O ATOM 557 CB LYS A 99 -2.785 -5.523 4.347 1.00 0.00 C ATOM 558 CG LYS A 99 -4.142 -5.582 5.032 1.00 0.00 C ATOM 559 CD LYS A 99 -5.200 -4.872 4.222 1.00 0.00 C ATOM 560 CE LYS A 99 -6.598 -5.293 4.639 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.327 -5.983 3.540 1.00 0.00 N ATOM 0 H LYS A 99 -0.501 -4.764 3.634 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.206 -4.122 2.778 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.714 -6.344 3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.006 -5.681 5.093 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.432 -6.622 5.179 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.072 -5.127 6.020 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.092 -3.794 4.345 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.055 -5.088 3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.534 -5.955 5.502 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.162 -4.415 4.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.291 -5.599 3.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.826 -5.830 2.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.374 -7.002 3.741 1.00 0.00 H new ATOM 575 N ALA A 100 -3.555 -2.084 4.181 1.00 0.00 N ATOM 576 CA ALA A 100 -3.803 -0.921 5.020 1.00 0.00 C ATOM 577 C ALA A 100 -5.259 -0.817 5.415 1.00 0.00 C ATOM 578 O ALA A 100 -6.154 -1.093 4.616 1.00 0.00 O ATOM 579 CB ALA A 100 -3.375 0.356 4.314 1.00 0.00 C ATOM 0 H ALA A 100 -4.069 -2.094 3.300 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.210 -1.048 5.925 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.570 1.212 4.960 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.310 0.307 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.938 0.466 3.387 1.00 0.00 H new ATOM 585 N GLN A 101 -5.492 -0.374 6.640 1.00 0.00 N ATOM 586 CA GLN A 101 -6.840 -0.184 7.120 1.00 0.00 C ATOM 587 C GLN A 101 -7.100 1.301 7.218 1.00 0.00 C ATOM 588 O GLN A 101 -6.527 1.990 8.061 1.00 0.00 O ATOM 589 CB GLN A 101 -7.055 -0.856 8.476 1.00 0.00 C ATOM 590 CG GLN A 101 -8.393 -0.523 9.097 1.00 0.00 C ATOM 591 CD GLN A 101 -8.460 -0.863 10.571 1.00 0.00 C ATOM 592 OE1 GLN A 101 -8.963 -1.919 10.955 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.951 0.034 11.408 1.00 0.00 N ATOM 0 H GLN A 101 -4.763 -0.141 7.314 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.539 -0.647 6.423 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.976 -1.936 8.356 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.260 -0.551 9.156 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.594 0.540 8.965 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.178 -1.064 8.569 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.544 0.896 11.046 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.967 -0.139 12.413 1.00 0.00 H new ATOM 602 N SER A 102 -7.960 1.793 6.350 1.00 0.00 N ATOM 603 CA SER A 102 -8.291 3.196 6.327 1.00 0.00 C ATOM 604 C SER A 102 -8.642 3.673 7.728 1.00 0.00 C ATOM 605 O SER A 102 -8.808 2.866 8.642 1.00 0.00 O ATOM 606 CB SER A 102 -9.444 3.416 5.363 1.00 0.00 C ATOM 607 OG SER A 102 -9.024 4.124 4.209 1.00 0.00 O ATOM 0 H SER A 102 -8.444 1.234 5.647 1.00 0.00 H new ATOM 0 HA SER A 102 -7.434 3.776 5.986 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.863 2.454 5.069 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.238 3.970 5.863 1.00 0.00 H new ATOM 0 HG SER A 102 -9.787 4.249 3.606 1.00 0.00 H new ATOM 613 N LEU A 103 -8.727 4.976 7.905 1.00 0.00 N ATOM 614 CA LEU A 103 -9.037 5.528 9.217 1.00 0.00 C ATOM 615 C LEU A 103 -10.232 6.466 9.172 1.00 0.00 C ATOM 616 O LEU A 103 -10.920 6.657 10.174 1.00 0.00 O ATOM 617 CB LEU A 103 -7.810 6.218 9.780 1.00 0.00 C ATOM 618 CG LEU A 103 -6.735 5.238 10.252 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.676 5.078 9.182 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.114 5.672 11.568 1.00 0.00 C ATOM 0 H LEU A 103 -8.588 5.669 7.169 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.316 4.708 9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.387 6.873 9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.108 6.852 10.615 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.212 4.273 10.427 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.914 4.379 9.526 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.135 4.695 8.270 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.216 6.045 8.978 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.355 4.949 11.868 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.653 6.652 11.447 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.887 5.726 12.335 1.00 0.00 H new ATOM 632 N THR A 104 -10.496 7.023 8.003 1.00 0.00 N ATOM 633 CA THR A 104 -11.629 7.905 7.826 1.00 0.00 C ATOM 634 C THR A 104 -12.875 7.065 7.594 1.00 0.00 C ATOM 635 O THR A 104 -13.954 7.341 8.118 1.00 0.00 O ATOM 636 CB THR A 104 -11.385 8.820 6.636 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.021 9.192 6.557 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.199 10.077 6.702 1.00 0.00 C ATOM 0 H THR A 104 -9.938 6.878 7.162 1.00 0.00 H new ATOM 0 HA THR A 104 -11.765 8.519 8.716 1.00 0.00 H new ATOM 0 HB THR A 104 -11.682 8.249 5.756 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.674 8.974 5.667 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.987 10.694 5.829 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.259 9.824 6.718 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.944 10.629 7.607 1.00 0.00 H new ATOM 646 N THR A 105 -12.681 6.025 6.802 1.00 0.00 N ATOM 647 CA THR A 105 -13.722 5.075 6.451 1.00 0.00 C ATOM 648 C THR A 105 -13.453 3.750 7.148 1.00 0.00 C ATOM 649 O THR A 105 -14.360 3.030 7.566 1.00 0.00 O ATOM 650 CB THR A 105 -13.701 4.860 4.945 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.876 3.760 4.601 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.197 6.060 4.173 1.00 0.00 C ATOM 0 H THR A 105 -11.778 5.813 6.377 1.00 0.00 H new ATOM 0 HA THR A 105 -14.694 5.459 6.762 1.00 0.00 H new ATOM 0 HB THR A 105 -14.740 4.678 4.672 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.957 3.578 3.641 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.209 5.837 3.106 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.841 6.917 4.372 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.178 6.291 4.484 1.00 0.00 H new ATOM 660 N GLY A 106 -12.170 3.464 7.243 1.00 0.00 N ATOM 661 CA GLY A 106 -11.671 2.263 7.853 1.00 0.00 C ATOM 662 C GLY A 106 -11.719 1.064 6.937 1.00 0.00 C ATOM 663 O GLY A 106 -11.300 -0.029 7.319 1.00 0.00 O ATOM 0 H GLY A 106 -11.436 4.077 6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.642 2.427 8.172 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.253 2.050 8.750 1.00 0.00 H new ATOM 667 N GLN A 107 -12.211 1.260 5.719 1.00 0.00 N ATOM 668 CA GLN A 107 -12.286 0.192 4.757 1.00 0.00 C ATOM 669 C GLN A 107 -10.949 -0.517 4.623 1.00 0.00 C ATOM 670 O GLN A 107 -9.929 0.098 4.313 1.00 0.00 O ATOM 671 CB GLN A 107 -12.745 0.751 3.433 1.00 0.00 C ATOM 672 CG GLN A 107 -14.249 0.808 3.350 1.00 0.00 C ATOM 673 CD GLN A 107 -14.807 2.203 3.543 1.00 0.00 C ATOM 674 OE1 GLN A 107 -14.461 3.129 2.810 1.00 0.00 O ATOM 675 NE2 GLN A 107 -15.679 2.359 4.532 1.00 0.00 N ATOM 0 H GLN A 107 -12.563 2.157 5.383 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.007 -0.550 5.099 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.334 1.751 3.297 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.358 0.134 2.622 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.567 0.428 2.379 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.673 0.147 4.106 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.937 1.563 5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.091 3.275 4.709 1.00 0.00 H new ATOM 684 N GLU A 108 -10.969 -1.810 4.886 1.00 0.00 N ATOM 685 CA GLU A 108 -9.759 -2.619 4.827 1.00 0.00 C ATOM 686 C GLU A 108 -9.519 -3.166 3.425 1.00 0.00 C ATOM 687 O GLU A 108 -10.459 -3.515 2.712 1.00 0.00 O ATOM 688 CB GLU A 108 -9.843 -3.765 5.832 1.00 0.00 C ATOM 689 CG GLU A 108 -10.101 -3.304 7.253 1.00 0.00 C ATOM 690 CD GLU A 108 -11.258 -4.037 7.905 1.00 0.00 C ATOM 691 OE1 GLU A 108 -11.022 -5.111 8.499 1.00 0.00 O ATOM 692 OE2 GLU A 108 -12.399 -3.537 7.823 1.00 0.00 O ATOM 0 H GLU A 108 -11.810 -2.327 5.143 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.916 -1.977 5.083 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.638 -4.446 5.529 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.912 -4.331 5.805 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.200 -3.453 7.848 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.309 -2.234 7.251 1.00 0.00 H new ATOM 699 N GLY A 109 -8.249 -3.237 3.040 1.00 0.00 N ATOM 700 CA GLY A 109 -7.896 -3.742 1.728 1.00 0.00 C ATOM 701 C GLY A 109 -6.415 -3.606 1.440 1.00 0.00 C ATOM 702 O GLY A 109 -5.662 -3.071 2.252 1.00 0.00 O ATOM 0 H GLY A 109 -7.457 -2.953 3.616 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.183 -4.791 1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.463 -3.203 0.969 1.00 0.00 H new ATOM 706 N PHE A 110 -5.999 -4.092 0.278 1.00 0.00 N ATOM 707 CA PHE A 110 -4.607 -4.031 -0.127 1.00 0.00 C ATOM 708 C PHE A 110 -4.309 -2.708 -0.820 1.00 0.00 C ATOM 709 O PHE A 110 -5.185 -2.119 -1.452 1.00 0.00 O ATOM 710 CB PHE A 110 -4.302 -5.198 -1.060 1.00 0.00 C ATOM 711 CG PHE A 110 -3.751 -6.403 -0.352 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.339 -6.865 0.815 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.647 -7.073 -0.853 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.836 -7.973 1.468 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.139 -8.181 -0.204 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.734 -8.632 0.959 1.00 0.00 C ATOM 0 H PHE A 110 -6.614 -4.536 -0.404 1.00 0.00 H new ATOM 0 HA PHE A 110 -3.974 -4.100 0.758 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.214 -5.481 -1.585 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.587 -4.872 -1.815 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.200 -6.353 1.218 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.178 -6.725 -1.762 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.304 -8.324 2.376 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.278 -8.695 -0.605 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.338 -9.498 1.469 1.00 0.00 H new ATOM 726 N ILE A 111 -3.076 -2.234 -0.695 1.00 0.00 N ATOM 727 CA ILE A 111 -2.691 -0.972 -1.310 1.00 0.00 C ATOM 728 C ILE A 111 -1.248 -0.991 -1.807 1.00 0.00 C ATOM 729 O ILE A 111 -0.361 -1.566 -1.177 1.00 0.00 O ATOM 730 CB ILE A 111 -2.857 0.203 -0.324 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.901 0.033 0.857 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.299 0.300 0.153 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.374 1.337 1.415 1.00 0.00 C ATOM 0 H ILE A 111 -2.331 -2.701 -0.177 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.356 -0.835 -2.163 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.610 1.132 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.414 -0.509 1.651 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.058 -0.583 0.543 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.397 1.134 0.848 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.955 0.461 -0.702 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.579 -0.626 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.703 1.131 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.831 1.873 0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.208 1.948 1.762 1.00 0.00 H new ATOM 745 N PRO A 112 -1.002 -0.334 -2.946 1.00 0.00 N ATOM 746 CA PRO A 112 0.325 -0.232 -3.539 1.00 0.00 C ATOM 747 C PRO A 112 1.354 0.252 -2.518 1.00 0.00 C ATOM 748 O PRO A 112 1.302 1.397 -2.070 1.00 0.00 O ATOM 749 CB PRO A 112 0.154 0.797 -4.670 1.00 0.00 C ATOM 750 CG PRO A 112 -1.218 1.366 -4.508 1.00 0.00 C ATOM 751 CD PRO A 112 -2.010 0.373 -3.724 1.00 0.00 C ATOM 0 HA PRO A 112 0.691 -1.194 -3.896 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.911 1.579 -4.603 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.268 0.326 -5.646 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.180 2.324 -3.990 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.678 1.546 -5.479 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.742 0.862 -3.081 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.561 -0.305 -4.376 1.00 0.00 H new ATOM 759 N PHE A 113 2.273 -0.631 -2.137 1.00 0.00 N ATOM 760 CA PHE A 113 3.299 -0.296 -1.147 1.00 0.00 C ATOM 761 C PHE A 113 3.995 1.029 -1.466 1.00 0.00 C ATOM 762 O PHE A 113 4.512 1.696 -0.569 1.00 0.00 O ATOM 763 CB PHE A 113 4.329 -1.427 -1.039 1.00 0.00 C ATOM 764 CG PHE A 113 5.378 -1.413 -2.120 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.030 -1.204 -3.446 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.714 -1.607 -1.806 1.00 0.00 C ATOM 767 CE1 PHE A 113 5.994 -1.188 -4.436 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.682 -1.592 -2.792 1.00 0.00 C ATOM 769 CZ PHE A 113 7.322 -1.383 -4.109 1.00 0.00 C ATOM 0 H PHE A 113 2.330 -1.584 -2.497 1.00 0.00 H new ATOM 0 HA PHE A 113 2.797 -0.178 -0.187 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.822 -1.363 -0.069 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.806 -2.383 -1.068 1.00 0.00 H new ATOM 0 HD1 PHE A 113 3.993 -1.052 -3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.002 -1.772 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.709 -1.023 -5.465 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.719 -1.744 -2.533 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.077 -1.372 -4.881 1.00 0.00 H new ATOM 779 N ASN A 114 4.011 1.405 -2.741 1.00 0.00 N ATOM 780 CA ASN A 114 4.650 2.647 -3.158 1.00 0.00 C ATOM 781 C ASN A 114 3.620 3.754 -3.359 1.00 0.00 C ATOM 782 O ASN A 114 3.792 4.628 -4.209 1.00 0.00 O ATOM 783 CB ASN A 114 5.435 2.427 -4.452 1.00 0.00 C ATOM 784 CG ASN A 114 4.631 1.685 -5.501 1.00 0.00 C ATOM 785 OD1 ASN A 114 3.403 1.633 -5.436 1.00 0.00 O ATOM 786 ND2 ASN A 114 5.321 1.103 -6.475 1.00 0.00 N ATOM 0 H ASN A 114 3.590 0.869 -3.500 1.00 0.00 H new ATOM 0 HA ASN A 114 5.335 2.955 -2.368 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.746 3.392 -4.853 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.343 1.866 -4.231 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.833 0.588 -7.208 1.00 0.00 H new ATOM 0 HD22 ASN A 114 6.339 1.171 -6.490 1.00 0.00 H new ATOM 793 N PHE A 115 2.545 3.710 -2.579 1.00 0.00 N ATOM 794 CA PHE A 115 1.486 4.706 -2.681 1.00 0.00 C ATOM 795 C PHE A 115 1.232 5.410 -1.352 1.00 0.00 C ATOM 796 O PHE A 115 0.202 6.063 -1.189 1.00 0.00 O ATOM 797 CB PHE A 115 0.192 4.039 -3.135 1.00 0.00 C ATOM 798 CG PHE A 115 -0.392 4.630 -4.382 1.00 0.00 C ATOM 799 CD1 PHE A 115 0.371 4.772 -5.529 1.00 0.00 C ATOM 800 CD2 PHE A 115 -1.710 5.043 -4.403 1.00 0.00 C ATOM 801 CE1 PHE A 115 -0.176 5.316 -6.674 1.00 0.00 C ATOM 802 CE2 PHE A 115 -2.262 5.587 -5.541 1.00 0.00 C ATOM 803 CZ PHE A 115 -1.495 5.725 -6.681 1.00 0.00 C ATOM 0 H PHE A 115 2.385 2.995 -1.869 1.00 0.00 H new ATOM 0 HA PHE A 115 1.812 5.450 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.381 2.978 -3.301 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.542 4.110 -2.333 1.00 0.00 H new ATOM 0 HD1 PHE A 115 1.403 4.454 -5.528 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -2.316 4.938 -3.515 1.00 0.00 H new ATOM 0 HE1 PHE A 115 0.427 5.422 -7.564 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -3.294 5.906 -5.542 1.00 0.00 H new ATOM 0 HZ PHE A 115 -1.925 6.151 -7.575 1.00 0.00 H new ATOM 813 N VAL A 116 2.145 5.269 -0.396 1.00 0.00 N ATOM 814 CA VAL A 116 1.947 5.898 0.904 1.00 0.00 C ATOM 815 C VAL A 116 3.254 6.259 1.597 1.00 0.00 C ATOM 816 O VAL A 116 4.278 5.599 1.420 1.00 0.00 O ATOM 817 CB VAL A 116 1.127 4.990 1.836 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.303 4.869 1.336 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.777 3.617 1.961 1.00 0.00 C ATOM 0 H VAL A 116 3.010 4.737 -0.493 1.00 0.00 H new ATOM 0 HA VAL A 116 1.404 6.822 0.705 1.00 0.00 H new ATOM 0 HB VAL A 116 1.105 5.443 2.827 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -0.870 4.223 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -0.764 5.857 1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.303 4.440 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 116 1.180 2.991 2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.835 3.151 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.781 3.726 2.370 1.00 0.00 H new ATOM 829 N ALA A 117 3.188 7.312 2.406 1.00 0.00 N ATOM 830 CA ALA A 117 4.331 7.789 3.168 1.00 0.00 C ATOM 831 C ALA A 117 3.879 8.193 4.568 1.00 0.00 C ATOM 832 O ALA A 117 2.805 8.769 4.733 1.00 0.00 O ATOM 833 CB ALA A 117 4.993 8.961 2.458 1.00 0.00 C ATOM 0 H ALA A 117 2.338 7.857 2.550 1.00 0.00 H new ATOM 0 HA ALA A 117 5.065 6.987 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.846 9.305 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.332 8.644 1.472 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.275 9.774 2.351 1.00 0.00 H new ATOM 839 N LYS A 118 4.690 7.875 5.573 1.00 0.00 N ATOM 840 CA LYS A 118 4.359 8.189 6.964 1.00 0.00 C ATOM 841 C LYS A 118 3.704 9.561 7.101 1.00 0.00 C ATOM 842 O LYS A 118 4.114 10.521 6.450 1.00 0.00 O ATOM 843 CB LYS A 118 5.619 8.134 7.830 1.00 0.00 C ATOM 844 CG LYS A 118 6.251 6.754 7.898 1.00 0.00 C ATOM 845 CD LYS A 118 5.214 5.688 8.206 1.00 0.00 C ATOM 846 CE LYS A 118 5.845 4.309 8.314 1.00 0.00 C ATOM 847 NZ LYS A 118 5.017 3.382 9.136 1.00 0.00 N ATOM 0 H LYS A 118 5.584 7.399 5.452 1.00 0.00 H new ATOM 0 HA LYS A 118 3.643 7.441 7.304 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.350 8.840 7.438 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.370 8.461 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.738 6.527 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 118 7.026 6.744 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.707 5.931 9.140 1.00 0.00 H new ATOM 0 HD3 LYS A 118 4.455 5.681 7.424 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.976 3.891 7.316 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.838 4.398 8.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.481 2.453 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.913 3.768 10.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.078 3.277 8.701 1.00 0.00 H new ATOM 861 N ALA A 119 2.685 9.642 7.957 1.00 0.00 N ATOM 862 CA ALA A 119 1.972 10.899 8.189 1.00 0.00 C ATOM 863 C ALA A 119 2.854 11.901 8.932 1.00 0.00 C ATOM 864 O ALA A 119 2.470 12.427 9.978 1.00 0.00 O ATOM 865 CB ALA A 119 0.683 10.661 8.973 1.00 0.00 C ATOM 0 H ALA A 119 2.335 8.853 8.501 1.00 0.00 H new ATOM 0 HA ALA A 119 1.716 11.315 7.214 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.173 11.611 9.132 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.034 9.990 8.411 1.00 0.00 H new ATOM 0 HB3 ALA A 119 0.921 10.212 9.937 1.00 0.00 H new ATOM 871 N ASN A 120 4.037 12.162 8.387 1.00 0.00 N ATOM 872 CA ASN A 120 4.971 13.099 8.999 1.00 0.00 C ATOM 873 C ASN A 120 5.979 13.610 7.975 1.00 0.00 C ATOM 874 O ASN A 120 6.011 13.063 6.853 1.00 0.00 O ATOM 875 CB ASN A 120 5.702 12.432 10.167 1.00 0.00 C ATOM 876 CG ASN A 120 5.848 13.355 11.361 1.00 0.00 C ATOM 877 OD1 ASN A 120 4.908 13.540 12.135 1.00 0.00 O ATOM 878 ND2 ASN A 120 7.029 13.940 11.516 1.00 0.00 N ATOM 879 OXT ASN A 120 6.730 14.552 8.305 1.00 0.00 O ATOM 0 H ASN A 120 4.372 11.737 7.522 1.00 0.00 H new ATOM 0 HA ASN A 120 4.402 13.949 9.375 1.00 0.00 H new ATOM 0 HB2 ASN A 120 5.159 11.536 10.468 1.00 0.00 H new ATOM 0 HB3 ASN A 120 6.690 12.110 9.837 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.186 14.572 12.301 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.780 13.758 10.850 1.00 0.00 H new