USER MOD reduce.3.24.130724 H: found=0, std=0, add=485, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 0 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 30 HIS : no HD1:sc= 0 X(o=-0.9,f=-0.93) USER MOD Set 1.2: A 35 SER OG : rot -160:sc= 0 USER MOD Set 1.3: A 37 SER OG : rot 150:sc= -0.895 USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 19 ASN : amide:sc= 0 K(o=0,f=-1.9) USER MOD Single : A 20 SER OG : rot 125:sc= 1.81 USER MOD Single : A 22 GLN : amide:sc= 0.428 K(o=0.43,f=-4.7!) USER MOD Single : A 24 LYS NZ :NH3+ 178:sc= 0.00086 (180deg=0.000766) USER MOD Single : A 25 SER OG : rot -121:sc= 1.25 USER MOD Single : A 26 ASN : amide:sc= -0.056 X(o=-0.056,f=-0.08) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -26:sc= 1.24 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 60:sc= 0.927 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 169:sc= 0 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 120:sc= 0.00235 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 89 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 69 N ASN A 10 -9.943 -10.664 4.585 1.00 0.00 N ATOM 70 CA ASN A 10 -10.058 -11.061 3.145 1.00 0.00 C ATOM 71 C ASN A 10 -11.120 -10.236 2.328 1.00 0.00 C ATOM 72 O ASN A 10 -12.274 -10.639 2.159 1.00 0.00 O ATOM 73 CB ASN A 10 -10.238 -12.594 2.898 1.00 0.00 C ATOM 74 CG ASN A 10 -9.097 -13.473 3.387 1.00 0.00 C ATOM 75 OD1 ASN A 10 -8.019 -13.521 2.810 1.00 0.00 O ATOM 76 ND2 ASN A 10 -9.296 -14.195 4.454 1.00 0.00 N ATOM 0 HA ASN A 10 -9.075 -10.797 2.754 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -11.158 -12.918 3.385 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -10.369 -12.759 1.829 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.554 -14.799 4.807 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -10.194 -14.156 4.936 1.00 0.00 H new ATOM 77 N LEU A 11 -10.694 -9.088 1.770 1.00 0.00 N ATOM 78 CA LEU A 11 -11.516 -8.264 0.833 1.00 0.00 C ATOM 79 C LEU A 11 -10.625 -7.750 -0.358 1.00 0.00 C ATOM 80 O LEU A 11 -9.399 -7.645 -0.269 1.00 0.00 O ATOM 81 CB LEU A 11 -12.347 -7.203 1.614 1.00 0.00 C ATOM 82 CG LEU A 11 -11.657 -5.876 2.030 1.00 0.00 C ATOM 83 CD1 LEU A 11 -12.125 -4.692 1.181 1.00 0.00 C ATOM 84 CD2 LEU A 11 -11.883 -5.546 3.512 1.00 0.00 C ATOM 0 H LEU A 11 -9.770 -8.696 1.950 1.00 0.00 H new ATOM 0 HA LEU A 11 -12.283 -8.865 0.344 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.214 -6.948 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.723 -7.679 2.520 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.592 -6.035 1.861 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -11.615 -3.786 1.508 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.892 -4.881 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.201 -4.565 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.382 -4.609 3.757 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.951 -5.447 3.704 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.476 -6.347 4.129 1.00 0.00 H new ATOM 85 N ASP A 12 -11.226 -7.452 -1.513 1.00 0.00 N ATOM 86 CA ASP A 12 -10.460 -7.091 -2.741 1.00 0.00 C ATOM 87 C ASP A 12 -9.915 -5.625 -2.765 1.00 0.00 C ATOM 88 O ASP A 12 -10.322 -4.746 -1.998 1.00 0.00 O ATOM 89 CB ASP A 12 -11.388 -7.383 -3.954 1.00 0.00 C ATOM 90 CG ASP A 12 -11.553 -8.866 -4.282 1.00 0.00 C ATOM 91 OD1 ASP A 12 -10.568 -9.320 -5.112 1.00 0.00 O ATOM 92 OD2 ASP A 12 -12.454 -9.563 -3.831 1.00 0.00 O ATOM 0 H ASP A 12 -12.238 -7.449 -1.638 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.553 -7.695 -2.774 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -12.371 -6.956 -3.754 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.991 -6.872 -4.831 1.00 0.00 H new ATOM 93 N GLU A 13 -8.959 -5.376 -3.678 1.00 0.00 N ATOM 94 CA GLU A 13 -8.424 -4.008 -3.911 1.00 0.00 C ATOM 95 C GLU A 13 -9.470 -3.130 -4.692 1.00 0.00 C ATOM 96 O GLU A 13 -10.282 -3.621 -5.486 1.00 0.00 O ATOM 97 CB GLU A 13 -6.997 -4.134 -4.515 1.00 0.00 C ATOM 98 CG GLU A 13 -6.790 -4.085 -6.047 1.00 0.00 C ATOM 99 CD GLU A 13 -7.395 -5.229 -6.869 1.00 0.00 C ATOM 100 OE1 GLU A 13 -7.805 -6.291 -6.405 1.00 0.00 O ATOM 101 OE2 GLU A 13 -7.423 -4.933 -8.194 1.00 0.00 O ATOM 0 H GLU A 13 -8.538 -6.095 -4.267 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.289 -3.446 -2.987 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.392 -3.337 -4.082 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -6.580 -5.078 -4.163 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -7.206 -3.147 -6.415 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -5.718 -4.057 -6.243 1.00 0.00 H new ATOM 102 N GLY A 14 -9.439 -1.819 -4.449 1.00 0.00 N ATOM 103 CA GLY A 14 -10.489 -0.880 -4.957 1.00 0.00 C ATOM 104 C GLY A 14 -11.730 -0.716 -4.022 1.00 0.00 C ATOM 105 O GLY A 14 -12.809 -0.342 -4.480 1.00 0.00 O ATOM 0 H GLY A 14 -8.705 -1.365 -3.905 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -10.036 0.099 -5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -10.830 -1.231 -5.931 1.00 0.00 H new ATOM 106 N GLU A 15 -11.558 -0.967 -2.715 1.00 0.00 N ATOM 107 CA GLU A 15 -12.612 -0.884 -1.672 1.00 0.00 C ATOM 108 C GLU A 15 -12.047 -0.084 -0.446 1.00 0.00 C ATOM 109 O GLU A 15 -10.866 -0.191 -0.086 1.00 0.00 O ATOM 110 CB GLU A 15 -13.020 -2.322 -1.244 1.00 0.00 C ATOM 111 CG GLU A 15 -13.676 -3.226 -2.324 1.00 0.00 C ATOM 112 CD GLU A 15 -14.228 -4.544 -1.788 1.00 0.00 C ATOM 113 OE1 GLU A 15 -15.447 -4.393 -1.206 1.00 0.00 O ATOM 114 OE2 GLU A 15 -13.648 -5.622 -1.868 1.00 0.00 O ATOM 0 H GLU A 15 -10.653 -1.243 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 15 -13.492 -0.370 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -12.129 -2.830 -0.874 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -13.712 -2.241 -0.406 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.486 -2.673 -2.801 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -12.939 -3.442 -3.097 1.00 0.00 H new ATOM 115 N LEU A 16 -12.893 0.725 0.209 1.00 0.00 N ATOM 116 CA LEU A 16 -12.456 1.626 1.320 1.00 0.00 C ATOM 117 C LEU A 16 -12.075 0.881 2.648 1.00 0.00 C ATOM 118 O LEU A 16 -12.777 -0.020 3.118 1.00 0.00 O ATOM 119 CB LEU A 16 -13.581 2.677 1.533 1.00 0.00 C ATOM 120 CG LEU A 16 -13.650 3.781 0.442 1.00 0.00 C ATOM 121 CD1 LEU A 16 -15.022 4.470 0.456 1.00 0.00 C ATOM 122 CD2 LEU A 16 -12.555 4.840 0.636 1.00 0.00 C ATOM 0 H LEU A 16 -13.889 0.784 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.523 2.110 1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -14.540 2.161 1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.437 3.152 2.503 1.00 0.00 H new ATOM 0 HG LEU A 16 -13.494 3.290 -0.519 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -15.050 5.240 -0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -15.801 3.733 0.262 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -15.190 4.927 1.431 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.636 5.595 -0.146 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -12.675 5.313 1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -11.576 4.365 0.581 1.00 0.00 H new ATOM 123 N CYS A 17 -10.936 1.279 3.234 1.00 0.00 N ATOM 124 CA CYS A 17 -10.345 0.626 4.430 1.00 0.00 C ATOM 125 C CYS A 17 -9.739 1.643 5.447 1.00 0.00 C ATOM 126 O CYS A 17 -9.290 2.737 5.088 1.00 0.00 O ATOM 127 CB CYS A 17 -9.239 -0.320 3.897 1.00 0.00 C ATOM 128 SG CYS A 17 -8.081 0.567 2.819 1.00 0.00 S ATOM 0 H CYS A 17 -10.388 2.069 2.894 1.00 0.00 H new ATOM 0 HA CYS A 17 -11.122 0.095 4.979 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -8.697 -0.758 4.735 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -9.695 -1.143 3.347 1.00 0.00 H new ATOM 129 N LEU A 18 -9.707 1.259 6.736 1.00 0.00 N ATOM 130 CA LEU A 18 -9.021 2.055 7.788 1.00 0.00 C ATOM 131 C LEU A 18 -7.507 1.651 7.799 1.00 0.00 C ATOM 132 O LEU A 18 -6.703 2.439 7.316 1.00 0.00 O ATOM 133 CB LEU A 18 -9.747 2.008 9.174 1.00 0.00 C ATOM 134 CG LEU A 18 -10.196 0.658 9.809 1.00 0.00 C ATOM 135 CD1 LEU A 18 -10.165 0.731 11.345 1.00 0.00 C ATOM 136 CD2 LEU A 18 -11.621 0.268 9.378 1.00 0.00 C ATOM 0 H LEU A 18 -10.145 0.405 7.081 1.00 0.00 H new ATOM 0 HA LEU A 18 -9.074 3.117 7.549 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -9.088 2.494 9.894 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -10.638 2.630 9.087 1.00 0.00 H new ATOM 0 HG LEU A 18 -9.492 -0.095 9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -10.483 -0.225 11.761 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.151 0.953 11.678 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.839 1.517 11.686 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -11.895 -0.679 9.843 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -12.321 1.042 9.692 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -11.657 0.164 8.294 1.00 0.00 H new ATOM 137 N ASN A 19 -7.096 0.509 8.378 1.00 0.00 N ATOM 138 CA ASN A 19 -5.679 0.022 8.315 1.00 0.00 C ATOM 139 C ASN A 19 -5.411 -1.028 7.177 1.00 0.00 C ATOM 140 O ASN A 19 -6.335 -1.584 6.577 1.00 0.00 O ATOM 141 CB ASN A 19 -5.327 -0.495 9.741 1.00 0.00 C ATOM 142 CG ASN A 19 -5.108 0.629 10.757 1.00 0.00 C ATOM 143 OD1 ASN A 19 -4.125 1.356 10.705 1.00 0.00 O ATOM 144 ND2 ASN A 19 -6.020 0.836 11.670 1.00 0.00 N ATOM 0 H ASN A 19 -7.718 -0.107 8.901 1.00 0.00 H new ATOM 0 HA ASN A 19 -5.016 0.839 8.032 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.130 -1.142 10.093 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -4.426 -1.106 9.686 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -5.911 1.601 12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -6.841 0.232 11.717 1.00 0.00 H new ATOM 145 N SER A 20 -4.129 -1.374 6.927 1.00 0.00 N ATOM 146 CA SER A 20 -3.752 -2.460 5.951 1.00 0.00 C ATOM 147 C SER A 20 -4.101 -3.942 6.357 1.00 0.00 C ATOM 148 O SER A 20 -4.042 -4.848 5.523 1.00 0.00 O ATOM 149 CB SER A 20 -2.240 -2.349 5.666 1.00 0.00 C ATOM 150 OG SER A 20 -1.947 -1.158 4.935 1.00 0.00 O ATOM 0 H SER A 20 -3.330 -0.928 7.378 1.00 0.00 H new ATOM 0 HA SER A 20 -4.372 -2.279 5.073 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.687 -2.349 6.606 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.907 -3.219 5.100 1.00 0.00 H new ATOM 0 HG SER A 20 -1.274 -0.635 5.418 1.00 0.00 H new ATOM 151 N ALA A 21 -4.503 -4.173 7.615 1.00 0.00 N ATOM 152 CA ALA A 21 -4.945 -5.491 8.144 1.00 0.00 C ATOM 153 C ALA A 21 -6.461 -5.826 7.905 1.00 0.00 C ATOM 154 O ALA A 21 -7.245 -6.118 8.810 1.00 0.00 O ATOM 155 CB ALA A 21 -4.576 -5.346 9.625 1.00 0.00 C ATOM 0 H ALA A 21 -4.534 -3.435 8.319 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.475 -6.335 7.640 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.847 -6.257 10.158 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -3.503 -5.176 9.718 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.115 -4.501 10.053 1.00 0.00 H new ATOM 156 N GLN A 22 -6.847 -5.711 6.635 1.00 0.00 N ATOM 157 CA GLN A 22 -8.243 -5.913 6.156 1.00 0.00 C ATOM 158 C GLN A 22 -8.343 -6.650 4.769 1.00 0.00 C ATOM 159 O GLN A 22 -9.164 -7.556 4.609 1.00 0.00 O ATOM 160 CB GLN A 22 -8.928 -4.517 6.100 1.00 0.00 C ATOM 161 CG GLN A 22 -9.345 -3.923 7.470 1.00 0.00 C ATOM 162 CD GLN A 22 -10.177 -2.653 7.354 1.00 0.00 C ATOM 163 OE1 GLN A 22 -9.663 -1.544 7.323 1.00 0.00 O ATOM 164 NE2 GLN A 22 -11.479 -2.762 7.271 1.00 0.00 N ATOM 0 H GLN A 22 -6.198 -5.471 5.885 1.00 0.00 H new ATOM 0 HA GLN A 22 -8.752 -6.576 6.856 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -8.249 -3.818 5.612 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -9.815 -4.592 5.471 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -9.913 -4.671 8.023 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -8.449 -3.709 8.052 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.916 -3.683 7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.056 -1.926 7.181 1.00 0.00 H new ATOM 165 N CYS A 23 -7.600 -6.221 3.738 1.00 0.00 N ATOM 166 CA CYS A 23 -7.703 -6.778 2.368 1.00 0.00 C ATOM 167 C CYS A 23 -6.869 -8.080 2.085 1.00 0.00 C ATOM 168 O CYS A 23 -5.905 -8.407 2.781 1.00 0.00 O ATOM 169 CB CYS A 23 -7.290 -5.605 1.460 1.00 0.00 C ATOM 170 SG CYS A 23 -8.363 -4.167 1.732 1.00 0.00 S ATOM 0 H CYS A 23 -6.908 -5.477 3.824 1.00 0.00 H new ATOM 0 HA CYS A 23 -8.716 -7.139 2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -6.253 -5.333 1.659 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.344 -5.912 0.415 1.00 0.00 H new ATOM 171 N LYS A 24 -7.248 -8.808 1.014 1.00 0.00 N ATOM 172 CA LYS A 24 -6.483 -9.977 0.458 1.00 0.00 C ATOM 173 C LYS A 24 -5.055 -9.492 0.010 1.00 0.00 C ATOM 174 O LYS A 24 -4.033 -10.035 0.434 1.00 0.00 O ATOM 175 CB LYS A 24 -7.313 -10.581 -0.711 1.00 0.00 C ATOM 176 CG LYS A 24 -8.569 -11.386 -0.314 1.00 0.00 C ATOM 177 CD LYS A 24 -9.619 -11.606 -1.423 1.00 0.00 C ATOM 178 CE LYS A 24 -9.192 -12.499 -2.602 1.00 0.00 C ATOM 179 NZ LYS A 24 -8.585 -11.699 -3.683 1.00 0.00 N ATOM 0 H LYS A 24 -8.103 -8.609 0.494 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.332 -10.758 1.204 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -7.622 -9.767 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -6.660 -11.231 -1.294 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -8.249 -12.361 0.052 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -9.053 -10.876 0.519 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -10.509 -12.042 -0.969 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -9.907 -10.632 -1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.479 -13.248 -2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -10.058 -13.037 -2.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.276 -12.330 -4.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.286 -11.024 -4.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.765 -11.178 -3.311 1.00 0.00 H new ATOM 180 N SER A 25 -5.003 -8.450 -0.852 1.00 0.00 N ATOM 181 CA SER A 25 -3.747 -7.713 -1.154 1.00 0.00 C ATOM 182 C SER A 25 -3.660 -6.705 0.049 1.00 0.00 C ATOM 183 O SER A 25 -4.239 -5.614 0.000 1.00 0.00 O ATOM 184 CB SER A 25 -3.867 -7.057 -2.550 1.00 0.00 C ATOM 185 OG SER A 25 -2.750 -6.208 -2.824 1.00 0.00 O ATOM 0 H SER A 25 -5.818 -8.097 -1.354 1.00 0.00 H new ATOM 0 HA SER A 25 -2.838 -8.311 -1.223 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.933 -7.832 -3.314 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.789 -6.477 -2.604 1.00 0.00 H new ATOM 0 HG SER A 25 -3.066 -5.296 -2.995 1.00 0.00 H new ATOM 186 N ASN A 26 -2.962 -7.099 1.131 1.00 0.00 N ATOM 187 CA ASN A 26 -2.937 -6.358 2.432 1.00 0.00 C ATOM 188 C ASN A 26 -2.125 -5.017 2.456 1.00 0.00 C ATOM 189 O ASN A 26 -1.102 -4.827 3.123 1.00 0.00 O ATOM 190 CB ASN A 26 -2.496 -7.387 3.520 1.00 0.00 C ATOM 191 CG ASN A 26 -1.139 -8.095 3.385 1.00 0.00 C ATOM 192 OD1 ASN A 26 -1.029 -9.195 2.859 1.00 0.00 O ATOM 193 ND2 ASN A 26 -0.066 -7.504 3.836 1.00 0.00 N ATOM 0 H ASN A 26 -2.392 -7.945 1.139 1.00 0.00 H new ATOM 0 HA ASN A 26 -3.938 -5.976 2.632 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -2.501 -6.870 4.480 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -3.264 -8.159 3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 26 0.843 -7.959 3.747 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -0.136 -6.587 4.278 1.00 0.00 H new ATOM 194 N CYS A 27 -2.699 -4.057 1.733 1.00 0.00 N ATOM 195 CA CYS A 27 -2.152 -2.705 1.558 1.00 0.00 C ATOM 196 C CYS A 27 -3.308 -1.666 1.469 1.00 0.00 C ATOM 197 O CYS A 27 -3.875 -1.447 0.393 1.00 0.00 O ATOM 198 CB CYS A 27 -1.300 -2.717 0.267 1.00 0.00 C ATOM 199 SG CYS A 27 -0.682 -1.055 -0.071 1.00 0.00 S ATOM 0 H CYS A 27 -3.580 -4.198 1.238 1.00 0.00 H new ATOM 0 HA CYS A 27 -1.532 -2.418 2.407 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -0.466 -3.410 0.377 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -1.899 -3.070 -0.572 1.00 0.00 H new ATOM 200 N CYS A 28 -3.658 -1.006 2.591 1.00 0.00 N ATOM 201 CA CYS A 28 -4.617 0.134 2.577 1.00 0.00 C ATOM 202 C CYS A 28 -3.764 1.331 2.060 1.00 0.00 C ATOM 203 O CYS A 28 -2.762 1.707 2.682 1.00 0.00 O ATOM 204 CB CYS A 28 -5.215 0.362 3.973 1.00 0.00 C ATOM 205 SG CYS A 28 -6.632 1.470 3.869 1.00 0.00 S ATOM 0 H CYS A 28 -3.297 -1.236 3.517 1.00 0.00 H new ATOM 0 HA CYS A 28 -5.487 -0.030 1.941 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -5.520 -0.591 4.406 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -4.460 0.786 4.635 1.00 0.00 H new ATOM 206 N GLN A 29 -4.104 1.859 0.883 1.00 0.00 N ATOM 207 CA GLN A 29 -3.248 2.852 0.198 1.00 0.00 C ATOM 208 C GLN A 29 -3.693 4.340 0.395 1.00 0.00 C ATOM 209 O GLN A 29 -4.837 4.741 0.154 1.00 0.00 O ATOM 210 CB GLN A 29 -3.178 2.355 -1.269 1.00 0.00 C ATOM 211 CG GLN A 29 -1.857 2.719 -2.011 1.00 0.00 C ATOM 212 CD GLN A 29 -2.061 3.636 -3.200 1.00 0.00 C ATOM 213 OE1 GLN A 29 -2.143 3.218 -4.347 1.00 0.00 O ATOM 214 NE2 GLN A 29 -2.224 4.901 -2.950 1.00 0.00 N ATOM 0 H GLN A 29 -4.959 1.623 0.380 1.00 0.00 H new ATOM 0 HA GLN A 29 -2.250 2.903 0.634 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -3.299 1.272 -1.279 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -4.018 2.775 -1.822 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -1.175 3.196 -1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -1.375 1.801 -2.349 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -2.155 5.245 -1.992 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -2.421 5.550 -3.712 1.00 0.00 H new ATOM 215 N HIS A 30 -2.743 5.129 0.907 1.00 0.00 N ATOM 216 CA HIS A 30 -2.928 6.548 1.292 1.00 0.00 C ATOM 217 C HIS A 30 -2.699 7.550 0.116 1.00 0.00 C ATOM 218 O HIS A 30 -1.588 7.680 -0.408 1.00 0.00 O ATOM 219 CB HIS A 30 -1.910 6.788 2.436 1.00 0.00 C ATOM 220 CG HIS A 30 -2.140 8.002 3.315 1.00 0.00 C ATOM 221 ND1 HIS A 30 -1.242 9.047 3.374 1.00 0.00 N ATOM 222 CD2 HIS A 30 -3.069 8.082 4.367 1.00 0.00 C ATOM 223 CE1 HIS A 30 -1.704 9.669 4.499 1.00 0.00 C ATOM 224 NE2 HIS A 30 -2.821 9.200 5.134 1.00 0.00 N ATOM 0 H HIS A 30 -1.793 4.796 1.073 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.959 6.727 1.597 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -1.902 5.904 3.074 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -0.917 6.872 1.994 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -3.862 7.371 4.548 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -1.186 10.533 4.888 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -3.324 9.570 5.940 1.00 0.00 H new ATOM 225 N ASP A 31 -3.739 8.285 -0.272 1.00 0.00 N ATOM 226 CA ASP A 31 -3.654 9.370 -1.291 1.00 0.00 C ATOM 227 C ASP A 31 -3.172 10.769 -0.735 1.00 0.00 C ATOM 228 O ASP A 31 -3.814 11.801 -0.935 1.00 0.00 O ATOM 229 CB ASP A 31 -4.980 9.354 -2.113 1.00 0.00 C ATOM 230 CG ASP A 31 -6.339 9.300 -1.415 1.00 0.00 C ATOM 231 OD1 ASP A 31 -6.636 8.032 -1.026 1.00 0.00 O ATOM 232 OD2 ASP A 31 -7.074 10.264 -1.231 1.00 0.00 O ATOM 0 H ASP A 31 -4.678 8.156 0.105 1.00 0.00 H new ATOM 0 HA ASP A 31 -2.835 9.170 -1.982 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.978 10.246 -2.739 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.930 8.495 -2.782 1.00 0.00 H new ATOM 233 N THR A 32 -1.980 10.781 -0.100 1.00 0.00 N ATOM 234 CA THR A 32 -1.216 11.992 0.364 1.00 0.00 C ATOM 235 C THR A 32 -1.672 12.742 1.678 1.00 0.00 C ATOM 236 O THR A 32 -2.688 13.437 1.706 1.00 0.00 O ATOM 237 CB THR A 32 -0.950 13.037 -0.785 1.00 0.00 C ATOM 238 OG1 THR A 32 -2.125 13.764 -1.123 1.00 0.00 O ATOM 239 CG2 THR A 32 -0.430 12.434 -2.102 1.00 0.00 C ATOM 0 H THR A 32 -1.489 9.914 0.120 1.00 0.00 H new ATOM 0 HA THR A 32 -0.291 11.501 0.667 1.00 0.00 H new ATOM 0 HB THR A 32 -0.178 13.676 -0.357 1.00 0.00 H new ATOM 0 HG1 THR A 32 -2.916 13.227 -0.907 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.277 13.230 -2.831 1.00 0.00 H new ATOM 0 HG22 THR A 32 0.515 11.922 -1.920 1.00 0.00 H new ATOM 0 HG23 THR A 32 -1.159 11.722 -2.489 1.00 0.00 H new ATOM 240 N ILE A 33 -0.858 12.629 2.754 1.00 0.00 N ATOM 241 CA ILE A 33 -0.980 13.372 4.061 1.00 0.00 C ATOM 242 C ILE A 33 -2.386 13.274 4.779 1.00 0.00 C ATOM 243 O ILE A 33 -2.564 12.419 5.651 1.00 0.00 O ATOM 244 CB ILE A 33 -0.364 14.831 3.923 1.00 0.00 C ATOM 245 CG1 ILE A 33 1.133 14.893 3.462 1.00 0.00 C ATOM 246 CG2 ILE A 33 -0.407 15.606 5.272 1.00 0.00 C ATOM 247 CD1 ILE A 33 1.373 14.801 1.942 1.00 0.00 C ATOM 0 H ILE A 33 -0.060 11.994 2.750 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.366 12.842 4.790 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.995 15.275 3.153 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.566 15.826 3.823 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.676 14.081 3.946 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.023 16.598 5.135 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.441 15.701 5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.167 15.062 6.023 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.443 14.854 1.739 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.979 13.856 1.568 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.867 15.628 1.443 1.00 0.00 H new ATOM 248 N LEU A 34 -3.357 14.151 4.472 1.00 0.00 N ATOM 249 CA LEU A 34 -4.738 14.081 5.034 1.00 0.00 C ATOM 250 C LEU A 34 -5.664 13.499 3.920 1.00 0.00 C ATOM 251 O LEU A 34 -6.257 14.237 3.128 1.00 0.00 O ATOM 252 CB LEU A 34 -5.098 15.510 5.538 1.00 0.00 C ATOM 253 CG LEU A 34 -6.498 15.706 6.177 1.00 0.00 C ATOM 254 CD1 LEU A 34 -6.704 14.875 7.456 1.00 0.00 C ATOM 255 CD2 LEU A 34 -6.716 17.191 6.510 1.00 0.00 C ATOM 0 H LEU A 34 -3.218 14.931 3.830 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.851 13.419 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.348 15.809 6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.012 16.197 4.696 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.224 15.359 5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.703 15.058 7.852 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.595 13.816 7.223 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.961 15.162 8.200 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -7.701 17.323 6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.951 17.523 7.212 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.651 17.782 5.596 1.00 0.00 H new ATOM 256 N SER A 35 -5.771 12.160 3.865 1.00 0.00 N ATOM 257 CA SER A 35 -6.484 11.463 2.760 1.00 0.00 C ATOM 258 C SER A 35 -7.431 10.292 3.177 1.00 0.00 C ATOM 259 O SER A 35 -7.202 9.571 4.155 1.00 0.00 O ATOM 260 CB SER A 35 -5.368 10.951 1.820 1.00 0.00 C ATOM 261 OG SER A 35 -4.646 9.828 2.333 1.00 0.00 O ATOM 0 H SER A 35 -5.377 11.533 4.567 1.00 0.00 H new ATOM 0 HA SER A 35 -7.171 12.170 2.296 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.811 10.679 0.862 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.667 11.764 1.628 1.00 0.00 H new ATOM 0 HG SER A 35 -3.785 9.755 1.872 1.00 0.00 H new ATOM 262 N LEU A 36 -8.489 10.074 2.373 1.00 0.00 N ATOM 263 CA LEU A 36 -9.408 8.912 2.536 1.00 0.00 C ATOM 264 C LEU A 36 -8.707 7.671 1.879 1.00 0.00 C ATOM 265 O LEU A 36 -8.483 7.644 0.666 1.00 0.00 O ATOM 266 CB LEU A 36 -10.770 9.307 1.902 1.00 0.00 C ATOM 267 CG LEU A 36 -11.915 8.275 2.042 1.00 0.00 C ATOM 268 CD1 LEU A 36 -12.367 8.068 3.499 1.00 0.00 C ATOM 269 CD2 LEU A 36 -13.129 8.709 1.205 1.00 0.00 C ATOM 0 H LEU A 36 -8.736 10.687 1.597 1.00 0.00 H new ATOM 0 HA LEU A 36 -9.614 8.643 3.572 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -11.097 10.245 2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -10.611 9.500 0.841 1.00 0.00 H new ATOM 0 HG LEU A 36 -11.515 7.328 1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -13.172 7.333 3.529 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -11.526 7.710 4.093 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -12.724 9.014 3.907 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -13.927 7.974 1.313 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -13.481 9.680 1.552 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -12.841 8.781 0.156 1.00 0.00 H new ATOM 270 N SER A 37 -8.392 6.634 2.666 1.00 0.00 N ATOM 271 CA SER A 37 -7.558 5.490 2.195 1.00 0.00 C ATOM 272 C SER A 37 -8.375 4.283 1.621 1.00 0.00 C ATOM 273 O SER A 37 -9.409 3.860 2.148 1.00 0.00 O ATOM 274 CB SER A 37 -6.711 5.077 3.416 1.00 0.00 C ATOM 275 OG SER A 37 -5.924 6.177 3.889 1.00 0.00 O ATOM 0 H SER A 37 -8.697 6.552 3.636 1.00 0.00 H new ATOM 0 HA SER A 37 -6.949 5.801 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.364 4.723 4.213 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.058 4.247 3.146 1.00 0.00 H new ATOM 0 HG SER A 37 -5.788 6.090 4.856 1.00 0.00 H new ATOM 276 N ARG A 38 -7.880 3.742 0.501 1.00 0.00 N ATOM 277 CA ARG A 38 -8.560 2.663 -0.279 1.00 0.00 C ATOM 278 C ARG A 38 -7.530 1.546 -0.669 1.00 0.00 C ATOM 279 O ARG A 38 -6.401 1.865 -1.056 1.00 0.00 O ATOM 280 CB ARG A 38 -9.203 3.374 -1.508 1.00 0.00 C ATOM 281 CG ARG A 38 -10.368 2.600 -2.157 1.00 0.00 C ATOM 282 CD ARG A 38 -11.121 3.417 -3.220 1.00 0.00 C ATOM 283 NE ARG A 38 -12.325 2.654 -3.643 1.00 0.00 N ATOM 284 CZ ARG A 38 -13.568 3.115 -3.699 1.00 0.00 C ATOM 285 NH1 ARG A 38 -13.918 4.344 -3.425 1.00 0.00 N ATOM 286 NH2 ARG A 38 -14.496 2.284 -4.055 1.00 0.00 N ATOM 0 H ARG A 38 -6.990 4.033 0.095 1.00 0.00 H new ATOM 0 HA ARG A 38 -9.333 2.148 0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.563 4.355 -1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -8.431 3.542 -2.260 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -9.980 1.690 -2.615 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -11.069 2.293 -1.381 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -11.411 4.387 -2.816 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -10.475 3.609 -4.077 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.182 1.682 -3.917 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -13.212 5.025 -3.145 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.897 4.622 -3.491 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.257 1.318 -4.279 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -15.466 2.596 -4.111 1.00 0.00 H new ATOM 287 N CYS A 39 -7.857 0.238 -0.569 1.00 0.00 N ATOM 288 CA CYS A 39 -6.873 -0.841 -0.878 1.00 0.00 C ATOM 289 C CYS A 39 -6.426 -0.917 -2.374 1.00 0.00 C ATOM 290 O CYS A 39 -7.158 -0.630 -3.322 1.00 0.00 O ATOM 291 CB CYS A 39 -7.394 -2.228 -0.427 1.00 0.00 C ATOM 292 SG CYS A 39 -7.388 -2.457 1.353 1.00 0.00 S ATOM 0 H CYS A 39 -8.776 -0.099 -0.283 1.00 0.00 H new ATOM 0 HA CYS A 39 -5.987 -0.565 -0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -8.410 -2.363 -0.798 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -6.781 -3.003 -0.886 1.00 0.00 H new ATOM 293 N ALA A 40 -5.173 -1.342 -2.533 1.00 0.00 N ATOM 294 CA ALA A 40 -4.470 -1.402 -3.832 1.00 0.00 C ATOM 295 C ALA A 40 -3.595 -2.696 -3.992 1.00 0.00 C ATOM 296 O ALA A 40 -3.547 -3.588 -3.136 1.00 0.00 O ATOM 297 CB ALA A 40 -3.684 -0.079 -3.860 1.00 0.00 C ATOM 0 H ALA A 40 -4.600 -1.662 -1.753 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.139 -1.488 -4.688 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.117 -0.012 -4.789 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.379 0.758 -3.798 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.998 -0.045 -3.013 1.00 0.00 H new ATOM 298 N LEU A 41 -2.922 -2.807 -5.144 1.00 0.00 N ATOM 299 CA LEU A 41 -2.036 -3.961 -5.461 1.00 0.00 C ATOM 300 C LEU A 41 -0.611 -3.829 -4.825 1.00 0.00 C ATOM 301 O LEU A 41 0.005 -2.758 -4.838 1.00 0.00 O ATOM 302 CB LEU A 41 -1.897 -4.080 -7.010 1.00 0.00 C ATOM 303 CG LEU A 41 -3.153 -4.466 -7.835 1.00 0.00 C ATOM 304 CD1 LEU A 41 -2.839 -4.394 -9.338 1.00 0.00 C ATOM 305 CD2 LEU A 41 -3.667 -5.878 -7.505 1.00 0.00 C ATOM 0 H LEU A 41 -2.968 -2.109 -5.887 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.496 -4.853 -5.035 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.534 -3.123 -7.385 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.123 -4.819 -7.218 1.00 0.00 H new ATOM 0 HG LEU A 41 -3.933 -3.752 -7.569 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.727 -4.667 -9.909 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.538 -3.379 -9.599 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.030 -5.085 -9.574 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.547 -6.096 -8.111 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.888 -6.609 -7.721 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.931 -5.931 -6.449 1.00 0.00 H new ATOM 306 N LYS A 42 -0.077 -4.941 -4.297 1.00 0.00 N ATOM 307 CA LYS A 42 1.327 -5.005 -3.788 1.00 0.00 C ATOM 308 C LYS A 42 2.345 -4.948 -4.986 1.00 0.00 C ATOM 309 O LYS A 42 2.180 -5.640 -5.998 1.00 0.00 O ATOM 310 CB LYS A 42 1.466 -6.218 -2.830 1.00 0.00 C ATOM 311 CG LYS A 42 1.216 -7.642 -3.384 1.00 0.00 C ATOM 312 CD LYS A 42 1.222 -8.687 -2.252 1.00 0.00 C ATOM 313 CE LYS A 42 1.032 -10.118 -2.773 1.00 0.00 C ATOM 314 NZ LYS A 42 1.168 -11.069 -1.653 1.00 0.00 N ATOM 0 H LYS A 42 -0.588 -5.819 -4.205 1.00 0.00 H new ATOM 0 HA LYS A 42 1.579 -4.132 -3.186 1.00 0.00 H new ATOM 0 HB2 LYS A 42 2.474 -6.198 -2.417 1.00 0.00 H new ATOM 0 HB3 LYS A 42 0.778 -6.062 -1.999 1.00 0.00 H new ATOM 0 HG2 LYS A 42 0.258 -7.670 -3.904 1.00 0.00 H new ATOM 0 HG3 LYS A 42 1.984 -7.891 -4.117 1.00 0.00 H new ATOM 0 HD2 LYS A 42 2.165 -8.624 -1.708 1.00 0.00 H new ATOM 0 HD3 LYS A 42 0.428 -8.454 -1.542 1.00 0.00 H new ATOM 0 HE2 LYS A 42 0.050 -10.221 -3.235 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.771 -10.338 -3.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.040 -12.039 -2.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 2.114 -10.976 -1.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 0.446 -10.863 -0.933 1.00 0.00 H new ATOM 315 N ALA A 43 3.406 -4.128 -4.872 1.00 0.00 N ATOM 316 CA ALA A 43 4.313 -3.857 -6.015 1.00 0.00 C ATOM 317 C ALA A 43 5.319 -4.971 -6.444 1.00 0.00 C ATOM 318 O ALA A 43 5.731 -5.862 -5.697 1.00 0.00 O ATOM 319 CB ALA A 43 5.035 -2.541 -5.638 1.00 0.00 C ATOM 0 H ALA A 43 3.659 -3.643 -4.011 1.00 0.00 H new ATOM 0 HA ALA A 43 3.703 -3.801 -6.917 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.729 -2.266 -6.433 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.300 -1.747 -5.507 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.586 -2.682 -4.708 1.00 0.00 H new ATOM 320 N ARG A 44 5.677 -4.872 -7.727 1.00 0.00 N ATOM 321 CA ARG A 44 6.574 -5.829 -8.415 1.00 0.00 C ATOM 322 C ARG A 44 7.929 -5.194 -8.821 1.00 0.00 C ATOM 323 O ARG A 44 8.152 -3.985 -8.734 1.00 0.00 O ATOM 324 CB ARG A 44 5.807 -6.420 -9.643 1.00 0.00 C ATOM 325 CG ARG A 44 5.238 -7.838 -9.426 1.00 0.00 C ATOM 326 CD ARG A 44 6.215 -8.945 -8.990 1.00 0.00 C ATOM 327 NE ARG A 44 7.269 -9.202 -10.007 1.00 0.00 N ATOM 328 CZ ARG A 44 8.393 -9.875 -9.789 1.00 0.00 C ATOM 329 NH1 ARG A 44 8.744 -10.372 -8.632 1.00 0.00 N ATOM 330 NH2 ARG A 44 9.194 -10.055 -10.792 1.00 0.00 N ATOM 0 H ARG A 44 5.352 -4.118 -8.333 1.00 0.00 H new ATOM 0 HA ARG A 44 6.837 -6.631 -7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 44 4.987 -5.749 -9.899 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.481 -6.441 -10.499 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.451 -7.772 -8.675 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.766 -8.155 -10.356 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.684 -8.662 -8.048 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.659 -9.865 -8.806 1.00 0.00 H new ATOM 0 HE ARG A 44 7.117 -8.832 -10.945 1.00 0.00 H new ATOM 0 HH11 ARG A 44 8.137 -10.253 -7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 44 9.625 -10.878 -8.540 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.952 -9.684 -11.711 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.067 -10.567 -10.662 1.00 0.00 H new ATOM 331 N GLU A 45 8.838 -6.059 -9.288 1.00 0.00 N ATOM 332 CA GLU A 45 10.233 -5.671 -9.621 1.00 0.00 C ATOM 333 C GLU A 45 10.313 -4.550 -10.715 1.00 0.00 C ATOM 334 O GLU A 45 9.758 -4.670 -11.810 1.00 0.00 O ATOM 335 CB GLU A 45 11.025 -6.953 -9.985 1.00 0.00 C ATOM 336 CG GLU A 45 12.554 -6.721 -10.134 1.00 0.00 C ATOM 337 CD GLU A 45 13.398 -7.987 -10.079 1.00 0.00 C ATOM 338 OE1 GLU A 45 13.775 -8.510 -9.035 1.00 0.00 O ATOM 339 OE2 GLU A 45 13.692 -8.473 -11.314 1.00 0.00 O ATOM 0 H GLU A 45 8.638 -7.046 -9.449 1.00 0.00 H new ATOM 0 HA GLU A 45 10.697 -5.211 -8.749 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.854 -7.706 -9.216 1.00 0.00 H new ATOM 0 HB3 GLU A 45 10.635 -7.357 -10.919 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.741 -6.217 -11.082 1.00 0.00 H new ATOM 0 HG3 GLU A 45 12.884 -6.046 -9.344 1.00 0.00 H new ATOM 340 N ASN A 46 11.017 -3.468 -10.350 1.00 0.00 N ATOM 341 CA ASN A 46 11.142 -2.189 -11.134 1.00 0.00 C ATOM 342 C ASN A 46 9.969 -1.153 -10.878 1.00 0.00 C ATOM 343 O ASN A 46 9.841 -0.187 -11.636 1.00 0.00 O ATOM 344 CB ASN A 46 11.432 -2.388 -12.657 1.00 0.00 C ATOM 345 CG ASN A 46 12.675 -3.204 -12.994 1.00 0.00 C ATOM 346 OD1 ASN A 46 13.807 -2.799 -12.764 1.00 0.00 O ATOM 347 ND2 ASN A 46 12.507 -4.374 -13.546 1.00 0.00 N ATOM 0 H ASN A 46 11.540 -3.439 -9.475 1.00 0.00 H new ATOM 0 HA ASN A 46 12.042 -1.732 -10.722 1.00 0.00 H new ATOM 0 HB2 ASN A 46 10.568 -2.872 -13.112 1.00 0.00 H new ATOM 0 HB3 ASN A 46 11.528 -1.406 -13.121 1.00 0.00 H new ATOM 0 HD21 ASN A 46 13.317 -4.947 -13.784 1.00 0.00 H new ATOM 0 HD22 ASN A 46 11.566 -4.716 -13.740 1.00 0.00 H new ATOM 348 N SER A 47 9.182 -1.261 -9.782 1.00 0.00 N ATOM 349 CA SER A 47 8.125 -0.272 -9.416 1.00 0.00 C ATOM 350 C SER A 47 8.384 0.385 -8.019 1.00 0.00 C ATOM 351 O SER A 47 8.967 -0.216 -7.112 1.00 0.00 O ATOM 352 CB SER A 47 6.768 -1.016 -9.453 1.00 0.00 C ATOM 353 OG SER A 47 5.673 -0.139 -9.169 1.00 0.00 O ATOM 0 H SER A 47 9.257 -2.035 -9.122 1.00 0.00 H new ATOM 0 HA SER A 47 8.129 0.554 -10.128 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.627 -1.467 -10.435 1.00 0.00 H new ATOM 0 HB3 SER A 47 6.780 -1.830 -8.728 1.00 0.00 H new ATOM 0 HG SER A 47 4.833 -0.643 -9.203 1.00 0.00 H new ATOM 354 N GLU A 48 7.903 1.628 -7.832 1.00 0.00 N ATOM 355 CA GLU A 48 8.087 2.398 -6.577 1.00 0.00 C ATOM 356 C GLU A 48 7.168 1.877 -5.409 1.00 0.00 C ATOM 357 O GLU A 48 5.936 1.848 -5.467 1.00 0.00 O ATOM 358 CB GLU A 48 7.837 3.914 -6.824 1.00 0.00 C ATOM 359 CG GLU A 48 8.922 4.629 -7.670 1.00 0.00 C ATOM 360 CD GLU A 48 8.826 6.150 -7.685 1.00 0.00 C ATOM 361 OE1 GLU A 48 8.059 6.776 -8.409 1.00 0.00 O ATOM 362 OE2 GLU A 48 9.690 6.728 -6.803 1.00 0.00 O ATOM 0 H GLU A 48 7.375 2.132 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 48 9.121 2.250 -6.264 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.874 4.032 -7.321 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.761 4.416 -5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.903 4.345 -7.290 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.860 4.266 -8.696 1.00 0.00 H new ATOM 363 N CYS A 49 7.859 1.479 -4.355 1.00 0.00 N ATOM 364 CA CYS A 49 7.321 0.939 -3.084 1.00 0.00 C ATOM 365 C CYS A 49 7.784 1.764 -1.841 1.00 0.00 C ATOM 366 O CYS A 49 8.886 2.323 -1.808 1.00 0.00 O ATOM 367 CB CYS A 49 7.866 -0.500 -3.005 1.00 0.00 C ATOM 368 SG CYS A 49 9.673 -0.551 -3.159 1.00 0.00 S ATOM 0 H CYS A 49 8.878 1.520 -4.347 1.00 0.00 H new ATOM 0 HA CYS A 49 6.232 0.984 -3.073 1.00 0.00 H new ATOM 0 HB2 CYS A 49 7.570 -0.948 -2.057 1.00 0.00 H new ATOM 0 HB3 CYS A 49 7.418 -1.102 -3.796 1.00 0.00 H new ATOM 369 N SER A 50 6.985 1.771 -0.760 1.00 0.00 N ATOM 370 CA SER A 50 7.386 2.410 0.530 1.00 0.00 C ATOM 371 C SER A 50 8.415 1.471 1.227 1.00 0.00 C ATOM 372 O SER A 50 8.130 0.296 1.483 1.00 0.00 O ATOM 373 CB SER A 50 6.147 2.636 1.429 1.00 0.00 C ATOM 374 OG SER A 50 5.207 3.512 0.810 1.00 0.00 O ATOM 0 H SER A 50 6.058 1.346 -0.742 1.00 0.00 H new ATOM 0 HA SER A 50 7.837 3.386 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.670 1.679 1.641 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.461 3.054 2.385 1.00 0.00 H new ATOM 0 HG SER A 50 4.907 3.123 -0.038 1.00 0.00 H new ATOM 375 N ALA A 51 9.612 1.989 1.540 1.00 0.00 N ATOM 376 CA ALA A 51 10.710 1.127 2.047 1.00 0.00 C ATOM 377 C ALA A 51 10.583 0.612 3.519 1.00 0.00 C ATOM 378 O ALA A 51 10.770 -0.582 3.765 1.00 0.00 O ATOM 379 CB ALA A 51 11.997 1.934 1.803 1.00 0.00 C ATOM 0 H ALA A 51 9.850 2.977 1.457 1.00 0.00 H new ATOM 0 HA ALA A 51 10.690 0.179 1.509 1.00 0.00 H new ATOM 0 HB1 ALA A 51 12.857 1.362 2.152 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.104 2.135 0.737 1.00 0.00 H new ATOM 0 HB3 ALA A 51 11.943 2.877 2.346 1.00 0.00 H new ATOM 380 N PHE A 52 10.298 1.492 4.487 1.00 0.00 N ATOM 381 CA PHE A 52 10.008 1.083 5.887 1.00 0.00 C ATOM 382 C PHE A 52 8.466 0.881 6.074 1.00 0.00 C ATOM 383 O PHE A 52 7.643 1.535 5.419 1.00 0.00 O ATOM 384 CB PHE A 52 10.588 2.143 6.874 1.00 0.00 C ATOM 385 CG PHE A 52 10.003 3.571 6.819 1.00 0.00 C ATOM 386 CD1 PHE A 52 8.804 3.887 7.470 1.00 0.00 C ATOM 387 CD2 PHE A 52 10.645 4.546 6.053 1.00 0.00 C ATOM 388 CE1 PHE A 52 8.253 5.160 7.343 1.00 0.00 C ATOM 389 CE2 PHE A 52 10.102 5.822 5.940 1.00 0.00 C ATOM 390 CZ PHE A 52 8.905 6.130 6.584 1.00 0.00 C ATOM 0 H PHE A 52 10.259 2.500 4.335 1.00 0.00 H new ATOM 0 HA PHE A 52 10.490 0.130 6.106 1.00 0.00 H new ATOM 0 HB2 PHE A 52 10.455 1.765 7.888 1.00 0.00 H new ATOM 0 HB3 PHE A 52 11.661 2.213 6.698 1.00 0.00 H new ATOM 0 HD1 PHE A 52 8.305 3.142 8.072 1.00 0.00 H new ATOM 0 HD2 PHE A 52 11.568 4.308 5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 52 7.320 5.395 7.833 1.00 0.00 H new ATOM 0 HE2 PHE A 52 10.608 6.574 5.353 1.00 0.00 H new ATOM 0 HZ PHE A 52 8.483 7.120 6.495 1.00 0.00 H new ATOM 391 N THR A 53 8.078 0.004 7.006 1.00 0.00 N ATOM 392 CA THR A 53 6.641 -0.178 7.367 1.00 0.00 C ATOM 393 C THR A 53 6.415 0.116 8.878 1.00 0.00 C ATOM 394 O THR A 53 7.242 -0.115 9.765 1.00 0.00 O ATOM 395 CB THR A 53 6.062 -1.576 6.986 1.00 0.00 C ATOM 396 OG1 THR A 53 6.859 -2.642 7.484 1.00 0.00 O ATOM 397 CG2 THR A 53 5.968 -1.759 5.470 1.00 0.00 C ATOM 0 H THR A 53 8.721 -0.592 7.528 1.00 0.00 H new ATOM 0 HA THR A 53 6.089 0.546 6.767 1.00 0.00 H new ATOM 0 HB THR A 53 5.070 -1.606 7.437 1.00 0.00 H new ATOM 0 HG1 THR A 53 6.459 -3.498 7.224 1.00 0.00 H new ATOM 0 HG21 THR A 53 5.560 -2.745 5.247 1.00 0.00 H new ATOM 0 HG22 THR A 53 5.315 -0.993 5.051 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.961 -1.669 5.030 1.00 0.00 H new ATOM 398 N LEU A 54 5.224 0.656 9.118 1.00 0.00 N ATOM 399 CA LEU A 54 4.677 0.929 10.467 1.00 0.00 C ATOM 400 C LEU A 54 3.721 -0.272 10.794 1.00 0.00 C ATOM 401 O LEU A 54 4.127 -1.438 10.757 1.00 0.00 O ATOM 402 CB LEU A 54 4.070 2.377 10.343 1.00 0.00 C ATOM 403 CG LEU A 54 2.858 2.568 9.360 1.00 0.00 C ATOM 404 CD1 LEU A 54 1.628 3.203 10.026 1.00 0.00 C ATOM 405 CD2 LEU A 54 3.242 3.348 8.099 1.00 0.00 C ATOM 0 H LEU A 54 4.587 0.927 8.369 1.00 0.00 H new ATOM 0 HA LEU A 54 5.358 0.962 11.318 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.753 2.696 11.336 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.867 3.052 10.031 1.00 0.00 H new ATOM 0 HG LEU A 54 2.579 1.557 9.063 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.829 3.306 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.289 2.568 10.844 1.00 0.00 H new ATOM 0 HD13 LEU A 54 1.892 4.186 10.415 1.00 0.00 H new ATOM 0 HD21 LEU A 54 2.369 3.451 7.455 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.605 4.337 8.379 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.026 2.812 7.564 1.00 0.00 H new ATOM 406 N TYR A 55 2.466 0.000 11.154 1.00 0.00 N ATOM 407 CA TYR A 55 1.430 -1.046 11.261 1.00 0.00 C ATOM 408 C TYR A 55 0.060 -0.377 10.911 1.00 0.00 C ATOM 409 O TYR A 55 -0.801 -0.150 11.765 1.00 0.00 O ATOM 410 CB TYR A 55 1.487 -1.844 12.602 1.00 0.00 C ATOM 411 CG TYR A 55 0.906 -3.241 12.343 1.00 0.00 C ATOM 412 CD1 TYR A 55 1.702 -4.168 11.662 1.00 0.00 C ATOM 413 CD2 TYR A 55 -0.481 -3.410 12.372 1.00 0.00 C ATOM 414 CE1 TYR A 55 1.108 -5.197 10.938 1.00 0.00 C ATOM 415 CE2 TYR A 55 -1.070 -4.443 11.652 1.00 0.00 C ATOM 416 CZ TYR A 55 -0.279 -5.339 10.936 1.00 0.00 C ATOM 417 OH TYR A 55 -0.868 -6.302 10.162 1.00 0.00 O ATOM 0 H TYR A 55 2.134 0.938 11.379 1.00 0.00 H new ATOM 0 HA TYR A 55 1.606 -1.846 10.542 1.00 0.00 H new ATOM 0 HB2 TYR A 55 2.514 -1.918 12.959 1.00 0.00 H new ATOM 0 HB3 TYR A 55 0.917 -1.331 13.376 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.778 -4.085 11.698 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -1.095 -2.738 12.954 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.722 -5.886 10.377 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.145 -4.551 11.648 1.00 0.00 H new ATOM 0 HH TYR A 55 -1.815 -6.382 10.403 1.00 0.00 H new ATOM 418 N GLY A 56 -0.112 -0.045 9.621 1.00 0.00 N ATOM 419 CA GLY A 56 -1.325 0.667 9.150 1.00 0.00 C ATOM 420 C GLY A 56 -1.285 1.054 7.662 1.00 0.00 C ATOM 421 O GLY A 56 -0.931 0.242 6.809 1.00 0.00 O ATOM 0 H GLY A 56 0.564 -0.253 8.886 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.196 0.036 9.327 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.458 1.570 9.746 1.00 0.00 H new ATOM 422 N VAL A 57 -1.691 2.281 7.340 1.00 0.00 N ATOM 423 CA VAL A 57 -1.854 2.738 5.918 1.00 0.00 C ATOM 424 C VAL A 57 -0.488 3.131 5.263 1.00 0.00 C ATOM 425 O VAL A 57 0.404 3.707 5.894 1.00 0.00 O ATOM 426 CB VAL A 57 -2.875 3.919 5.811 1.00 0.00 C ATOM 427 CG1 VAL A 57 -3.378 4.136 4.367 1.00 0.00 C ATOM 428 CG2 VAL A 57 -4.164 3.685 6.605 1.00 0.00 C ATOM 0 H VAL A 57 -1.919 2.995 8.031 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.252 1.889 5.362 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.307 4.766 6.196 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -4.084 4.967 4.348 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.533 4.363 3.718 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.873 3.231 4.014 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.826 4.543 6.486 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.662 2.789 6.235 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -3.923 3.557 7.660 1.00 0.00 H new ATOM 429 N TYR A 58 -0.356 2.836 3.964 1.00 0.00 N ATOM 430 CA TYR A 58 0.906 3.009 3.211 1.00 0.00 C ATOM 431 C TYR A 58 0.736 3.924 1.962 1.00 0.00 C ATOM 432 O TYR A 58 -0.193 3.767 1.169 1.00 0.00 O ATOM 433 CB TYR A 58 1.356 1.572 2.818 1.00 0.00 C ATOM 434 CG TYR A 58 1.619 0.565 3.965 1.00 0.00 C ATOM 435 CD1 TYR A 58 2.387 0.929 5.078 1.00 0.00 C ATOM 436 CD2 TYR A 58 1.002 -0.688 3.943 1.00 0.00 C ATOM 437 CE1 TYR A 58 2.579 0.031 6.124 1.00 0.00 C ATOM 438 CE2 TYR A 58 1.217 -1.597 4.981 1.00 0.00 C ATOM 439 CZ TYR A 58 2.003 -1.232 6.072 1.00 0.00 C ATOM 440 OH TYR A 58 2.165 -2.083 7.130 1.00 0.00 O ATOM 0 H TYR A 58 -1.121 2.469 3.398 1.00 0.00 H new ATOM 0 HA TYR A 58 1.656 3.514 3.819 1.00 0.00 H new ATOM 0 HB2 TYR A 58 0.593 1.147 2.166 1.00 0.00 H new ATOM 0 HB3 TYR A 58 2.269 1.655 2.228 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.833 1.912 5.125 1.00 0.00 H new ATOM 0 HD2 TYR A 58 0.356 -0.955 3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 58 3.177 0.317 6.977 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.775 -2.581 4.938 1.00 0.00 H new ATOM 0 HH TYR A 58 1.703 -2.927 6.945 1.00 0.00 H new ATOM 441 N TYR A 59 1.678 4.847 1.744 1.00 0.00 N ATOM 442 CA TYR A 59 1.678 5.767 0.555 1.00 0.00 C ATOM 443 C TYR A 59 1.747 5.048 -0.845 1.00 0.00 C ATOM 444 O TYR A 59 0.939 5.314 -1.736 1.00 0.00 O ATOM 445 CB TYR A 59 2.862 6.760 0.766 1.00 0.00 C ATOM 446 CG TYR A 59 2.584 7.963 1.686 1.00 0.00 C ATOM 447 CD1 TYR A 59 2.630 7.839 3.080 1.00 0.00 C ATOM 448 CD2 TYR A 59 2.299 9.210 1.120 1.00 0.00 C ATOM 449 CE1 TYR A 59 2.366 8.940 3.896 1.00 0.00 C ATOM 450 CE2 TYR A 59 2.050 10.309 1.936 1.00 0.00 C ATOM 451 CZ TYR A 59 2.069 10.174 3.318 1.00 0.00 C ATOM 452 OH TYR A 59 1.767 11.263 4.087 1.00 0.00 O ATOM 0 H TYR A 59 2.468 4.994 2.372 1.00 0.00 H new ATOM 0 HA TYR A 59 0.719 6.283 0.510 1.00 0.00 H new ATOM 0 HB2 TYR A 59 3.707 6.205 1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 59 3.170 7.138 -0.209 1.00 0.00 H new ATOM 0 HD1 TYR A 59 2.871 6.886 3.526 1.00 0.00 H new ATOM 0 HD2 TYR A 59 2.272 9.320 0.046 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.392 8.837 4.971 1.00 0.00 H new ATOM 0 HE2 TYR A 59 1.841 11.271 1.493 1.00 0.00 H new ATOM 0 HH TYR A 59 2.417 11.976 3.914 1.00 0.00 H new ATOM 453 N LYS A 60 2.715 4.141 -1.014 1.00 0.00 N ATOM 454 CA LYS A 60 2.877 3.279 -2.210 1.00 0.00 C ATOM 455 C LYS A 60 3.174 1.868 -1.617 1.00 0.00 C ATOM 456 O LYS A 60 4.115 1.711 -0.833 1.00 0.00 O ATOM 457 CB LYS A 60 4.034 3.782 -3.116 1.00 0.00 C ATOM 458 CG LYS A 60 3.795 5.149 -3.799 1.00 0.00 C ATOM 459 CD LYS A 60 4.981 5.578 -4.681 1.00 0.00 C ATOM 460 CE LYS A 60 4.855 7.036 -5.143 1.00 0.00 C ATOM 461 NZ LYS A 60 6.098 7.454 -5.817 1.00 0.00 N ATOM 0 H LYS A 60 3.432 3.975 -0.308 1.00 0.00 H new ATOM 0 HA LYS A 60 1.997 3.279 -2.853 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.941 3.849 -2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.218 3.036 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 60 2.893 5.095 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.619 5.908 -3.036 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.910 5.453 -4.125 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.040 4.925 -5.552 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.009 7.140 -5.822 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.659 7.683 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.009 8.442 -6.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.896 7.370 -5.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.267 6.845 -6.643 1.00 0.00 H new ATOM 462 N CYS A 61 2.366 0.852 -1.933 1.00 0.00 N ATOM 463 CA CYS A 61 2.480 -0.512 -1.333 1.00 0.00 C ATOM 464 C CYS A 61 3.935 -1.143 -1.191 1.00 0.00 C ATOM 465 O CYS A 61 4.679 -1.137 -2.178 1.00 0.00 O ATOM 466 CB CYS A 61 1.555 -1.396 -2.182 1.00 0.00 C ATOM 467 SG CYS A 61 -0.168 -0.900 -1.999 1.00 0.00 S ATOM 0 H CYS A 61 1.609 0.936 -2.611 1.00 0.00 H new ATOM 0 HA CYS A 61 2.195 -0.440 -0.283 1.00 0.00 H new ATOM 0 HB2 CYS A 61 1.846 -1.330 -3.230 1.00 0.00 H new ATOM 0 HB3 CYS A 61 1.670 -2.438 -1.884 1.00 0.00 H new ATOM 468 N PRO A 62 4.374 -1.695 -0.014 1.00 0.00 N ATOM 469 CA PRO A 62 5.783 -2.169 0.196 1.00 0.00 C ATOM 470 C PRO A 62 6.214 -3.554 -0.421 1.00 0.00 C ATOM 471 O PRO A 62 6.666 -4.454 0.290 1.00 0.00 O ATOM 472 CB PRO A 62 5.840 -2.115 1.742 1.00 0.00 C ATOM 473 CG PRO A 62 4.435 -2.498 2.205 1.00 0.00 C ATOM 474 CD PRO A 62 3.543 -1.774 1.207 1.00 0.00 C ATOM 0 HA PRO A 62 6.508 -1.560 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 62 6.586 -2.806 2.133 1.00 0.00 H new ATOM 0 HB3 PRO A 62 6.113 -1.119 2.092 1.00 0.00 H new ATOM 0 HG2 PRO A 62 4.280 -3.577 2.178 1.00 0.00 H new ATOM 0 HG3 PRO A 62 4.244 -2.174 3.228 1.00 0.00 H new ATOM 0 HD2 PRO A 62 2.618 -2.321 1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 62 3.263 -0.783 1.565 1.00 0.00 H new ATOM 475 N CYS A 63 6.138 -3.684 -1.760 1.00 0.00 N ATOM 476 CA CYS A 63 6.521 -4.913 -2.530 1.00 0.00 C ATOM 477 C CYS A 63 5.690 -6.217 -2.195 1.00 0.00 C ATOM 478 O CYS A 63 4.952 -6.306 -1.208 1.00 0.00 O ATOM 479 CB CYS A 63 8.059 -5.134 -2.454 1.00 0.00 C ATOM 480 SG CYS A 63 9.004 -3.666 -2.922 1.00 0.00 S ATOM 0 H CYS A 63 5.804 -2.930 -2.361 1.00 0.00 H new ATOM 0 HA CYS A 63 6.243 -4.716 -3.565 1.00 0.00 H new ATOM 0 HB2 CYS A 63 8.329 -5.426 -1.439 1.00 0.00 H new ATOM 0 HB3 CYS A 63 8.335 -5.961 -3.108 1.00 0.00 H new ATOM 481 N GLU A 64 5.768 -7.230 -3.076 1.00 0.00 N ATOM 482 CA GLU A 64 5.062 -8.529 -2.890 1.00 0.00 C ATOM 483 C GLU A 64 5.784 -9.554 -1.936 1.00 0.00 C ATOM 484 O GLU A 64 6.912 -9.341 -1.477 1.00 0.00 O ATOM 485 CB GLU A 64 4.738 -9.037 -4.331 1.00 0.00 C ATOM 486 CG GLU A 64 5.866 -9.650 -5.207 1.00 0.00 C ATOM 487 CD GLU A 64 6.178 -11.116 -4.915 1.00 0.00 C ATOM 488 OE1 GLU A 64 5.414 -12.038 -5.179 1.00 0.00 O ATOM 489 OE2 GLU A 64 7.374 -11.282 -4.297 1.00 0.00 O ATOM 0 H GLU A 64 6.316 -7.181 -3.935 1.00 0.00 H new ATOM 0 HA GLU A 64 4.138 -8.396 -2.327 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.952 -9.787 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.317 -8.198 -4.884 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.585 -9.555 -6.256 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.775 -9.065 -5.066 1.00 0.00 H new ATOM 490 N ARG A 65 5.127 -10.696 -1.637 1.00 0.00 N ATOM 491 CA ARG A 65 5.688 -11.762 -0.751 1.00 0.00 C ATOM 492 C ARG A 65 6.995 -12.409 -1.342 1.00 0.00 C ATOM 493 O ARG A 65 6.985 -13.144 -2.336 1.00 0.00 O ATOM 494 CB ARG A 65 4.546 -12.784 -0.494 1.00 0.00 C ATOM 495 CG ARG A 65 4.785 -13.814 0.642 1.00 0.00 C ATOM 496 CD ARG A 65 5.512 -15.102 0.206 1.00 0.00 C ATOM 497 NE ARG A 65 5.759 -15.987 1.377 1.00 0.00 N ATOM 498 CZ ARG A 65 6.881 -16.025 2.092 1.00 0.00 C ATOM 499 NH1 ARG A 65 7.916 -15.254 1.882 1.00 0.00 N ATOM 500 NH2 ARG A 65 6.950 -16.881 3.064 1.00 0.00 N ATOM 0 H ARG A 65 4.197 -10.913 -1.996 1.00 0.00 H new ATOM 0 HA ARG A 65 6.019 -11.341 0.198 1.00 0.00 H new ATOM 0 HB2 ARG A 65 3.636 -12.229 -0.266 1.00 0.00 H new ATOM 0 HB3 ARG A 65 4.363 -13.331 -1.419 1.00 0.00 H new ATOM 0 HG2 ARG A 65 5.365 -13.335 1.431 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.822 -14.086 1.075 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.913 -15.630 -0.536 1.00 0.00 H new ATOM 0 HD3 ARG A 65 6.459 -14.848 -0.271 1.00 0.00 H new ATOM 0 HE ARG A 65 5.006 -16.617 1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 65 7.896 -14.567 1.128 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.744 -15.340 2.472 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.160 -17.496 3.259 1.00 0.00 H new ATOM 0 HH22 ARG A 65 7.794 -16.939 3.634 1.00 0.00 H new ATOM 501 N GLY A 66 8.127 -12.091 -0.705 1.00 0.00 N ATOM 502 CA GLY A 66 9.483 -12.496 -1.192 1.00 0.00 C ATOM 503 C GLY A 66 10.262 -11.500 -2.099 1.00 0.00 C ATOM 504 O GLY A 66 11.105 -11.933 -2.888 1.00 0.00 O ATOM 0 H GLY A 66 8.147 -11.549 0.159 1.00 0.00 H new ATOM 0 HA2 GLY A 66 10.102 -12.707 -0.320 1.00 0.00 H new ATOM 0 HA3 GLY A 66 9.375 -13.432 -1.740 1.00 0.00 H new ATOM 505 N LEU A 67 10.021 -10.186 -1.972 1.00 0.00 N ATOM 506 CA LEU A 67 10.705 -9.129 -2.768 1.00 0.00 C ATOM 507 C LEU A 67 11.012 -7.885 -1.866 1.00 0.00 C ATOM 508 O LEU A 67 10.177 -7.476 -1.054 1.00 0.00 O ATOM 509 CB LEU A 67 9.779 -8.786 -3.971 1.00 0.00 C ATOM 510 CG LEU A 67 10.459 -8.063 -5.157 1.00 0.00 C ATOM 511 CD1 LEU A 67 11.329 -9.027 -5.970 1.00 0.00 C ATOM 512 CD2 LEU A 67 9.410 -7.461 -6.093 1.00 0.00 C ATOM 0 H LEU A 67 9.341 -9.813 -1.310 1.00 0.00 H new ATOM 0 HA LEU A 67 11.668 -9.471 -3.146 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.336 -9.711 -4.340 1.00 0.00 H new ATOM 0 HB3 LEU A 67 8.961 -8.162 -3.610 1.00 0.00 H new ATOM 0 HG LEU A 67 11.084 -7.275 -4.736 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.793 -8.489 -6.796 1.00 0.00 H new ATOM 0 HD12 LEU A 67 12.104 -9.446 -5.329 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.709 -9.832 -6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 67 9.908 -6.957 -6.921 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.772 -8.254 -6.482 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.802 -6.743 -5.544 1.00 0.00 H new ATOM 513 N THR A 68 12.202 -7.271 -1.996 1.00 0.00 N ATOM 514 CA THR A 68 12.621 -6.132 -1.124 1.00 0.00 C ATOM 515 C THR A 68 12.407 -4.741 -1.800 1.00 0.00 C ATOM 516 O THR A 68 12.431 -4.598 -3.021 1.00 0.00 O ATOM 517 CB THR A 68 14.122 -6.358 -0.710 1.00 0.00 C ATOM 518 OG1 THR A 68 14.261 -6.076 0.675 1.00 0.00 O ATOM 519 CG2 THR A 68 15.192 -5.492 -1.396 1.00 0.00 C ATOM 0 H THR A 68 12.898 -7.536 -2.693 1.00 0.00 H new ATOM 0 HA THR A 68 11.989 -6.114 -0.236 1.00 0.00 H new ATOM 0 HB THR A 68 14.305 -7.389 -1.013 1.00 0.00 H new ATOM 0 HG1 THR A 68 15.193 -6.215 0.945 1.00 0.00 H new ATOM 0 HG21 THR A 68 16.177 -5.758 -1.012 1.00 0.00 H new ATOM 0 HG22 THR A 68 15.164 -5.663 -2.472 1.00 0.00 H new ATOM 0 HG23 THR A 68 14.995 -4.440 -1.191 1.00 0.00 H new ATOM 520 N CYS A 69 12.235 -3.713 -0.973 1.00 0.00 N ATOM 521 CA CYS A 69 12.186 -2.302 -1.436 1.00 0.00 C ATOM 522 C CYS A 69 13.603 -1.624 -1.326 1.00 0.00 C ATOM 523 O CYS A 69 14.344 -1.908 -0.378 1.00 0.00 O ATOM 524 CB CYS A 69 11.086 -1.621 -0.608 1.00 0.00 C ATOM 525 SG CYS A 69 10.592 -0.098 -1.431 1.00 0.00 S ATOM 0 H CYS A 69 12.125 -3.819 0.035 1.00 0.00 H new ATOM 0 HA CYS A 69 11.937 -2.215 -2.494 1.00 0.00 H new ATOM 0 HB2 CYS A 69 10.229 -2.286 -0.501 1.00 0.00 H new ATOM 0 HB3 CYS A 69 11.450 -1.405 0.397 1.00 0.00 H new ATOM 526 N GLU A 70 13.976 -0.695 -2.228 1.00 0.00 N ATOM 527 CA GLU A 70 15.301 0.003 -2.145 1.00 0.00 C ATOM 528 C GLU A 70 15.139 1.407 -1.447 1.00 0.00 C ATOM 529 O GLU A 70 14.799 1.437 -0.260 1.00 0.00 O ATOM 530 CB GLU A 70 15.953 -0.023 -3.566 1.00 0.00 C ATOM 531 CG GLU A 70 16.369 -1.414 -4.130 1.00 0.00 C ATOM 532 CD GLU A 70 17.462 -2.175 -3.377 1.00 0.00 C ATOM 533 OE1 GLU A 70 18.352 -1.645 -2.721 1.00 0.00 O ATOM 534 OE2 GLU A 70 17.350 -3.521 -3.536 1.00 0.00 O ATOM 0 H GLU A 70 13.397 -0.405 -3.016 1.00 0.00 H new ATOM 0 HA GLU A 70 16.011 -0.507 -1.494 1.00 0.00 H new ATOM 0 HB2 GLU A 70 15.253 0.431 -4.268 1.00 0.00 H new ATOM 0 HB3 GLU A 70 16.839 0.612 -3.543 1.00 0.00 H new ATOM 0 HG2 GLU A 70 15.480 -2.044 -4.164 1.00 0.00 H new ATOM 0 HG3 GLU A 70 16.701 -1.276 -5.159 1.00 0.00 H new ATOM 625 N PHE A 84 9.081 7.203 -3.824 1.00 0.00 N ATOM 626 CA PHE A 84 9.615 6.154 -2.903 1.00 0.00 C ATOM 627 C PHE A 84 10.518 5.104 -3.652 1.00 0.00 C ATOM 628 O PHE A 84 10.623 5.083 -4.885 1.00 0.00 O ATOM 629 CB PHE A 84 8.400 5.534 -2.150 1.00 0.00 C ATOM 630 CG PHE A 84 7.675 6.434 -1.124 1.00 0.00 C ATOM 631 CD1 PHE A 84 6.603 7.240 -1.519 1.00 0.00 C ATOM 632 CD2 PHE A 84 8.070 6.437 0.220 1.00 0.00 C ATOM 633 CE1 PHE A 84 5.944 8.043 -0.591 1.00 0.00 C ATOM 634 CE2 PHE A 84 7.401 7.231 1.150 1.00 0.00 C ATOM 635 CZ PHE A 84 6.344 8.040 0.742 1.00 0.00 C ATOM 0 HA PHE A 84 10.293 6.591 -2.170 1.00 0.00 H new ATOM 0 HB2 PHE A 84 7.670 5.212 -2.893 1.00 0.00 H new ATOM 0 HB3 PHE A 84 8.744 4.639 -1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 84 6.284 7.240 -2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 84 8.898 5.820 0.538 1.00 0.00 H new ATOM 0 HE1 PHE A 84 5.122 8.668 -0.906 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.703 7.219 2.187 1.00 0.00 H new ATOM 0 HZ PHE A 84 5.834 8.665 1.460 1.00 0.00 H new ATOM 636 N GLY A 85 11.258 4.284 -2.882 1.00 0.00 N ATOM 637 CA GLY A 85 12.246 3.310 -3.438 1.00 0.00 C ATOM 638 C GLY A 85 11.752 2.197 -4.379 1.00 0.00 C ATOM 639 O GLY A 85 10.574 1.868 -4.392 1.00 0.00 O ATOM 0 H GLY A 85 11.197 4.269 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.004 3.881 -3.974 1.00 0.00 H new ATOM 0 HA3 GLY A 85 12.745 2.831 -2.595 1.00 0.00 H new ATOM 640 N ILE A 86 12.649 1.569 -5.142 1.00 0.00 N ATOM 641 CA ILE A 86 12.233 0.601 -6.210 1.00 0.00 C ATOM 642 C ILE A 86 12.283 -0.876 -5.674 1.00 0.00 C ATOM 643 O ILE A 86 13.238 -1.294 -5.018 1.00 0.00 O ATOM 644 CB ILE A 86 13.120 0.796 -7.497 1.00 0.00 C ATOM 645 CG1 ILE A 86 13.184 2.253 -8.061 1.00 0.00 C ATOM 646 CG2 ILE A 86 12.629 -0.120 -8.647 1.00 0.00 C ATOM 647 CD1 ILE A 86 11.885 2.794 -8.689 1.00 0.00 C ATOM 0 H ILE A 86 13.657 1.697 -5.058 1.00 0.00 H new ATOM 0 HA ILE A 86 11.199 0.803 -6.490 1.00 0.00 H new ATOM 0 HB ILE A 86 14.122 0.537 -7.156 1.00 0.00 H new ATOM 0 HG12 ILE A 86 13.478 2.922 -7.252 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.972 2.296 -8.813 1.00 0.00 H new ATOM 0 HG21 ILE A 86 13.256 0.031 -9.526 1.00 0.00 H new ATOM 0 HG22 ILE A 86 12.689 -1.162 -8.333 1.00 0.00 H new ATOM 0 HG23 ILE A 86 11.596 0.126 -8.892 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.049 3.811 -9.045 1.00 0.00 H new ATOM 0 HD12 ILE A 86 11.594 2.159 -9.526 1.00 0.00 H new ATOM 0 HD13 ILE A 86 11.092 2.795 -7.941 1.00 0.00 H new ATOM 648 N CYS A 87 11.257 -1.678 -5.994 1.00 0.00 N ATOM 649 CA CYS A 87 11.209 -3.126 -5.662 1.00 0.00 C ATOM 650 C CYS A 87 12.253 -4.005 -6.436 1.00 0.00 C ATOM 651 O CYS A 87 12.287 -3.970 -7.670 1.00 0.00 O ATOM 652 CB CYS A 87 9.776 -3.575 -6.005 1.00 0.00 C ATOM 653 SG CYS A 87 8.564 -3.046 -4.783 1.00 0.00 S ATOM 0 H CYS A 87 10.430 -1.348 -6.492 1.00 0.00 H new ATOM 0 HA CYS A 87 11.469 -3.263 -4.612 1.00 0.00 H new ATOM 0 HB2 CYS A 87 9.499 -3.175 -6.980 1.00 0.00 H new ATOM 0 HB3 CYS A 87 9.751 -4.662 -6.087 1.00 0.00 H new ATOM 654 N HIS A 88 13.113 -4.770 -5.738 1.00 0.00 N ATOM 655 CA HIS A 88 14.065 -5.719 -6.370 1.00 0.00 C ATOM 656 C HIS A 88 14.252 -7.010 -5.506 1.00 0.00 C ATOM 657 O HIS A 88 14.012 -7.057 -4.296 1.00 0.00 O ATOM 658 CB HIS A 88 15.415 -5.004 -6.610 1.00 0.00 C ATOM 659 CG HIS A 88 15.462 -4.064 -7.814 1.00 0.00 C ATOM 660 ND1 HIS A 88 15.603 -4.525 -9.117 1.00 0.00 N ATOM 661 CD2 HIS A 88 15.251 -2.674 -7.799 1.00 0.00 C ATOM 662 CE1 HIS A 88 15.466 -3.336 -9.787 1.00 0.00 C ATOM 663 NE2 HIS A 88 15.286 -2.175 -9.089 1.00 0.00 N ATOM 0 H HIS A 88 13.172 -4.752 -4.720 1.00 0.00 H new ATOM 0 HA HIS A 88 13.656 -6.041 -7.328 1.00 0.00 H new ATOM 0 HB2 HIS A 88 15.667 -4.433 -5.716 1.00 0.00 H new ATOM 0 HB3 HIS A 88 16.189 -5.761 -6.733 1.00 0.00 H new ATOM 0 HD2 HIS A 88 15.086 -2.082 -6.911 1.00 0.00 H new ATOM 0 HE1 HIS A 88 15.500 -3.317 -10.866 1.00 0.00 H new ATOM 0 HE2 HIS A 88 15.202 -1.215 -9.423 1.00 0.00 H new ATOM 664 N ASN A 89 14.732 -8.078 -6.152 1.00 0.00 N ATOM 665 CA ASN A 89 15.059 -9.360 -5.484 1.00 0.00 C ATOM 666 C ASN A 89 16.596 -9.466 -5.213 1.00 0.00 C ATOM 667 O ASN A 89 17.434 -9.235 -6.088 1.00 0.00 O ATOM 668 CB ASN A 89 14.544 -10.480 -6.415 1.00 0.00 C ATOM 669 CG ASN A 89 14.508 -11.866 -5.769 1.00 0.00 C ATOM 670 OD1 ASN A 89 15.517 -12.549 -5.645 1.00 0.00 O ATOM 671 ND2 ASN A 89 13.378 -12.313 -5.288 1.00 0.00 N ATOM 0 H ASN A 89 14.908 -8.086 -7.157 1.00 0.00 H new ATOM 0 HA ASN A 89 14.583 -9.440 -4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 89 13.540 -10.223 -6.753 1.00 0.00 H new ATOM 0 HB3 ASN A 89 15.178 -10.521 -7.301 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.346 -13.218 -4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 89 12.528 -11.757 -5.382 1.00 0.00 H new ATOM 672 N VAL A 90 16.937 -9.855 -3.984 1.00 0.00 N ATOM 673 CA VAL A 90 18.368 -10.001 -3.534 1.00 0.00 C ATOM 674 C VAL A 90 18.839 -11.510 -3.381 1.00 0.00 C ATOM 675 O VAL A 90 19.983 -11.755 -2.987 1.00 0.00 O ATOM 676 CB VAL A 90 18.545 -9.095 -2.249 1.00 0.00 C ATOM 677 CG1 VAL A 90 19.972 -9.092 -1.647 1.00 0.00 C ATOM 678 CG2 VAL A 90 18.218 -7.595 -2.490 1.00 0.00 C ATOM 0 H VAL A 90 16.255 -10.082 -3.261 1.00 0.00 H new ATOM 0 HA VAL A 90 19.052 -9.646 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 90 17.836 -9.562 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 90 19.996 -8.444 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 90 20.246 -10.106 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 90 20.680 -8.724 -2.390 1.00 0.00 H new ATOM 0 HG21 VAL A 90 18.362 -7.038 -1.564 1.00 0.00 H new ATOM 0 HG22 VAL A 90 18.880 -7.197 -3.260 1.00 0.00 H new ATOM 0 HG23 VAL A 90 17.182 -7.496 -2.815 1.00 0.00 H new