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 -140:sc= -1.53! USER MOD Set 1.2: A 107 GLN : amide:sc= -3.88! C(o=-5.4!,f=-7!) USER MOD Single : A 70 HIS : no HE2:sc= -4.39 K(o=-4.4,f=-5.4!) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00551 USER MOD Single : A 72 TYR OH : rot 59:sc= -0.201! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= -0.213 X(o=-0.21,f=-0.076) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0108 X(o=-0.011,f=0) USER MOD Single : A 93 GLN : amide:sc= -0.0879 X(o=-0.088,f=0) USER MOD Single : A 94 SER OG : rot 180:sc= 0.0337 USER MOD Single : A 99 LYS NZ :NH3+ -134:sc= -2.62 (180deg=-7.05!) USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= -0.108 USER MOD Single : A 104 THR OG1 : rot 125:sc= 0.497 USER MOD Single : A 114 ASN : amide:sc= -0.728 K(o=-0.73,f=-7.1!) 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 1.053 3.822 10.755 1.00 0.00 N ATOM 16 CA LEU A 65 0.195 4.579 9.870 1.00 0.00 C ATOM 17 C LEU A 65 0.985 5.355 8.839 1.00 0.00 C ATOM 18 O LEU A 65 2.057 5.894 9.109 1.00 0.00 O ATOM 19 CB LEU A 65 -0.708 5.528 10.648 1.00 0.00 C ATOM 20 CG LEU A 65 -1.438 6.552 9.794 1.00 0.00 C ATOM 21 CD1 LEU A 65 -2.305 5.849 8.765 1.00 0.00 C ATOM 22 CD2 LEU A 65 -2.270 7.486 10.659 1.00 0.00 C ATOM 0 HA LEU A 65 -0.426 3.852 9.346 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.445 4.940 11.196 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -0.106 6.055 11.389 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.699 7.157 9.269 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.824 6.591 8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.678 5.230 8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.036 5.221 9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -2.782 8.209 10.025 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.006 6.907 11.216 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.619 8.012 11.357 1.00 0.00 H new ATOM 34 N VAL A 66 0.418 5.392 7.653 1.00 0.00 N ATOM 35 CA VAL A 66 1.009 6.082 6.524 1.00 0.00 C ATOM 36 C VAL A 66 0.046 7.094 5.920 1.00 0.00 C ATOM 37 O VAL A 66 -1.067 7.284 6.406 1.00 0.00 O ATOM 38 CB VAL A 66 1.405 5.089 5.432 1.00 0.00 C ATOM 39 CG1 VAL A 66 2.716 4.406 5.778 1.00 0.00 C ATOM 40 CG2 VAL A 66 0.301 4.065 5.205 1.00 0.00 C ATOM 0 H VAL A 66 -0.472 4.941 7.442 1.00 0.00 H new ATOM 0 HA VAL A 66 1.891 6.602 6.899 1.00 0.00 H new ATOM 0 HB VAL A 66 1.546 5.642 4.503 1.00 0.00 H new ATOM 0 HG11 VAL A 66 2.980 3.703 4.988 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.502 5.155 5.875 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.609 3.869 6.720 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.605 3.369 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.118 3.516 6.129 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -0.612 4.576 4.900 1.00 0.00 H new ATOM 50 N ILE A 67 0.482 7.731 4.845 1.00 0.00 N ATOM 51 CA ILE A 67 -0.338 8.709 4.156 1.00 0.00 C ATOM 52 C ILE A 67 -0.106 8.647 2.654 1.00 0.00 C ATOM 53 O ILE A 67 1.022 8.756 2.178 1.00 0.00 O ATOM 54 CB ILE A 67 -0.104 10.144 4.691 1.00 0.00 C ATOM 55 CG1 ILE A 67 -1.319 10.553 5.513 1.00 0.00 C ATOM 56 CG2 ILE A 67 0.136 11.137 3.560 1.00 0.00 C ATOM 57 CD1 ILE A 67 -1.362 12.013 5.905 1.00 0.00 C ATOM 0 H ILE A 67 1.403 7.586 4.431 1.00 0.00 H new ATOM 0 HA ILE A 67 -1.379 8.456 4.356 1.00 0.00 H new ATOM 0 HB ILE A 67 0.792 10.151 5.311 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -2.219 10.318 4.945 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -1.347 9.948 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.296 12.131 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.016 10.836 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -0.732 11.155 2.901 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -2.263 12.207 6.487 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -0.484 12.255 6.504 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -1.370 12.631 5.007 1.00 0.00 H new ATOM 69 N ALA A 68 -1.192 8.461 1.921 1.00 0.00 N ATOM 70 CA ALA A 68 -1.127 8.368 0.467 1.00 0.00 C ATOM 71 C ALA A 68 -0.451 9.591 -0.140 1.00 0.00 C ATOM 72 O ALA A 68 -0.551 10.699 0.387 1.00 0.00 O ATOM 73 CB ALA A 68 -2.517 8.184 -0.118 1.00 0.00 C ATOM 0 H ALA A 68 -2.132 8.371 2.308 1.00 0.00 H new ATOM 0 HA ALA A 68 -0.523 7.496 0.217 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.449 8.117 -1.204 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.959 7.269 0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.142 9.035 0.154 1.00 0.00 H new ATOM 79 N LEU A 69 0.239 9.375 -1.252 1.00 0.00 N ATOM 80 CA LEU A 69 0.939 10.450 -1.942 1.00 0.00 C ATOM 81 C LEU A 69 0.130 10.945 -3.140 1.00 0.00 C ATOM 82 O LEU A 69 0.274 12.090 -3.566 1.00 0.00 O ATOM 83 CB LEU A 69 2.319 9.970 -2.391 1.00 0.00 C ATOM 84 CG LEU A 69 3.319 9.729 -1.253 1.00 0.00 C ATOM 85 CD1 LEU A 69 4.687 9.342 -1.801 1.00 0.00 C ATOM 86 CD2 LEU A 69 3.428 10.965 -0.373 1.00 0.00 C ATOM 0 H LEU A 69 0.329 8.461 -1.697 1.00 0.00 H new ATOM 0 HA LEU A 69 1.062 11.284 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.201 9.044 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.740 10.707 -3.075 1.00 0.00 H new ATOM 0 HG LEU A 69 2.951 8.901 -0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.377 9.177 -0.974 1.00 0.00 H new ATOM 0 HD12 LEU A 69 4.599 8.428 -2.388 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.065 10.144 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 69 4.141 10.778 0.430 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.769 11.809 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.452 11.194 0.055 1.00 0.00 H new ATOM 98 N HIS A 70 -0.729 10.077 -3.673 1.00 0.00 N ATOM 99 CA HIS A 70 -1.569 10.432 -4.814 1.00 0.00 C ATOM 100 C HIS A 70 -2.946 9.789 -4.695 1.00 0.00 C ATOM 101 O HIS A 70 -3.246 9.117 -3.708 1.00 0.00 O ATOM 102 CB HIS A 70 -0.915 10.012 -6.137 1.00 0.00 C ATOM 103 CG HIS A 70 0.110 8.926 -6.009 1.00 0.00 C ATOM 104 ND1 HIS A 70 -0.009 7.702 -6.633 1.00 0.00 N ATOM 105 CD2 HIS A 70 1.279 8.889 -5.332 1.00 0.00 C ATOM 106 CE1 HIS A 70 1.043 6.958 -6.341 1.00 0.00 C ATOM 107 NE2 HIS A 70 1.840 7.656 -5.554 1.00 0.00 N ATOM 0 H HIS A 70 -0.861 9.124 -3.333 1.00 0.00 H new ATOM 0 HA HIS A 70 -1.682 11.516 -4.811 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.694 9.679 -6.823 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.445 10.886 -6.588 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -0.787 7.416 -7.227 1.00 0.00 H new ATOM 0 HD2 HIS A 70 1.695 9.682 -4.728 1.00 0.00 H new ATOM 0 HE1 HIS A 70 1.220 5.951 -6.687 1.00 0.00 H new ATOM 116 N SER A 71 -3.779 9.996 -5.711 1.00 0.00 N ATOM 117 CA SER A 71 -5.123 9.429 -5.724 1.00 0.00 C ATOM 118 C SER A 71 -5.077 7.979 -6.186 1.00 0.00 C ATOM 119 O SER A 71 -4.546 7.675 -7.254 1.00 0.00 O ATOM 120 CB SER A 71 -6.037 10.240 -6.643 1.00 0.00 C ATOM 121 OG SER A 71 -5.572 11.572 -6.780 1.00 0.00 O ATOM 0 H SER A 71 -3.547 10.551 -6.535 1.00 0.00 H new ATOM 0 HA SER A 71 -5.523 9.467 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 71 -6.085 9.766 -7.623 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.050 10.245 -6.241 1.00 0.00 H new ATOM 0 HG SER A 71 -6.173 12.069 -7.374 1.00 0.00 H new ATOM 127 N TYR A 72 -5.621 7.083 -5.372 1.00 0.00 N ATOM 128 CA TYR A 72 -5.617 5.659 -5.707 1.00 0.00 C ATOM 129 C TYR A 72 -6.975 5.165 -6.191 1.00 0.00 C ATOM 130 O TYR A 72 -8.022 5.628 -5.738 1.00 0.00 O ATOM 131 CB TYR A 72 -5.187 4.814 -4.508 1.00 0.00 C ATOM 132 CG TYR A 72 -4.959 3.360 -4.860 1.00 0.00 C ATOM 133 CD1 TYR A 72 -4.200 3.004 -5.968 1.00 0.00 C ATOM 134 CD2 TYR A 72 -5.510 2.346 -4.091 1.00 0.00 C ATOM 135 CE1 TYR A 72 -3.997 1.677 -6.296 1.00 0.00 C ATOM 136 CE2 TYR A 72 -5.311 1.017 -4.412 1.00 0.00 C ATOM 137 CZ TYR A 72 -4.555 0.689 -5.515 1.00 0.00 C ATOM 138 OH TYR A 72 -4.357 -0.633 -5.840 1.00 0.00 O ATOM 0 H TYR A 72 -6.067 7.311 -4.483 1.00 0.00 H new ATOM 0 HA TYR A 72 -4.901 5.546 -6.521 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.270 5.229 -4.089 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.950 4.879 -3.732 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -3.762 3.776 -6.583 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -6.105 2.600 -3.226 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.404 1.416 -7.160 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.746 0.240 -3.801 1.00 0.00 H new ATOM 0 HH TYR A 72 -3.396 -0.827 -5.849 1.00 0.00 H new ATOM 148 N GLU A 73 -6.934 4.199 -7.106 1.00 0.00 N ATOM 149 CA GLU A 73 -8.130 3.596 -7.658 1.00 0.00 C ATOM 150 C GLU A 73 -7.950 2.080 -7.761 1.00 0.00 C ATOM 151 O GLU A 73 -7.404 1.572 -8.741 1.00 0.00 O ATOM 152 CB GLU A 73 -8.424 4.185 -9.020 1.00 0.00 C ATOM 153 CG GLU A 73 -9.731 4.946 -9.077 1.00 0.00 C ATOM 154 CD GLU A 73 -9.865 5.787 -10.331 1.00 0.00 C ATOM 155 OE1 GLU A 73 -9.963 5.201 -11.430 1.00 0.00 O ATOM 156 OE2 GLU A 73 -9.875 7.030 -10.216 1.00 0.00 O ATOM 0 H GLU A 73 -6.066 3.817 -7.482 1.00 0.00 H new ATOM 0 HA GLU A 73 -8.972 3.804 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.610 4.853 -9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -8.447 3.383 -9.757 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -10.560 4.240 -9.028 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.809 5.591 -8.202 1.00 0.00 H new ATOM 163 N PRO A 74 -8.404 1.350 -6.735 1.00 0.00 N ATOM 164 CA PRO A 74 -8.308 -0.105 -6.654 1.00 0.00 C ATOM 165 C PRO A 74 -8.509 -0.800 -7.997 1.00 0.00 C ATOM 166 O PRO A 74 -9.503 -0.575 -8.686 1.00 0.00 O ATOM 167 CB PRO A 74 -9.431 -0.483 -5.673 1.00 0.00 C ATOM 168 CG PRO A 74 -10.030 0.808 -5.199 1.00 0.00 C ATOM 169 CD PRO A 74 -9.049 1.890 -5.553 1.00 0.00 C ATOM 0 HA PRO A 74 -7.315 -0.421 -6.335 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -10.182 -1.103 -6.162 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -9.038 -1.060 -4.836 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -10.993 0.987 -5.676 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.207 0.782 -4.124 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -9.546 2.838 -5.759 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -8.336 2.072 -4.748 1.00 0.00 H new ATOM 177 N SER A 75 -7.556 -1.654 -8.352 1.00 0.00 N ATOM 178 CA SER A 75 -7.613 -2.399 -9.603 1.00 0.00 C ATOM 179 C SER A 75 -7.500 -3.898 -9.341 1.00 0.00 C ATOM 180 O SER A 75 -8.208 -4.700 -9.948 1.00 0.00 O ATOM 181 CB SER A 75 -6.496 -1.945 -10.544 1.00 0.00 C ATOM 182 OG SER A 75 -6.964 -1.834 -11.877 1.00 0.00 O ATOM 0 H SER A 75 -6.730 -1.848 -7.787 1.00 0.00 H new ATOM 0 HA SER A 75 -8.575 -2.200 -10.076 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.105 -0.983 -10.212 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.671 -2.656 -10.503 1.00 0.00 H new ATOM 0 HG SER A 75 -6.231 -1.541 -12.458 1.00 0.00 H new ATOM 188 N HIS A 76 -6.606 -4.267 -8.427 1.00 0.00 N ATOM 189 CA HIS A 76 -6.402 -5.668 -8.078 1.00 0.00 C ATOM 190 C HIS A 76 -7.481 -6.146 -7.110 1.00 0.00 C ATOM 191 O HIS A 76 -8.095 -5.343 -6.405 1.00 0.00 O ATOM 192 CB HIS A 76 -5.016 -5.868 -7.456 1.00 0.00 C ATOM 193 CG HIS A 76 -3.959 -6.224 -8.453 1.00 0.00 C ATOM 194 ND1 HIS A 76 -2.641 -6.438 -8.110 1.00 0.00 N ATOM 195 CD2 HIS A 76 -4.030 -6.403 -9.795 1.00 0.00 C ATOM 196 CE1 HIS A 76 -1.947 -6.733 -9.195 1.00 0.00 C ATOM 197 NE2 HIS A 76 -2.766 -6.719 -10.229 1.00 0.00 N ATOM 0 H HIS A 76 -6.012 -3.614 -7.915 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.468 -6.258 -8.992 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -4.723 -4.954 -6.939 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -5.074 -6.655 -6.704 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -4.915 -6.314 -10.408 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -0.889 -6.949 -9.229 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.503 -6.912 -11.195 1.00 0.00 H new ATOM 206 N ASP A 77 -7.710 -7.454 -7.083 1.00 0.00 N ATOM 207 CA ASP A 77 -8.719 -8.035 -6.202 1.00 0.00 C ATOM 208 C ASP A 77 -8.323 -7.871 -4.738 1.00 0.00 C ATOM 209 O ASP A 77 -7.152 -8.007 -4.383 1.00 0.00 O ATOM 210 CB ASP A 77 -8.916 -9.516 -6.526 1.00 0.00 C ATOM 211 CG ASP A 77 -9.587 -9.730 -7.869 1.00 0.00 C ATOM 212 OD1 ASP A 77 -10.612 -9.067 -8.132 1.00 0.00 O ATOM 213 OD2 ASP A 77 -9.087 -10.560 -8.657 1.00 0.00 O ATOM 0 H ASP A 77 -7.212 -8.132 -7.660 1.00 0.00 H new ATOM 0 HA ASP A 77 -9.658 -7.506 -6.367 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -7.948 -10.018 -6.522 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -9.518 -9.979 -5.744 1.00 0.00 H new ATOM 218 N GLY A 78 -9.305 -7.577 -3.892 1.00 0.00 N ATOM 219 CA GLY A 78 -9.036 -7.401 -2.476 1.00 0.00 C ATOM 220 C GLY A 78 -8.153 -6.203 -2.199 1.00 0.00 C ATOM 221 O GLY A 78 -7.287 -6.255 -1.326 1.00 0.00 O ATOM 0 H GLY A 78 -10.282 -7.457 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.979 -7.285 -1.942 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -8.557 -8.299 -2.086 1.00 0.00 H new ATOM 225 N ASP A 79 -8.369 -5.120 -2.940 1.00 0.00 N ATOM 226 CA ASP A 79 -7.581 -3.909 -2.763 1.00 0.00 C ATOM 227 C ASP A 79 -8.399 -2.815 -2.090 1.00 0.00 C ATOM 228 O ASP A 79 -9.628 -2.807 -2.161 1.00 0.00 O ATOM 229 CB ASP A 79 -7.057 -3.411 -4.109 1.00 0.00 C ATOM 230 CG ASP A 79 -6.016 -4.339 -4.701 1.00 0.00 C ATOM 231 OD1 ASP A 79 -6.262 -5.563 -4.735 1.00 0.00 O ATOM 232 OD2 ASP A 79 -4.953 -3.842 -5.123 1.00 0.00 O ATOM 0 H ASP A 79 -9.082 -5.058 -3.667 1.00 0.00 H new ATOM 0 HA ASP A 79 -6.736 -4.153 -2.119 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -7.889 -3.311 -4.806 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -6.626 -2.418 -3.983 1.00 0.00 H new ATOM 237 N LEU A 80 -7.703 -1.889 -1.444 1.00 0.00 N ATOM 238 CA LEU A 80 -8.349 -0.778 -0.761 1.00 0.00 C ATOM 239 C LEU A 80 -8.047 0.529 -1.485 1.00 0.00 C ATOM 240 O LEU A 80 -6.894 0.821 -1.803 1.00 0.00 O ATOM 241 CB LEU A 80 -7.878 -0.710 0.699 1.00 0.00 C ATOM 242 CG LEU A 80 -7.928 0.673 1.353 1.00 0.00 C ATOM 243 CD1 LEU A 80 -9.368 1.108 1.589 1.00 0.00 C ATOM 244 CD2 LEU A 80 -7.151 0.672 2.660 1.00 0.00 C ATOM 0 H LEU A 80 -6.685 -1.886 -1.379 1.00 0.00 H new ATOM 0 HA LEU A 80 -9.428 -0.935 -0.768 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.489 -1.392 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -6.853 -1.077 0.747 1.00 0.00 H new ATOM 0 HG LEU A 80 -7.463 1.388 0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -9.379 2.094 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.896 1.151 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -9.862 0.391 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -7.197 1.663 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -7.587 -0.058 3.342 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.111 0.410 2.465 1.00 0.00 H new ATOM 256 N GLY A 81 -9.086 1.313 -1.739 1.00 0.00 N ATOM 257 CA GLY A 81 -8.902 2.579 -2.420 1.00 0.00 C ATOM 258 C GLY A 81 -8.825 3.739 -1.456 1.00 0.00 C ATOM 259 O GLY A 81 -9.455 3.721 -0.398 1.00 0.00 O ATOM 0 H GLY A 81 -10.050 1.096 -1.487 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -7.989 2.541 -3.014 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.727 2.740 -3.114 1.00 0.00 H new ATOM 263 N PHE A 82 -8.050 4.749 -1.819 1.00 0.00 N ATOM 264 CA PHE A 82 -7.888 5.922 -0.975 1.00 0.00 C ATOM 265 C PHE A 82 -7.604 7.154 -1.814 1.00 0.00 C ATOM 266 O PHE A 82 -7.521 7.081 -3.040 1.00 0.00 O ATOM 267 CB PHE A 82 -6.753 5.708 0.025 1.00 0.00 C ATOM 268 CG PHE A 82 -5.568 4.979 -0.549 1.00 0.00 C ATOM 269 CD1 PHE A 82 -5.642 3.628 -0.845 1.00 0.00 C ATOM 270 CD2 PHE A 82 -4.383 5.650 -0.799 1.00 0.00 C ATOM 271 CE1 PHE A 82 -4.554 2.961 -1.376 1.00 0.00 C ATOM 272 CE2 PHE A 82 -3.290 4.986 -1.330 1.00 0.00 C ATOM 273 CZ PHE A 82 -3.378 3.640 -1.618 1.00 0.00 C ATOM 0 H PHE A 82 -7.524 4.780 -2.692 1.00 0.00 H new ATOM 0 HA PHE A 82 -8.820 6.075 -0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -6.425 6.677 0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.134 5.148 0.879 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.560 3.090 -0.659 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -4.310 6.704 -0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.625 1.907 -1.602 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -2.371 5.521 -1.518 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.528 3.119 -2.032 1.00 0.00 H new ATOM 283 N GLU A 83 -7.458 8.287 -1.145 1.00 0.00 N ATOM 284 CA GLU A 83 -7.186 9.538 -1.826 1.00 0.00 C ATOM 285 C GLU A 83 -5.760 10.003 -1.553 1.00 0.00 C ATOM 286 O GLU A 83 -5.025 9.371 -0.794 1.00 0.00 O ATOM 287 CB GLU A 83 -8.180 10.599 -1.362 1.00 0.00 C ATOM 288 CG GLU A 83 -9.249 10.917 -2.390 1.00 0.00 C ATOM 289 CD GLU A 83 -9.464 12.409 -2.570 1.00 0.00 C ATOM 290 OE1 GLU A 83 -10.277 12.986 -1.818 1.00 0.00 O ATOM 291 OE2 GLU A 83 -8.817 12.998 -3.461 1.00 0.00 O ATOM 0 H GLU A 83 -7.524 8.363 -0.130 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.295 9.383 -2.899 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.660 10.260 -0.444 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.637 11.513 -1.119 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.969 10.476 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.188 10.453 -2.087 1.00 0.00 H new ATOM 298 N LYS A 84 -5.380 11.118 -2.159 1.00 0.00 N ATOM 299 CA LYS A 84 -4.050 11.672 -1.957 1.00 0.00 C ATOM 300 C LYS A 84 -3.994 12.334 -0.584 1.00 0.00 C ATOM 301 O LYS A 84 -4.925 13.036 -0.186 1.00 0.00 O ATOM 302 CB LYS A 84 -3.714 12.658 -3.077 1.00 0.00 C ATOM 303 CG LYS A 84 -2.624 13.662 -2.728 1.00 0.00 C ATOM 304 CD LYS A 84 -2.771 14.939 -3.533 1.00 0.00 C ATOM 305 CE LYS A 84 -1.426 15.604 -3.775 1.00 0.00 C ATOM 306 NZ LYS A 84 -1.132 16.652 -2.758 1.00 0.00 N ATOM 0 H LYS A 84 -5.972 11.655 -2.793 1.00 0.00 H new ATOM 0 HA LYS A 84 -3.303 10.879 -1.990 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -3.404 12.096 -3.958 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -4.619 13.202 -3.348 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -2.668 13.894 -1.664 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.646 13.220 -2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.244 14.715 -4.489 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.429 15.629 -3.005 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.640 14.849 -3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -1.416 16.050 -4.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -0.206 17.081 -2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -1.868 17.386 -2.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.116 16.222 -1.811 1.00 0.00 H new ATOM 320 N GLY A 85 -2.922 12.074 0.154 1.00 0.00 N ATOM 321 CA GLY A 85 -2.799 12.621 1.496 1.00 0.00 C ATOM 322 C GLY A 85 -3.644 11.847 2.491 1.00 0.00 C ATOM 323 O GLY A 85 -3.550 12.067 3.699 1.00 0.00 O ATOM 0 H GLY A 85 -2.137 11.497 -0.149 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -1.754 12.595 1.806 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -3.105 13.667 1.493 1.00 0.00 H new ATOM 327 N GLU A 86 -4.459 10.920 1.981 1.00 0.00 N ATOM 328 CA GLU A 86 -5.305 10.094 2.824 1.00 0.00 C ATOM 329 C GLU A 86 -4.445 9.293 3.777 1.00 0.00 C ATOM 330 O GLU A 86 -3.236 9.185 3.590 1.00 0.00 O ATOM 331 CB GLU A 86 -6.131 9.140 1.955 1.00 0.00 C ATOM 332 CG GLU A 86 -7.560 8.887 2.421 1.00 0.00 C ATOM 333 CD GLU A 86 -7.980 9.714 3.624 1.00 0.00 C ATOM 334 OE1 GLU A 86 -8.413 10.869 3.429 1.00 0.00 O ATOM 335 OE2 GLU A 86 -7.877 9.205 4.761 1.00 0.00 O ATOM 0 H GLU A 86 -4.546 10.728 0.983 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.978 10.735 3.393 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.165 9.539 0.941 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.611 8.183 1.903 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.241 9.095 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -7.669 7.830 2.665 1.00 0.00 H new ATOM 342 N GLN A 87 -5.069 8.722 4.790 1.00 0.00 N ATOM 343 CA GLN A 87 -4.340 7.926 5.761 1.00 0.00 C ATOM 344 C GLN A 87 -4.913 6.527 5.862 1.00 0.00 C ATOM 345 O GLN A 87 -6.117 6.313 5.720 1.00 0.00 O ATOM 346 CB GLN A 87 -4.343 8.595 7.131 1.00 0.00 C ATOM 347 CG GLN A 87 -4.070 10.086 7.073 1.00 0.00 C ATOM 348 CD GLN A 87 -4.904 10.873 8.066 1.00 0.00 C ATOM 349 OE1 GLN A 87 -5.724 11.707 7.681 1.00 0.00 O ATOM 350 NE2 GLN A 87 -4.699 10.611 9.351 1.00 0.00 N ATOM 0 H GLN A 87 -6.072 8.793 4.962 1.00 0.00 H new ATOM 0 HA GLN A 87 -3.309 7.852 5.415 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.309 8.428 7.607 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -3.591 8.120 7.761 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -3.013 10.266 7.270 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -4.273 10.449 6.066 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -4.009 9.912 9.625 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -5.231 11.109 10.064 1.00 0.00 H new ATOM 359 N LEU A 88 -4.026 5.585 6.109 1.00 0.00 N ATOM 360 CA LEU A 88 -4.394 4.183 6.238 1.00 0.00 C ATOM 361 C LEU A 88 -3.502 3.502 7.249 1.00 0.00 C ATOM 362 O LEU A 88 -2.276 3.565 7.156 1.00 0.00 O ATOM 363 CB LEU A 88 -4.272 3.446 4.904 1.00 0.00 C ATOM 364 CG LEU A 88 -4.462 4.293 3.648 1.00 0.00 C ATOM 365 CD1 LEU A 88 -3.362 3.992 2.644 1.00 0.00 C ATOM 366 CD2 LEU A 88 -5.831 4.031 3.045 1.00 0.00 C ATOM 0 H LEU A 88 -3.029 5.766 6.227 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.433 4.149 6.566 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.287 2.981 4.858 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.006 2.641 4.889 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.402 5.348 3.916 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.507 4.601 1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.393 4.221 3.087 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.396 2.937 2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.957 4.640 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.917 2.977 2.782 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.603 4.288 3.770 1.00 0.00 H new ATOM 378 N ARG A 89 -4.119 2.833 8.198 1.00 0.00 N ATOM 379 CA ARG A 89 -3.382 2.123 9.208 1.00 0.00 C ATOM 380 C ARG A 89 -2.908 0.795 8.634 1.00 0.00 C ATOM 381 O ARG A 89 -3.691 -0.139 8.454 1.00 0.00 O ATOM 382 CB ARG A 89 -4.256 1.918 10.435 1.00 0.00 C ATOM 383 CG ARG A 89 -3.684 0.916 11.398 1.00 0.00 C ATOM 384 CD ARG A 89 -4.503 0.851 12.670 1.00 0.00 C ATOM 385 NE ARG A 89 -3.742 0.287 13.780 1.00 0.00 N ATOM 386 CZ ARG A 89 -4.295 -0.286 14.848 1.00 0.00 C ATOM 387 NH1 ARG A 89 -5.616 -0.368 14.957 1.00 0.00 N ATOM 388 NH2 ARG A 89 -3.526 -0.776 15.810 1.00 0.00 N ATOM 0 H ARG A 89 -5.133 2.769 8.287 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.509 2.700 9.514 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -4.387 2.872 10.946 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -5.246 1.587 10.119 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.656 -0.068 10.930 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.655 1.184 11.638 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -4.842 1.852 12.935 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -5.394 0.248 12.497 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.724 0.334 13.735 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.213 0.009 14.221 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -6.034 -0.808 15.777 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.511 -0.714 15.733 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.949 -1.215 16.628 1.00 0.00 H new ATOM 402 N ILE A 90 -1.627 0.738 8.318 1.00 0.00 N ATOM 403 CA ILE A 90 -1.031 -0.446 7.721 1.00 0.00 C ATOM 404 C ILE A 90 -1.156 -1.667 8.615 1.00 0.00 C ATOM 405 O ILE A 90 -0.528 -1.758 9.670 1.00 0.00 O ATOM 406 CB ILE A 90 0.455 -0.214 7.369 1.00 0.00 C ATOM 407 CG1 ILE A 90 0.611 1.068 6.555 1.00 0.00 C ATOM 408 CG2 ILE A 90 1.014 -1.393 6.592 1.00 0.00 C ATOM 409 CD1 ILE A 90 -0.064 1.017 5.201 1.00 0.00 C ATOM 0 H ILE A 90 -0.972 1.506 8.466 1.00 0.00 H new ATOM 0 HA ILE A 90 -1.589 -0.637 6.804 1.00 0.00 H new ATOM 0 HB ILE A 90 1.015 -0.115 8.299 1.00 0.00 H new ATOM 0 HG12 ILE A 90 0.200 1.901 7.125 1.00 0.00 H new ATOM 0 HG13 ILE A 90 1.673 1.271 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 90 2.062 -1.208 6.355 1.00 0.00 H new ATOM 0 HG22 ILE A 90 0.932 -2.298 7.195 1.00 0.00 H new ATOM 0 HG23 ILE A 90 0.450 -1.520 5.668 1.00 0.00 H new ATOM 0 HD11 ILE A 90 0.090 1.963 4.682 1.00 0.00 H new ATOM 0 HD12 ILE A 90 0.363 0.206 4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.132 0.846 5.333 1.00 0.00 H new ATOM 421 N LEU A 91 -1.960 -2.612 8.154 1.00 0.00 N ATOM 422 CA LEU A 91 -2.177 -3.860 8.860 1.00 0.00 C ATOM 423 C LEU A 91 -1.006 -4.783 8.589 1.00 0.00 C ATOM 424 O LEU A 91 -0.416 -5.360 9.502 1.00 0.00 O ATOM 425 CB LEU A 91 -3.476 -4.493 8.374 1.00 0.00 C ATOM 426 CG LEU A 91 -4.650 -3.515 8.285 1.00 0.00 C ATOM 427 CD1 LEU A 91 -5.904 -4.195 7.766 1.00 0.00 C ATOM 428 CD2 LEU A 91 -4.908 -2.868 9.637 1.00 0.00 C ATOM 0 H LEU A 91 -2.479 -2.533 7.280 1.00 0.00 H new ATOM 0 HA LEU A 91 -2.254 -3.682 9.933 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -3.308 -4.933 7.391 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -3.745 -5.307 9.047 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.381 -2.736 7.572 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -6.717 -3.470 7.716 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.715 -4.597 6.771 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -6.182 -5.007 8.438 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -5.746 -2.176 9.555 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -5.145 -3.639 10.370 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.018 -2.325 9.956 1.00 0.00 H new ATOM 440 N GLU A 92 -0.662 -4.881 7.314 1.00 0.00 N ATOM 441 CA GLU A 92 0.457 -5.690 6.877 1.00 0.00 C ATOM 442 C GLU A 92 1.215 -4.968 5.778 1.00 0.00 C ATOM 443 O GLU A 92 0.616 -4.379 4.880 1.00 0.00 O ATOM 444 CB GLU A 92 -0.010 -7.060 6.401 1.00 0.00 C ATOM 445 CG GLU A 92 0.569 -8.187 7.230 1.00 0.00 C ATOM 446 CD GLU A 92 -0.489 -8.961 7.993 1.00 0.00 C ATOM 447 OE1 GLU A 92 -1.104 -9.871 7.398 1.00 0.00 O ATOM 448 OE2 GLU A 92 -0.703 -8.657 9.186 1.00 0.00 O ATOM 0 H GLU A 92 -1.151 -4.402 6.558 1.00 0.00 H new ATOM 0 HA GLU A 92 1.125 -5.846 7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -1.098 -7.104 6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 92 0.275 -7.196 5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 92 1.112 -8.870 6.577 1.00 0.00 H new ATOM 0 HG3 GLU A 92 1.292 -7.778 7.935 1.00 0.00 H new ATOM 455 N GLN A 93 2.534 -4.989 5.866 1.00 0.00 N ATOM 456 CA GLN A 93 3.367 -4.307 4.890 1.00 0.00 C ATOM 457 C GLN A 93 4.364 -5.260 4.251 1.00 0.00 C ATOM 458 O GLN A 93 5.496 -4.884 3.948 1.00 0.00 O ATOM 459 CB GLN A 93 4.088 -3.141 5.548 1.00 0.00 C ATOM 460 CG GLN A 93 4.438 -3.419 6.979 1.00 0.00 C ATOM 461 CD GLN A 93 4.946 -2.196 7.718 1.00 0.00 C ATOM 462 OE1 GLN A 93 4.491 -1.890 8.821 1.00 0.00 O ATOM 463 NE2 GLN A 93 5.892 -1.489 7.112 1.00 0.00 N ATOM 0 H GLN A 93 3.051 -5.470 6.602 1.00 0.00 H new ATOM 0 HA GLN A 93 2.722 -3.926 4.098 1.00 0.00 H new ATOM 0 HB2 GLN A 93 4.998 -2.919 4.991 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.458 -2.253 5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 93 3.558 -3.807 7.493 1.00 0.00 H new ATOM 0 HG3 GLN A 93 5.198 -4.199 7.015 1.00 0.00 H new ATOM 0 HE21 GLN A 93 6.239 -1.780 6.198 1.00 0.00 H new ATOM 0 HE22 GLN A 93 6.271 -0.655 7.560 1.00 0.00 H new ATOM 472 N SER A 94 3.926 -6.491 4.035 1.00 0.00 N ATOM 473 CA SER A 94 4.767 -7.501 3.415 1.00 0.00 C ATOM 474 C SER A 94 4.465 -7.587 1.925 1.00 0.00 C ATOM 475 O SER A 94 3.323 -7.817 1.525 1.00 0.00 O ATOM 476 CB SER A 94 4.548 -8.862 4.079 1.00 0.00 C ATOM 477 OG SER A 94 3.475 -8.816 5.004 1.00 0.00 O ATOM 0 H SER A 94 2.990 -6.814 4.281 1.00 0.00 H new ATOM 0 HA SER A 94 5.811 -7.216 3.549 1.00 0.00 H new ATOM 0 HB2 SER A 94 4.341 -9.612 3.316 1.00 0.00 H new ATOM 0 HB3 SER A 94 5.460 -9.170 4.591 1.00 0.00 H new ATOM 0 HG SER A 94 3.357 -9.699 5.412 1.00 0.00 H new ATOM 483 N GLY A 95 5.489 -7.391 1.106 1.00 0.00 N ATOM 484 CA GLY A 95 5.303 -7.441 -0.330 1.00 0.00 C ATOM 485 C GLY A 95 4.996 -6.090 -0.925 1.00 0.00 C ATOM 486 O GLY A 95 4.558 -5.172 -0.229 1.00 0.00 O ATOM 0 H GLY A 95 6.444 -7.199 1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.204 -7.842 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 95 4.490 -8.129 -0.563 1.00 0.00 H new ATOM 490 N GLU A 96 5.222 -5.976 -2.226 1.00 0.00 N ATOM 491 CA GLU A 96 4.972 -4.744 -2.955 1.00 0.00 C ATOM 492 C GLU A 96 3.575 -4.189 -2.651 1.00 0.00 C ATOM 493 O GLU A 96 3.312 -3.006 -2.855 1.00 0.00 O ATOM 494 CB GLU A 96 5.140 -5.001 -4.448 1.00 0.00 C ATOM 495 CG GLU A 96 4.175 -4.219 -5.289 1.00 0.00 C ATOM 496 CD GLU A 96 4.445 -4.343 -6.776 1.00 0.00 C ATOM 497 OE1 GLU A 96 4.579 -5.486 -7.262 1.00 0.00 O ATOM 498 OE2 GLU A 96 4.523 -3.297 -7.455 1.00 0.00 O ATOM 0 H GLU A 96 5.583 -6.735 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 96 5.694 -3.993 -2.634 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.158 -4.748 -4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.006 -6.065 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 96 3.161 -4.560 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 96 4.223 -3.168 -5.004 1.00 0.00 H new ATOM 505 N TRP A 97 2.682 -5.044 -2.166 1.00 0.00 N ATOM 506 CA TRP A 97 1.326 -4.622 -1.840 1.00 0.00 C ATOM 507 C TRP A 97 1.092 -4.701 -0.333 1.00 0.00 C ATOM 508 O TRP A 97 1.118 -5.783 0.253 1.00 0.00 O ATOM 509 CB TRP A 97 0.316 -5.488 -2.585 1.00 0.00 C ATOM 510 CG TRP A 97 0.170 -5.103 -4.025 1.00 0.00 C ATOM 511 CD1 TRP A 97 0.925 -5.546 -5.073 1.00 0.00 C ATOM 512 CD2 TRP A 97 -0.782 -4.187 -4.574 1.00 0.00 C ATOM 513 NE1 TRP A 97 0.504 -4.955 -6.239 1.00 0.00 N ATOM 514 CE2 TRP A 97 -0.544 -4.118 -5.960 1.00 0.00 C ATOM 515 CE3 TRP A 97 -1.812 -3.419 -4.029 1.00 0.00 C ATOM 516 CZ2 TRP A 97 -1.298 -3.307 -6.804 1.00 0.00 C ATOM 517 CZ3 TRP A 97 -2.559 -2.616 -4.865 1.00 0.00 C ATOM 518 CH2 TRP A 97 -2.300 -2.564 -6.240 1.00 0.00 C ATOM 0 H TRP A 97 2.872 -6.031 -1.990 1.00 0.00 H new ATOM 0 HA TRP A 97 1.195 -3.586 -2.153 1.00 0.00 H new ATOM 0 HB2 TRP A 97 0.624 -6.532 -2.522 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -0.654 -5.411 -2.093 1.00 0.00 H new ATOM 0 HD1 TRP A 97 1.734 -6.257 -4.996 1.00 0.00 H new ATOM 0 HE1 TRP A 97 0.906 -5.114 -7.163 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -2.021 -3.453 -2.970 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -1.100 -3.266 -7.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -3.357 -2.017 -4.452 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -2.903 -1.925 -6.868 1.00 0.00 H new ATOM 529 N TRP A 98 0.881 -3.544 0.291 1.00 0.00 N ATOM 530 CA TRP A 98 0.664 -3.483 1.732 1.00 0.00 C ATOM 531 C TRP A 98 -0.813 -3.445 2.094 1.00 0.00 C ATOM 532 O TRP A 98 -1.606 -2.746 1.463 1.00 0.00 O ATOM 533 CB TRP A 98 1.347 -2.252 2.323 1.00 0.00 C ATOM 534 CG TRP A 98 2.840 -2.352 2.356 1.00 0.00 C ATOM 535 CD1 TRP A 98 3.610 -3.359 1.853 1.00 0.00 C ATOM 536 CD2 TRP A 98 3.741 -1.411 2.938 1.00 0.00 C ATOM 537 NE1 TRP A 98 4.939 -3.100 2.088 1.00 0.00 N ATOM 538 CE2 TRP A 98 5.044 -1.903 2.751 1.00 0.00 C ATOM 539 CE3 TRP A 98 3.566 -0.196 3.596 1.00 0.00 C ATOM 540 CZ2 TRP A 98 6.169 -1.217 3.203 1.00 0.00 C ATOM 541 CZ3 TRP A 98 4.679 0.487 4.045 1.00 0.00 C ATOM 542 CH2 TRP A 98 5.968 -0.024 3.844 1.00 0.00 C ATOM 0 H TRP A 98 0.856 -2.639 -0.179 1.00 0.00 H new ATOM 0 HA TRP A 98 1.096 -4.392 2.150 1.00 0.00 H new ATOM 0 HB2 TRP A 98 1.063 -1.375 1.741 1.00 0.00 H new ATOM 0 HB3 TRP A 98 0.979 -2.095 3.337 1.00 0.00 H new ATOM 0 HD1 TRP A 98 3.231 -4.233 1.344 1.00 0.00 H new ATOM 0 HE1 TRP A 98 5.718 -3.698 1.815 1.00 0.00 H new ATOM 0 HE3 TRP A 98 2.576 0.206 3.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 7.163 -1.612 3.053 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 4.554 1.429 4.559 1.00 0.00 H new ATOM 0 HH2 TRP A 98 6.820 0.534 4.202 1.00 0.00 H new ATOM 553 N LYS A 99 -1.163 -4.177 3.144 1.00 0.00 N ATOM 554 CA LYS A 99 -2.528 -4.209 3.638 1.00 0.00 C ATOM 555 C LYS A 99 -2.736 -3.044 4.593 1.00 0.00 C ATOM 556 O LYS A 99 -2.134 -3.002 5.664 1.00 0.00 O ATOM 557 CB LYS A 99 -2.803 -5.531 4.362 1.00 0.00 C ATOM 558 CG LYS A 99 -4.165 -5.595 5.037 1.00 0.00 C ATOM 559 CD LYS A 99 -5.218 -4.883 4.222 1.00 0.00 C ATOM 560 CE LYS A 99 -6.618 -5.316 4.622 1.00 0.00 C ATOM 561 NZ LYS A 99 -7.331 -6.002 3.509 1.00 0.00 N ATOM 0 H LYS A 99 -0.513 -4.760 3.671 1.00 0.00 H new ATOM 0 HA LYS A 99 -3.217 -4.126 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.725 -6.349 3.646 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.029 -5.690 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -4.454 -6.636 5.178 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -4.103 -5.145 6.028 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -5.117 -3.806 4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -5.061 -5.089 3.163 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.559 -5.985 5.481 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.191 -4.444 4.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.297 -5.624 3.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -6.821 -5.839 2.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -7.374 -7.023 3.701 1.00 0.00 H new ATOM 575 N ALA A 100 -3.574 -2.093 4.206 1.00 0.00 N ATOM 576 CA ALA A 100 -3.823 -0.932 5.048 1.00 0.00 C ATOM 577 C ALA A 100 -5.281 -0.825 5.436 1.00 0.00 C ATOM 578 O ALA A 100 -6.173 -1.108 4.638 1.00 0.00 O ATOM 579 CB ALA A 100 -3.389 0.346 4.348 1.00 0.00 C ATOM 0 H ALA A 100 -4.088 -2.101 3.325 1.00 0.00 H new ATOM 0 HA ALA A 100 -3.234 -1.064 5.956 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -3.585 1.200 4.996 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -2.323 0.295 4.126 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -3.948 0.460 3.419 1.00 0.00 H new ATOM 585 N GLN A 101 -5.517 -0.370 6.656 1.00 0.00 N ATOM 586 CA GLN A 101 -6.865 -0.175 7.132 1.00 0.00 C ATOM 587 C GLN A 101 -7.120 1.312 7.227 1.00 0.00 C ATOM 588 O GLN A 101 -6.548 2.001 8.071 1.00 0.00 O ATOM 589 CB GLN A 101 -7.088 -0.842 8.487 1.00 0.00 C ATOM 590 CG GLN A 101 -8.426 -0.507 9.102 1.00 0.00 C ATOM 591 CD GLN A 101 -8.500 -0.842 10.577 1.00 0.00 C ATOM 592 OE1 GLN A 101 -9.022 -1.888 10.964 1.00 0.00 O ATOM 593 NE2 GLN A 101 -7.976 0.048 11.412 1.00 0.00 N ATOM 0 H GLN A 101 -4.789 -0.131 7.329 1.00 0.00 H new ATOM 0 HA GLN A 101 -7.562 -0.638 6.434 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -7.010 -1.923 8.370 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.295 -0.537 9.170 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.626 0.556 8.966 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -9.209 -1.049 8.572 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -7.553 0.902 11.048 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -7.996 -0.122 12.417 1.00 0.00 H new ATOM 602 N SER A 102 -7.974 1.805 6.353 1.00 0.00 N ATOM 603 CA SER A 102 -8.300 3.210 6.325 1.00 0.00 C ATOM 604 C SER A 102 -8.656 3.691 7.723 1.00 0.00 C ATOM 605 O SER A 102 -8.830 2.886 8.638 1.00 0.00 O ATOM 606 CB SER A 102 -9.447 3.431 5.354 1.00 0.00 C ATOM 607 OG SER A 102 -9.020 4.140 4.203 1.00 0.00 O ATOM 0 H SER A 102 -8.456 1.246 5.649 1.00 0.00 H new ATOM 0 HA SER A 102 -7.439 3.787 5.987 1.00 0.00 H new ATOM 0 HB2 SER A 102 -9.865 2.469 5.057 1.00 0.00 H new ATOM 0 HB3 SER A 102 -10.244 3.985 5.850 1.00 0.00 H new ATOM 0 HG SER A 102 -9.779 4.266 3.596 1.00 0.00 H new ATOM 613 N LEU A 103 -8.733 4.996 7.900 1.00 0.00 N ATOM 614 CA LEU A 103 -9.045 5.547 9.210 1.00 0.00 C ATOM 615 C LEU A 103 -10.236 6.491 9.162 1.00 0.00 C ATOM 616 O LEU A 103 -10.921 6.690 10.166 1.00 0.00 O ATOM 617 CB LEU A 103 -7.818 6.232 9.779 1.00 0.00 C ATOM 618 CG LEU A 103 -6.753 5.248 10.264 1.00 0.00 C ATOM 619 CD1 LEU A 103 -5.681 5.081 9.208 1.00 0.00 C ATOM 620 CD2 LEU A 103 -6.144 5.680 11.588 1.00 0.00 C ATOM 0 H LEU A 103 -8.586 5.689 7.166 1.00 0.00 H new ATOM 0 HA LEU A 103 -9.329 4.726 9.868 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -7.385 6.880 9.017 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -8.118 6.872 10.609 1.00 0.00 H new ATOM 0 HG LEU A 103 -7.238 4.286 10.433 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -4.927 4.378 9.563 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -6.130 4.699 8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.213 6.045 9.009 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -5.392 4.954 11.897 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -5.677 6.658 11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.925 5.738 12.346 1.00 0.00 H new ATOM 632 N THR A 104 -10.500 7.044 7.992 1.00 0.00 N ATOM 633 CA THR A 104 -11.629 7.929 7.814 1.00 0.00 C ATOM 634 C THR A 104 -12.879 7.094 7.584 1.00 0.00 C ATOM 635 O THR A 104 -13.956 7.375 8.109 1.00 0.00 O ATOM 636 CB THR A 104 -11.381 8.843 6.623 1.00 0.00 C ATOM 637 OG1 THR A 104 -10.016 9.213 6.547 1.00 0.00 O ATOM 638 CG2 THR A 104 -12.195 10.099 6.683 1.00 0.00 C ATOM 0 H THR A 104 -9.944 6.893 7.150 1.00 0.00 H new ATOM 0 HA THR A 104 -11.763 8.544 8.704 1.00 0.00 H new ATOM 0 HB THR A 104 -11.676 8.272 5.743 1.00 0.00 H new ATOM 0 HG1 THR A 104 -9.664 8.984 5.662 1.00 0.00 H new ATOM 0 HG21 THR A 104 -11.979 10.714 5.810 1.00 0.00 H new ATOM 0 HG22 THR A 104 -13.255 9.845 6.695 1.00 0.00 H new ATOM 0 HG23 THR A 104 -11.944 10.652 7.588 1.00 0.00 H new ATOM 646 N THR A 105 -12.690 6.050 6.795 1.00 0.00 N ATOM 647 CA THR A 105 -13.735 5.104 6.449 1.00 0.00 C ATOM 648 C THR A 105 -13.467 3.780 7.147 1.00 0.00 C ATOM 649 O THR A 105 -14.374 3.069 7.579 1.00 0.00 O ATOM 650 CB THR A 105 -13.720 4.888 4.944 1.00 0.00 C ATOM 651 OG1 THR A 105 -12.891 3.791 4.598 1.00 0.00 O ATOM 652 CG2 THR A 105 -13.224 6.090 4.169 1.00 0.00 C ATOM 0 H THR A 105 -11.789 5.833 6.369 1.00 0.00 H new ATOM 0 HA THR A 105 -14.705 5.490 6.762 1.00 0.00 H new ATOM 0 HB THR A 105 -14.760 4.701 4.675 1.00 0.00 H new ATOM 0 HG1 THR A 105 -12.387 4.005 3.785 1.00 0.00 H new ATOM 0 HG21 THR A 105 -13.239 5.867 3.102 1.00 0.00 H new ATOM 0 HG22 THR A 105 -13.870 6.945 4.370 1.00 0.00 H new ATOM 0 HG23 THR A 105 -12.205 6.325 4.476 1.00 0.00 H new ATOM 660 N GLY A 106 -12.185 3.486 7.231 1.00 0.00 N ATOM 661 CA GLY A 106 -11.686 2.286 7.844 1.00 0.00 C ATOM 662 C GLY A 106 -11.740 1.082 6.934 1.00 0.00 C ATOM 663 O GLY A 106 -11.340 -0.014 7.326 1.00 0.00 O ATOM 0 H GLY A 106 -11.451 4.092 6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -10.655 2.449 8.158 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -12.265 2.079 8.744 1.00 0.00 H new ATOM 667 N GLN A 107 -12.215 1.277 5.709 1.00 0.00 N ATOM 668 CA GLN A 107 -12.292 0.203 4.752 1.00 0.00 C ATOM 669 C GLN A 107 -10.958 -0.509 4.626 1.00 0.00 C ATOM 670 O GLN A 107 -9.933 0.104 4.330 1.00 0.00 O ATOM 671 CB GLN A 107 -12.747 0.755 3.425 1.00 0.00 C ATOM 672 CG GLN A 107 -14.250 0.832 3.344 1.00 0.00 C ATOM 673 CD GLN A 107 -14.784 2.236 3.540 1.00 0.00 C ATOM 674 OE1 GLN A 107 -15.411 2.538 4.557 1.00 0.00 O ATOM 675 NE2 GLN A 107 -14.540 3.104 2.565 1.00 0.00 N ATOM 0 H GLN A 107 -12.551 2.176 5.364 1.00 0.00 H new ATOM 0 HA GLN A 107 -13.017 -0.535 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -12.322 1.748 3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -12.370 0.125 2.619 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -14.575 0.458 2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -14.683 0.176 4.099 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -14.017 2.811 1.740 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -14.876 4.064 2.641 1.00 0.00 H new ATOM 684 N GLU A 108 -10.984 -1.805 4.878 1.00 0.00 N ATOM 685 CA GLU A 108 -9.777 -2.617 4.822 1.00 0.00 C ATOM 686 C GLU A 108 -9.539 -3.167 3.422 1.00 0.00 C ATOM 687 O GLU A 108 -10.480 -3.516 2.709 1.00 0.00 O ATOM 688 CB GLU A 108 -9.864 -3.760 5.830 1.00 0.00 C ATOM 689 CG GLU A 108 -10.112 -3.294 7.251 1.00 0.00 C ATOM 690 CD GLU A 108 -11.272 -4.016 7.911 1.00 0.00 C ATOM 691 OE1 GLU A 108 -12.311 -4.205 7.243 1.00 0.00 O ATOM 692 OE2 GLU A 108 -11.141 -4.391 9.095 1.00 0.00 O ATOM 0 H GLU A 108 -11.829 -2.321 5.124 1.00 0.00 H new ATOM 0 HA GLU A 108 -8.932 -1.978 5.077 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -10.665 -4.436 5.533 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -8.937 -4.332 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 108 -9.210 -3.449 7.842 1.00 0.00 H new ATOM 0 HG3 GLU A 108 -10.311 -2.222 7.248 1.00 0.00 H new ATOM 699 N GLY A 109 -8.269 -3.243 3.037 1.00 0.00 N ATOM 700 CA GLY A 109 -7.918 -3.750 1.727 1.00 0.00 C ATOM 701 C GLY A 109 -6.435 -3.629 1.443 1.00 0.00 C ATOM 702 O GLY A 109 -5.682 -3.092 2.254 1.00 0.00 O ATOM 0 H GLY A 109 -7.476 -2.961 3.613 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -8.216 -4.796 1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.477 -3.205 0.967 1.00 0.00 H new ATOM 706 N PHE A 110 -6.018 -4.127 0.287 1.00 0.00 N ATOM 707 CA PHE A 110 -4.625 -4.080 -0.111 1.00 0.00 C ATOM 708 C PHE A 110 -4.318 -2.777 -0.839 1.00 0.00 C ATOM 709 O PHE A 110 -5.150 -2.265 -1.587 1.00 0.00 O ATOM 710 CB PHE A 110 -4.312 -5.274 -1.008 1.00 0.00 C ATOM 711 CG PHE A 110 -3.722 -6.441 -0.270 1.00 0.00 C ATOM 712 CD1 PHE A 110 -4.330 -6.931 0.876 1.00 0.00 C ATOM 713 CD2 PHE A 110 -2.561 -7.047 -0.721 1.00 0.00 C ATOM 714 CE1 PHE A 110 -3.790 -8.005 1.557 1.00 0.00 C ATOM 715 CE2 PHE A 110 -2.016 -8.122 -0.043 1.00 0.00 C ATOM 716 CZ PHE A 110 -2.631 -8.601 1.097 1.00 0.00 C ATOM 0 H PHE A 110 -6.634 -4.571 -0.394 1.00 0.00 H new ATOM 0 HA PHE A 110 -4.000 -4.125 0.781 1.00 0.00 H new ATOM 0 HB2 PHE A 110 -5.228 -5.594 -1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 110 -3.619 -4.960 -1.788 1.00 0.00 H new ATOM 0 HD1 PHE A 110 -5.235 -6.468 1.240 1.00 0.00 H new ATOM 0 HD2 PHE A 110 -2.076 -6.676 -1.612 1.00 0.00 H new ATOM 0 HE1 PHE A 110 -4.273 -8.378 2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 110 -1.110 -8.586 -0.405 1.00 0.00 H new ATOM 0 HZ PHE A 110 -2.207 -9.440 1.628 1.00 0.00 H new ATOM 726 N ILE A 111 -3.127 -2.238 -0.613 1.00 0.00 N ATOM 727 CA ILE A 111 -2.734 -0.989 -1.247 1.00 0.00 C ATOM 728 C ILE A 111 -1.296 -1.029 -1.752 1.00 0.00 C ATOM 729 O ILE A 111 -0.415 -1.625 -1.132 1.00 0.00 O ATOM 730 CB ILE A 111 -2.875 0.202 -0.278 1.00 0.00 C ATOM 731 CG1 ILE A 111 -1.946 0.007 0.924 1.00 0.00 C ATOM 732 CG2 ILE A 111 -4.320 0.365 0.163 1.00 0.00 C ATOM 733 CD1 ILE A 111 -1.464 1.299 1.545 1.00 0.00 C ATOM 0 H ILE A 111 -2.421 -2.644 0.001 1.00 0.00 H new ATOM 0 HA ILE A 111 -3.407 -0.859 -2.095 1.00 0.00 H new ATOM 0 HB ILE A 111 -2.583 1.117 -0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -2.468 -0.576 1.683 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -1.081 -0.578 0.611 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -4.399 1.211 0.846 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -4.949 0.544 -0.709 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -4.651 -0.542 0.669 1.00 0.00 H new ATOM 0 HD11 ILE A 111 -0.812 1.076 2.389 1.00 0.00 H new ATOM 0 HD12 ILE A 111 -0.912 1.876 0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -2.320 1.878 1.891 1.00 0.00 H new ATOM 745 N PRO A 112 -1.049 -0.360 -2.882 1.00 0.00 N ATOM 746 CA PRO A 112 0.275 -0.269 -3.482 1.00 0.00 C ATOM 747 C PRO A 112 1.296 0.276 -2.486 1.00 0.00 C ATOM 748 O PRO A 112 1.175 1.409 -2.021 1.00 0.00 O ATOM 749 CB PRO A 112 0.086 0.708 -4.652 1.00 0.00 C ATOM 750 CG PRO A 112 -1.238 1.353 -4.422 1.00 0.00 C ATOM 751 CD PRO A 112 -2.050 0.379 -3.640 1.00 0.00 C ATOM 0 HA PRO A 112 0.655 -1.241 -3.798 1.00 0.00 H new ATOM 0 HB2 PRO A 112 0.885 1.449 -4.677 1.00 0.00 H new ATOM 0 HB3 PRO A 112 0.107 0.184 -5.608 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -1.124 2.290 -3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -1.723 1.592 -5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -2.760 0.882 -2.984 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -2.627 -0.278 -4.291 1.00 0.00 H new ATOM 759 N PHE A 113 2.285 -0.541 -2.145 1.00 0.00 N ATOM 760 CA PHE A 113 3.309 -0.141 -1.182 1.00 0.00 C ATOM 761 C PHE A 113 4.007 1.161 -1.590 1.00 0.00 C ATOM 762 O PHE A 113 4.614 1.830 -0.754 1.00 0.00 O ATOM 763 CB PHE A 113 4.335 -1.268 -1.001 1.00 0.00 C ATOM 764 CG PHE A 113 5.396 -1.318 -2.069 1.00 0.00 C ATOM 765 CD1 PHE A 113 5.074 -1.104 -3.401 1.00 0.00 C ATOM 766 CD2 PHE A 113 6.716 -1.577 -1.737 1.00 0.00 C ATOM 767 CE1 PHE A 113 6.049 -1.147 -4.379 1.00 0.00 C ATOM 768 CE2 PHE A 113 7.695 -1.621 -2.711 1.00 0.00 C ATOM 769 CZ PHE A 113 7.361 -1.407 -4.034 1.00 0.00 C ATOM 0 H PHE A 113 2.402 -1.483 -2.519 1.00 0.00 H new ATOM 0 HA PHE A 113 2.810 0.046 -0.231 1.00 0.00 H new ATOM 0 HB2 PHE A 113 4.818 -1.151 -0.031 1.00 0.00 H new ATOM 0 HB3 PHE A 113 3.809 -2.223 -0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 113 4.050 -0.901 -3.677 1.00 0.00 H new ATOM 0 HD2 PHE A 113 6.983 -1.747 -0.704 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.785 -0.977 -5.413 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.720 -1.823 -2.438 1.00 0.00 H new ATOM 0 HZ PHE A 113 8.124 -1.443 -4.797 1.00 0.00 H new ATOM 779 N ASN A 114 3.923 1.517 -2.870 1.00 0.00 N ATOM 780 CA ASN A 114 4.554 2.738 -3.362 1.00 0.00 C ATOM 781 C ASN A 114 3.528 3.853 -3.545 1.00 0.00 C ATOM 782 O ASN A 114 3.642 4.671 -4.459 1.00 0.00 O ATOM 783 CB ASN A 114 5.269 2.465 -4.686 1.00 0.00 C ATOM 784 CG ASN A 114 4.415 1.672 -5.657 1.00 0.00 C ATOM 785 OD1 ASN A 114 3.873 0.624 -5.310 1.00 0.00 O ATOM 786 ND2 ASN A 114 4.293 2.171 -6.881 1.00 0.00 N ATOM 0 H ASN A 114 3.427 0.980 -3.581 1.00 0.00 H new ATOM 0 HA ASN A 114 5.283 3.063 -2.620 1.00 0.00 H new ATOM 0 HB2 ASN A 114 5.550 3.413 -5.145 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.192 1.919 -4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 114 3.731 1.681 -7.578 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.761 3.044 -7.125 1.00 0.00 H new ATOM 793 N PHE A 115 2.523 3.873 -2.678 1.00 0.00 N ATOM 794 CA PHE A 115 1.466 4.878 -2.745 1.00 0.00 C ATOM 795 C PHE A 115 1.376 5.686 -1.454 1.00 0.00 C ATOM 796 O PHE A 115 0.960 6.845 -1.466 1.00 0.00 O ATOM 797 CB PHE A 115 0.124 4.190 -2.988 1.00 0.00 C ATOM 798 CG PHE A 115 -0.677 4.760 -4.123 1.00 0.00 C ATOM 799 CD1 PHE A 115 -1.430 5.910 -3.951 1.00 0.00 C ATOM 800 CD2 PHE A 115 -0.700 4.128 -5.354 1.00 0.00 C ATOM 801 CE1 PHE A 115 -2.189 6.417 -4.987 1.00 0.00 C ATOM 802 CE2 PHE A 115 -1.454 4.631 -6.393 1.00 0.00 C ATOM 803 CZ PHE A 115 -2.201 5.777 -6.209 1.00 0.00 C ATOM 0 H PHE A 115 2.417 3.202 -1.917 1.00 0.00 H new ATOM 0 HA PHE A 115 1.704 5.558 -3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 115 0.303 3.133 -3.183 1.00 0.00 H new ATOM 0 HB3 PHE A 115 -0.470 4.250 -2.076 1.00 0.00 H new ATOM 0 HD1 PHE A 115 -1.423 6.415 -2.997 1.00 0.00 H new ATOM 0 HD2 PHE A 115 -0.120 3.229 -5.503 1.00 0.00 H new ATOM 0 HE1 PHE A 115 -2.773 7.314 -4.841 1.00 0.00 H new ATOM 0 HE2 PHE A 115 -1.460 4.129 -7.349 1.00 0.00 H new ATOM 0 HZ PHE A 115 -2.794 6.172 -7.021 1.00 0.00 H new ATOM 813 N VAL A 116 1.723 5.055 -0.337 1.00 0.00 N ATOM 814 CA VAL A 116 1.630 5.711 0.961 1.00 0.00 C ATOM 815 C VAL A 116 2.987 6.040 1.573 1.00 0.00 C ATOM 816 O VAL A 116 3.963 5.309 1.405 1.00 0.00 O ATOM 817 CB VAL A 116 0.841 4.843 1.956 1.00 0.00 C ATOM 818 CG1 VAL A 116 -0.589 4.664 1.479 1.00 0.00 C ATOM 819 CG2 VAL A 116 1.521 3.492 2.158 1.00 0.00 C ATOM 0 H VAL A 116 2.069 4.096 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 116 1.111 6.651 0.775 1.00 0.00 H new ATOM 0 HB VAL A 116 0.822 5.353 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.136 4.048 2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -1.070 5.639 1.398 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -0.589 4.177 0.504 1.00 0.00 H new ATOM 0 HG21 VAL A 116 0.944 2.897 2.866 1.00 0.00 H new ATOM 0 HG22 VAL A 116 1.578 2.967 1.204 1.00 0.00 H new ATOM 0 HG23 VAL A 116 2.527 3.646 2.549 1.00 0.00 H new ATOM 829 N ALA A 117 3.011 7.146 2.312 1.00 0.00 N ATOM 830 CA ALA A 117 4.205 7.606 3.002 1.00 0.00 C ATOM 831 C ALA A 117 3.832 8.030 4.418 1.00 0.00 C ATOM 832 O ALA A 117 2.779 8.628 4.629 1.00 0.00 O ATOM 833 CB ALA A 117 4.849 8.760 2.247 1.00 0.00 C ATOM 0 H ALA A 117 2.199 7.748 2.447 1.00 0.00 H new ATOM 0 HA ALA A 117 4.930 6.794 3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 117 5.741 9.090 2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 117 5.125 8.430 1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 117 4.143 9.587 2.175 1.00 0.00 H new ATOM 839 N LYS A 118 4.680 7.703 5.388 1.00 0.00 N ATOM 840 CA LYS A 118 4.414 8.034 6.790 1.00 0.00 C ATOM 841 C LYS A 118 3.789 9.419 6.940 1.00 0.00 C ATOM 842 O LYS A 118 4.173 10.362 6.250 1.00 0.00 O ATOM 843 CB LYS A 118 5.709 7.959 7.606 1.00 0.00 C ATOM 844 CG LYS A 118 5.733 6.823 8.619 1.00 0.00 C ATOM 845 CD LYS A 118 5.146 5.548 8.040 1.00 0.00 C ATOM 846 CE LYS A 118 5.775 4.308 8.653 1.00 0.00 C ATOM 847 NZ LYS A 118 5.010 3.823 9.835 1.00 0.00 N ATOM 0 H LYS A 118 5.559 7.209 5.232 1.00 0.00 H new ATOM 0 HA LYS A 118 3.700 7.302 7.168 1.00 0.00 H new ATOM 0 HB2 LYS A 118 6.551 7.842 6.924 1.00 0.00 H new ATOM 0 HB3 LYS A 118 5.852 8.904 8.130 1.00 0.00 H new ATOM 0 HG2 LYS A 118 6.759 6.640 8.938 1.00 0.00 H new ATOM 0 HG3 LYS A 118 5.170 7.113 9.506 1.00 0.00 H new ATOM 0 HD2 LYS A 118 4.070 5.533 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 118 5.296 5.536 6.960 1.00 0.00 H new ATOM 0 HE2 LYS A 118 5.824 3.518 7.904 1.00 0.00 H new ATOM 0 HE3 LYS A 118 6.800 4.530 8.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 5.472 2.976 10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 4.984 4.567 10.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 4.039 3.586 9.547 1.00 0.00 H new ATOM 861 N ALA A 119 2.822 9.526 7.850 1.00 0.00 N ATOM 862 CA ALA A 119 2.137 10.797 8.101 1.00 0.00 C ATOM 863 C ALA A 119 3.066 11.789 8.796 1.00 0.00 C ATOM 864 O ALA A 119 2.716 12.367 9.826 1.00 0.00 O ATOM 865 CB ALA A 119 0.876 10.585 8.937 1.00 0.00 C ATOM 0 H ALA A 119 2.494 8.750 8.426 1.00 0.00 H new ATOM 0 HA ALA A 119 1.846 11.211 7.135 1.00 0.00 H new ATOM 0 HB1 ALA A 119 0.387 11.544 9.108 1.00 0.00 H new ATOM 0 HB2 ALA A 119 0.195 9.921 8.406 1.00 0.00 H new ATOM 0 HB3 ALA A 119 1.145 10.139 9.894 1.00 0.00 H new ATOM 871 N ASN A 120 4.250 11.983 8.227 1.00 0.00 N ATOM 872 CA ASN A 120 5.228 12.906 8.791 1.00 0.00 C ATOM 873 C ASN A 120 5.460 14.090 7.859 1.00 0.00 C ATOM 874 O ASN A 120 5.365 15.242 8.332 1.00 0.00 O ATOM 875 CB ASN A 120 6.549 12.180 9.057 1.00 0.00 C ATOM 876 CG ASN A 120 7.073 12.426 10.458 1.00 0.00 C ATOM 877 OD1 ASN A 120 7.041 11.537 11.309 1.00 0.00 O ATOM 878 ND2 ASN A 120 7.557 13.636 10.707 1.00 0.00 N ATOM 879 OXT ASN A 120 5.735 13.856 6.664 1.00 0.00 O ATOM 0 H ASN A 120 4.556 11.513 7.375 1.00 0.00 H new ATOM 0 HA ASN A 120 4.834 13.284 9.734 1.00 0.00 H new ATOM 0 HB2 ASN A 120 6.408 11.109 8.908 1.00 0.00 H new ATOM 0 HB3 ASN A 120 7.293 12.508 8.331 1.00 0.00 H new ATOM 0 HD21 ASN A 120 7.922 13.859 11.633 1.00 0.00 H new ATOM 0 HD22 ASN A 120 7.564 14.343 9.972 1.00 0.00 H new