USER MOD reduce.3.24.130724 H: found=0, std=0, add=825, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 826 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 46 THR OG1 : rot 159:sc= 0.699 USER MOD Set 1.2: A 48 SER OG : rot 130:sc= -0.63 USER MOD Set 2.1: A 24 LYS NZ :NH3+ -149:sc= -0.202 (180deg=-3.08!) USER MOD Set 2.2: A 82 ASN : amide:sc= 0.627 K(o=0.43,f=-16!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 ASN : amide:sc= -0.646 K(o=-0.65,f=-6.6!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -0.135 USER MOD Single : A 19 ASN : amide:sc= -0.834 K(o=-0.83,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 38:sc= 1.23 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 41 HIS : no HD1:sc= -0.408 X(o=-0.41,f=-0.03) USER MOD Single : A 43 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00359) USER MOD Single : A 45 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.09) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot -5:sc= 1.1 USER MOD Single : A 53 LYS NZ :NH3+ -131:sc= 0 (180deg=-0.00468) USER MOD Single : A 57 THR OG1 : rot -26:sc= 0.531 USER MOD Single : A 61 LYS NZ :NH3+ 167:sc= 0.11 (180deg=0.0535) USER MOD Single : A 62 ASN : amide:sc= -0.741 K(o=-0.74,f=-0.0031) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0379 K(o=-0.038,f=-1.9) USER MOD Single : A 75 TYR OH : rot 150:sc= -0.108 USER MOD Single : A 83 ASN : amide:sc= -1.1 K(o=-1.1,f=-3.1!) USER MOD Single : A 84 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0685) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -106:sc= 0.526 (180deg=-0.107) USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -1.16! K(o=-1.2!,f=-0.072) USER MOD ----------------------------------------------------------------- ATOM 20 N ILE A 2 -0.491 12.374 -5.563 1.00 0.00 N ATOM 21 CA ILE A 2 -0.664 11.479 -4.428 1.00 0.00 C ATOM 22 C ILE A 2 -2.149 11.149 -4.264 1.00 0.00 C ATOM 23 O ILE A 2 -2.864 11.759 -3.464 1.00 0.00 O ATOM 24 CB ILE A 2 -0.089 12.095 -3.129 1.00 0.00 C ATOM 25 CG1 ILE A 2 -0.595 13.532 -2.932 1.00 0.00 C ATOM 26 CG2 ILE A 2 1.433 12.069 -3.166 1.00 0.00 C ATOM 27 CD1 ILE A 2 -0.087 14.188 -1.668 1.00 0.00 C ATOM 0 HA ILE A 2 -0.110 10.560 -4.620 1.00 0.00 H new ATOM 0 HB ILE A 2 -0.432 11.497 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -0.294 14.134 -3.789 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -1.685 13.525 -2.914 1.00 0.00 H new ATOM 0 HG21 ILE A 2 1.827 12.505 -2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 2 1.777 11.039 -3.256 1.00 0.00 H new ATOM 0 HG23 ILE A 2 1.786 12.645 -4.021 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -0.486 15.200 -1.597 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -0.410 13.609 -0.803 1.00 0.00 H new ATOM 0 HD13 ILE A 2 1.002 14.228 -1.691 1.00 0.00 H new ATOM 39 N ARG A 3 -2.610 10.171 -5.030 1.00 0.00 N ATOM 40 CA ARG A 3 -4.014 9.952 -5.216 1.00 0.00 C ATOM 41 C ARG A 3 -4.405 8.496 -5.012 1.00 0.00 C ATOM 42 O ARG A 3 -3.618 7.588 -5.237 1.00 0.00 O ATOM 43 CB ARG A 3 -4.368 10.352 -6.629 1.00 0.00 C ATOM 44 CG ARG A 3 -3.292 10.027 -7.651 1.00 0.00 C ATOM 45 CD ARG A 3 -3.752 10.350 -9.060 1.00 0.00 C ATOM 46 NE ARG A 3 -2.734 10.043 -10.062 1.00 0.00 N ATOM 47 CZ ARG A 3 -2.694 10.596 -11.271 1.00 0.00 C ATOM 48 NH1 ARG A 3 -3.614 11.485 -11.627 1.00 0.00 N ATOM 49 NH2 ARG A 3 -1.738 10.254 -12.123 1.00 0.00 N ATOM 0 H ARG A 3 -2.013 9.515 -5.534 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.552 10.546 -4.477 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.292 9.850 -6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -4.566 11.424 -6.654 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -2.389 10.593 -7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -3.032 8.971 -7.585 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -4.658 9.786 -9.282 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -4.011 11.407 -9.121 1.00 0.00 H new ATOM 0 HE ARG A 3 -2.012 9.365 -9.820 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.352 11.745 -10.973 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.582 11.908 -12.554 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -1.034 9.568 -11.851 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -1.706 10.677 -13.050 1.00 0.00 H new ATOM 63 N PHE A 4 -5.644 8.291 -4.604 1.00 0.00 N ATOM 64 CA PHE A 4 -6.207 6.959 -4.523 1.00 0.00 C ATOM 65 C PHE A 4 -7.091 6.697 -5.734 1.00 0.00 C ATOM 66 O PHE A 4 -7.987 7.481 -6.050 1.00 0.00 O ATOM 67 CB PHE A 4 -6.993 6.771 -3.218 1.00 0.00 C ATOM 68 CG PHE A 4 -8.005 7.845 -2.928 1.00 0.00 C ATOM 69 CD1 PHE A 4 -9.303 7.743 -3.398 1.00 0.00 C ATOM 70 CD2 PHE A 4 -7.655 8.955 -2.176 1.00 0.00 C ATOM 71 CE1 PHE A 4 -10.231 8.726 -3.128 1.00 0.00 C ATOM 72 CE2 PHE A 4 -8.580 9.943 -1.902 1.00 0.00 C ATOM 73 CZ PHE A 4 -9.870 9.828 -2.379 1.00 0.00 C ATOM 0 H PHE A 4 -6.281 9.036 -4.322 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.392 6.235 -4.521 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.505 5.810 -3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -6.287 6.724 -2.389 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -9.592 6.883 -3.983 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -6.647 9.049 -1.800 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -11.240 8.634 -3.502 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -8.295 10.804 -1.316 1.00 0.00 H new ATOM 0 HZ PHE A 4 -10.596 10.599 -2.167 1.00 0.00 H new ATOM 83 N GLU A 5 -6.810 5.611 -6.425 1.00 0.00 N ATOM 84 CA GLU A 5 -7.579 5.223 -7.589 1.00 0.00 C ATOM 85 C GLU A 5 -8.189 3.867 -7.345 1.00 0.00 C ATOM 86 O GLU A 5 -7.679 2.829 -7.767 1.00 0.00 O ATOM 87 CB GLU A 5 -6.706 5.223 -8.846 1.00 0.00 C ATOM 88 CG GLU A 5 -6.326 6.616 -9.327 1.00 0.00 C ATOM 89 CD GLU A 5 -7.504 7.364 -9.920 1.00 0.00 C ATOM 90 OE1 GLU A 5 -8.099 8.211 -9.223 1.00 0.00 O ATOM 91 OE2 GLU A 5 -7.844 7.102 -11.093 1.00 0.00 O ATOM 0 H GLU A 5 -6.046 4.975 -6.197 1.00 0.00 H new ATOM 0 HA GLU A 5 -8.377 5.947 -7.754 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.796 4.657 -8.646 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.235 4.704 -9.645 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.919 7.187 -8.492 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.536 6.537 -10.074 1.00 0.00 H new ATOM 98 N ILE A 6 -9.292 3.904 -6.648 1.00 0.00 N ATOM 99 CA ILE A 6 -9.968 2.718 -6.214 1.00 0.00 C ATOM 100 C ILE A 6 -11.072 2.362 -7.188 1.00 0.00 C ATOM 101 O ILE A 6 -11.790 3.226 -7.688 1.00 0.00 O ATOM 102 CB ILE A 6 -10.609 2.956 -4.841 1.00 0.00 C ATOM 103 CG1 ILE A 6 -9.531 3.322 -3.818 1.00 0.00 C ATOM 104 CG2 ILE A 6 -11.419 1.728 -4.384 1.00 0.00 C ATOM 105 CD1 ILE A 6 -10.079 3.923 -2.544 1.00 0.00 C ATOM 0 H ILE A 6 -9.750 4.770 -6.364 1.00 0.00 H new ATOM 0 HA ILE A 6 -9.239 1.910 -6.159 1.00 0.00 H new ATOM 0 HB ILE A 6 -11.306 3.790 -4.923 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -8.959 2.428 -3.570 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -8.836 4.028 -4.273 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -11.861 1.927 -3.408 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -12.210 1.524 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -10.760 0.863 -4.314 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -9.256 4.156 -1.868 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -10.626 4.836 -2.778 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -10.751 3.211 -2.065 1.00 0.00 H new ATOM 117 N HIS A 7 -11.181 1.094 -7.449 1.00 0.00 N ATOM 118 CA HIS A 7 -12.307 0.545 -8.169 1.00 0.00 C ATOM 119 C HIS A 7 -12.946 -0.476 -7.297 1.00 0.00 C ATOM 120 O HIS A 7 -12.479 -1.613 -7.231 1.00 0.00 O ATOM 121 CB HIS A 7 -11.892 -0.143 -9.448 1.00 0.00 C ATOM 122 CG HIS A 7 -11.769 0.773 -10.630 1.00 0.00 C ATOM 123 ND1 HIS A 7 -10.598 1.408 -10.991 1.00 0.00 N ATOM 124 CD2 HIS A 7 -12.693 1.157 -11.542 1.00 0.00 C ATOM 125 CE1 HIS A 7 -10.814 2.139 -12.070 1.00 0.00 C ATOM 126 NE2 HIS A 7 -12.074 2.002 -12.425 1.00 0.00 N ATOM 0 H HIS A 7 -10.489 0.399 -7.169 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.978 1.365 -8.425 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.935 -0.639 -9.286 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.619 -0.921 -9.680 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.729 0.853 -11.569 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -10.079 2.747 -12.576 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -12.517 2.451 -13.226 1.00 0.00 H new ATOM 135 N GLY A 8 -13.982 -0.110 -6.605 1.00 0.00 N ATOM 136 CA GLY A 8 -14.495 -1.049 -5.685 1.00 0.00 C ATOM 137 C GLY A 8 -15.787 -1.690 -6.164 1.00 0.00 C ATOM 138 O GLY A 8 -16.827 -1.032 -6.234 1.00 0.00 O ATOM 0 H GLY A 8 -14.462 0.788 -6.660 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -13.751 -1.826 -5.511 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -14.671 -0.557 -4.729 1.00 0.00 H new ATOM 142 N ASP A 9 -15.725 -2.973 -6.492 1.00 0.00 N ATOM 143 CA ASP A 9 -16.893 -3.706 -6.969 1.00 0.00 C ATOM 144 C ASP A 9 -17.616 -4.365 -5.798 1.00 0.00 C ATOM 145 O ASP A 9 -17.478 -5.561 -5.546 1.00 0.00 O ATOM 146 CB ASP A 9 -16.480 -4.756 -8.004 1.00 0.00 C ATOM 147 CG ASP A 9 -17.667 -5.433 -8.664 1.00 0.00 C ATOM 148 OD1 ASP A 9 -17.922 -6.623 -8.379 1.00 0.00 O ATOM 149 OD2 ASP A 9 -18.341 -4.779 -9.489 1.00 0.00 O ATOM 0 H ASP A 9 -14.874 -3.532 -6.436 1.00 0.00 H new ATOM 0 HA ASP A 9 -17.575 -3.003 -7.447 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -15.866 -4.282 -8.770 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -15.860 -5.511 -7.521 1.00 0.00 H new ATOM 154 N ASN A 10 -18.374 -3.564 -5.075 1.00 0.00 N ATOM 155 CA ASN A 10 -19.112 -4.034 -3.912 1.00 0.00 C ATOM 156 C ASN A 10 -20.514 -3.445 -3.919 1.00 0.00 C ATOM 157 O ASN A 10 -20.949 -2.898 -4.932 1.00 0.00 O ATOM 158 CB ASN A 10 -18.380 -3.644 -2.622 1.00 0.00 C ATOM 159 CG ASN A 10 -18.323 -2.141 -2.394 1.00 0.00 C ATOM 160 OD1 ASN A 10 -18.308 -1.349 -3.337 1.00 0.00 O ATOM 161 ND2 ASN A 10 -18.297 -1.739 -1.134 1.00 0.00 N ATOM 0 H ASN A 10 -18.498 -2.571 -5.274 1.00 0.00 H new ATOM 0 HA ASN A 10 -19.182 -5.121 -3.954 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -18.877 -4.115 -1.774 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -17.364 -4.038 -2.655 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.263 -0.743 -0.917 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -18.311 -2.425 -0.379 1.00 0.00 H new ATOM 168 N LEU A 11 -21.216 -3.558 -2.796 1.00 0.00 N ATOM 169 CA LEU A 11 -22.545 -2.971 -2.670 1.00 0.00 C ATOM 170 C LEU A 11 -22.457 -1.461 -2.847 1.00 0.00 C ATOM 171 O LEU A 11 -23.133 -0.880 -3.696 1.00 0.00 O ATOM 172 CB LEU A 11 -23.182 -3.299 -1.308 1.00 0.00 C ATOM 173 CG LEU A 11 -23.420 -4.786 -0.999 1.00 0.00 C ATOM 174 CD1 LEU A 11 -23.989 -5.508 -2.209 1.00 0.00 C ATOM 175 CD2 LEU A 11 -22.145 -5.459 -0.513 1.00 0.00 C ATOM 0 H LEU A 11 -20.889 -4.048 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 11 -23.178 -3.399 -3.448 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -22.545 -2.886 -0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -24.139 -2.781 -1.246 1.00 0.00 H new ATOM 0 HG LEU A 11 -24.154 -4.845 -0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -24.148 -6.558 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -24.939 -5.053 -2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -23.289 -5.431 -3.041 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -22.346 -6.510 -0.303 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -21.377 -5.383 -1.283 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -21.797 -4.967 0.396 1.00 0.00 H new ATOM 187 N THR A 12 -21.605 -0.832 -2.050 1.00 0.00 N ATOM 188 CA THR A 12 -21.378 0.600 -2.151 1.00 0.00 C ATOM 189 C THR A 12 -20.111 0.996 -1.398 1.00 0.00 C ATOM 190 O THR A 12 -19.918 0.614 -0.243 1.00 0.00 O ATOM 191 CB THR A 12 -22.587 1.409 -1.611 1.00 0.00 C ATOM 192 OG1 THR A 12 -22.294 2.814 -1.622 1.00 0.00 O ATOM 193 CG2 THR A 12 -22.961 0.979 -0.199 1.00 0.00 C ATOM 0 H THR A 12 -21.058 -1.294 -1.324 1.00 0.00 H new ATOM 0 HA THR A 12 -21.256 0.837 -3.208 1.00 0.00 H new ATOM 0 HB THR A 12 -23.434 1.208 -2.267 1.00 0.00 H new ATOM 0 HG1 THR A 12 -23.066 3.312 -1.280 1.00 0.00 H new ATOM 0 HG21 THR A 12 -23.811 1.567 0.147 1.00 0.00 H new ATOM 0 HG22 THR A 12 -23.226 -0.078 -0.199 1.00 0.00 H new ATOM 0 HG23 THR A 12 -22.113 1.140 0.467 1.00 0.00 H new ATOM 201 N ILE A 13 -19.227 1.725 -2.065 1.00 0.00 N ATOM 202 CA ILE A 13 -18.062 2.274 -1.393 1.00 0.00 C ATOM 203 C ILE A 13 -18.437 3.580 -0.712 1.00 0.00 C ATOM 204 O ILE A 13 -19.004 4.480 -1.334 1.00 0.00 O ATOM 205 CB ILE A 13 -16.862 2.508 -2.341 1.00 0.00 C ATOM 206 CG1 ILE A 13 -17.253 3.404 -3.520 1.00 0.00 C ATOM 207 CG2 ILE A 13 -16.309 1.179 -2.834 1.00 0.00 C ATOM 208 CD1 ILE A 13 -16.077 3.825 -4.374 1.00 0.00 C ATOM 0 H ILE A 13 -19.294 1.947 -3.058 1.00 0.00 H new ATOM 0 HA ILE A 13 -17.743 1.534 -0.659 1.00 0.00 H new ATOM 0 HB ILE A 13 -16.082 3.022 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -17.974 2.876 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -17.753 4.295 -3.139 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -15.465 1.361 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -15.978 0.584 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -17.087 0.639 -3.373 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -16.428 4.457 -5.190 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -15.365 4.381 -3.764 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -15.590 2.940 -4.784 1.00 0.00 H new ATOM 220 N THR A 14 -18.150 3.668 0.567 1.00 0.00 N ATOM 221 CA THR A 14 -18.492 4.845 1.334 1.00 0.00 C ATOM 222 C THR A 14 -17.297 5.781 1.432 1.00 0.00 C ATOM 223 O THR A 14 -16.145 5.363 1.257 1.00 0.00 O ATOM 224 CB THR A 14 -18.964 4.455 2.746 1.00 0.00 C ATOM 225 OG1 THR A 14 -18.027 3.553 3.340 1.00 0.00 O ATOM 226 CG2 THR A 14 -20.342 3.808 2.700 1.00 0.00 C ATOM 0 H THR A 14 -17.679 2.936 1.100 1.00 0.00 H new ATOM 0 HA THR A 14 -19.305 5.359 0.821 1.00 0.00 H new ATOM 0 HB THR A 14 -19.029 5.362 3.348 1.00 0.00 H new ATOM 0 HG1 THR A 14 -18.332 3.310 4.239 1.00 0.00 H new ATOM 0 HG21 THR A 14 -20.653 3.542 3.710 1.00 0.00 H new ATOM 0 HG22 THR A 14 -21.059 4.509 2.273 1.00 0.00 H new ATOM 0 HG23 THR A 14 -20.302 2.910 2.084 1.00 0.00 H new ATOM 234 N ASP A 15 -17.572 7.050 1.712 1.00 0.00 N ATOM 235 CA ASP A 15 -16.520 8.045 1.870 1.00 0.00 C ATOM 236 C ASP A 15 -15.701 7.756 3.115 1.00 0.00 C ATOM 237 O ASP A 15 -14.649 8.348 3.327 1.00 0.00 O ATOM 238 CB ASP A 15 -17.094 9.461 1.927 1.00 0.00 C ATOM 239 CG ASP A 15 -17.560 9.943 0.571 1.00 0.00 C ATOM 240 OD1 ASP A 15 -18.769 9.845 0.281 1.00 0.00 O ATOM 241 OD2 ASP A 15 -16.716 10.415 -0.219 1.00 0.00 O ATOM 0 H ASP A 15 -18.517 7.414 1.834 1.00 0.00 H new ATOM 0 HA ASP A 15 -15.870 7.984 0.997 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -17.930 9.485 2.626 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -16.336 10.143 2.313 1.00 0.00 H new ATOM 246 N ALA A 16 -16.211 6.844 3.934 1.00 0.00 N ATOM 247 CA ALA A 16 -15.495 6.328 5.092 1.00 0.00 C ATOM 248 C ALA A 16 -14.144 5.776 4.685 1.00 0.00 C ATOM 249 O ALA A 16 -13.098 6.223 5.152 1.00 0.00 O ATOM 250 CB ALA A 16 -16.296 5.206 5.715 1.00 0.00 C ATOM 0 H ALA A 16 -17.139 6.440 3.812 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.354 7.144 5.800 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.763 4.817 6.583 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -17.270 5.584 6.027 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -16.433 4.408 4.985 1.00 0.00 H new ATOM 256 N ILE A 17 -14.199 4.787 3.813 1.00 0.00 N ATOM 257 CA ILE A 17 -13.014 4.131 3.297 1.00 0.00 C ATOM 258 C ILE A 17 -12.215 5.094 2.455 1.00 0.00 C ATOM 259 O ILE A 17 -11.000 5.137 2.528 1.00 0.00 O ATOM 260 CB ILE A 17 -13.399 2.934 2.423 1.00 0.00 C ATOM 261 CG1 ILE A 17 -13.939 1.788 3.276 1.00 0.00 C ATOM 262 CG2 ILE A 17 -12.218 2.454 1.586 1.00 0.00 C ATOM 263 CD1 ILE A 17 -15.409 1.897 3.608 1.00 0.00 C ATOM 0 H ILE A 17 -15.073 4.414 3.441 1.00 0.00 H new ATOM 0 HA ILE A 17 -12.422 3.791 4.146 1.00 0.00 H new ATOM 0 HB ILE A 17 -14.185 3.265 1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.766 0.848 2.752 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -13.371 1.744 4.205 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -12.525 1.604 0.977 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.880 3.262 0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.403 2.153 2.245 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -15.709 1.043 4.216 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -15.590 2.818 4.162 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -15.990 1.908 2.686 1.00 0.00 H new ATOM 275 N ARG A 18 -12.930 5.848 1.642 1.00 0.00 N ATOM 276 CA ARG A 18 -12.301 6.817 0.788 1.00 0.00 C ATOM 277 C ARG A 18 -11.432 7.734 1.644 1.00 0.00 C ATOM 278 O ARG A 18 -10.257 7.974 1.351 1.00 0.00 O ATOM 279 CB ARG A 18 -13.360 7.613 0.027 1.00 0.00 C ATOM 280 CG ARG A 18 -12.802 8.727 -0.835 1.00 0.00 C ATOM 281 CD ARG A 18 -13.892 9.367 -1.678 1.00 0.00 C ATOM 282 NE ARG A 18 -14.363 8.463 -2.729 1.00 0.00 N ATOM 283 CZ ARG A 18 -15.628 8.375 -3.139 1.00 0.00 C ATOM 284 NH1 ARG A 18 -16.584 9.068 -2.534 1.00 0.00 N ATOM 285 NH2 ARG A 18 -15.938 7.567 -4.144 1.00 0.00 N ATOM 0 H ARG A 18 -13.946 5.803 1.560 1.00 0.00 H new ATOM 0 HA ARG A 18 -11.672 6.316 0.052 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.927 6.930 -0.605 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -14.061 8.040 0.744 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.337 9.483 -0.202 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -12.021 8.332 -1.485 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.728 9.649 -1.039 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.512 10.284 -2.129 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.675 7.859 -3.179 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.354 9.675 -1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.549 8.994 -2.856 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -15.210 7.017 -4.599 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -16.905 7.496 -4.462 1.00 0.00 H new ATOM 299 N ASN A 19 -12.026 8.190 2.742 1.00 0.00 N ATOM 300 CA ASN A 19 -11.315 8.957 3.744 1.00 0.00 C ATOM 301 C ASN A 19 -10.202 8.109 4.319 1.00 0.00 C ATOM 302 O ASN A 19 -9.063 8.530 4.358 1.00 0.00 O ATOM 303 CB ASN A 19 -12.261 9.373 4.869 1.00 0.00 C ATOM 304 CG ASN A 19 -11.927 10.746 5.420 1.00 0.00 C ATOM 305 OD1 ASN A 19 -12.383 11.763 4.898 1.00 0.00 O ATOM 306 ND2 ASN A 19 -11.141 10.785 6.482 1.00 0.00 N ATOM 0 H ASN A 19 -13.011 8.036 2.957 1.00 0.00 H new ATOM 0 HA ASN A 19 -10.905 9.853 3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -13.286 9.372 4.499 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -12.212 8.639 5.673 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -10.892 11.682 6.899 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -10.784 9.918 6.884 1.00 0.00 H new ATOM 313 N TYR A 20 -10.555 6.893 4.724 1.00 0.00 N ATOM 314 CA TYR A 20 -9.597 5.929 5.285 1.00 0.00 C ATOM 315 C TYR A 20 -8.354 5.815 4.402 1.00 0.00 C ATOM 316 O TYR A 20 -7.234 5.671 4.895 1.00 0.00 O ATOM 317 CB TYR A 20 -10.238 4.536 5.416 1.00 0.00 C ATOM 318 CG TYR A 20 -9.527 3.621 6.393 1.00 0.00 C ATOM 319 CD1 TYR A 20 -10.082 3.336 7.635 1.00 0.00 C ATOM 320 CD2 TYR A 20 -8.301 3.045 6.075 1.00 0.00 C ATOM 321 CE1 TYR A 20 -9.437 2.503 8.530 1.00 0.00 C ATOM 322 CE2 TYR A 20 -7.651 2.213 6.965 1.00 0.00 C ATOM 323 CZ TYR A 20 -8.222 1.946 8.190 1.00 0.00 C ATOM 324 OH TYR A 20 -7.577 1.117 9.077 1.00 0.00 O ATOM 0 H TYR A 20 -11.512 6.542 4.675 1.00 0.00 H new ATOM 0 HA TYR A 20 -9.309 6.295 6.271 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -11.275 4.652 5.731 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -10.255 4.061 4.435 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -11.032 3.772 7.905 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -7.850 3.252 5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -9.882 2.289 9.491 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -6.700 1.774 6.702 1.00 0.00 H new ATOM 0 HH TYR A 20 -6.734 0.808 8.683 1.00 0.00 H new ATOM 334 N ILE A 21 -8.549 5.923 3.095 1.00 0.00 N ATOM 335 CA ILE A 21 -7.486 5.705 2.152 1.00 0.00 C ATOM 336 C ILE A 21 -6.788 7.010 1.963 1.00 0.00 C ATOM 337 O ILE A 21 -5.586 7.071 1.698 1.00 0.00 O ATOM 338 CB ILE A 21 -8.034 5.240 0.800 1.00 0.00 C ATOM 339 CG1 ILE A 21 -8.817 3.932 0.949 1.00 0.00 C ATOM 340 CG2 ILE A 21 -6.908 5.074 -0.214 1.00 0.00 C ATOM 341 CD1 ILE A 21 -8.006 2.794 1.533 1.00 0.00 C ATOM 0 H ILE A 21 -9.445 6.163 2.671 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.814 4.934 2.529 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.716 6.007 0.433 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -9.685 4.110 1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.194 3.632 -0.029 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.322 4.743 -1.166 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.399 6.028 -0.351 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.197 4.332 0.150 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -8.630 1.903 1.607 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -7.152 2.587 0.888 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -7.651 3.072 2.525 1.00 0.00 H new ATOM 353 N GLU A 22 -7.563 8.063 2.137 1.00 0.00 N ATOM 354 CA GLU A 22 -7.032 9.382 2.010 1.00 0.00 C ATOM 355 C GLU A 22 -6.051 9.626 3.149 1.00 0.00 C ATOM 356 O GLU A 22 -5.007 10.260 2.991 1.00 0.00 O ATOM 357 CB GLU A 22 -8.142 10.435 2.016 1.00 0.00 C ATOM 358 CG GLU A 22 -7.635 11.866 1.926 1.00 0.00 C ATOM 359 CD GLU A 22 -7.117 12.234 0.549 1.00 0.00 C ATOM 360 OE1 GLU A 22 -5.922 11.996 0.265 1.00 0.00 O ATOM 361 OE2 GLU A 22 -7.897 12.796 -0.247 1.00 0.00 O ATOM 0 H GLU A 22 -8.556 8.019 2.365 1.00 0.00 H new ATOM 0 HA GLU A 22 -6.516 9.468 1.054 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -8.814 10.245 1.179 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -8.729 10.325 2.928 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -8.441 12.547 2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.838 12.008 2.656 1.00 0.00 H new ATOM 368 N GLU A 23 -6.405 9.074 4.297 1.00 0.00 N ATOM 369 CA GLU A 23 -5.599 9.173 5.499 1.00 0.00 C ATOM 370 C GLU A 23 -4.456 8.180 5.419 1.00 0.00 C ATOM 371 O GLU A 23 -3.365 8.433 5.916 1.00 0.00 O ATOM 372 CB GLU A 23 -6.460 8.880 6.723 1.00 0.00 C ATOM 373 CG GLU A 23 -7.827 9.530 6.651 1.00 0.00 C ATOM 374 CD GLU A 23 -8.712 9.151 7.819 1.00 0.00 C ATOM 375 OE1 GLU A 23 -8.902 9.989 8.726 1.00 0.00 O ATOM 376 OE2 GLU A 23 -9.224 8.015 7.838 1.00 0.00 O ATOM 0 H GLU A 23 -7.266 8.541 4.421 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.195 10.182 5.586 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.581 7.802 6.826 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.943 9.230 7.617 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.710 10.613 6.625 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.315 9.240 5.721 1.00 0.00 H new ATOM 383 N LYS A 24 -4.734 7.041 4.792 1.00 0.00 N ATOM 384 CA LYS A 24 -3.719 6.038 4.506 1.00 0.00 C ATOM 385 C LYS A 24 -2.575 6.671 3.720 1.00 0.00 C ATOM 386 O LYS A 24 -1.471 6.819 4.223 1.00 0.00 O ATOM 387 CB LYS A 24 -4.350 4.900 3.694 1.00 0.00 C ATOM 388 CG LYS A 24 -3.419 3.742 3.389 1.00 0.00 C ATOM 389 CD LYS A 24 -4.019 2.825 2.332 1.00 0.00 C ATOM 390 CE LYS A 24 -3.197 1.560 2.135 1.00 0.00 C ATOM 391 NZ LYS A 24 -1.757 1.855 1.908 1.00 0.00 N ATOM 0 H LYS A 24 -5.668 6.790 4.469 1.00 0.00 H new ATOM 0 HA LYS A 24 -3.324 5.639 5.440 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.214 4.519 4.239 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.721 5.307 2.753 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.459 4.124 3.042 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -3.226 3.176 4.300 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.034 2.555 2.622 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.090 3.361 1.386 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.301 0.921 3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -3.590 1.002 1.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -1.346 1.125 1.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.661 2.785 1.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -1.256 1.862 2.819 1.00 0.00 H new ATOM 405 N ILE A 25 -2.888 7.072 2.489 1.00 0.00 N ATOM 406 CA ILE A 25 -1.925 7.732 1.626 1.00 0.00 C ATOM 407 C ILE A 25 -1.416 8.981 2.311 1.00 0.00 C ATOM 408 O ILE A 25 -0.257 9.334 2.179 1.00 0.00 O ATOM 409 CB ILE A 25 -2.536 8.107 0.259 1.00 0.00 C ATOM 410 CG1 ILE A 25 -3.053 6.854 -0.447 1.00 0.00 C ATOM 411 CG2 ILE A 25 -1.512 8.825 -0.613 1.00 0.00 C ATOM 412 CD1 ILE A 25 -3.695 7.140 -1.784 1.00 0.00 C ATOM 0 H ILE A 25 -3.809 6.948 2.070 1.00 0.00 H new ATOM 0 HA ILE A 25 -1.106 7.036 1.443 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.372 8.786 0.429 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.225 6.160 -0.591 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.778 6.356 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.965 9.080 -1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -1.184 9.736 -0.113 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -0.654 8.173 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.039 6.207 -2.229 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.543 7.810 -1.644 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.966 7.610 -2.444 1.00 0.00 H new ATOM 424 N GLY A 26 -2.292 9.624 3.066 1.00 0.00 N ATOM 425 CA GLY A 26 -1.898 10.767 3.850 1.00 0.00 C ATOM 426 C GLY A 26 -0.774 10.457 4.822 1.00 0.00 C ATOM 427 O GLY A 26 0.197 11.206 4.901 1.00 0.00 O ATOM 0 H GLY A 26 -3.276 9.369 3.148 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.583 11.569 3.182 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.761 11.135 4.405 1.00 0.00 H new ATOM 431 N LYS A 27 -0.860 9.331 5.535 1.00 0.00 N ATOM 432 CA LYS A 27 0.106 9.052 6.567 1.00 0.00 C ATOM 433 C LYS A 27 1.322 8.428 5.934 1.00 0.00 C ATOM 434 O LYS A 27 2.422 8.472 6.485 1.00 0.00 O ATOM 435 CB LYS A 27 -0.484 8.151 7.651 1.00 0.00 C ATOM 436 CG LYS A 27 -0.735 6.720 7.214 1.00 0.00 C ATOM 437 CD LYS A 27 -1.965 6.166 7.896 1.00 0.00 C ATOM 438 CE LYS A 27 -2.103 4.665 7.694 1.00 0.00 C ATOM 439 NZ LYS A 27 -3.243 4.105 8.467 1.00 0.00 N ATOM 0 H LYS A 27 -1.579 8.618 5.411 1.00 0.00 H new ATOM 0 HA LYS A 27 0.392 9.982 7.057 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.192 8.143 8.506 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.425 8.583 7.992 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.863 6.681 6.132 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.131 6.103 7.455 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -1.917 6.385 8.963 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.851 6.667 7.507 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.244 4.453 6.634 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -1.180 4.171 7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -3.304 3.080 8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.097 4.285 9.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.127 4.558 8.159 1.00 0.00 H new ATOM 453 N LEU A 28 1.114 7.849 4.758 1.00 0.00 N ATOM 454 CA LEU A 28 2.225 7.351 3.972 1.00 0.00 C ATOM 455 C LEU A 28 2.989 8.514 3.354 1.00 0.00 C ATOM 456 O LEU A 28 4.218 8.536 3.341 1.00 0.00 O ATOM 457 CB LEU A 28 1.712 6.407 2.908 1.00 0.00 C ATOM 458 CG LEU A 28 0.790 5.353 3.476 1.00 0.00 C ATOM 459 CD1 LEU A 28 0.134 4.551 2.364 1.00 0.00 C ATOM 460 CD2 LEU A 28 1.543 4.438 4.426 1.00 0.00 C ATOM 0 H LEU A 28 0.195 7.716 4.335 1.00 0.00 H new ATOM 0 HA LEU A 28 2.911 6.802 4.617 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.183 6.977 2.144 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.556 5.923 2.417 1.00 0.00 H new ATOM 0 HG LEU A 28 0.004 5.857 4.038 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.525 3.799 2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.447 5.219 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.903 4.059 1.768 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.861 3.686 4.824 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.354 3.945 3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.955 5.025 5.247 1.00 0.00 H new ATOM 472 N GLU A 29 2.235 9.492 2.866 1.00 0.00 N ATOM 473 CA GLU A 29 2.792 10.718 2.315 1.00 0.00 C ATOM 474 C GLU A 29 3.550 11.479 3.387 1.00 0.00 C ATOM 475 O GLU A 29 4.598 12.054 3.118 1.00 0.00 O ATOM 476 CB GLU A 29 1.669 11.586 1.723 1.00 0.00 C ATOM 477 CG GLU A 29 2.095 12.988 1.300 1.00 0.00 C ATOM 478 CD GLU A 29 1.698 14.054 2.303 1.00 0.00 C ATOM 479 OE1 GLU A 29 2.591 14.609 2.984 1.00 0.00 O ATOM 480 OE2 GLU A 29 0.489 14.353 2.407 1.00 0.00 O ATOM 0 H GLU A 29 1.216 9.455 2.842 1.00 0.00 H new ATOM 0 HA GLU A 29 3.491 10.464 1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.251 11.072 0.857 1.00 0.00 H new ATOM 0 HB3 GLU A 29 0.870 11.672 2.459 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.176 13.008 1.165 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.649 13.222 0.333 1.00 0.00 H new ATOM 487 N ARG A 30 3.030 11.453 4.609 1.00 0.00 N ATOM 488 CA ARG A 30 3.659 12.169 5.710 1.00 0.00 C ATOM 489 C ARG A 30 4.994 11.566 6.131 1.00 0.00 C ATOM 490 O ARG A 30 5.687 12.117 6.989 1.00 0.00 O ATOM 491 CB ARG A 30 2.732 12.271 6.891 1.00 0.00 C ATOM 492 CG ARG A 30 1.584 13.239 6.672 1.00 0.00 C ATOM 493 CD ARG A 30 2.077 14.606 6.227 1.00 0.00 C ATOM 494 NE ARG A 30 3.173 15.094 7.059 1.00 0.00 N ATOM 495 CZ ARG A 30 4.322 15.562 6.575 1.00 0.00 C ATOM 496 NH1 ARG A 30 4.535 15.594 5.262 1.00 0.00 N ATOM 497 NH2 ARG A 30 5.263 15.985 7.409 1.00 0.00 N ATOM 0 H ARG A 30 2.181 10.947 4.860 1.00 0.00 H new ATOM 0 HA ARG A 30 3.869 13.171 5.337 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.328 11.283 7.113 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.302 12.586 7.765 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.906 12.835 5.921 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.013 13.341 7.595 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.407 14.551 5.190 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.252 15.317 6.262 1.00 0.00 H new ATOM 0 HE ARG A 30 3.051 15.075 8.072 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.816 15.259 4.620 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.417 15.954 4.897 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.105 15.951 8.416 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.145 16.344 7.043 1.00 0.00 H new ATOM 511 N TYR A 31 5.363 10.444 5.533 1.00 0.00 N ATOM 512 CA TYR A 31 6.697 9.905 5.726 1.00 0.00 C ATOM 513 C TYR A 31 7.684 10.724 4.915 1.00 0.00 C ATOM 514 O TYR A 31 8.886 10.731 5.184 1.00 0.00 O ATOM 515 CB TYR A 31 6.776 8.439 5.292 1.00 0.00 C ATOM 516 CG TYR A 31 5.910 7.500 6.102 1.00 0.00 C ATOM 517 CD1 TYR A 31 5.326 6.386 5.511 1.00 0.00 C ATOM 518 CD2 TYR A 31 5.675 7.724 7.453 1.00 0.00 C ATOM 519 CE1 TYR A 31 4.533 5.525 6.243 1.00 0.00 C ATOM 520 CE2 TYR A 31 4.884 6.866 8.190 1.00 0.00 C ATOM 521 CZ TYR A 31 4.316 5.769 7.581 1.00 0.00 C ATOM 522 OH TYR A 31 3.523 4.917 8.315 1.00 0.00 O ATOM 0 H TYR A 31 4.764 9.895 4.917 1.00 0.00 H new ATOM 0 HA TYR A 31 6.939 9.957 6.787 1.00 0.00 H new ATOM 0 HB2 TYR A 31 6.487 8.367 4.244 1.00 0.00 H new ATOM 0 HB3 TYR A 31 7.812 8.108 5.360 1.00 0.00 H new ATOM 0 HD1 TYR A 31 5.495 6.191 4.462 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.118 8.583 7.934 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.085 4.664 5.769 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.711 7.054 9.239 1.00 0.00 H new ATOM 0 HH TYR A 31 3.681 3.994 8.027 1.00 0.00 H new ATOM 532 N PHE A 32 7.155 11.419 3.919 1.00 0.00 N ATOM 533 CA PHE A 32 7.944 12.164 2.993 1.00 0.00 C ATOM 534 C PHE A 32 7.508 13.616 2.986 1.00 0.00 C ATOM 535 O PHE A 32 6.497 13.978 3.585 1.00 0.00 O ATOM 536 CB PHE A 32 7.716 11.613 1.598 1.00 0.00 C ATOM 537 CG PHE A 32 7.449 10.126 1.517 1.00 0.00 C ATOM 538 CD1 PHE A 32 8.352 9.206 2.032 1.00 0.00 C ATOM 539 CD2 PHE A 32 6.301 9.651 0.899 1.00 0.00 C ATOM 540 CE1 PHE A 32 8.111 7.849 1.936 1.00 0.00 C ATOM 541 CE2 PHE A 32 6.056 8.295 0.805 1.00 0.00 C ATOM 542 CZ PHE A 32 6.962 7.392 1.324 1.00 0.00 C ATOM 0 H PHE A 32 6.152 11.472 3.743 1.00 0.00 H new ATOM 0 HA PHE A 32 8.992 12.088 3.284 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.872 12.140 1.152 1.00 0.00 H new ATOM 0 HB3 PHE A 32 8.591 11.840 0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.254 9.555 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 32 5.590 10.351 0.486 1.00 0.00 H new ATOM 0 HE1 PHE A 32 8.823 7.145 2.341 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.155 7.941 0.325 1.00 0.00 H new ATOM 0 HZ PHE A 32 6.772 6.331 1.251 1.00 0.00 H new ATOM 552 N ASN A 33 8.295 14.452 2.345 1.00 0.00 N ATOM 553 CA ASN A 33 7.820 15.762 1.945 1.00 0.00 C ATOM 554 C ASN A 33 7.990 15.914 0.440 1.00 0.00 C ATOM 555 O ASN A 33 7.297 16.693 -0.213 1.00 0.00 O ATOM 556 CB ASN A 33 8.566 16.875 2.689 1.00 0.00 C ATOM 557 CG ASN A 33 7.970 18.251 2.442 1.00 0.00 C ATOM 558 OD1 ASN A 33 7.058 18.679 3.148 1.00 0.00 O ATOM 559 ND2 ASN A 33 8.487 18.960 1.453 1.00 0.00 N ATOM 0 H ASN A 33 9.262 14.251 2.090 1.00 0.00 H new ATOM 0 HA ASN A 33 6.765 15.850 2.204 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.551 16.664 3.758 1.00 0.00 H new ATOM 0 HB3 ASN A 33 9.611 16.876 2.379 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.130 19.895 1.255 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.243 18.572 0.888 1.00 0.00 H new ATOM 566 N ASP A 34 8.915 15.135 -0.097 1.00 0.00 N ATOM 567 CA ASP A 34 9.299 15.212 -1.477 1.00 0.00 C ATOM 568 C ASP A 34 8.532 14.228 -2.349 1.00 0.00 C ATOM 569 O ASP A 34 9.028 13.783 -3.381 1.00 0.00 O ATOM 570 CB ASP A 34 10.804 14.967 -1.618 1.00 0.00 C ATOM 571 CG ASP A 34 11.205 13.567 -1.187 1.00 0.00 C ATOM 572 OD1 ASP A 34 11.109 13.259 0.018 1.00 0.00 O ATOM 573 OD2 ASP A 34 11.616 12.769 -2.049 1.00 0.00 O ATOM 0 H ASP A 34 9.421 14.424 0.431 1.00 0.00 H new ATOM 0 HA ASP A 34 9.053 16.216 -1.824 1.00 0.00 H new ATOM 0 HB2 ASP A 34 11.099 15.123 -2.656 1.00 0.00 H new ATOM 0 HB3 ASP A 34 11.346 15.698 -1.018 1.00 0.00 H new ATOM 578 N VAL A 35 7.334 13.880 -1.931 1.00 0.00 N ATOM 579 CA VAL A 35 6.549 12.888 -2.653 1.00 0.00 C ATOM 580 C VAL A 35 5.560 13.539 -3.629 1.00 0.00 C ATOM 581 O VAL A 35 4.565 14.141 -3.227 1.00 0.00 O ATOM 582 CB VAL A 35 5.818 11.922 -1.691 1.00 0.00 C ATOM 583 CG1 VAL A 35 4.865 12.657 -0.762 1.00 0.00 C ATOM 584 CG2 VAL A 35 5.086 10.838 -2.467 1.00 0.00 C ATOM 0 H VAL A 35 6.880 14.263 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 35 7.255 12.301 -3.241 1.00 0.00 H new ATOM 0 HB VAL A 35 6.578 11.450 -1.068 1.00 0.00 H new ATOM 0 HG11 VAL A 35 4.373 11.940 -0.104 1.00 0.00 H new ATOM 0 HG12 VAL A 35 5.423 13.376 -0.163 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.114 13.182 -1.352 1.00 0.00 H new ATOM 0 HG21 VAL A 35 4.579 10.171 -1.770 1.00 0.00 H new ATOM 0 HG22 VAL A 35 4.351 11.297 -3.129 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.802 10.268 -3.060 1.00 0.00 H new ATOM 594 N PRO A 36 5.847 13.453 -4.939 1.00 0.00 N ATOM 595 CA PRO A 36 4.958 13.946 -5.976 1.00 0.00 C ATOM 596 C PRO A 36 4.049 12.855 -6.543 1.00 0.00 C ATOM 597 O PRO A 36 3.163 13.133 -7.349 1.00 0.00 O ATOM 598 CB PRO A 36 5.942 14.429 -7.038 1.00 0.00 C ATOM 599 CG PRO A 36 7.136 13.536 -6.905 1.00 0.00 C ATOM 600 CD PRO A 36 7.090 12.920 -5.522 1.00 0.00 C ATOM 0 HA PRO A 36 4.271 14.710 -5.611 1.00 0.00 H new ATOM 0 HB2 PRO A 36 5.509 14.361 -8.036 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.212 15.473 -6.879 1.00 0.00 H new ATOM 0 HG2 PRO A 36 7.122 12.761 -7.671 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.057 14.103 -7.042 1.00 0.00 H new ATOM 0 HD2 PRO A 36 7.074 11.831 -5.570 1.00 0.00 H new ATOM 0 HD3 PRO A 36 7.961 13.201 -4.930 1.00 0.00 H new ATOM 608 N ASN A 37 4.265 11.615 -6.120 1.00 0.00 N ATOM 609 CA ASN A 37 3.501 10.491 -6.647 1.00 0.00 C ATOM 610 C ASN A 37 3.313 9.405 -5.597 1.00 0.00 C ATOM 611 O ASN A 37 4.283 8.869 -5.056 1.00 0.00 O ATOM 612 CB ASN A 37 4.194 9.900 -7.876 1.00 0.00 C ATOM 613 CG ASN A 37 3.439 8.720 -8.464 1.00 0.00 C ATOM 614 OD1 ASN A 37 2.212 8.648 -8.391 1.00 0.00 O ATOM 615 ND2 ASN A 37 4.169 7.789 -9.056 1.00 0.00 N ATOM 0 H ASN A 37 4.960 11.363 -5.417 1.00 0.00 H new ATOM 0 HA ASN A 37 2.519 10.869 -6.932 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.299 10.674 -8.636 1.00 0.00 H new ATOM 0 HB3 ASN A 37 5.200 9.583 -7.603 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.717 6.975 -9.473 1.00 0.00 H new ATOM 0 HD22 ASN A 37 5.184 7.885 -9.096 1.00 0.00 H new ATOM 622 N ALA A 38 2.057 9.111 -5.307 1.00 0.00 N ATOM 623 CA ALA A 38 1.685 8.003 -4.444 1.00 0.00 C ATOM 624 C ALA A 38 0.228 7.650 -4.716 1.00 0.00 C ATOM 625 O ALA A 38 -0.667 8.445 -4.459 1.00 0.00 O ATOM 626 CB ALA A 38 1.877 8.365 -2.980 1.00 0.00 C ATOM 0 H ALA A 38 1.261 9.638 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 38 2.324 7.146 -4.656 1.00 0.00 H new ATOM 0 HB1 ALA A 38 1.591 7.519 -2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.923 8.612 -2.800 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.254 9.225 -2.733 1.00 0.00 H new ATOM 632 N VAL A 39 0.003 6.470 -5.253 1.00 0.00 N ATOM 633 CA VAL A 39 -1.293 6.060 -5.690 1.00 0.00 C ATOM 634 C VAL A 39 -1.787 4.873 -4.863 1.00 0.00 C ATOM 635 O VAL A 39 -0.989 4.148 -4.280 1.00 0.00 O ATOM 636 CB VAL A 39 -1.193 5.664 -7.176 1.00 0.00 C ATOM 637 CG1 VAL A 39 -2.186 4.586 -7.504 1.00 0.00 C ATOM 638 CG2 VAL A 39 -1.382 6.867 -8.075 1.00 0.00 C ATOM 0 H VAL A 39 0.730 5.769 -5.395 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.004 6.877 -5.562 1.00 0.00 H new ATOM 0 HB VAL A 39 -0.192 5.271 -7.355 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.100 4.320 -8.558 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.985 3.708 -6.891 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.195 4.947 -7.302 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.306 6.558 -9.117 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.365 7.304 -7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.611 7.607 -7.859 1.00 0.00 H new ATOM 648 N ALA A 40 -3.099 4.700 -4.794 1.00 0.00 N ATOM 649 CA ALA A 40 -3.683 3.477 -4.266 1.00 0.00 C ATOM 650 C ALA A 40 -4.719 2.936 -5.242 1.00 0.00 C ATOM 651 O ALA A 40 -5.895 3.283 -5.169 1.00 0.00 O ATOM 652 CB ALA A 40 -4.330 3.738 -2.912 1.00 0.00 C ATOM 0 H ALA A 40 -3.781 5.395 -5.099 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.892 2.738 -4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.762 2.813 -2.531 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.577 4.102 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.115 4.487 -3.022 1.00 0.00 H new ATOM 658 N HIS A 41 -4.267 2.108 -6.166 1.00 0.00 N ATOM 659 CA HIS A 41 -5.148 1.441 -7.112 1.00 0.00 C ATOM 660 C HIS A 41 -5.719 0.202 -6.442 1.00 0.00 C ATOM 661 O HIS A 41 -5.125 -0.869 -6.481 1.00 0.00 O ATOM 662 CB HIS A 41 -4.372 1.061 -8.381 1.00 0.00 C ATOM 663 CG HIS A 41 -5.219 0.547 -9.511 1.00 0.00 C ATOM 664 ND1 HIS A 41 -5.082 0.998 -10.804 1.00 0.00 N ATOM 665 CD2 HIS A 41 -6.184 -0.402 -9.550 1.00 0.00 C ATOM 666 CE1 HIS A 41 -5.924 0.351 -11.587 1.00 0.00 C ATOM 667 NE2 HIS A 41 -6.605 -0.506 -10.852 1.00 0.00 N ATOM 0 H HIS A 41 -3.280 1.878 -6.283 1.00 0.00 H new ATOM 0 HA HIS A 41 -5.959 2.108 -7.404 1.00 0.00 H new ATOM 0 HB2 HIS A 41 -3.821 1.935 -8.728 1.00 0.00 H new ATOM 0 HB3 HIS A 41 -3.634 0.301 -8.124 1.00 0.00 H new ATOM 0 HD2 HIS A 41 -6.554 -0.972 -8.711 1.00 0.00 H new ATOM 0 HE1 HIS A 41 -6.037 0.499 -12.651 1.00 0.00 H new ATOM 0 HE2 HIS A 41 -7.326 -1.141 -11.195 1.00 0.00 H new ATOM 676 N VAL A 42 -6.866 0.360 -5.818 1.00 0.00 N ATOM 677 CA VAL A 42 -7.431 -0.648 -4.976 1.00 0.00 C ATOM 678 C VAL A 42 -8.737 -1.101 -5.562 1.00 0.00 C ATOM 679 O VAL A 42 -9.393 -0.371 -6.284 1.00 0.00 O ATOM 680 CB VAL A 42 -7.629 -0.031 -3.595 1.00 0.00 C ATOM 681 CG1 VAL A 42 -8.795 -0.644 -2.881 1.00 0.00 C ATOM 682 CG2 VAL A 42 -6.367 -0.196 -2.789 1.00 0.00 C ATOM 0 H VAL A 42 -7.432 1.206 -5.888 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.780 -1.518 -4.896 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.847 1.030 -3.717 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.906 -0.180 -1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -9.703 -0.484 -3.463 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -8.626 -1.714 -2.759 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.506 0.244 -1.802 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.138 -1.257 -2.685 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.543 0.305 -3.297 1.00 0.00 H new ATOM 692 N LYS A 43 -9.063 -2.317 -5.281 1.00 0.00 N ATOM 693 CA LYS A 43 -10.253 -2.935 -5.800 1.00 0.00 C ATOM 694 C LYS A 43 -10.807 -3.854 -4.748 1.00 0.00 C ATOM 695 O LYS A 43 -10.068 -4.418 -3.953 1.00 0.00 O ATOM 696 CB LYS A 43 -9.914 -3.686 -7.092 1.00 0.00 C ATOM 697 CG LYS A 43 -11.084 -4.403 -7.747 1.00 0.00 C ATOM 698 CD LYS A 43 -10.623 -5.236 -8.935 1.00 0.00 C ATOM 699 CE LYS A 43 -9.996 -4.380 -10.026 1.00 0.00 C ATOM 700 NZ LYS A 43 -11.009 -3.563 -10.742 1.00 0.00 N ATOM 0 H LYS A 43 -8.509 -2.924 -4.677 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.009 -2.188 -6.042 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.496 -2.977 -7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -9.135 -4.417 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.575 -5.046 -7.017 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -11.823 -3.673 -8.076 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.900 -5.979 -8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -11.472 -5.781 -9.346 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.246 -3.723 -9.586 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -9.479 -5.022 -10.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.546 -3.021 -11.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.730 -4.188 -11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.462 -2.907 -10.074 1.00 0.00 H new ATOM 714 N VAL A 44 -12.102 -3.941 -4.705 1.00 0.00 N ATOM 715 CA VAL A 44 -12.776 -4.788 -3.758 1.00 0.00 C ATOM 716 C VAL A 44 -13.911 -5.482 -4.496 1.00 0.00 C ATOM 717 O VAL A 44 -14.341 -5.028 -5.552 1.00 0.00 O ATOM 718 CB VAL A 44 -13.356 -3.968 -2.587 1.00 0.00 C ATOM 719 CG1 VAL A 44 -14.570 -3.222 -3.063 1.00 0.00 C ATOM 720 CG2 VAL A 44 -13.715 -4.848 -1.408 1.00 0.00 C ATOM 0 H VAL A 44 -12.726 -3.426 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 44 -12.069 -5.506 -3.342 1.00 0.00 H new ATOM 0 HB VAL A 44 -12.594 -3.266 -2.248 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -14.985 -2.640 -2.240 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -14.290 -2.552 -3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -15.317 -3.932 -3.419 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -14.120 -4.233 -0.605 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -14.461 -5.581 -1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -12.823 -5.365 -1.055 1.00 0.00 H new ATOM 730 N LYS A 45 -14.336 -6.586 -3.962 1.00 0.00 N ATOM 731 CA LYS A 45 -15.353 -7.429 -4.552 1.00 0.00 C ATOM 732 C LYS A 45 -16.086 -8.142 -3.432 1.00 0.00 C ATOM 733 O LYS A 45 -15.520 -9.014 -2.770 1.00 0.00 O ATOM 734 CB LYS A 45 -14.711 -8.461 -5.487 1.00 0.00 C ATOM 735 CG LYS A 45 -14.107 -7.874 -6.753 1.00 0.00 C ATOM 736 CD LYS A 45 -13.150 -8.852 -7.412 1.00 0.00 C ATOM 737 CE LYS A 45 -12.540 -8.268 -8.674 1.00 0.00 C ATOM 738 NZ LYS A 45 -11.421 -9.101 -9.191 1.00 0.00 N ATOM 0 H LYS A 45 -13.979 -6.944 -3.076 1.00 0.00 H new ATOM 0 HA LYS A 45 -16.045 -6.821 -5.134 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.932 -8.993 -4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.464 -9.198 -5.766 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -14.902 -7.614 -7.451 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -13.579 -6.951 -6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -12.357 -9.115 -6.712 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.680 -9.773 -7.655 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -13.310 -8.179 -9.441 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.177 -7.261 -8.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -11.146 -8.765 -10.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -10.608 -9.028 -8.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -11.726 -10.093 -9.252 1.00 0.00 H new ATOM 752 N THR A 46 -17.313 -7.734 -3.175 1.00 0.00 N ATOM 753 CA THR A 46 -18.100 -8.342 -2.121 1.00 0.00 C ATOM 754 C THR A 46 -19.580 -8.051 -2.316 1.00 0.00 C ATOM 755 O THR A 46 -19.982 -6.910 -2.561 1.00 0.00 O ATOM 756 CB THR A 46 -17.639 -7.872 -0.717 1.00 0.00 C ATOM 757 OG1 THR A 46 -18.440 -8.482 0.304 1.00 0.00 O ATOM 758 CG2 THR A 46 -17.705 -6.357 -0.577 1.00 0.00 C ATOM 0 H THR A 46 -17.786 -6.985 -3.681 1.00 0.00 H new ATOM 0 HA THR A 46 -17.944 -9.419 -2.180 1.00 0.00 H new ATOM 0 HB THR A 46 -16.600 -8.180 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 46 -17.957 -8.458 1.156 1.00 0.00 H new ATOM 0 HG21 THR A 46 -17.374 -6.069 0.421 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.058 -5.894 -1.322 1.00 0.00 H new ATOM 0 HG23 THR A 46 -18.731 -6.022 -0.730 1.00 0.00 H new ATOM 766 N TYR A 47 -20.377 -9.098 -2.244 1.00 0.00 N ATOM 767 CA TYR A 47 -21.819 -8.977 -2.291 1.00 0.00 C ATOM 768 C TYR A 47 -22.408 -9.658 -1.066 1.00 0.00 C ATOM 769 O TYR A 47 -23.125 -10.659 -1.163 1.00 0.00 O ATOM 770 CB TYR A 47 -22.364 -9.588 -3.590 1.00 0.00 C ATOM 771 CG TYR A 47 -21.646 -10.851 -4.031 1.00 0.00 C ATOM 772 CD1 TYR A 47 -22.099 -12.108 -3.650 1.00 0.00 C ATOM 773 CD2 TYR A 47 -20.511 -10.780 -4.831 1.00 0.00 C ATOM 774 CE1 TYR A 47 -21.441 -13.255 -4.051 1.00 0.00 C ATOM 775 CE2 TYR A 47 -19.849 -11.922 -5.237 1.00 0.00 C ATOM 776 CZ TYR A 47 -20.317 -13.156 -4.844 1.00 0.00 C ATOM 777 OH TYR A 47 -19.657 -14.296 -5.246 1.00 0.00 O ATOM 0 H TYR A 47 -20.042 -10.057 -2.151 1.00 0.00 H new ATOM 0 HA TYR A 47 -22.106 -7.925 -2.282 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -23.422 -9.812 -3.457 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -22.293 -8.846 -4.385 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -22.980 -12.190 -3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -20.140 -9.814 -5.141 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -21.805 -14.225 -3.745 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -18.969 -11.848 -5.859 1.00 0.00 H new ATOM 0 HH TYR A 47 -18.887 -14.050 -5.800 1.00 0.00 H new ATOM 787 N SER A 48 -22.112 -9.074 0.086 1.00 0.00 N ATOM 788 CA SER A 48 -22.478 -9.639 1.372 1.00 0.00 C ATOM 789 C SER A 48 -21.982 -8.723 2.483 1.00 0.00 C ATOM 790 O SER A 48 -21.421 -7.659 2.214 1.00 0.00 O ATOM 791 CB SER A 48 -21.857 -11.029 1.531 1.00 0.00 C ATOM 792 OG SER A 48 -20.443 -10.963 1.490 1.00 0.00 O ATOM 0 H SER A 48 -21.608 -8.190 0.153 1.00 0.00 H new ATOM 0 HA SER A 48 -23.563 -9.730 1.430 1.00 0.00 H new ATOM 0 HB2 SER A 48 -22.176 -11.468 2.476 1.00 0.00 H new ATOM 0 HB3 SER A 48 -22.217 -11.684 0.738 1.00 0.00 H new ATOM 0 HG SER A 48 -20.071 -11.447 2.256 1.00 0.00 H new ATOM 798 N ASN A 49 -22.192 -9.134 3.723 1.00 0.00 N ATOM 799 CA ASN A 49 -21.738 -8.361 4.868 1.00 0.00 C ATOM 800 C ASN A 49 -20.691 -9.130 5.662 1.00 0.00 C ATOM 801 O ASN A 49 -20.312 -8.723 6.758 1.00 0.00 O ATOM 802 CB ASN A 49 -22.917 -8.004 5.780 1.00 0.00 C ATOM 803 CG ASN A 49 -23.864 -7.000 5.150 1.00 0.00 C ATOM 804 OD1 ASN A 49 -24.825 -7.369 4.472 1.00 0.00 O ATOM 805 ND2 ASN A 49 -23.602 -5.723 5.374 1.00 0.00 N ATOM 0 H ASN A 49 -22.675 -10.000 3.963 1.00 0.00 H new ATOM 0 HA ASN A 49 -21.288 -7.442 4.492 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -23.468 -8.912 6.026 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -22.536 -7.599 6.717 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -24.206 -5.002 4.980 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -22.796 -5.460 5.941 1.00 0.00 H new ATOM 812 N SER A 50 -20.223 -10.245 5.112 1.00 0.00 N ATOM 813 CA SER A 50 -19.246 -11.075 5.812 1.00 0.00 C ATOM 814 C SER A 50 -18.063 -11.432 4.935 1.00 0.00 C ATOM 815 O SER A 50 -17.227 -12.259 5.293 1.00 0.00 O ATOM 816 CB SER A 50 -19.908 -12.332 6.376 1.00 0.00 C ATOM 817 OG SER A 50 -20.943 -11.995 7.286 1.00 0.00 O ATOM 0 H SER A 50 -20.500 -10.593 4.194 1.00 0.00 H new ATOM 0 HA SER A 50 -18.859 -10.485 6.643 1.00 0.00 H new ATOM 0 HB2 SER A 50 -20.316 -12.930 5.561 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.161 -12.946 6.880 1.00 0.00 H new ATOM 0 HG SER A 50 -21.353 -12.815 7.633 1.00 0.00 H new ATOM 823 N ALA A 51 -18.001 -10.803 3.794 1.00 0.00 N ATOM 824 CA ALA A 51 -16.937 -11.074 2.836 1.00 0.00 C ATOM 825 C ALA A 51 -16.217 -9.825 2.437 1.00 0.00 C ATOM 826 O ALA A 51 -16.719 -8.712 2.618 1.00 0.00 O ATOM 827 CB ALA A 51 -17.464 -11.682 1.557 1.00 0.00 C ATOM 0 H ALA A 51 -18.671 -10.095 3.494 1.00 0.00 H new ATOM 0 HA ALA A 51 -16.268 -11.767 3.346 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -16.635 -11.867 0.873 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -17.966 -12.623 1.781 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.172 -10.995 1.092 1.00 0.00 H new ATOM 833 N THR A 52 -15.044 -10.035 1.873 1.00 0.00 N ATOM 834 CA THR A 52 -14.379 -9.053 1.099 1.00 0.00 C ATOM 835 C THR A 52 -13.320 -9.705 0.215 1.00 0.00 C ATOM 836 O THR A 52 -12.566 -10.557 0.668 1.00 0.00 O ATOM 837 CB THR A 52 -13.703 -7.938 1.934 1.00 0.00 C ATOM 838 OG1 THR A 52 -14.659 -7.183 2.671 1.00 0.00 O ATOM 839 CG2 THR A 52 -12.920 -7.008 1.039 1.00 0.00 C ATOM 0 H THR A 52 -14.533 -10.914 1.952 1.00 0.00 H new ATOM 0 HA THR A 52 -15.159 -8.580 0.502 1.00 0.00 H new ATOM 0 HB THR A 52 -13.028 -8.426 2.637 1.00 0.00 H new ATOM 0 HG1 THR A 52 -15.563 -7.477 2.432 1.00 0.00 H new ATOM 0 HG21 THR A 52 -12.452 -6.231 1.643 1.00 0.00 H new ATOM 0 HG22 THR A 52 -12.150 -7.572 0.513 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.592 -6.549 0.314 1.00 0.00 H new ATOM 847 N LYS A 53 -13.287 -9.334 -1.049 1.00 0.00 N ATOM 848 CA LYS A 53 -12.171 -9.697 -1.901 1.00 0.00 C ATOM 849 C LYS A 53 -11.534 -8.450 -2.461 1.00 0.00 C ATOM 850 O LYS A 53 -12.141 -7.716 -3.212 1.00 0.00 O ATOM 851 CB LYS A 53 -12.616 -10.647 -3.017 1.00 0.00 C ATOM 852 CG LYS A 53 -11.536 -10.945 -4.047 1.00 0.00 C ATOM 853 CD LYS A 53 -12.121 -11.593 -5.293 1.00 0.00 C ATOM 854 CE LYS A 53 -12.608 -13.010 -5.033 1.00 0.00 C ATOM 855 NZ LYS A 53 -11.481 -13.973 -4.912 1.00 0.00 N ATOM 0 H LYS A 53 -14.014 -8.785 -1.507 1.00 0.00 H new ATOM 0 HA LYS A 53 -11.429 -10.229 -1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.946 -11.585 -2.571 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.478 -10.215 -3.525 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -11.027 -10.021 -4.321 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.786 -11.604 -3.610 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -12.950 -10.988 -5.659 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.367 -11.609 -6.080 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -13.200 -13.028 -4.118 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.266 -13.322 -5.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -11.665 -14.800 -5.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -10.598 -13.514 -5.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.391 -14.280 -3.922 1.00 0.00 H new ATOM 869 N ILE A 54 -10.304 -8.221 -2.082 1.00 0.00 N ATOM 870 CA ILE A 54 -9.653 -6.967 -2.360 1.00 0.00 C ATOM 871 C ILE A 54 -8.432 -7.137 -3.223 1.00 0.00 C ATOM 872 O ILE A 54 -7.869 -8.229 -3.329 1.00 0.00 O ATOM 873 CB ILE A 54 -9.253 -6.270 -1.050 1.00 0.00 C ATOM 874 CG1 ILE A 54 -8.824 -7.270 0.036 1.00 0.00 C ATOM 875 CG2 ILE A 54 -10.422 -5.472 -0.605 1.00 0.00 C ATOM 876 CD1 ILE A 54 -7.407 -7.779 -0.120 1.00 0.00 C ATOM 0 H ILE A 54 -9.728 -8.893 -1.575 1.00 0.00 H new ATOM 0 HA ILE A 54 -10.370 -6.354 -2.906 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.386 -5.632 -1.223 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.923 -6.795 1.012 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.507 -8.119 0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -10.179 -4.959 0.326 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -10.673 -4.737 -1.370 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -11.274 -6.133 -0.444 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -7.181 -8.479 0.684 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -7.306 -8.285 -1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -6.712 -6.940 -0.077 1.00 0.00 H new ATOM 888 N GLU A 55 -8.037 -6.038 -3.834 1.00 0.00 N ATOM 889 CA GLU A 55 -6.880 -5.991 -4.648 1.00 0.00 C ATOM 890 C GLU A 55 -6.304 -4.598 -4.553 1.00 0.00 C ATOM 891 O GLU A 55 -6.849 -3.654 -5.094 1.00 0.00 O ATOM 892 CB GLU A 55 -7.243 -6.269 -6.085 1.00 0.00 C ATOM 893 CG GLU A 55 -7.422 -7.737 -6.444 1.00 0.00 C ATOM 894 CD GLU A 55 -7.981 -7.933 -7.842 1.00 0.00 C ATOM 895 OE1 GLU A 55 -7.304 -7.552 -8.822 1.00 0.00 O ATOM 896 OE2 GLU A 55 -9.100 -8.479 -7.971 1.00 0.00 O ATOM 0 H GLU A 55 -8.531 -5.148 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.161 -6.739 -4.314 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -8.168 -5.741 -6.316 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -6.467 -5.848 -6.725 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.461 -8.246 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.090 -8.205 -5.721 1.00 0.00 H new ATOM 903 N VAL A 56 -5.207 -4.476 -3.885 1.00 0.00 N ATOM 904 CA VAL A 56 -4.568 -3.185 -3.715 1.00 0.00 C ATOM 905 C VAL A 56 -3.411 -3.135 -4.642 1.00 0.00 C ATOM 906 O VAL A 56 -2.798 -4.150 -4.939 1.00 0.00 O ATOM 907 CB VAL A 56 -4.025 -2.950 -2.272 1.00 0.00 C ATOM 908 CG1 VAL A 56 -4.156 -4.212 -1.513 1.00 0.00 C ATOM 909 CG2 VAL A 56 -2.549 -2.470 -2.282 1.00 0.00 C ATOM 0 H VAL A 56 -4.719 -5.253 -3.439 1.00 0.00 H new ATOM 0 HA VAL A 56 -5.316 -2.417 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.609 -2.161 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.781 -4.068 -0.500 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -5.205 -4.505 -1.473 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -3.579 -4.994 -2.006 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -2.209 -2.318 -1.258 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.925 -3.223 -2.764 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.475 -1.532 -2.832 1.00 0.00 H new ATOM 919 N THR A 57 -3.157 -1.975 -5.118 1.00 0.00 N ATOM 920 CA THR A 57 -1.914 -1.700 -5.783 1.00 0.00 C ATOM 921 C THR A 57 -1.577 -0.233 -5.612 1.00 0.00 C ATOM 922 O THR A 57 -2.132 0.633 -6.268 1.00 0.00 O ATOM 923 CB THR A 57 -1.952 -2.046 -7.282 1.00 0.00 C ATOM 924 OG1 THR A 57 -2.562 -3.329 -7.483 1.00 0.00 O ATOM 925 CG2 THR A 57 -0.550 -2.052 -7.875 1.00 0.00 C ATOM 0 H THR A 57 -3.795 -1.181 -5.065 1.00 0.00 H new ATOM 0 HA THR A 57 -1.151 -2.331 -5.328 1.00 0.00 H new ATOM 0 HB THR A 57 -2.543 -1.282 -7.787 1.00 0.00 H new ATOM 0 HG1 THR A 57 -2.452 -3.873 -6.676 1.00 0.00 H new ATOM 0 HG21 THR A 57 -0.604 -2.299 -8.935 1.00 0.00 H new ATOM 0 HG22 THR A 57 -0.100 -1.067 -7.755 1.00 0.00 H new ATOM 0 HG23 THR A 57 0.060 -2.795 -7.360 1.00 0.00 H new ATOM 933 N ILE A 58 -0.668 0.013 -4.719 1.00 0.00 N ATOM 934 CA ILE A 58 -0.287 1.353 -4.314 1.00 0.00 C ATOM 935 C ILE A 58 1.108 1.680 -4.906 1.00 0.00 C ATOM 936 O ILE A 58 2.141 1.268 -4.368 1.00 0.00 O ATOM 937 CB ILE A 58 -0.247 1.400 -2.755 1.00 0.00 C ATOM 938 CG1 ILE A 58 -1.601 1.777 -2.149 1.00 0.00 C ATOM 939 CG2 ILE A 58 0.811 2.360 -2.215 1.00 0.00 C ATOM 940 CD1 ILE A 58 -2.695 0.763 -2.361 1.00 0.00 C ATOM 0 H ILE A 58 -0.152 -0.721 -4.234 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.003 2.090 -4.679 1.00 0.00 H new ATOM 0 HB ILE A 58 0.014 0.385 -2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.473 1.933 -1.078 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.920 2.729 -2.574 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.790 2.349 -1.125 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.796 2.049 -2.562 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.603 3.369 -2.571 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -3.615 1.118 -1.897 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.859 0.622 -3.429 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.404 -0.186 -1.910 1.00 0.00 H new ATOM 952 N PRO A 59 1.154 2.301 -6.090 1.00 0.00 N ATOM 953 CA PRO A 59 2.386 2.857 -6.651 1.00 0.00 C ATOM 954 C PRO A 59 2.827 4.141 -5.953 1.00 0.00 C ATOM 955 O PRO A 59 2.290 5.221 -6.201 1.00 0.00 O ATOM 956 CB PRO A 59 2.021 3.156 -8.116 1.00 0.00 C ATOM 957 CG PRO A 59 0.750 2.420 -8.350 1.00 0.00 C ATOM 958 CD PRO A 59 0.052 2.431 -7.028 1.00 0.00 C ATOM 0 HA PRO A 59 3.220 2.165 -6.534 1.00 0.00 H new ATOM 0 HB2 PRO A 59 1.894 4.226 -8.281 1.00 0.00 H new ATOM 0 HB3 PRO A 59 2.804 2.819 -8.795 1.00 0.00 H new ATOM 0 HG2 PRO A 59 0.148 2.905 -9.119 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.940 1.401 -8.689 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.507 3.354 -6.872 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -0.658 1.609 -6.937 1.00 0.00 H new ATOM 966 N LEU A 60 3.792 4.001 -5.069 1.00 0.00 N ATOM 967 CA LEU A 60 4.510 5.129 -4.495 1.00 0.00 C ATOM 968 C LEU A 60 5.598 5.526 -5.491 1.00 0.00 C ATOM 969 O LEU A 60 5.678 4.930 -6.566 1.00 0.00 O ATOM 970 CB LEU A 60 5.142 4.713 -3.156 1.00 0.00 C ATOM 971 CG LEU A 60 4.157 4.327 -2.047 1.00 0.00 C ATOM 972 CD1 LEU A 60 4.902 4.000 -0.766 1.00 0.00 C ATOM 973 CD2 LEU A 60 3.153 5.438 -1.799 1.00 0.00 C ATOM 0 H LEU A 60 4.106 3.094 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 60 3.839 5.967 -4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.807 3.868 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.761 5.535 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 60 3.613 3.441 -2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.188 3.728 0.011 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.581 3.166 -0.943 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.473 4.871 -0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.466 5.138 -1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 60 3.680 6.344 -1.498 1.00 0.00 H new ATOM 0 HD23 LEU A 60 2.591 5.631 -2.713 1.00 0.00 H new ATOM 985 N LYS A 61 6.423 6.520 -5.175 1.00 0.00 N ATOM 986 CA LYS A 61 7.531 6.860 -6.049 1.00 0.00 C ATOM 987 C LYS A 61 8.407 5.650 -6.217 1.00 0.00 C ATOM 988 O LYS A 61 8.626 5.134 -7.314 1.00 0.00 O ATOM 989 CB LYS A 61 8.436 7.879 -5.405 1.00 0.00 C ATOM 990 CG LYS A 61 7.746 9.050 -4.730 1.00 0.00 C ATOM 991 CD LYS A 61 8.770 10.058 -4.222 1.00 0.00 C ATOM 992 CE LYS A 61 9.684 9.461 -3.160 1.00 0.00 C ATOM 993 NZ LYS A 61 10.815 10.364 -2.822 1.00 0.00 N ATOM 0 H LYS A 61 6.345 7.093 -4.335 1.00 0.00 H new ATOM 0 HA LYS A 61 7.104 7.229 -6.982 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.053 7.371 -4.664 1.00 0.00 H new ATOM 0 HB3 LYS A 61 9.110 8.270 -6.167 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.069 9.535 -5.434 1.00 0.00 H new ATOM 0 HG3 LYS A 61 7.138 8.691 -3.899 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.371 10.416 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 61 8.252 10.923 -3.809 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.105 9.253 -2.260 1.00 0.00 H new ATOM 0 HE3 LYS A 61 10.076 8.507 -3.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 11.280 10.028 -1.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.501 10.368 -3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.456 11.328 -2.671 1.00 0.00 H new ATOM 1007 N ASN A 62 8.902 5.219 -5.071 1.00 0.00 N ATOM 1008 CA ASN A 62 9.987 4.287 -5.015 1.00 0.00 C ATOM 1009 C ASN A 62 9.519 2.855 -5.211 1.00 0.00 C ATOM 1010 O ASN A 62 10.222 2.030 -5.792 1.00 0.00 O ATOM 1011 CB ASN A 62 10.717 4.411 -3.692 1.00 0.00 C ATOM 1012 CG ASN A 62 11.841 5.432 -3.718 1.00 0.00 C ATOM 1013 OD1 ASN A 62 12.812 5.313 -2.975 1.00 0.00 O ATOM 1014 ND2 ASN A 62 11.720 6.439 -4.570 1.00 0.00 N ATOM 0 H ASN A 62 8.555 5.512 -4.158 1.00 0.00 H new ATOM 0 HA ASN A 62 10.665 4.530 -5.833 1.00 0.00 H new ATOM 0 HB2 ASN A 62 10.003 4.687 -2.916 1.00 0.00 H new ATOM 0 HB3 ASN A 62 11.126 3.438 -3.418 1.00 0.00 H new ATOM 0 HD21 ASN A 62 12.449 7.151 -4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 62 10.898 6.503 -5.171 1.00 0.00 H new ATOM 1021 N VAL A 63 8.320 2.574 -4.723 1.00 0.00 N ATOM 1022 CA VAL A 63 7.818 1.218 -4.648 1.00 0.00 C ATOM 1023 C VAL A 63 6.345 1.143 -5.038 1.00 0.00 C ATOM 1024 O VAL A 63 5.599 2.100 -4.882 1.00 0.00 O ATOM 1025 CB VAL A 63 8.004 0.689 -3.218 1.00 0.00 C ATOM 1026 CG1 VAL A 63 7.175 1.502 -2.231 1.00 0.00 C ATOM 1027 CG2 VAL A 63 7.678 -0.796 -3.119 1.00 0.00 C ATOM 0 H VAL A 63 7.673 3.279 -4.370 1.00 0.00 H new ATOM 0 HA VAL A 63 8.380 0.605 -5.352 1.00 0.00 H new ATOM 0 HB VAL A 63 9.056 0.805 -2.957 1.00 0.00 H new ATOM 0 HG11 VAL A 63 7.321 1.111 -1.224 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.490 2.545 -2.264 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.120 1.432 -2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 63 7.822 -1.132 -2.092 1.00 0.00 H new ATOM 0 HG22 VAL A 63 6.642 -0.961 -3.413 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.337 -1.358 -3.781 1.00 0.00 H new ATOM 1037 N THR A 64 5.949 -0.004 -5.546 1.00 0.00 N ATOM 1038 CA THR A 64 4.568 -0.254 -5.924 1.00 0.00 C ATOM 1039 C THR A 64 4.077 -1.544 -5.268 1.00 0.00 C ATOM 1040 O THR A 64 4.500 -2.634 -5.652 1.00 0.00 O ATOM 1041 CB THR A 64 4.438 -0.386 -7.455 1.00 0.00 C ATOM 1042 OG1 THR A 64 4.950 0.792 -8.090 1.00 0.00 O ATOM 1043 CG2 THR A 64 2.988 -0.598 -7.865 1.00 0.00 C ATOM 0 H THR A 64 6.574 -0.793 -5.710 1.00 0.00 H new ATOM 0 HA THR A 64 3.963 0.588 -5.587 1.00 0.00 H new ATOM 0 HB THR A 64 5.016 -1.254 -7.772 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.867 0.702 -9.062 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.926 -0.688 -8.950 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.609 -1.510 -7.403 1.00 0.00 H new ATOM 0 HG23 THR A 64 2.389 0.251 -7.536 1.00 0.00 H new ATOM 1051 N LEU A 65 3.209 -1.432 -4.267 1.00 0.00 N ATOM 1052 CA LEU A 65 2.696 -2.626 -3.606 1.00 0.00 C ATOM 1053 C LEU A 65 1.404 -3.084 -4.206 1.00 0.00 C ATOM 1054 O LEU A 65 0.634 -2.293 -4.728 1.00 0.00 O ATOM 1055 CB LEU A 65 2.455 -2.447 -2.111 1.00 0.00 C ATOM 1056 CG LEU A 65 3.730 -2.467 -1.253 1.00 0.00 C ATOM 1057 CD1 LEU A 65 4.383 -1.091 -1.130 1.00 0.00 C ATOM 1058 CD2 LEU A 65 3.433 -3.055 0.111 1.00 0.00 C ATOM 0 H LEU A 65 2.853 -0.548 -3.903 1.00 0.00 H new ATOM 0 HA LEU A 65 3.482 -3.366 -3.754 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.939 -1.501 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.788 -3.237 -1.766 1.00 0.00 H new ATOM 0 HG LEU A 65 4.453 -3.102 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 65 5.278 -1.167 -0.513 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.655 -0.727 -2.121 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.682 -0.396 -0.668 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.344 -3.064 0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.676 -2.450 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.065 -4.074 -0.005 1.00 0.00 H new ATOM 1070 N ARG A 66 1.179 -4.368 -4.115 1.00 0.00 N ATOM 1071 CA ARG A 66 -0.088 -4.939 -4.447 1.00 0.00 C ATOM 1072 C ARG A 66 -0.476 -5.991 -3.435 1.00 0.00 C ATOM 1073 O ARG A 66 0.370 -6.722 -2.923 1.00 0.00 O ATOM 1074 CB ARG A 66 -0.010 -5.545 -5.818 1.00 0.00 C ATOM 1075 CG ARG A 66 -1.271 -6.252 -6.280 1.00 0.00 C ATOM 1076 CD ARG A 66 -1.344 -6.300 -7.793 1.00 0.00 C ATOM 1077 NE ARG A 66 -0.268 -7.096 -8.379 1.00 0.00 N ATOM 1078 CZ ARG A 66 0.092 -7.031 -9.660 1.00 0.00 C ATOM 1079 NH1 ARG A 66 -0.496 -6.164 -10.476 1.00 0.00 N ATOM 1080 NH2 ARG A 66 1.049 -7.822 -10.124 1.00 0.00 N ATOM 0 H ARG A 66 1.876 -5.046 -3.807 1.00 0.00 H new ATOM 0 HA ARG A 66 -0.848 -4.158 -4.435 1.00 0.00 H new ATOM 0 HB2 ARG A 66 0.230 -4.758 -6.533 1.00 0.00 H new ATOM 0 HB3 ARG A 66 0.815 -6.257 -5.838 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -1.292 -7.265 -5.879 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.147 -5.736 -5.886 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -2.305 -6.716 -8.094 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -1.298 -5.285 -8.188 1.00 0.00 H new ATOM 0 HE ARG A 66 0.238 -7.740 -7.771 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.226 -5.545 -10.123 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -0.218 -6.117 -11.456 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.512 -8.483 -9.500 1.00 0.00 H new ATOM 0 HH22 ARG A 66 1.323 -7.770 -11.105 1.00 0.00 H new ATOM 1094 N ALA A 67 -1.748 -6.045 -3.147 1.00 0.00 N ATOM 1095 CA ALA A 67 -2.284 -7.128 -2.302 1.00 0.00 C ATOM 1096 C ALA A 67 -3.652 -7.575 -2.780 1.00 0.00 C ATOM 1097 O ALA A 67 -4.627 -6.839 -2.704 1.00 0.00 O ATOM 1098 CB ALA A 67 -2.326 -6.764 -0.815 1.00 0.00 C ATOM 0 H ALA A 67 -2.442 -5.371 -3.470 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.588 -7.961 -2.404 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.730 -7.602 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -1.318 -6.542 -0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.960 -5.889 -0.672 1.00 0.00 H new ATOM 1104 N GLU A 68 -3.711 -8.788 -3.276 1.00 0.00 N ATOM 1105 CA GLU A 68 -4.949 -9.354 -3.781 1.00 0.00 C ATOM 1106 C GLU A 68 -5.343 -10.561 -2.933 1.00 0.00 C ATOM 1107 O GLU A 68 -4.577 -11.521 -2.822 1.00 0.00 O ATOM 1108 CB GLU A 68 -4.770 -9.750 -5.249 1.00 0.00 C ATOM 1109 CG GLU A 68 -3.506 -10.554 -5.509 1.00 0.00 C ATOM 1110 CD GLU A 68 -3.349 -10.938 -6.962 1.00 0.00 C ATOM 1111 OE1 GLU A 68 -2.461 -10.377 -7.639 1.00 0.00 O ATOM 1112 OE2 GLU A 68 -4.120 -11.795 -7.440 1.00 0.00 O ATOM 0 H GLU A 68 -2.907 -9.413 -3.343 1.00 0.00 H new ATOM 0 HA GLU A 68 -5.747 -8.614 -3.719 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.634 -10.333 -5.568 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.750 -8.848 -5.861 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -2.639 -9.972 -5.195 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.522 -11.457 -4.898 1.00 0.00 H new ATOM 1119 N GLU A 69 -6.520 -10.516 -2.319 1.00 0.00 N ATOM 1120 CA GLU A 69 -6.916 -11.576 -1.395 1.00 0.00 C ATOM 1121 C GLU A 69 -8.401 -11.501 -1.048 1.00 0.00 C ATOM 1122 O GLU A 69 -9.021 -10.442 -1.130 1.00 0.00 O ATOM 1123 CB GLU A 69 -6.072 -11.480 -0.112 1.00 0.00 C ATOM 1124 CG GLU A 69 -6.349 -12.577 0.906 1.00 0.00 C ATOM 1125 CD GLU A 69 -6.118 -13.966 0.348 1.00 0.00 C ATOM 1126 OE1 GLU A 69 -7.082 -14.572 -0.166 1.00 0.00 O ATOM 1127 OE2 GLU A 69 -4.975 -14.458 0.418 1.00 0.00 O ATOM 0 H GLU A 69 -7.207 -9.772 -2.440 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.741 -12.534 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.017 -11.510 -0.383 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.253 -10.512 0.356 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.710 -12.429 1.776 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.380 -12.495 1.250 1.00 0.00 H new ATOM 1134 N ARG A 70 -8.964 -12.641 -0.668 1.00 0.00 N ATOM 1135 CA ARG A 70 -10.318 -12.697 -0.150 1.00 0.00 C ATOM 1136 C ARG A 70 -10.268 -12.813 1.368 1.00 0.00 C ATOM 1137 O ARG A 70 -9.937 -13.870 1.912 1.00 0.00 O ATOM 1138 CB ARG A 70 -11.085 -13.881 -0.739 1.00 0.00 C ATOM 1139 CG ARG A 70 -12.516 -13.977 -0.235 1.00 0.00 C ATOM 1140 CD ARG A 70 -13.190 -15.262 -0.688 1.00 0.00 C ATOM 1141 NE ARG A 70 -12.480 -16.452 -0.215 1.00 0.00 N ATOM 1142 CZ ARG A 70 -12.738 -17.069 0.942 1.00 0.00 C ATOM 1143 NH1 ARG A 70 -13.678 -16.606 1.756 1.00 0.00 N ATOM 1144 NH2 ARG A 70 -12.050 -18.152 1.281 1.00 0.00 N ATOM 0 H ARG A 70 -8.495 -13.546 -0.711 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.840 -11.784 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -11.094 -13.795 -1.826 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.558 -14.804 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.522 -13.928 0.854 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -13.086 -13.121 -0.596 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -14.216 -15.282 -0.320 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -13.241 -15.280 -1.777 1.00 0.00 H new ATOM 0 HE ARG A 70 -11.742 -16.834 -0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -14.209 -15.774 1.500 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -13.869 -17.082 2.637 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -11.326 -18.512 0.659 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.245 -18.625 2.164 1.00 0.00 H new ATOM 1158 N ASN A 71 -10.589 -11.726 2.040 1.00 0.00 N ATOM 1159 CA ASN A 71 -10.524 -11.667 3.489 1.00 0.00 C ATOM 1160 C ASN A 71 -11.756 -10.949 4.025 1.00 0.00 C ATOM 1161 O ASN A 71 -12.197 -9.972 3.430 1.00 0.00 O ATOM 1162 CB ASN A 71 -9.244 -10.946 3.924 1.00 0.00 C ATOM 1163 CG ASN A 71 -9.030 -10.921 5.377 1.00 0.00 C ATOM 1164 OD1 ASN A 71 -9.583 -11.708 6.144 1.00 0.00 O ATOM 1165 ND2 ASN A 71 -8.168 -10.032 5.752 1.00 0.00 N ATOM 0 H ASN A 71 -10.902 -10.860 1.600 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.504 -12.678 3.896 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.389 -11.430 3.451 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.275 -9.921 3.555 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.911 -9.954 6.736 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.746 -9.409 5.064 1.00 0.00 H new ATOM 1172 N ASP A 72 -12.304 -11.456 5.129 1.00 0.00 N ATOM 1173 CA ASP A 72 -13.562 -10.957 5.710 1.00 0.00 C ATOM 1174 C ASP A 72 -13.639 -9.434 5.692 1.00 0.00 C ATOM 1175 O ASP A 72 -14.605 -8.849 5.193 1.00 0.00 O ATOM 1176 CB ASP A 72 -13.696 -11.438 7.157 1.00 0.00 C ATOM 1177 CG ASP A 72 -13.666 -12.946 7.291 1.00 0.00 C ATOM 1178 OD1 ASP A 72 -14.709 -13.542 7.627 1.00 0.00 O ATOM 1179 OD2 ASP A 72 -12.591 -13.544 7.074 1.00 0.00 O ATOM 0 H ASP A 72 -11.890 -12.228 5.652 1.00 0.00 H new ATOM 0 HA ASP A 72 -14.375 -11.349 5.098 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.888 -11.011 7.751 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -14.631 -11.062 7.573 1.00 0.00 H new ATOM 1184 N ASP A 73 -12.615 -8.805 6.241 1.00 0.00 N ATOM 1185 CA ASP A 73 -12.539 -7.359 6.312 1.00 0.00 C ATOM 1186 C ASP A 73 -11.595 -6.811 5.295 1.00 0.00 C ATOM 1187 O ASP A 73 -10.399 -7.090 5.268 1.00 0.00 O ATOM 1188 CB ASP A 73 -12.133 -6.907 7.715 1.00 0.00 C ATOM 1189 CG ASP A 73 -13.289 -6.929 8.694 1.00 0.00 C ATOM 1190 OD1 ASP A 73 -13.398 -7.897 9.480 1.00 0.00 O ATOM 1191 OD2 ASP A 73 -14.094 -5.972 8.693 1.00 0.00 O ATOM 0 H ASP A 73 -11.813 -9.284 6.650 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.532 -6.966 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.337 -7.554 8.084 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -11.725 -5.897 7.663 1.00 0.00 H new ATOM 1196 N LEU A 74 -12.219 -6.074 4.422 1.00 0.00 N ATOM 1197 CA LEU A 74 -11.593 -5.107 3.568 1.00 0.00 C ATOM 1198 C LEU A 74 -10.440 -4.419 4.255 1.00 0.00 C ATOM 1199 O LEU A 74 -9.330 -4.326 3.731 1.00 0.00 O ATOM 1200 CB LEU A 74 -12.669 -4.076 3.317 1.00 0.00 C ATOM 1201 CG LEU A 74 -12.229 -2.709 2.778 1.00 0.00 C ATOM 1202 CD1 LEU A 74 -11.257 -2.854 1.628 1.00 0.00 C ATOM 1203 CD2 LEU A 74 -13.441 -1.897 2.350 1.00 0.00 C ATOM 0 H LEU A 74 -13.227 -6.134 4.280 1.00 0.00 H new ATOM 0 HA LEU A 74 -11.202 -5.579 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -13.384 -4.501 2.612 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -13.203 -3.912 4.253 1.00 0.00 H new ATOM 0 HG LEU A 74 -11.715 -2.182 3.582 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -10.966 -1.866 1.271 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -10.372 -3.393 1.966 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -11.732 -3.408 0.818 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -13.115 -0.929 1.969 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -13.979 -2.432 1.567 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -14.099 -1.747 3.206 1.00 0.00 H new ATOM 1215 N TYR A 75 -10.758 -3.925 5.444 1.00 0.00 N ATOM 1216 CA TYR A 75 -9.863 -3.074 6.151 1.00 0.00 C ATOM 1217 C TYR A 75 -8.625 -3.862 6.512 1.00 0.00 C ATOM 1218 O TYR A 75 -7.527 -3.334 6.616 1.00 0.00 O ATOM 1219 CB TYR A 75 -10.497 -2.507 7.414 1.00 0.00 C ATOM 1220 CG TYR A 75 -11.413 -1.444 7.163 1.00 0.00 C ATOM 1221 CD1 TYR A 75 -12.538 -1.373 7.899 1.00 0.00 C ATOM 1222 CD2 TYR A 75 -11.148 -0.509 6.222 1.00 0.00 C ATOM 1223 CE1 TYR A 75 -13.408 -0.384 7.713 1.00 0.00 C ATOM 1224 CE2 TYR A 75 -12.002 0.494 6.009 1.00 0.00 C ATOM 1225 CZ TYR A 75 -13.158 0.578 6.758 1.00 0.00 C ATOM 1226 OH TYR A 75 -14.047 1.610 6.565 1.00 0.00 O ATOM 0 H TYR A 75 -11.638 -4.111 5.925 1.00 0.00 H new ATOM 0 HA TYR A 75 -9.608 -2.232 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -11.017 -3.307 7.941 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -9.709 -2.148 8.077 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -12.736 -2.126 8.647 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -10.241 -0.575 5.640 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -14.308 -0.335 8.309 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -11.789 1.236 5.254 1.00 0.00 H new ATOM 0 HH TYR A 75 -13.563 2.405 6.258 1.00 0.00 H new ATOM 1236 N ALA A 76 -8.848 -5.159 6.654 1.00 0.00 N ATOM 1237 CA ALA A 76 -7.832 -6.099 7.043 1.00 0.00 C ATOM 1238 C ALA A 76 -7.017 -6.472 5.838 1.00 0.00 C ATOM 1239 O ALA A 76 -5.843 -6.788 5.941 1.00 0.00 O ATOM 1240 CB ALA A 76 -8.483 -7.337 7.602 1.00 0.00 C ATOM 0 H ALA A 76 -9.761 -5.587 6.497 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.189 -5.650 7.800 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.714 -8.051 7.897 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.084 -7.071 8.471 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -9.123 -7.786 6.842 1.00 0.00 H new ATOM 1246 N GLY A 77 -7.678 -6.458 4.693 1.00 0.00 N ATOM 1247 CA GLY A 77 -7.012 -6.705 3.446 1.00 0.00 C ATOM 1248 C GLY A 77 -6.072 -5.570 3.097 1.00 0.00 C ATOM 1249 O GLY A 77 -4.896 -5.780 2.793 1.00 0.00 O ATOM 0 H GLY A 77 -8.678 -6.277 4.611 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -6.453 -7.639 3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -7.750 -6.827 2.653 1.00 0.00 H new ATOM 1253 N ILE A 78 -6.614 -4.358 3.145 1.00 0.00 N ATOM 1254 CA ILE A 78 -5.832 -3.178 2.940 1.00 0.00 C ATOM 1255 C ILE A 78 -4.834 -2.979 4.106 1.00 0.00 C ATOM 1256 O ILE A 78 -3.832 -2.308 3.952 1.00 0.00 O ATOM 1257 CB ILE A 78 -6.736 -1.930 2.772 1.00 0.00 C ATOM 1258 CG1 ILE A 78 -7.590 -2.073 1.508 1.00 0.00 C ATOM 1259 CG2 ILE A 78 -5.913 -0.650 2.712 1.00 0.00 C ATOM 1260 CD1 ILE A 78 -8.459 -0.869 1.217 1.00 0.00 C ATOM 0 H ILE A 78 -7.602 -4.183 3.327 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.265 -3.305 2.018 1.00 0.00 H new ATOM 0 HB ILE A 78 -7.388 -1.863 3.643 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -6.934 -2.250 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -8.226 -2.952 1.608 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.578 0.205 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.342 -0.541 3.634 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.229 -0.697 1.865 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.033 -1.046 0.308 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -9.142 -0.703 2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -7.829 0.010 1.083 1.00 0.00 H new ATOM 1272 N ASP A 79 -5.124 -3.547 5.282 1.00 0.00 N ATOM 1273 CA ASP A 79 -4.142 -3.610 6.393 1.00 0.00 C ATOM 1274 C ASP A 79 -3.088 -4.633 6.099 1.00 0.00 C ATOM 1275 O ASP A 79 -1.925 -4.374 6.332 1.00 0.00 O ATOM 1276 CB ASP A 79 -4.821 -3.937 7.724 1.00 0.00 C ATOM 1277 CG ASP A 79 -3.832 -4.080 8.865 1.00 0.00 C ATOM 1278 OD1 ASP A 79 -3.536 -3.066 9.538 1.00 0.00 O ATOM 1279 OD2 ASP A 79 -3.350 -5.210 9.102 1.00 0.00 O ATOM 0 H ASP A 79 -6.026 -3.971 5.498 1.00 0.00 H new ATOM 0 HA ASP A 79 -3.679 -2.627 6.479 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -5.537 -3.151 7.965 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -5.387 -4.863 7.621 1.00 0.00 H new ATOM 1284 N LEU A 80 -3.470 -5.784 5.582 1.00 0.00 N ATOM 1285 CA LEU A 80 -2.475 -6.730 5.130 1.00 0.00 C ATOM 1286 C LEU A 80 -1.523 -6.007 4.208 1.00 0.00 C ATOM 1287 O LEU A 80 -0.315 -6.035 4.415 1.00 0.00 O ATOM 1288 CB LEU A 80 -3.104 -7.935 4.420 1.00 0.00 C ATOM 1289 CG LEU A 80 -3.885 -8.894 5.322 1.00 0.00 C ATOM 1290 CD1 LEU A 80 -4.465 -10.039 4.507 1.00 0.00 C ATOM 1291 CD2 LEU A 80 -2.994 -9.430 6.434 1.00 0.00 C ATOM 0 H LEU A 80 -4.439 -6.081 5.467 1.00 0.00 H new ATOM 0 HA LEU A 80 -1.943 -7.125 5.995 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.774 -7.568 3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.313 -8.495 3.921 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.708 -8.342 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.017 -10.711 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.138 -9.641 3.748 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.657 -10.588 4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.568 -10.110 7.064 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.150 -9.964 5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.626 -8.600 7.037 1.00 0.00 H new ATOM 1303 N ILE A 81 -2.073 -5.307 3.219 1.00 0.00 N ATOM 1304 CA ILE A 81 -1.231 -4.520 2.350 1.00 0.00 C ATOM 1305 C ILE A 81 -0.560 -3.342 3.062 1.00 0.00 C ATOM 1306 O ILE A 81 0.610 -3.130 2.858 1.00 0.00 O ATOM 1307 CB ILE A 81 -1.967 -4.024 1.093 1.00 0.00 C ATOM 1308 CG1 ILE A 81 -0.951 -3.892 -0.044 1.00 0.00 C ATOM 1309 CG2 ILE A 81 -2.681 -2.694 1.323 1.00 0.00 C ATOM 1310 CD1 ILE A 81 -0.133 -2.618 0.000 1.00 0.00 C ATOM 0 H ILE A 81 -3.071 -5.273 3.010 1.00 0.00 H new ATOM 0 HA ILE A 81 -0.446 -5.208 2.035 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.738 -4.750 0.836 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.275 -4.746 -0.013 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -1.480 -3.939 -0.996 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -3.185 -2.388 0.406 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -3.416 -2.809 2.120 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.953 -1.935 1.608 1.00 0.00 H new ATOM 0 HD11 ILE A 81 0.562 -2.603 -0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -0.798 -1.756 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.426 -2.577 0.935 1.00 0.00 H new ATOM 1322 N ASN A 82 -1.273 -2.590 3.893 1.00 0.00 N ATOM 1323 CA ASN A 82 -0.730 -1.347 4.464 1.00 0.00 C ATOM 1324 C ASN A 82 0.325 -1.643 5.504 1.00 0.00 C ATOM 1325 O ASN A 82 1.282 -0.894 5.689 1.00 0.00 O ATOM 1326 CB ASN A 82 -1.833 -0.507 5.110 1.00 0.00 C ATOM 1327 CG ASN A 82 -1.346 0.884 5.476 1.00 0.00 C ATOM 1328 OD1 ASN A 82 -1.314 1.785 4.634 1.00 0.00 O ATOM 1329 ND2 ASN A 82 -0.983 1.076 6.732 1.00 0.00 N ATOM 0 H ASN A 82 -2.224 -2.811 4.190 1.00 0.00 H new ATOM 0 HA ASN A 82 -0.284 -0.788 3.641 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -2.677 -0.427 4.425 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -2.196 -1.012 6.005 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.662 1.995 7.035 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.024 0.305 7.398 1.00 0.00 H new ATOM 1336 N ASN A 83 0.128 -2.737 6.181 1.00 0.00 N ATOM 1337 CA ASN A 83 1.000 -3.163 7.242 1.00 0.00 C ATOM 1338 C ASN A 83 2.227 -3.853 6.631 1.00 0.00 C ATOM 1339 O ASN A 83 3.362 -3.640 7.061 1.00 0.00 O ATOM 1340 CB ASN A 83 0.128 -4.030 8.168 1.00 0.00 C ATOM 1341 CG ASN A 83 0.538 -5.490 8.344 1.00 0.00 C ATOM 1342 OD1 ASN A 83 1.717 -5.841 8.405 1.00 0.00 O ATOM 1343 ND2 ASN A 83 -0.458 -6.358 8.447 1.00 0.00 N ATOM 0 H ASN A 83 -0.654 -3.369 6.010 1.00 0.00 H new ATOM 0 HA ASN A 83 1.420 -2.357 7.843 1.00 0.00 H new ATOM 0 HB2 ASN A 83 0.112 -3.562 9.152 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -0.893 -4.009 7.788 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -0.259 -7.349 8.581 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -1.424 -6.035 8.392 1.00 0.00 H new ATOM 1350 N LYS A 84 1.971 -4.661 5.599 1.00 0.00 N ATOM 1351 CA LYS A 84 3.056 -5.179 4.768 1.00 0.00 C ATOM 1352 C LYS A 84 3.708 -4.031 4.008 1.00 0.00 C ATOM 1353 O LYS A 84 4.867 -4.108 3.632 1.00 0.00 O ATOM 1354 CB LYS A 84 2.572 -6.230 3.765 1.00 0.00 C ATOM 1355 CG LYS A 84 2.256 -7.588 4.371 1.00 0.00 C ATOM 1356 CD LYS A 84 1.825 -8.570 3.291 1.00 0.00 C ATOM 1357 CE LYS A 84 1.446 -9.925 3.867 1.00 0.00 C ATOM 1358 NZ LYS A 84 2.591 -10.592 4.543 1.00 0.00 N ATOM 0 H LYS A 84 1.037 -4.966 5.323 1.00 0.00 H new ATOM 0 HA LYS A 84 3.773 -5.659 5.434 1.00 0.00 H new ATOM 0 HB2 LYS A 84 1.679 -5.853 3.267 1.00 0.00 H new ATOM 0 HB3 LYS A 84 3.335 -6.358 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 84 3.133 -7.973 4.891 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.465 -7.486 5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.976 -8.158 2.746 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.635 -8.696 2.572 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.630 -9.799 4.579 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.075 -10.566 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.319 -11.558 4.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.403 -10.630 3.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.853 -10.054 5.394 1.00 0.00 H new ATOM 1372 N LEU A 85 2.935 -2.980 3.776 1.00 0.00 N ATOM 1373 CA LEU A 85 3.418 -1.779 3.120 1.00 0.00 C ATOM 1374 C LEU A 85 4.415 -1.117 4.014 1.00 0.00 C ATOM 1375 O LEU A 85 5.530 -0.885 3.608 1.00 0.00 O ATOM 1376 CB LEU A 85 2.263 -0.822 2.787 1.00 0.00 C ATOM 1377 CG LEU A 85 2.636 0.468 2.051 1.00 0.00 C ATOM 1378 CD1 LEU A 85 1.498 0.905 1.145 1.00 0.00 C ATOM 1379 CD2 LEU A 85 2.957 1.576 3.040 1.00 0.00 C ATOM 0 H LEU A 85 1.951 -2.939 4.040 1.00 0.00 H new ATOM 0 HA LEU A 85 3.890 -2.049 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.536 -1.363 2.181 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.764 -0.552 3.718 1.00 0.00 H new ATOM 0 HG LEU A 85 3.521 0.271 1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.777 1.823 0.628 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.295 0.123 0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.604 1.082 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 85 3.220 2.484 2.497 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.086 1.767 3.667 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.796 1.273 3.667 1.00 0.00 H new ATOM 1391 N GLU A 86 4.016 -0.855 5.245 1.00 0.00 N ATOM 1392 CA GLU A 86 4.926 -0.335 6.238 1.00 0.00 C ATOM 1393 C GLU A 86 6.197 -1.169 6.216 1.00 0.00 C ATOM 1394 O GLU A 86 7.289 -0.652 6.032 1.00 0.00 O ATOM 1395 CB GLU A 86 4.263 -0.409 7.613 1.00 0.00 C ATOM 1396 CG GLU A 86 5.074 0.220 8.730 1.00 0.00 C ATOM 1397 CD GLU A 86 5.293 1.698 8.523 1.00 0.00 C ATOM 1398 OE1 GLU A 86 4.298 2.443 8.432 1.00 0.00 O ATOM 1399 OE2 GLU A 86 6.463 2.126 8.472 1.00 0.00 O ATOM 0 H GLU A 86 3.062 -0.996 5.578 1.00 0.00 H new ATOM 0 HA GLU A 86 5.174 0.705 6.024 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.292 0.084 7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.077 -1.455 7.859 1.00 0.00 H new ATOM 0 HG2 GLU A 86 4.563 0.061 9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.040 -0.281 8.800 1.00 0.00 H new ATOM 1406 N ARG A 87 6.004 -2.487 6.348 1.00 0.00 N ATOM 1407 CA ARG A 87 7.121 -3.427 6.350 1.00 0.00 C ATOM 1408 C ARG A 87 7.989 -3.323 5.089 1.00 0.00 C ATOM 1409 O ARG A 87 9.218 -3.243 5.172 1.00 0.00 O ATOM 1410 CB ARG A 87 6.608 -4.836 6.495 1.00 0.00 C ATOM 1411 CG ARG A 87 6.184 -5.214 7.904 1.00 0.00 C ATOM 1412 CD ARG A 87 5.651 -6.638 7.954 1.00 0.00 C ATOM 1413 NE ARG A 87 6.605 -7.593 7.390 1.00 0.00 N ATOM 1414 CZ ARG A 87 6.362 -8.892 7.226 1.00 0.00 C ATOM 1415 NH1 ARG A 87 5.216 -9.420 7.636 1.00 0.00 N ATOM 1416 NH2 ARG A 87 7.279 -9.667 6.662 1.00 0.00 N ATOM 0 H ARG A 87 5.087 -2.921 6.454 1.00 0.00 H new ATOM 0 HA ARG A 87 7.752 -3.166 7.200 1.00 0.00 H new ATOM 0 HB2 ARG A 87 5.758 -4.970 5.826 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.384 -5.527 6.166 1.00 0.00 H new ATOM 0 HG2 ARG A 87 7.033 -5.117 8.581 1.00 0.00 H new ATOM 0 HG3 ARG A 87 5.417 -4.523 8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.433 -6.909 8.987 1.00 0.00 H new ATOM 0 HD3 ARG A 87 4.711 -6.694 7.404 1.00 0.00 H new ATOM 0 HE ARG A 87 7.518 -7.240 7.103 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.513 -8.830 8.081 1.00 0.00 H new ATOM 0 HH12 ARG A 87 5.038 -10.416 7.506 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.166 -9.267 6.356 1.00 0.00 H new ATOM 0 HH22 ARG A 87 7.097 -10.662 6.534 1.00 0.00 H new ATOM 1430 N GLN A 88 7.347 -3.251 3.932 1.00 0.00 N ATOM 1431 CA GLN A 88 8.042 -3.403 2.659 1.00 0.00 C ATOM 1432 C GLN A 88 8.607 -2.081 2.252 1.00 0.00 C ATOM 1433 O GLN A 88 9.772 -1.956 1.891 1.00 0.00 O ATOM 1434 CB GLN A 88 7.089 -3.877 1.572 1.00 0.00 C ATOM 1435 CG GLN A 88 7.251 -5.340 1.198 1.00 0.00 C ATOM 1436 CD GLN A 88 6.365 -5.746 0.036 1.00 0.00 C ATOM 1437 OE1 GLN A 88 6.070 -4.945 -0.850 1.00 0.00 O ATOM 1438 NE2 GLN A 88 5.935 -6.995 0.030 1.00 0.00 N ATOM 0 H GLN A 88 6.344 -3.088 3.847 1.00 0.00 H new ATOM 0 HA GLN A 88 8.833 -4.142 2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 88 6.064 -3.710 1.904 1.00 0.00 H new ATOM 0 HB3 GLN A 88 7.239 -3.267 0.681 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.293 -5.532 0.941 1.00 0.00 H new ATOM 0 HG3 GLN A 88 7.017 -5.961 2.063 1.00 0.00 H new ATOM 0 HE21 GLN A 88 6.201 -7.630 0.783 1.00 0.00 H new ATOM 0 HE22 GLN A 88 5.337 -7.325 -0.727 1.00 0.00 H new ATOM 1447 N VAL A 89 7.733 -1.110 2.312 1.00 0.00 N ATOM 1448 CA VAL A 89 8.059 0.265 2.072 1.00 0.00 C ATOM 1449 C VAL A 89 9.273 0.688 2.867 1.00 0.00 C ATOM 1450 O VAL A 89 10.215 1.264 2.320 1.00 0.00 O ATOM 1451 CB VAL A 89 6.855 1.158 2.414 1.00 0.00 C ATOM 1452 CG1 VAL A 89 7.277 2.571 2.807 1.00 0.00 C ATOM 1453 CG2 VAL A 89 5.901 1.210 1.236 1.00 0.00 C ATOM 0 H VAL A 89 6.749 -1.262 2.535 1.00 0.00 H new ATOM 0 HA VAL A 89 8.298 0.379 1.015 1.00 0.00 H new ATOM 0 HB VAL A 89 6.354 0.717 3.276 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.392 3.164 3.039 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.925 2.527 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.816 3.033 1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.050 1.844 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.417 1.619 0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.549 0.204 1.008 1.00 0.00 H new ATOM 1463 N ARG A 90 9.268 0.379 4.153 1.00 0.00 N ATOM 1464 CA ARG A 90 10.410 0.765 4.981 1.00 0.00 C ATOM 1465 C ARG A 90 11.608 -0.135 4.727 1.00 0.00 C ATOM 1466 O ARG A 90 12.731 0.345 4.715 1.00 0.00 O ATOM 1467 CB ARG A 90 10.105 0.823 6.478 1.00 0.00 C ATOM 1468 CG ARG A 90 9.900 -0.522 7.155 1.00 0.00 C ATOM 1469 CD ARG A 90 9.413 -0.336 8.583 1.00 0.00 C ATOM 1470 NE ARG A 90 10.337 0.480 9.371 1.00 0.00 N ATOM 1471 CZ ARG A 90 9.997 1.604 10.006 1.00 0.00 C ATOM 1472 NH1 ARG A 90 8.767 2.098 9.904 1.00 0.00 N ATOM 1473 NH2 ARG A 90 10.905 2.252 10.724 1.00 0.00 N ATOM 0 H ARG A 90 8.520 -0.118 4.637 1.00 0.00 H new ATOM 0 HA ARG A 90 10.649 1.783 4.675 1.00 0.00 H new ATOM 0 HB2 ARG A 90 10.923 1.341 6.978 1.00 0.00 H new ATOM 0 HB3 ARG A 90 9.209 1.425 6.626 1.00 0.00 H new ATOM 0 HG2 ARG A 90 9.176 -1.111 6.592 1.00 0.00 H new ATOM 0 HG3 ARG A 90 10.836 -1.081 7.154 1.00 0.00 H new ATOM 0 HD2 ARG A 90 8.430 0.135 8.573 1.00 0.00 H new ATOM 0 HD3 ARG A 90 9.295 -1.311 9.056 1.00 0.00 H new ATOM 0 HE ARG A 90 11.306 0.169 9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 90 8.070 1.617 9.335 1.00 0.00 H new ATOM 0 HH12 ARG A 90 8.520 2.958 10.394 1.00 0.00 H new ATOM 0 HH21 ARG A 90 11.857 1.891 10.789 1.00 0.00 H new ATOM 0 HH22 ARG A 90 10.651 3.111 11.211 1.00 0.00 H new ATOM 1487 N LYS A 91 11.390 -1.428 4.506 1.00 0.00 N ATOM 1488 CA LYS A 91 12.499 -2.310 4.192 1.00 0.00 C ATOM 1489 C LYS A 91 13.203 -1.819 2.939 1.00 0.00 C ATOM 1490 O LYS A 91 14.429 -1.717 2.888 1.00 0.00 O ATOM 1491 CB LYS A 91 12.032 -3.717 4.020 1.00 0.00 C ATOM 1492 CG LYS A 91 13.130 -4.712 3.670 1.00 0.00 C ATOM 1493 CD LYS A 91 12.597 -6.138 3.586 1.00 0.00 C ATOM 1494 CE LYS A 91 12.138 -6.649 4.945 1.00 0.00 C ATOM 1495 NZ LYS A 91 11.625 -8.042 4.877 1.00 0.00 N ATOM 0 H LYS A 91 10.475 -1.877 4.538 1.00 0.00 H new ATOM 0 HA LYS A 91 13.204 -2.296 5.023 1.00 0.00 H new ATOM 0 HB2 LYS A 91 11.548 -4.040 4.941 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.275 -3.741 3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 91 13.580 -4.436 2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.918 -4.662 4.421 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.764 -6.174 2.883 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.374 -6.794 3.194 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.970 -6.604 5.648 1.00 0.00 H new ATOM 0 HE3 LYS A 91 11.357 -5.995 5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 11.324 -8.348 5.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 10.815 -8.082 4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.377 -8.672 4.532 1.00 0.00 H new ATOM 1509 N TYR A 92 12.396 -1.450 1.959 1.00 0.00 N ATOM 1510 CA TYR A 92 12.894 -0.982 0.677 1.00 0.00 C ATOM 1511 C TYR A 92 13.578 0.374 0.823 1.00 0.00 C ATOM 1512 O TYR A 92 14.764 0.510 0.532 1.00 0.00 O ATOM 1513 CB TYR A 92 11.743 -0.878 -0.330 1.00 0.00 C ATOM 1514 CG TYR A 92 12.195 -0.729 -1.769 1.00 0.00 C ATOM 1515 CD1 TYR A 92 12.201 0.511 -2.397 1.00 0.00 C ATOM 1516 CD2 TYR A 92 12.610 -1.836 -2.498 1.00 0.00 C ATOM 1517 CE1 TYR A 92 12.610 0.642 -3.712 1.00 0.00 C ATOM 1518 CE2 TYR A 92 13.022 -1.712 -3.811 1.00 0.00 C ATOM 1519 CZ TYR A 92 13.019 -0.473 -4.414 1.00 0.00 C ATOM 1520 OH TYR A 92 13.424 -0.350 -5.725 1.00 0.00 O ATOM 0 H TYR A 92 11.379 -1.466 2.029 1.00 0.00 H new ATOM 0 HA TYR A 92 13.627 -1.702 0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.119 -1.768 -0.246 1.00 0.00 H new ATOM 0 HB3 TYR A 92 11.119 -0.025 -0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 92 11.881 1.386 -1.850 1.00 0.00 H new ATOM 0 HD2 TYR A 92 12.611 -2.810 -2.031 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.609 1.612 -4.187 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.345 -2.583 -4.362 1.00 0.00 H new ATOM 0 HH TYR A 92 13.681 -1.230 -6.072 1.00 0.00 H new ATOM 1530 N LYS A 93 12.829 1.371 1.293 1.00 0.00 N ATOM 1531 CA LYS A 93 13.343 2.732 1.366 1.00 0.00 C ATOM 1532 C LYS A 93 14.519 2.810 2.329 1.00 0.00 C ATOM 1533 O LYS A 93 15.489 3.512 2.069 1.00 0.00 O ATOM 1534 CB LYS A 93 12.250 3.730 1.792 1.00 0.00 C ATOM 1535 CG LYS A 93 12.268 4.072 3.278 1.00 0.00 C ATOM 1536 CD LYS A 93 11.274 5.166 3.630 1.00 0.00 C ATOM 1537 CE LYS A 93 11.618 6.471 2.928 1.00 0.00 C ATOM 1538 NZ LYS A 93 11.031 7.648 3.621 1.00 0.00 N ATOM 0 H LYS A 93 11.871 1.260 1.626 1.00 0.00 H new ATOM 0 HA LYS A 93 13.680 3.006 0.366 1.00 0.00 H new ATOM 0 HB2 LYS A 93 12.367 4.648 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 93 11.275 3.316 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.040 3.177 3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 93 13.271 4.390 3.563 1.00 0.00 H new ATOM 0 HD2 LYS A 93 10.269 4.852 3.347 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.268 5.321 4.709 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.701 6.582 2.880 1.00 0.00 H new ATOM 0 HE3 LYS A 93 11.255 6.437 1.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.225 8.008 3.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.706 7.367 4.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.751 8.393 3.709 1.00 0.00 H new ATOM 1552 N THR A 94 14.436 2.078 3.433 1.00 0.00 N ATOM 1553 CA THR A 94 15.482 2.116 4.430 1.00 0.00 C ATOM 1554 C THR A 94 16.727 1.379 3.932 1.00 0.00 C ATOM 1555 O THR A 94 17.845 1.845 4.143 1.00 0.00 O ATOM 1556 CB THR A 94 14.990 1.570 5.795 1.00 0.00 C ATOM 1557 OG1 THR A 94 14.118 2.532 6.408 1.00 0.00 O ATOM 1558 CG2 THR A 94 16.148 1.260 6.736 1.00 0.00 C ATOM 0 H THR A 94 13.658 1.457 3.654 1.00 0.00 H new ATOM 0 HA THR A 94 15.757 3.158 4.593 1.00 0.00 H new ATOM 0 HB THR A 94 14.455 0.639 5.609 1.00 0.00 H new ATOM 0 HG1 THR A 94 13.805 2.187 7.270 1.00 0.00 H new ATOM 0 HG21 THR A 94 15.758 0.880 7.680 1.00 0.00 H new ATOM 0 HG22 THR A 94 16.795 0.509 6.282 1.00 0.00 H new ATOM 0 HG23 THR A 94 16.721 2.169 6.920 1.00 0.00 H new ATOM 1566 N ARG A 95 16.540 0.256 3.234 1.00 0.00 N ATOM 1567 CA ARG A 95 17.672 -0.433 2.621 1.00 0.00 C ATOM 1568 C ARG A 95 18.325 0.455 1.568 1.00 0.00 C ATOM 1569 O ARG A 95 19.546 0.556 1.504 1.00 0.00 O ATOM 1570 CB ARG A 95 17.244 -1.757 1.985 1.00 0.00 C ATOM 1571 CG ARG A 95 18.393 -2.514 1.340 1.00 0.00 C ATOM 1572 CD ARG A 95 17.929 -3.820 0.721 1.00 0.00 C ATOM 1573 NE ARG A 95 19.031 -4.535 0.081 1.00 0.00 N ATOM 1574 CZ ARG A 95 19.001 -5.827 -0.243 1.00 0.00 C ATOM 1575 NH1 ARG A 95 17.934 -6.568 0.036 1.00 0.00 N ATOM 1576 NH2 ARG A 95 20.048 -6.379 -0.840 1.00 0.00 N ATOM 0 H ARG A 95 15.634 -0.186 3.082 1.00 0.00 H new ATOM 0 HA ARG A 95 18.392 -0.650 3.410 1.00 0.00 H new ATOM 0 HB2 ARG A 95 16.786 -2.387 2.748 1.00 0.00 H new ATOM 0 HB3 ARG A 95 16.480 -1.560 1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 95 18.854 -1.891 0.573 1.00 0.00 H new ATOM 0 HG3 ARG A 95 19.159 -2.718 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 95 17.484 -4.450 1.491 1.00 0.00 H new ATOM 0 HD3 ARG A 95 17.150 -3.618 -0.014 1.00 0.00 H new ATOM 0 HE ARG A 95 19.879 -4.010 -0.132 1.00 0.00 H new ATOM 0 HH11 ARG A 95 17.129 -6.148 0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 95 17.920 -7.556 -0.216 1.00 0.00 H new ATOM 0 HH21 ARG A 95 20.872 -5.815 -1.049 1.00 0.00 H new ATOM 0 HH22 ARG A 95 20.030 -7.368 -1.090 1.00 0.00 H new ATOM 1590 N ILE A 96 17.500 1.108 0.759 1.00 0.00 N ATOM 1591 CA ILE A 96 17.997 1.988 -0.295 1.00 0.00 C ATOM 1592 C ILE A 96 18.630 3.260 0.290 1.00 0.00 C ATOM 1593 O ILE A 96 19.557 3.832 -0.284 1.00 0.00 O ATOM 1594 CB ILE A 96 16.867 2.342 -1.305 1.00 0.00 C ATOM 1595 CG1 ILE A 96 16.798 1.296 -2.429 1.00 0.00 C ATOM 1596 CG2 ILE A 96 17.048 3.734 -1.901 1.00 0.00 C ATOM 1597 CD1 ILE A 96 16.486 -0.111 -1.962 1.00 0.00 C ATOM 0 H ILE A 96 16.483 1.046 0.811 1.00 0.00 H new ATOM 0 HA ILE A 96 18.776 1.449 -0.835 1.00 0.00 H new ATOM 0 HB ILE A 96 15.929 2.336 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 96 16.038 1.603 -3.147 1.00 0.00 H new ATOM 0 HG13 ILE A 96 17.751 1.286 -2.958 1.00 0.00 H new ATOM 0 HG21 ILE A 96 16.237 3.939 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 96 17.035 4.476 -1.103 1.00 0.00 H new ATOM 0 HG23 ILE A 96 18.001 3.783 -2.427 1.00 0.00 H new ATOM 0 HD11 ILE A 96 16.457 -0.781 -2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 96 17.258 -0.444 -1.268 1.00 0.00 H new ATOM 0 HD13 ILE A 96 15.518 -0.122 -1.461 1.00 0.00 H new ATOM 1609 N ASN A 97 18.143 3.695 1.441 1.00 0.00 N ATOM 1610 CA ASN A 97 18.659 4.909 2.067 1.00 0.00 C ATOM 1611 C ASN A 97 19.735 4.577 3.098 1.00 0.00 C ATOM 1612 O ASN A 97 20.402 5.473 3.620 1.00 0.00 O ATOM 1613 CB ASN A 97 17.521 5.693 2.727 1.00 0.00 C ATOM 1614 CG ASN A 97 17.899 7.128 3.046 1.00 0.00 C ATOM 1615 OD1 ASN A 97 17.495 7.676 4.072 1.00 0.00 O ATOM 1616 ND2 ASN A 97 18.641 7.764 2.153 1.00 0.00 N ATOM 0 H ASN A 97 17.397 3.232 1.960 1.00 0.00 H new ATOM 0 HA ASN A 97 19.109 5.526 1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 97 16.654 5.689 2.067 1.00 0.00 H new ATOM 0 HB3 ASN A 97 17.224 5.188 3.646 1.00 0.00 H new ATOM 0 HD21 ASN A 97 18.896 8.740 2.304 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.958 7.278 1.314 1.00 0.00 H new ATOM 1623 N ARG A 98 19.879 3.284 3.387 1.00 0.00 N ATOM 1624 CA ARG A 98 20.843 2.783 4.368 1.00 0.00 C ATOM 1625 C ARG A 98 22.213 3.457 4.272 1.00 0.00 C ATOM 1626 O ARG A 98 22.581 4.236 5.155 1.00 0.00 O ATOM 1627 CB ARG A 98 20.996 1.271 4.203 1.00 0.00 C ATOM 1628 CG ARG A 98 22.022 0.642 5.129 1.00 0.00 C ATOM 1629 CD ARG A 98 22.166 -0.842 4.848 1.00 0.00 C ATOM 1630 NE ARG A 98 22.439 -1.099 3.434 1.00 0.00 N ATOM 1631 CZ ARG A 98 22.361 -2.295 2.861 1.00 0.00 C ATOM 1632 NH1 ARG A 98 22.031 -3.364 3.577 1.00 0.00 N ATOM 1633 NH2 ARG A 98 22.609 -2.408 1.564 1.00 0.00 N ATOM 0 H ARG A 98 19.327 2.549 2.944 1.00 0.00 H new ATOM 0 HA ARG A 98 20.448 3.025 5.355 1.00 0.00 H new ATOM 0 HB2 ARG A 98 20.029 0.799 4.377 1.00 0.00 H new ATOM 0 HB3 ARG A 98 21.275 1.056 3.171 1.00 0.00 H new ATOM 0 HG2 ARG A 98 22.985 1.136 5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 98 21.723 0.793 6.166 1.00 0.00 H new ATOM 0 HD2 ARG A 98 22.974 -1.251 5.455 1.00 0.00 H new ATOM 0 HD3 ARG A 98 21.253 -1.359 5.142 1.00 0.00 H new ATOM 0 HE ARG A 98 22.707 -0.307 2.849 1.00 0.00 H new ATOM 0 HH11 ARG A 98 21.835 -3.270 4.574 1.00 0.00 H new ATOM 0 HH12 ARG A 98 21.973 -4.279 3.130 1.00 0.00 H new ATOM 0 HH21 ARG A 98 22.856 -1.583 1.018 1.00 0.00 H new ATOM 0 HH22 ARG A 98 22.553 -3.320 1.112 1.00 0.00 H new