USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 683 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 21 CYS SG : rot 180:sc= -0.618 USER MOD Set 1.2: A 67 CYS SG : rot -170:sc= -0.272 USER MOD Set 2.1: A 23 THR OG1 : rot -72:sc= 1.27 USER MOD Set 2.2: A 63 TYR OH : rot 178:sc= 0.525 USER MOD Set 3.1: A 7 SER OG : rot 130:sc= 1.17 USER MOD Set 3.2: A 9 THR OG1 : rot 180:sc= 0.435 USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0.668 K(o=0.67,f=-5.1!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.0388 K(o=-0.039,f=-1.3!) USER MOD Single : A 22 GLN : amide:sc= 0.727 K(o=0.73,f=-0.5) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.336 USER MOD Single : A 32 GLN : amide:sc= 0.825 K(o=0.83,f=-0.3) USER MOD Single : A 34 LYS NZ :NH3+ -128:sc= 0.0138 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 75:sc= 0 USER MOD Single : A 43 THR OG1 : rot 56:sc= 1.27 USER MOD Single : A 46 HIS : no HE2:sc= 0.787 K(o=0.79,f=-3.5!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 30:sc= 0.798 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 HIS : no HE2:sc= -0.169 X(o=-0.17,f=-0.62) USER MOD Single : A 79 HIS : no HE2:sc= -0.516 K(o=-0.52,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 3 4.737 -11.733 -9.084 1.00 0.00 N ATOM 2 CA LYS A 3 3.997 -11.056 -8.026 1.00 0.00 C ATOM 3 C LYS A 3 3.286 -12.057 -7.123 1.00 0.00 C ATOM 4 O LYS A 3 3.037 -11.781 -5.950 1.00 0.00 O ATOM 5 CB LYS A 3 2.985 -10.075 -8.622 1.00 0.00 C ATOM 6 CG LYS A 3 3.608 -8.917 -9.389 1.00 0.00 C ATOM 7 CD LYS A 3 2.545 -7.979 -9.937 1.00 0.00 C ATOM 8 CE LYS A 3 3.165 -6.839 -10.731 1.00 0.00 C ATOM 9 NZ LYS A 3 2.132 -5.970 -11.357 1.00 0.00 N ATOM 0 HA LYS A 3 4.714 -10.501 -7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.319 -10.621 -9.290 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.370 -9.673 -7.817 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.280 -8.364 -8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 3 4.211 -9.305 -10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 3 1.859 -8.537 -10.574 1.00 0.00 H new ATOM 0 HD3 LYS A 3 1.957 -7.573 -9.114 1.00 0.00 H new ATOM 0 HE2 LYS A 3 3.794 -6.239 -10.073 1.00 0.00 H new ATOM 0 HE3 LYS A 3 3.813 -7.248 -11.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 2.597 -5.206 -11.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 1.548 -6.537 -12.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 1.529 -5.559 -10.616 1.00 0.00 H new ATOM 23 N ALA A 4 2.963 -13.220 -7.679 1.00 0.00 N ATOM 24 CA ALA A 4 2.272 -14.262 -6.927 1.00 0.00 C ATOM 25 C ALA A 4 3.214 -14.950 -5.947 1.00 0.00 C ATOM 26 O ALA A 4 2.779 -15.493 -4.930 1.00 0.00 O ATOM 27 CB ALA A 4 1.655 -15.279 -7.876 1.00 0.00 C ATOM 0 H ALA A 4 3.168 -13.465 -8.648 1.00 0.00 H new ATOM 0 HA ALA A 4 1.475 -13.791 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 4 1.143 -16.050 -7.300 1.00 0.00 H new ATOM 0 HB2 ALA A 4 0.940 -14.780 -8.530 1.00 0.00 H new ATOM 0 HB3 ALA A 4 2.439 -15.737 -8.479 1.00 0.00 H new ATOM 33 N LYS A 5 4.505 -14.924 -6.257 1.00 0.00 N ATOM 34 CA LYS A 5 5.518 -15.489 -5.374 1.00 0.00 C ATOM 35 C LYS A 5 5.662 -14.664 -4.102 1.00 0.00 C ATOM 36 O LYS A 5 6.003 -15.193 -3.043 1.00 0.00 O ATOM 37 CB LYS A 5 6.864 -15.586 -6.093 1.00 0.00 C ATOM 38 CG LYS A 5 6.914 -16.636 -7.196 1.00 0.00 C ATOM 39 CD LYS A 5 8.278 -16.668 -7.869 1.00 0.00 C ATOM 40 CE LYS A 5 8.328 -17.716 -8.970 1.00 0.00 C ATOM 41 NZ LYS A 5 9.648 -17.739 -9.656 1.00 0.00 N ATOM 0 H LYS A 5 4.876 -14.517 -7.116 1.00 0.00 H new ATOM 0 HA LYS A 5 5.194 -16.492 -5.095 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.103 -14.613 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 5 7.639 -15.810 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 5 6.690 -17.617 -6.777 1.00 0.00 H new ATOM 0 HG3 LYS A 5 6.145 -16.423 -7.938 1.00 0.00 H new ATOM 0 HD2 LYS A 5 8.502 -15.687 -8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 5 9.047 -16.881 -7.126 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.123 -18.699 -8.545 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.544 -17.514 -9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.640 -18.467 -10.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 9.833 -16.809 -10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.394 -17.957 -8.965 1.00 0.00 H new ATOM 55 N LEU A 6 5.402 -13.366 -4.211 1.00 0.00 N ATOM 56 CA LEU A 6 5.422 -12.480 -3.054 1.00 0.00 C ATOM 57 C LEU A 6 4.111 -12.556 -2.280 1.00 0.00 C ATOM 58 O LEU A 6 3.056 -12.828 -2.853 1.00 0.00 O ATOM 59 CB LEU A 6 5.699 -11.038 -3.494 1.00 0.00 C ATOM 60 CG LEU A 6 7.047 -10.816 -4.192 1.00 0.00 C ATOM 61 CD1 LEU A 6 7.131 -9.392 -4.725 1.00 0.00 C ATOM 62 CD2 LEU A 6 8.179 -11.096 -3.216 1.00 0.00 C ATOM 0 H LEU A 6 5.174 -12.903 -5.091 1.00 0.00 H new ATOM 0 HA LEU A 6 6.223 -12.807 -2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.903 -10.721 -4.167 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.651 -10.392 -2.617 1.00 0.00 H new ATOM 0 HG LEU A 6 7.136 -11.501 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.092 -9.244 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 6 6.326 -9.223 -5.440 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.036 -8.688 -3.898 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.136 -10.938 -3.714 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.098 -10.423 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 6 8.115 -12.128 -2.872 1.00 0.00 H new ATOM 74 N SER A 7 4.185 -12.312 -0.977 1.00 0.00 N ATOM 75 CA SER A 7 2.989 -12.141 -0.160 1.00 0.00 C ATOM 76 C SER A 7 2.306 -10.811 -0.457 1.00 0.00 C ATOM 77 O SER A 7 2.817 -9.997 -1.224 1.00 0.00 O ATOM 78 CB SER A 7 3.343 -12.237 1.311 1.00 0.00 C ATOM 79 OG SER A 7 3.986 -11.082 1.775 1.00 0.00 O ATOM 0 H SER A 7 5.062 -12.228 -0.463 1.00 0.00 H new ATOM 0 HA SER A 7 2.290 -12.940 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 7 2.436 -12.404 1.892 1.00 0.00 H new ATOM 0 HB3 SER A 7 3.988 -13.100 1.472 1.00 0.00 H new ATOM 0 HG SER A 7 3.547 -10.770 2.594 1.00 0.00 H new ATOM 85 N LEU A 8 1.148 -10.597 0.159 1.00 0.00 N ATOM 86 CA LEU A 8 0.445 -9.324 0.048 1.00 0.00 C ATOM 87 C LEU A 8 1.248 -8.196 0.685 1.00 0.00 C ATOM 88 O LEU A 8 1.204 -7.054 0.225 1.00 0.00 O ATOM 89 CB LEU A 8 -0.939 -9.426 0.699 1.00 0.00 C ATOM 90 CG LEU A 8 -1.950 -10.304 -0.052 1.00 0.00 C ATOM 91 CD1 LEU A 8 -3.222 -10.456 0.772 1.00 0.00 C ATOM 92 CD2 LEU A 8 -2.255 -9.684 -1.406 1.00 0.00 C ATOM 0 H LEU A 8 0.676 -11.289 0.741 1.00 0.00 H new ATOM 0 HA LEU A 8 0.323 -9.094 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.820 -9.819 1.709 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -1.353 -8.422 0.794 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.525 -11.295 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.933 -11.080 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.983 -10.923 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -3.661 -9.474 0.947 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.973 -10.308 -1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.675 -8.688 -1.264 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.336 -9.611 -1.988 1.00 0.00 H new ATOM 104 N THR A 9 1.981 -8.522 1.744 1.00 0.00 N ATOM 105 CA THR A 9 2.787 -7.534 2.451 1.00 0.00 C ATOM 106 C THR A 9 4.109 -7.287 1.733 1.00 0.00 C ATOM 107 O THR A 9 4.608 -6.162 1.698 1.00 0.00 O ATOM 108 CB THR A 9 3.076 -7.970 3.898 1.00 0.00 C ATOM 109 OG1 THR A 9 3.754 -9.233 3.894 1.00 0.00 O ATOM 110 CG2 THR A 9 1.780 -8.098 4.685 1.00 0.00 C ATOM 0 H THR A 9 2.033 -9.464 2.132 1.00 0.00 H new ATOM 0 HA THR A 9 2.207 -6.611 2.469 1.00 0.00 H new ATOM 0 HB THR A 9 3.704 -7.214 4.370 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.939 -9.508 4.816 1.00 0.00 H new ATOM 0 HG21 THR A 9 2.003 -8.407 5.706 1.00 0.00 H new ATOM 0 HG22 THR A 9 1.268 -7.136 4.701 1.00 0.00 H new ATOM 0 HG23 THR A 9 1.139 -8.843 4.212 1.00 0.00 H new ATOM 118 N GLN A 10 4.673 -8.346 1.161 1.00 0.00 N ATOM 119 CA GLN A 10 5.915 -8.237 0.406 1.00 0.00 C ATOM 120 C GLN A 10 5.697 -7.510 -0.913 1.00 0.00 C ATOM 121 O GLN A 10 6.486 -6.646 -1.296 1.00 0.00 O ATOM 122 CB GLN A 10 6.502 -9.627 0.139 1.00 0.00 C ATOM 123 CG GLN A 10 7.080 -10.305 1.370 1.00 0.00 C ATOM 124 CD GLN A 10 7.332 -11.784 1.151 1.00 0.00 C ATOM 125 OE1 GLN A 10 6.848 -12.374 0.180 1.00 0.00 O ATOM 126 NE2 GLN A 10 8.087 -12.396 2.055 1.00 0.00 N ATOM 0 H GLN A 10 4.289 -9.290 1.206 1.00 0.00 H new ATOM 0 HA GLN A 10 6.617 -7.659 1.006 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.723 -10.264 -0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 10 7.284 -9.540 -0.615 1.00 0.00 H new ATOM 0 HG2 GLN A 10 8.015 -9.817 1.645 1.00 0.00 H new ATOM 0 HG3 GLN A 10 6.395 -10.176 2.208 1.00 0.00 H new ATOM 0 HE21 GLN A 10 8.467 -11.870 2.842 1.00 0.00 H new ATOM 0 HE22 GLN A 10 8.287 -13.392 1.962 1.00 0.00 H new ATOM 135 N LEU A 11 4.620 -7.865 -1.608 1.00 0.00 N ATOM 136 CA LEU A 11 4.321 -7.279 -2.910 1.00 0.00 C ATOM 137 C LEU A 11 4.022 -5.790 -2.788 1.00 0.00 C ATOM 138 O LEU A 11 4.540 -4.979 -3.555 1.00 0.00 O ATOM 139 CB LEU A 11 3.139 -8.009 -3.559 1.00 0.00 C ATOM 140 CG LEU A 11 2.725 -7.482 -4.939 1.00 0.00 C ATOM 141 CD1 LEU A 11 3.901 -7.561 -5.901 1.00 0.00 C ATOM 142 CD2 LEU A 11 1.547 -8.292 -5.460 1.00 0.00 C ATOM 0 H LEU A 11 3.940 -8.556 -1.291 1.00 0.00 H new ATOM 0 HA LEU A 11 5.200 -7.394 -3.544 1.00 0.00 H new ATOM 0 HB2 LEU A 11 3.391 -9.065 -3.652 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.281 -7.944 -2.890 1.00 0.00 H new ATOM 0 HG LEU A 11 2.423 -6.438 -4.854 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.598 -7.185 -6.878 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.724 -6.957 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.225 -8.598 -5.996 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.253 -7.917 -6.440 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.835 -9.340 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 11 0.708 -8.200 -4.770 1.00 0.00 H new ATOM 154 N ILE A 12 3.184 -5.437 -1.820 1.00 0.00 N ATOM 155 CA ILE A 12 2.844 -4.041 -1.571 1.00 0.00 C ATOM 156 C ILE A 12 4.072 -3.242 -1.150 1.00 0.00 C ATOM 157 O ILE A 12 4.303 -2.137 -1.639 1.00 0.00 O ATOM 158 CB ILE A 12 1.759 -3.907 -0.489 1.00 0.00 C ATOM 159 CG1 ILE A 12 0.418 -4.432 -1.009 1.00 0.00 C ATOM 160 CG2 ILE A 12 1.629 -2.459 -0.041 1.00 0.00 C ATOM 161 CD1 ILE A 12 -0.638 -4.575 0.063 1.00 0.00 C ATOM 0 H ILE A 12 2.727 -6.100 -1.194 1.00 0.00 H new ATOM 0 HA ILE A 12 2.458 -3.640 -2.508 1.00 0.00 H new ATOM 0 HB ILE A 12 2.053 -4.507 0.372 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.049 -3.757 -1.782 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.576 -5.401 -1.482 1.00 0.00 H new ATOM 0 HG21 ILE A 12 0.857 -2.383 0.725 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.580 -2.118 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.357 -1.837 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.559 -4.952 -0.382 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.291 -5.273 0.825 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -0.826 -3.604 0.520 1.00 0.00 H new ATOM 173 N LEU A 13 4.854 -3.808 -0.238 1.00 0.00 N ATOM 174 CA LEU A 13 6.040 -3.133 0.281 1.00 0.00 C ATOM 175 C LEU A 13 7.027 -2.821 -0.836 1.00 0.00 C ATOM 176 O LEU A 13 7.511 -1.695 -0.951 1.00 0.00 O ATOM 177 CB LEU A 13 6.708 -3.992 1.360 1.00 0.00 C ATOM 178 CG LEU A 13 7.997 -3.410 1.953 1.00 0.00 C ATOM 179 CD1 LEU A 13 7.703 -2.082 2.637 1.00 0.00 C ATOM 180 CD2 LEU A 13 8.600 -4.402 2.936 1.00 0.00 C ATOM 0 H LEU A 13 4.689 -4.733 0.158 1.00 0.00 H new ATOM 0 HA LEU A 13 5.726 -2.188 0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.994 -4.151 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.932 -4.971 0.936 1.00 0.00 H new ATOM 0 HG LEU A 13 8.716 -3.230 1.154 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.624 -1.676 3.055 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.295 -1.380 1.909 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.979 -2.237 3.437 1.00 0.00 H new ATOM 0 HD21 LEU A 13 9.516 -3.987 3.356 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.889 -4.597 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.828 -5.334 2.419 1.00 0.00 H new ATOM 192 N ILE A 14 7.323 -3.825 -1.656 1.00 0.00 N ATOM 193 CA ILE A 14 8.331 -3.687 -2.701 1.00 0.00 C ATOM 194 C ILE A 14 7.864 -2.738 -3.796 1.00 0.00 C ATOM 195 O ILE A 14 8.613 -1.863 -4.232 1.00 0.00 O ATOM 196 CB ILE A 14 8.681 -5.049 -3.329 1.00 0.00 C ATOM 197 CG1 ILE A 14 9.419 -5.930 -2.318 1.00 0.00 C ATOM 198 CG2 ILE A 14 9.517 -4.856 -4.583 1.00 0.00 C ATOM 199 CD1 ILE A 14 9.550 -7.374 -2.746 1.00 0.00 C ATOM 0 H ILE A 14 6.879 -4.743 -1.617 1.00 0.00 H new ATOM 0 HA ILE A 14 9.222 -3.276 -2.226 1.00 0.00 H new ATOM 0 HB ILE A 14 7.755 -5.551 -3.609 1.00 0.00 H new ATOM 0 HG12 ILE A 14 10.415 -5.519 -2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 14 8.893 -5.890 -1.364 1.00 0.00 H new ATOM 0 HG21 ILE A 14 9.756 -5.828 -5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.956 -4.266 -5.307 1.00 0.00 H new ATOM 0 HG23 ILE A 14 10.440 -4.336 -4.328 1.00 0.00 H new ATOM 0 HD11 ILE A 14 10.084 -7.934 -1.978 1.00 0.00 H new ATOM 0 HD12 ILE A 14 8.558 -7.804 -2.885 1.00 0.00 H new ATOM 0 HD13 ILE A 14 10.103 -7.427 -3.684 1.00 0.00 H new ATOM 211 N ARG A 15 6.624 -2.916 -4.237 1.00 0.00 N ATOM 212 CA ARG A 15 6.082 -2.125 -5.336 1.00 0.00 C ATOM 213 C ARG A 15 5.815 -0.689 -4.904 1.00 0.00 C ATOM 214 O ARG A 15 5.967 0.244 -5.691 1.00 0.00 O ATOM 215 CB ARG A 15 4.841 -2.764 -5.944 1.00 0.00 C ATOM 216 CG ARG A 15 5.062 -4.144 -6.545 1.00 0.00 C ATOM 217 CD ARG A 15 5.944 -4.156 -7.740 1.00 0.00 C ATOM 218 NE ARG A 15 6.114 -5.466 -8.349 1.00 0.00 N ATOM 219 CZ ARG A 15 6.975 -5.738 -9.350 1.00 0.00 C ATOM 220 NH1 ARG A 15 7.716 -4.791 -9.881 1.00 0.00 N ATOM 221 NH2 ARG A 15 7.036 -6.979 -9.800 1.00 0.00 N ATOM 0 H ARG A 15 5.975 -3.601 -3.850 1.00 0.00 H new ATOM 0 HA ARG A 15 6.841 -2.101 -6.118 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.073 -2.838 -5.174 1.00 0.00 H new ATOM 0 HB3 ARG A 15 4.453 -2.104 -6.719 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.493 -4.794 -5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.095 -4.568 -6.817 1.00 0.00 H new ATOM 0 HD2 ARG A 15 5.535 -3.473 -8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 15 6.924 -3.770 -7.457 1.00 0.00 H new ATOM 0 HE ARG A 15 5.542 -6.232 -7.994 1.00 0.00 H new ATOM 0 HH11 ARG A 15 7.644 -3.834 -9.536 1.00 0.00 H new ATOM 0 HH12 ARG A 15 8.363 -5.013 -10.638 1.00 0.00 H new ATOM 0 HH21 ARG A 15 6.441 -7.700 -9.391 1.00 0.00 H new ATOM 0 HH22 ARG A 15 7.678 -7.216 -10.557 1.00 0.00 H new ATOM 235 N LEU A 16 5.414 -0.519 -3.648 1.00 0.00 N ATOM 236 CA LEU A 16 5.212 0.809 -3.081 1.00 0.00 C ATOM 237 C LEU A 16 6.537 1.532 -2.886 1.00 0.00 C ATOM 238 O LEU A 16 6.639 2.737 -3.120 1.00 0.00 O ATOM 239 CB LEU A 16 4.457 0.708 -1.751 1.00 0.00 C ATOM 240 CG LEU A 16 4.159 2.048 -1.066 1.00 0.00 C ATOM 241 CD1 LEU A 16 3.311 2.923 -1.979 1.00 0.00 C ATOM 242 CD2 LEU A 16 3.446 1.796 0.255 1.00 0.00 C ATOM 0 H LEU A 16 5.222 -1.286 -3.003 1.00 0.00 H new ATOM 0 HA LEU A 16 4.614 1.390 -3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 16 3.514 0.190 -1.925 1.00 0.00 H new ATOM 0 HB3 LEU A 16 5.039 0.090 -1.067 1.00 0.00 H new ATOM 0 HG LEU A 16 5.094 2.571 -0.865 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.104 3.872 -1.484 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.849 3.108 -2.909 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.371 2.416 -2.199 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.234 2.748 0.742 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.511 1.268 0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.082 1.191 0.902 1.00 0.00 H new ATOM 254 N SER A 17 7.553 0.791 -2.455 1.00 0.00 N ATOM 255 CA SER A 17 8.878 1.359 -2.236 1.00 0.00 C ATOM 256 C SER A 17 9.466 1.900 -3.533 1.00 0.00 C ATOM 257 O SER A 17 10.096 2.958 -3.544 1.00 0.00 O ATOM 258 CB SER A 17 9.799 0.316 -1.633 1.00 0.00 C ATOM 259 OG SER A 17 11.091 0.815 -1.424 1.00 0.00 O ATOM 0 H SER A 17 7.483 -0.206 -2.250 1.00 0.00 H new ATOM 0 HA SER A 17 8.780 2.192 -1.540 1.00 0.00 H new ATOM 0 HB2 SER A 17 9.386 -0.028 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 17 9.847 -0.550 -2.293 1.00 0.00 H new ATOM 0 HG SER A 17 11.653 0.114 -1.033 1.00 0.00 H new ATOM 265 N ASN A 18 9.255 1.171 -4.623 1.00 0.00 N ATOM 266 CA ASN A 18 9.772 1.572 -5.925 1.00 0.00 C ATOM 267 C ASN A 18 9.171 2.897 -6.373 1.00 0.00 C ATOM 268 O ASN A 18 9.856 3.737 -6.954 1.00 0.00 O ATOM 269 CB ASN A 18 9.528 0.503 -6.973 1.00 0.00 C ATOM 270 CG ASN A 18 10.417 -0.701 -6.830 1.00 0.00 C ATOM 271 OD1 ASN A 18 11.482 -0.640 -6.203 1.00 0.00 O ATOM 272 ND2 ASN A 18 10.029 -1.772 -7.475 1.00 0.00 N ATOM 0 H ASN A 18 8.728 0.298 -4.630 1.00 0.00 H new ATOM 0 HA ASN A 18 10.849 1.702 -5.817 1.00 0.00 H new ATOM 0 HB2 ASN A 18 8.487 0.183 -6.917 1.00 0.00 H new ATOM 0 HB3 ASN A 18 9.676 0.937 -7.962 1.00 0.00 H new ATOM 0 HD21 ASN A 18 10.614 -2.607 -7.475 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.141 -1.771 -7.977 1.00 0.00 H new ATOM 279 N ARG A 19 7.883 3.078 -6.100 1.00 0.00 N ATOM 280 CA ARG A 19 7.175 4.285 -6.509 1.00 0.00 C ATOM 281 C ARG A 19 7.178 5.329 -5.399 1.00 0.00 C ATOM 282 O ARG A 19 6.936 6.509 -5.644 1.00 0.00 O ATOM 283 CB ARG A 19 5.761 3.987 -6.989 1.00 0.00 C ATOM 284 CG ARG A 19 5.677 3.092 -8.215 1.00 0.00 C ATOM 285 CD ARG A 19 6.084 3.751 -9.483 1.00 0.00 C ATOM 286 NE ARG A 19 5.919 2.928 -10.669 1.00 0.00 N ATOM 287 CZ ARG A 19 6.121 3.354 -11.931 1.00 0.00 C ATOM 288 NH1 ARG A 19 6.455 4.600 -12.178 1.00 0.00 N ATOM 289 NH2 ARG A 19 5.948 2.492 -12.917 1.00 0.00 N ATOM 0 H ARG A 19 7.308 2.403 -5.596 1.00 0.00 H new ATOM 0 HA ARG A 19 7.716 4.700 -7.360 1.00 0.00 H new ATOM 0 HB2 ARG A 19 5.208 3.517 -6.176 1.00 0.00 H new ATOM 0 HB3 ARG A 19 5.262 4.930 -7.211 1.00 0.00 H new ATOM 0 HG2 ARG A 19 6.307 2.217 -8.055 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.653 2.733 -8.318 1.00 0.00 H new ATOM 0 HD2 ARG A 19 5.502 4.664 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 19 7.130 4.047 -9.404 1.00 0.00 H new ATOM 0 HE ARG A 19 5.630 1.959 -10.537 1.00 0.00 H new ATOM 0 HH11 ARG A 19 6.565 5.261 -11.409 1.00 0.00 H new ATOM 0 HH12 ARG A 19 6.604 4.907 -13.139 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.669 1.533 -12.712 1.00 0.00 H new ATOM 0 HH22 ARG A 19 6.094 2.786 -13.883 1.00 0.00 H new ATOM 303 N GLY A 20 7.455 4.884 -4.179 1.00 0.00 N ATOM 304 CA GLY A 20 7.409 5.763 -3.015 1.00 0.00 C ATOM 305 C GLY A 20 5.995 5.863 -2.458 1.00 0.00 C ATOM 306 O GLY A 20 5.729 5.435 -1.335 1.00 0.00 O ATOM 0 H GLY A 20 7.714 3.920 -3.969 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.081 5.386 -2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 20 7.765 6.755 -3.291 1.00 0.00 H new ATOM 310 N CYS A 21 5.092 6.433 -3.248 1.00 0.00 N ATOM 311 CA CYS A 21 3.699 6.574 -2.842 1.00 0.00 C ATOM 312 C CYS A 21 2.756 6.092 -3.936 1.00 0.00 C ATOM 313 O CYS A 21 2.974 6.355 -5.119 1.00 0.00 O ATOM 314 CB CYS A 21 3.559 8.083 -2.635 1.00 0.00 C ATOM 315 SG CYS A 21 4.684 8.778 -1.401 1.00 0.00 S ATOM 0 H CYS A 21 5.300 6.805 -4.174 1.00 0.00 H new ATOM 0 HA CYS A 21 3.448 5.986 -1.959 1.00 0.00 H new ATOM 0 HB2 CYS A 21 3.730 8.585 -3.587 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.534 8.303 -2.338 1.00 0.00 H new ATOM 0 HG CYS A 21 4.485 10.059 -1.305 1.00 0.00 H new ATOM 321 N GLN A 22 1.705 5.386 -3.535 1.00 0.00 N ATOM 322 CA GLN A 22 0.718 4.876 -4.481 1.00 0.00 C ATOM 323 C GLN A 22 -0.685 4.923 -3.891 1.00 0.00 C ATOM 324 O GLN A 22 -0.864 4.809 -2.678 1.00 0.00 O ATOM 325 CB GLN A 22 1.059 3.440 -4.889 1.00 0.00 C ATOM 326 CG GLN A 22 2.311 3.316 -5.740 1.00 0.00 C ATOM 327 CD GLN A 22 2.072 3.726 -7.182 1.00 0.00 C ATOM 328 OE1 GLN A 22 1.572 2.940 -7.991 1.00 0.00 O ATOM 329 NE2 GLN A 22 2.435 4.961 -7.512 1.00 0.00 N ATOM 0 H GLN A 22 1.514 5.153 -2.560 1.00 0.00 H new ATOM 0 HA GLN A 22 0.744 5.515 -5.363 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.184 2.838 -3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.216 3.020 -5.439 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.100 3.937 -5.314 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.666 2.286 -5.712 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.845 5.577 -6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 22 2.304 5.293 -8.467 1.00 0.00 H new ATOM 338 N THR A 23 -1.679 5.091 -4.756 1.00 0.00 N ATOM 339 CA THR A 23 -3.067 5.191 -4.318 1.00 0.00 C ATOM 340 C THR A 23 -3.693 3.813 -4.155 1.00 0.00 C ATOM 341 O THR A 23 -3.119 2.806 -4.570 1.00 0.00 O ATOM 342 CB THR A 23 -3.914 6.015 -5.307 1.00 0.00 C ATOM 343 OG1 THR A 23 -3.940 5.356 -6.580 1.00 0.00 O ATOM 344 CG2 THR A 23 -3.333 7.411 -5.473 1.00 0.00 C ATOM 0 H THR A 23 -1.550 5.161 -5.765 1.00 0.00 H new ATOM 0 HA THR A 23 -3.056 5.698 -3.353 1.00 0.00 H new ATOM 0 HB THR A 23 -4.927 6.100 -4.913 1.00 0.00 H new ATOM 0 HG1 THR A 23 -3.065 5.445 -7.012 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.944 7.978 -6.175 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.323 7.918 -4.508 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.315 7.338 -5.855 1.00 0.00 H new ATOM 352 N LEU A 24 -4.875 3.774 -3.548 1.00 0.00 N ATOM 353 CA LEU A 24 -5.548 2.512 -3.264 1.00 0.00 C ATOM 354 C LEU A 24 -5.712 1.679 -4.530 1.00 0.00 C ATOM 355 O LEU A 24 -5.417 0.483 -4.540 1.00 0.00 O ATOM 356 CB LEU A 24 -6.914 2.773 -2.618 1.00 0.00 C ATOM 357 CG LEU A 24 -7.729 1.519 -2.277 1.00 0.00 C ATOM 358 CD1 LEU A 24 -6.969 0.661 -1.273 1.00 0.00 C ATOM 359 CD2 LEU A 24 -9.084 1.926 -1.721 1.00 0.00 C ATOM 0 H LEU A 24 -5.386 4.602 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.929 1.948 -2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.761 3.347 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -7.502 3.397 -3.291 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.885 0.931 -3.181 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.555 -0.227 -1.036 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.012 0.361 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.795 1.234 -0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -9.661 1.033 -1.480 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.943 2.522 -0.819 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -9.621 2.515 -2.465 1.00 0.00 H new ATOM 371 N GLU A 25 -6.185 2.316 -5.595 1.00 0.00 N ATOM 372 CA GLU A 25 -6.419 1.629 -6.859 1.00 0.00 C ATOM 373 C GLU A 25 -5.116 1.105 -7.451 1.00 0.00 C ATOM 374 O GLU A 25 -5.068 -0.001 -7.989 1.00 0.00 O ATOM 375 CB GLU A 25 -7.112 2.560 -7.855 1.00 0.00 C ATOM 376 CG GLU A 25 -7.484 1.901 -9.177 1.00 0.00 C ATOM 377 CD GLU A 25 -8.226 2.855 -10.072 1.00 0.00 C ATOM 378 OE1 GLU A 25 -8.450 3.969 -9.666 1.00 0.00 O ATOM 379 OE2 GLU A 25 -8.470 2.507 -11.205 1.00 0.00 O ATOM 0 H GLU A 25 -6.414 3.310 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 25 -7.069 0.777 -6.660 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -8.016 2.958 -7.394 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.458 3.408 -8.057 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.581 1.554 -9.680 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -8.101 1.022 -8.987 1.00 0.00 H new ATOM 386 N GLU A 26 -4.061 1.906 -7.348 1.00 0.00 N ATOM 387 CA GLU A 26 -2.756 1.525 -7.873 1.00 0.00 C ATOM 388 C GLU A 26 -2.184 0.332 -7.118 1.00 0.00 C ATOM 389 O GLU A 26 -1.497 -0.509 -7.697 1.00 0.00 O ATOM 390 CB GLU A 26 -1.785 2.705 -7.805 1.00 0.00 C ATOM 391 CG GLU A 26 -2.039 3.790 -8.843 1.00 0.00 C ATOM 392 CD GLU A 26 -1.163 4.989 -8.605 1.00 0.00 C ATOM 393 OE1 GLU A 26 -1.299 5.606 -7.577 1.00 0.00 O ATOM 394 OE2 GLU A 26 -0.283 5.222 -9.399 1.00 0.00 O ATOM 0 H GLU A 26 -4.085 2.824 -6.905 1.00 0.00 H new ATOM 0 HA GLU A 26 -2.889 1.236 -8.916 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.842 3.150 -6.811 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.769 2.331 -7.929 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.852 3.393 -9.841 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -3.086 4.090 -8.810 1.00 0.00 H new ATOM 401 N LEU A 27 -2.473 0.266 -5.823 1.00 0.00 N ATOM 402 CA LEU A 27 -2.069 -0.874 -5.006 1.00 0.00 C ATOM 403 C LEU A 27 -2.938 -2.090 -5.294 1.00 0.00 C ATOM 404 O LEU A 27 -2.481 -3.229 -5.190 1.00 0.00 O ATOM 405 CB LEU A 27 -2.138 -0.508 -3.518 1.00 0.00 C ATOM 406 CG LEU A 27 -1.134 0.557 -3.061 1.00 0.00 C ATOM 407 CD1 LEU A 27 -1.415 0.955 -1.617 1.00 0.00 C ATOM 408 CD2 LEU A 27 0.282 0.019 -3.205 1.00 0.00 C ATOM 0 H LEU A 27 -2.985 0.988 -5.316 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.040 -1.128 -5.261 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.145 -0.156 -3.293 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -1.978 -1.412 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.237 1.444 -3.686 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.697 1.712 -1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.425 1.359 -1.541 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.325 0.079 -0.974 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.994 0.777 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.396 -0.874 -2.590 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.471 -0.233 -4.249 1.00 0.00 H new ATOM 420 N GLU A 28 -4.193 -1.845 -5.655 1.00 0.00 N ATOM 421 CA GLU A 28 -5.088 -2.910 -6.091 1.00 0.00 C ATOM 422 C GLU A 28 -4.611 -3.528 -7.397 1.00 0.00 C ATOM 423 O GLU A 28 -4.750 -4.733 -7.613 1.00 0.00 O ATOM 424 CB GLU A 28 -6.515 -2.378 -6.251 1.00 0.00 C ATOM 425 CG GLU A 28 -7.545 -3.443 -6.606 1.00 0.00 C ATOM 426 CD GLU A 28 -8.927 -2.856 -6.691 1.00 0.00 C ATOM 427 OE1 GLU A 28 -9.070 -1.683 -6.446 1.00 0.00 O ATOM 428 OE2 GLU A 28 -9.821 -3.555 -7.106 1.00 0.00 O ATOM 0 H GLU A 28 -4.614 -0.916 -5.654 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.083 -3.685 -5.325 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.816 -1.894 -5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.520 -1.612 -7.026 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.283 -3.903 -7.559 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.528 -4.233 -5.856 1.00 0.00 H new ATOM 435 N GLU A 29 -4.047 -2.699 -8.268 1.00 0.00 N ATOM 436 CA GLU A 29 -3.495 -3.173 -9.532 1.00 0.00 C ATOM 437 C GLU A 29 -2.278 -4.060 -9.303 1.00 0.00 C ATOM 438 O GLU A 29 -2.028 -4.998 -10.061 1.00 0.00 O ATOM 439 CB GLU A 29 -3.122 -1.992 -10.430 1.00 0.00 C ATOM 440 CG GLU A 29 -4.313 -1.258 -11.032 1.00 0.00 C ATOM 441 CD GLU A 29 -3.874 -0.049 -11.811 1.00 0.00 C ATOM 442 OE1 GLU A 29 -2.701 0.235 -11.817 1.00 0.00 O ATOM 443 OE2 GLU A 29 -4.693 0.524 -12.489 1.00 0.00 O ATOM 0 H GLU A 29 -3.960 -1.693 -8.122 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.262 -3.767 -10.029 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.529 -1.284 -9.851 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.487 -2.353 -11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.866 -1.933 -11.685 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.994 -0.953 -10.238 1.00 0.00 H new ATOM 450 N PHE A 30 -1.522 -3.760 -8.252 1.00 0.00 N ATOM 451 CA PHE A 30 -0.347 -4.547 -7.903 1.00 0.00 C ATOM 452 C PHE A 30 -0.735 -5.958 -7.476 1.00 0.00 C ATOM 453 O PHE A 30 -0.187 -6.940 -7.976 1.00 0.00 O ATOM 454 CB PHE A 30 0.448 -3.861 -6.790 1.00 0.00 C ATOM 455 CG PHE A 30 1.102 -2.578 -7.215 1.00 0.00 C ATOM 456 CD1 PHE A 30 1.237 -2.263 -8.559 1.00 0.00 C ATOM 457 CD2 PHE A 30 1.586 -1.683 -6.273 1.00 0.00 C ATOM 458 CE1 PHE A 30 1.840 -1.083 -8.951 1.00 0.00 C ATOM 459 CE2 PHE A 30 2.188 -0.502 -6.662 1.00 0.00 C ATOM 460 CZ PHE A 30 2.315 -0.202 -8.004 1.00 0.00 C ATOM 0 H PHE A 30 -1.704 -2.975 -7.626 1.00 0.00 H new ATOM 0 HA PHE A 30 0.280 -4.620 -8.792 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.219 -3.658 -5.952 1.00 0.00 H new ATOM 0 HB3 PHE A 30 1.215 -4.546 -6.428 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.867 -2.948 -9.308 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.491 -1.912 -5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.939 -0.851 -10.001 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.559 0.186 -5.917 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.785 0.721 -8.310 1.00 0.00 H new ATOM 470 N THR A 31 -1.683 -6.049 -6.551 1.00 0.00 N ATOM 471 CA THR A 31 -2.030 -7.324 -5.934 1.00 0.00 C ATOM 472 C THR A 31 -3.084 -8.062 -6.751 1.00 0.00 C ATOM 473 O THR A 31 -3.139 -9.292 -6.745 1.00 0.00 O ATOM 474 CB THR A 31 -2.551 -7.134 -4.498 1.00 0.00 C ATOM 475 OG1 THR A 31 -3.776 -6.389 -4.525 1.00 0.00 O ATOM 476 CG2 THR A 31 -1.529 -6.390 -3.654 1.00 0.00 C ATOM 0 H THR A 31 -2.226 -5.255 -6.211 1.00 0.00 H new ATOM 0 HA THR A 31 -1.116 -7.917 -5.904 1.00 0.00 H new ATOM 0 HB THR A 31 -2.725 -8.116 -4.058 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.107 -6.271 -3.610 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.915 -6.265 -2.642 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.600 -6.960 -3.621 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.338 -5.411 -4.093 1.00 0.00 H new ATOM 484 N GLN A 32 -3.918 -7.304 -7.456 1.00 0.00 N ATOM 485 CA GLN A 32 -5.110 -7.859 -8.087 1.00 0.00 C ATOM 486 C GLN A 32 -5.981 -8.588 -7.072 1.00 0.00 C ATOM 487 O GLN A 32 -6.716 -9.513 -7.421 1.00 0.00 O ATOM 488 CB GLN A 32 -4.722 -8.815 -9.217 1.00 0.00 C ATOM 489 CG GLN A 32 -3.963 -8.156 -10.355 1.00 0.00 C ATOM 490 CD GLN A 32 -4.827 -7.195 -11.150 1.00 0.00 C ATOM 491 OE1 GLN A 32 -5.971 -7.506 -11.495 1.00 0.00 O ATOM 492 NE2 GLN A 32 -4.284 -6.019 -11.447 1.00 0.00 N ATOM 0 H GLN A 32 -3.790 -6.303 -7.605 1.00 0.00 H new ATOM 0 HA GLN A 32 -5.683 -7.029 -8.501 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -4.111 -9.618 -8.805 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.626 -9.274 -9.616 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.104 -7.619 -9.952 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -3.573 -8.926 -11.021 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -3.335 -5.804 -11.142 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.816 -5.332 -11.980 1.00 0.00 H new ATOM 501 N ALA A 33 -5.896 -8.168 -5.815 1.00 0.00 N ATOM 502 CA ALA A 33 -6.694 -8.766 -4.751 1.00 0.00 C ATOM 503 C ALA A 33 -7.988 -7.991 -4.533 1.00 0.00 C ATOM 504 O ALA A 33 -8.109 -6.838 -4.944 1.00 0.00 O ATOM 505 CB ALA A 33 -5.891 -8.835 -3.461 1.00 0.00 C ATOM 0 H ALA A 33 -5.281 -7.414 -5.507 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.956 -9.779 -5.054 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.500 -9.284 -2.677 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.999 -9.442 -3.619 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -5.597 -7.829 -3.161 1.00 0.00 H new ATOM 511 N LYS A 34 -8.953 -8.634 -3.883 1.00 0.00 N ATOM 512 CA LYS A 34 -10.183 -7.962 -3.479 1.00 0.00 C ATOM 513 C LYS A 34 -9.883 -6.698 -2.683 1.00 0.00 C ATOM 514 O LYS A 34 -9.072 -6.713 -1.758 1.00 0.00 O ATOM 515 CB LYS A 34 -11.063 -8.905 -2.659 1.00 0.00 C ATOM 516 CG LYS A 34 -12.411 -8.319 -2.259 1.00 0.00 C ATOM 517 CD LYS A 34 -13.250 -9.331 -1.494 1.00 0.00 C ATOM 518 CE LYS A 34 -14.603 -8.752 -1.108 1.00 0.00 C ATOM 519 NZ LYS A 34 -15.435 -9.732 -0.359 1.00 0.00 N ATOM 0 H LYS A 34 -8.907 -9.620 -3.625 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.720 -7.675 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.232 -9.816 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -10.524 -9.193 -1.757 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -12.256 -7.433 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -12.949 -7.998 -3.151 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.395 -10.222 -2.105 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -12.717 -9.643 -0.596 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.455 -7.861 -0.498 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.133 -8.439 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.370 -9.807 -0.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -14.970 -10.662 -0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.547 -9.412 0.624 1.00 0.00 H new ATOM 533 N ARG A 35 -10.546 -5.605 -3.046 1.00 0.00 N ATOM 534 CA ARG A 35 -10.285 -4.310 -2.429 1.00 0.00 C ATOM 535 C ARG A 35 -10.381 -4.394 -0.911 1.00 0.00 C ATOM 536 O ARG A 35 -9.552 -3.831 -0.195 1.00 0.00 O ATOM 537 CB ARG A 35 -11.185 -3.218 -2.984 1.00 0.00 C ATOM 538 CG ARG A 35 -10.860 -1.813 -2.500 1.00 0.00 C ATOM 539 CD ARG A 35 -11.513 -0.730 -3.280 1.00 0.00 C ATOM 540 NE ARG A 35 -11.119 -0.674 -4.679 1.00 0.00 N ATOM 541 CZ ARG A 35 -11.796 -0.013 -5.639 1.00 0.00 C ATOM 542 NH1 ARG A 35 -12.919 0.615 -5.365 1.00 0.00 N ATOM 543 NH2 ARG A 35 -11.316 -0.035 -6.870 1.00 0.00 N ATOM 0 H ARG A 35 -11.269 -5.591 -3.765 1.00 0.00 H new ATOM 0 HA ARG A 35 -9.262 -4.034 -2.684 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -11.124 -3.235 -4.072 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -12.217 -3.448 -2.719 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -11.159 -1.723 -1.456 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -9.780 -1.670 -2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -12.594 -0.860 -3.225 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -11.283 0.227 -2.812 1.00 0.00 H new ATOM 0 HE ARG A 35 -10.271 -1.170 -4.953 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -13.289 0.606 -4.415 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -13.419 1.111 -6.103 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -10.455 -0.543 -7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -11.806 0.456 -7.617 1.00 0.00 H new ATOM 557 N GLU A 36 -11.395 -5.099 -0.425 1.00 0.00 N ATOM 558 CA GLU A 36 -11.558 -5.325 1.005 1.00 0.00 C ATOM 559 C GLU A 36 -10.315 -5.972 1.606 1.00 0.00 C ATOM 560 O GLU A 36 -9.785 -5.506 2.615 1.00 0.00 O ATOM 561 CB GLU A 36 -12.786 -6.196 1.276 1.00 0.00 C ATOM 562 CG GLU A 36 -13.052 -6.470 2.750 1.00 0.00 C ATOM 563 CD GLU A 36 -14.296 -7.290 2.937 1.00 0.00 C ATOM 564 OE1 GLU A 36 -14.933 -7.602 1.960 1.00 0.00 O ATOM 565 OE2 GLU A 36 -14.554 -7.699 4.044 1.00 0.00 O ATOM 0 H GLU A 36 -12.119 -5.525 -1.003 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.702 -4.354 1.480 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -13.662 -5.711 0.846 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -12.662 -7.148 0.759 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -12.200 -6.993 3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -13.152 -5.526 3.285 1.00 0.00 H new ATOM 572 N VAL A 37 -9.855 -7.050 0.979 1.00 0.00 N ATOM 573 CA VAL A 37 -8.665 -7.755 1.440 1.00 0.00 C ATOM 574 C VAL A 37 -7.437 -6.855 1.391 1.00 0.00 C ATOM 575 O VAL A 37 -6.606 -6.873 2.299 1.00 0.00 O ATOM 576 CB VAL A 37 -8.396 -9.018 0.603 1.00 0.00 C ATOM 577 CG1 VAL A 37 -7.049 -9.625 0.970 1.00 0.00 C ATOM 578 CG2 VAL A 37 -9.508 -10.037 0.802 1.00 0.00 C ATOM 0 H VAL A 37 -10.289 -7.454 0.149 1.00 0.00 H new ATOM 0 HA VAL A 37 -8.856 -8.048 2.472 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.372 -8.733 -0.449 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -6.876 -10.517 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -6.259 -8.899 0.779 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.047 -9.894 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.301 -10.923 0.202 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.562 -10.315 1.854 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -10.459 -9.603 0.492 1.00 0.00 H new ATOM 588 N LEU A 38 -7.329 -6.068 0.327 1.00 0.00 N ATOM 589 CA LEU A 38 -6.249 -5.097 0.198 1.00 0.00 C ATOM 590 C LEU A 38 -6.244 -4.121 1.368 1.00 0.00 C ATOM 591 O LEU A 38 -5.195 -3.830 1.941 1.00 0.00 O ATOM 592 CB LEU A 38 -6.373 -4.340 -1.130 1.00 0.00 C ATOM 593 CG LEU A 38 -5.343 -3.222 -1.342 1.00 0.00 C ATOM 594 CD1 LEU A 38 -3.942 -3.813 -1.430 1.00 0.00 C ATOM 595 CD2 LEU A 38 -5.683 -2.451 -2.609 1.00 0.00 C ATOM 0 H LEU A 38 -7.977 -6.083 -0.460 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.303 -5.638 0.209 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.283 -5.055 -1.948 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.372 -3.909 -1.192 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.371 -2.536 -0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.218 -3.012 -1.580 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.711 -4.342 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.893 -4.509 -2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.951 -1.657 -2.759 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.664 -3.128 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.677 -2.015 -2.514 1.00 0.00 H new ATOM 607 N LEU A 39 -7.422 -3.617 1.716 1.00 0.00 N ATOM 608 CA LEU A 39 -7.551 -2.637 2.788 1.00 0.00 C ATOM 609 C LEU A 39 -7.161 -3.239 4.133 1.00 0.00 C ATOM 610 O LEU A 39 -6.578 -2.563 4.981 1.00 0.00 O ATOM 611 CB LEU A 39 -8.984 -2.094 2.841 1.00 0.00 C ATOM 612 CG LEU A 39 -9.370 -1.159 1.689 1.00 0.00 C ATOM 613 CD1 LEU A 39 -10.868 -0.882 1.720 1.00 0.00 C ATOM 614 CD2 LEU A 39 -8.579 0.138 1.799 1.00 0.00 C ATOM 0 H LEU A 39 -8.304 -3.871 1.270 1.00 0.00 H new ATOM 0 HA LEU A 39 -6.869 -1.813 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -9.675 -2.937 2.851 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -9.119 -1.560 3.782 1.00 0.00 H new ATOM 0 HG LEU A 39 -9.131 -1.636 0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.132 -0.217 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -11.414 -1.820 1.618 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -11.131 -0.411 2.667 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -8.854 0.802 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -8.804 0.622 2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -7.512 -0.081 1.747 1.00 0.00 H new ATOM 626 N VAL A 40 -7.488 -4.513 4.323 1.00 0.00 N ATOM 627 CA VAL A 40 -7.118 -5.226 5.540 1.00 0.00 C ATOM 628 C VAL A 40 -5.604 -5.315 5.685 1.00 0.00 C ATOM 629 O VAL A 40 -5.059 -5.061 6.759 1.00 0.00 O ATOM 630 CB VAL A 40 -7.710 -6.647 5.564 1.00 0.00 C ATOM 631 CG1 VAL A 40 -7.122 -7.449 6.715 1.00 0.00 C ATOM 632 CG2 VAL A 40 -9.227 -6.590 5.677 1.00 0.00 C ATOM 0 H VAL A 40 -8.009 -5.073 3.649 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.528 -4.658 6.375 1.00 0.00 H new ATOM 0 HB VAL A 40 -7.451 -7.144 4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.551 -8.451 6.717 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.041 -7.518 6.595 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.352 -6.954 7.658 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -9.629 -7.603 5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.504 -6.075 6.597 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -9.636 -6.051 4.822 1.00 0.00 H new ATOM 642 N THR A 41 -4.929 -5.676 4.599 1.00 0.00 N ATOM 643 CA THR A 41 -3.475 -5.765 4.595 1.00 0.00 C ATOM 644 C THR A 41 -2.838 -4.398 4.811 1.00 0.00 C ATOM 645 O THR A 41 -1.895 -4.258 5.590 1.00 0.00 O ATOM 646 CB THR A 41 -2.949 -6.362 3.277 1.00 0.00 C ATOM 647 OG1 THR A 41 -3.448 -7.698 3.120 1.00 0.00 O ATOM 648 CG2 THR A 41 -1.428 -6.391 3.273 1.00 0.00 C ATOM 0 H THR A 41 -5.368 -5.912 3.709 1.00 0.00 H new ATOM 0 HA THR A 41 -3.199 -6.425 5.418 1.00 0.00 H new ATOM 0 HB THR A 41 -3.293 -5.738 2.452 1.00 0.00 H new ATOM 0 HG1 THR A 41 -4.395 -7.666 2.872 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.075 -6.816 2.334 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.044 -5.376 3.379 1.00 0.00 H new ATOM 0 HG23 THR A 41 -1.074 -7.001 4.104 1.00 0.00 H new ATOM 656 N LEU A 42 -3.360 -3.393 4.117 1.00 0.00 N ATOM 657 CA LEU A 42 -2.831 -2.038 4.216 1.00 0.00 C ATOM 658 C LEU A 42 -3.069 -1.453 5.602 1.00 0.00 C ATOM 659 O LEU A 42 -2.251 -0.688 6.114 1.00 0.00 O ATOM 660 CB LEU A 42 -3.461 -1.142 3.143 1.00 0.00 C ATOM 661 CG LEU A 42 -3.052 -1.467 1.700 1.00 0.00 C ATOM 662 CD1 LEU A 42 -3.902 -0.663 0.725 1.00 0.00 C ATOM 663 CD2 LEU A 42 -1.576 -1.161 1.508 1.00 0.00 C ATOM 0 H LEU A 42 -4.150 -3.491 3.479 1.00 0.00 H new ATOM 0 HA LEU A 42 -1.754 -2.083 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -4.546 -1.215 3.222 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.195 -0.106 3.355 1.00 0.00 H new ATOM 0 HG LEU A 42 -3.217 -2.527 1.504 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -3.605 -0.899 -0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.953 -0.915 0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.757 0.402 0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -1.287 -1.392 0.483 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.395 -0.105 1.707 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -0.986 -1.766 2.197 1.00 0.00 H new ATOM 675 N THR A 43 -4.195 -1.817 6.206 1.00 0.00 N ATOM 676 CA THR A 43 -4.508 -1.391 7.565 1.00 0.00 C ATOM 677 C THR A 43 -3.508 -1.958 8.564 1.00 0.00 C ATOM 678 O THR A 43 -3.026 -1.247 9.446 1.00 0.00 O ATOM 679 CB THR A 43 -5.929 -1.818 7.980 1.00 0.00 C ATOM 680 OG1 THR A 43 -6.891 -1.157 7.146 1.00 0.00 O ATOM 681 CG2 THR A 43 -6.191 -1.460 9.433 1.00 0.00 C ATOM 0 H THR A 43 -4.907 -2.407 5.775 1.00 0.00 H new ATOM 0 HA THR A 43 -4.449 -0.303 7.573 1.00 0.00 H new ATOM 0 HB THR A 43 -6.017 -2.898 7.863 1.00 0.00 H new ATOM 0 HG1 THR A 43 -6.699 -1.354 6.205 1.00 0.00 H new ATOM 0 HG21 THR A 43 -7.199 -1.769 9.708 1.00 0.00 H new ATOM 0 HG22 THR A 43 -5.469 -1.971 10.070 1.00 0.00 H new ATOM 0 HG23 THR A 43 -6.093 -0.383 9.566 1.00 0.00 H new ATOM 689 N ARG A 44 -3.197 -3.241 8.418 1.00 0.00 N ATOM 690 CA ARG A 44 -2.240 -3.902 9.299 1.00 0.00 C ATOM 691 C ARG A 44 -0.838 -3.335 9.113 1.00 0.00 C ATOM 692 O ARG A 44 -0.083 -3.194 10.075 1.00 0.00 O ATOM 693 CB ARG A 44 -2.256 -5.414 9.131 1.00 0.00 C ATOM 694 CG ARG A 44 -3.470 -6.111 9.726 1.00 0.00 C ATOM 695 CD ARG A 44 -3.471 -7.587 9.562 1.00 0.00 C ATOM 696 NE ARG A 44 -4.598 -8.262 10.185 1.00 0.00 N ATOM 697 CZ ARG A 44 -4.825 -9.589 10.123 1.00 0.00 C ATOM 698 NH1 ARG A 44 -4.029 -10.380 9.437 1.00 0.00 N ATOM 699 NH2 ARG A 44 -5.883 -10.071 10.749 1.00 0.00 N ATOM 0 H ARG A 44 -3.594 -3.845 7.698 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.551 -3.695 10.323 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.206 -5.647 8.067 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -1.357 -5.826 9.590 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -3.524 -5.876 10.789 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.370 -5.706 9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.466 -7.822 8.498 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.547 -7.987 9.981 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.264 -7.691 10.706 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.226 -9.991 8.942 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -4.214 -11.382 9.400 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.502 -9.443 11.261 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -6.081 -11.071 10.720 1.00 0.00 H new ATOM 713 N LEU A 45 -0.496 -3.014 7.870 1.00 0.00 N ATOM 714 CA LEU A 45 0.774 -2.364 7.569 1.00 0.00 C ATOM 715 C LEU A 45 0.855 -0.986 8.213 1.00 0.00 C ATOM 716 O LEU A 45 1.896 -0.598 8.744 1.00 0.00 O ATOM 717 CB LEU A 45 0.967 -2.255 6.052 1.00 0.00 C ATOM 718 CG LEU A 45 1.230 -3.583 5.329 1.00 0.00 C ATOM 719 CD1 LEU A 45 1.187 -3.375 3.822 1.00 0.00 C ATOM 720 CD2 LEU A 45 2.580 -4.138 5.760 1.00 0.00 C ATOM 0 H LEU A 45 -1.081 -3.194 7.054 1.00 0.00 H new ATOM 0 HA LEU A 45 1.574 -2.977 7.985 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.078 -1.795 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.801 -1.581 5.856 1.00 0.00 H new ATOM 0 HG LEU A 45 0.455 -4.302 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.375 -4.323 3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.205 -3.000 3.534 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.950 -2.653 3.532 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.766 -5.081 5.246 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.364 -3.425 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.577 -4.306 6.837 1.00 0.00 H new ATOM 732 N HIS A 46 -0.250 -0.249 8.164 1.00 0.00 N ATOM 733 CA HIS A 46 -0.320 1.069 8.784 1.00 0.00 C ATOM 734 C HIS A 46 -0.181 0.973 10.297 1.00 0.00 C ATOM 735 O HIS A 46 0.523 1.770 10.917 1.00 0.00 O ATOM 736 CB HIS A 46 -1.634 1.768 8.421 1.00 0.00 C ATOM 737 CG HIS A 46 -1.790 3.118 9.047 1.00 0.00 C ATOM 738 ND1 HIS A 46 -0.942 4.170 8.768 1.00 0.00 N ATOM 739 CD2 HIS A 46 -2.693 3.590 9.938 1.00 0.00 C ATOM 740 CE1 HIS A 46 -1.318 5.231 9.461 1.00 0.00 C ATOM 741 NE2 HIS A 46 -2.378 4.904 10.179 1.00 0.00 N ATOM 0 H HIS A 46 -1.110 -0.543 7.701 1.00 0.00 H new ATOM 0 HA HIS A 46 0.512 1.660 8.400 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.693 1.871 7.337 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -2.468 1.137 8.728 1.00 0.00 H new ATOM 0 HD1 HIS A 46 -0.149 4.135 8.127 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -3.509 3.036 10.377 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -0.840 6.200 9.443 1.00 0.00 H new ATOM 749 N GLN A 47 -0.857 -0.007 10.888 1.00 0.00 N ATOM 750 CA GLN A 47 -0.786 -0.227 12.327 1.00 0.00 C ATOM 751 C GLN A 47 0.618 -0.643 12.751 1.00 0.00 C ATOM 752 O GLN A 47 1.059 -0.333 13.858 1.00 0.00 O ATOM 753 CB GLN A 47 -1.793 -1.297 12.756 1.00 0.00 C ATOM 754 CG GLN A 47 -3.239 -0.832 12.746 1.00 0.00 C ATOM 755 CD GLN A 47 -4.208 -1.948 13.083 1.00 0.00 C ATOM 756 OE1 GLN A 47 -3.809 -3.101 13.273 1.00 0.00 O ATOM 757 NE2 GLN A 47 -5.492 -1.614 13.154 1.00 0.00 N ATOM 0 H GLN A 47 -1.461 -0.662 10.391 1.00 0.00 H new ATOM 0 HA GLN A 47 -1.032 0.714 12.819 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -1.695 -2.158 12.094 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.539 -1.637 13.760 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -3.361 -0.020 13.462 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -3.481 -0.429 11.763 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.778 -0.649 12.990 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.192 -2.323 13.373 1.00 0.00 H new ATOM 766 N ARG A 48 1.315 -1.346 11.865 1.00 0.00 N ATOM 767 CA ARG A 48 2.691 -1.754 12.123 1.00 0.00 C ATOM 768 C ARG A 48 3.650 -0.580 11.986 1.00 0.00 C ATOM 769 O ARG A 48 4.776 -0.624 12.481 1.00 0.00 O ATOM 770 CB ARG A 48 3.115 -2.924 11.247 1.00 0.00 C ATOM 771 CG ARG A 48 2.508 -4.265 11.632 1.00 0.00 C ATOM 772 CD ARG A 48 2.867 -5.383 10.723 1.00 0.00 C ATOM 773 NE ARG A 48 2.268 -6.661 11.074 1.00 0.00 N ATOM 774 CZ ARG A 48 2.288 -7.757 10.289 1.00 0.00 C ATOM 775 NH1 ARG A 48 2.840 -7.725 9.096 1.00 0.00 N ATOM 776 NH2 ARG A 48 1.715 -8.858 10.740 1.00 0.00 N ATOM 0 H ARG A 48 0.949 -1.645 10.961 1.00 0.00 H new ATOM 0 HA ARG A 48 2.734 -2.100 13.156 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.845 -2.702 10.214 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.201 -3.010 11.281 1.00 0.00 H new ATOM 0 HG2 ARG A 48 2.827 -4.518 12.643 1.00 0.00 H new ATOM 0 HG3 ARG A 48 1.423 -4.166 11.656 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.566 -5.121 9.709 1.00 0.00 H new ATOM 0 HD3 ARG A 48 3.951 -5.494 10.715 1.00 0.00 H new ATOM 0 HE ARG A 48 1.800 -6.733 11.977 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.261 -6.862 8.752 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.847 -8.563 8.515 1.00 0.00 H new ATOM 0 HH21 ARG A 48 1.273 -8.863 11.659 1.00 0.00 H new ATOM 0 HH22 ARG A 48 1.714 -9.703 10.169 1.00 0.00 H new ATOM 790 N GLY A 49 3.196 0.472 11.312 1.00 0.00 N ATOM 791 CA GLY A 49 3.991 1.684 11.160 1.00 0.00 C ATOM 792 C GLY A 49 4.851 1.626 9.904 1.00 0.00 C ATOM 793 O GLY A 49 5.896 2.272 9.825 1.00 0.00 O ATOM 0 H GLY A 49 2.281 0.509 10.862 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.332 2.551 11.113 1.00 0.00 H new ATOM 0 HA3 GLY A 49 4.628 1.816 12.034 1.00 0.00 H new ATOM 797 N VAL A 50 4.406 0.847 8.925 1.00 0.00 N ATOM 798 CA VAL A 50 5.137 0.697 7.672 1.00 0.00 C ATOM 799 C VAL A 50 4.708 1.745 6.654 1.00 0.00 C ATOM 800 O VAL A 50 5.543 2.363 5.995 1.00 0.00 O ATOM 801 CB VAL A 50 4.939 -0.705 7.066 1.00 0.00 C ATOM 802 CG1 VAL A 50 5.680 -0.823 5.742 1.00 0.00 C ATOM 803 CG2 VAL A 50 5.411 -1.777 8.036 1.00 0.00 C ATOM 0 H VAL A 50 3.541 0.309 8.975 1.00 0.00 H new ATOM 0 HA VAL A 50 6.192 0.835 7.907 1.00 0.00 H new ATOM 0 HB VAL A 50 3.875 -0.852 6.881 1.00 0.00 H new ATOM 0 HG11 VAL A 50 5.529 -1.820 5.328 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.298 -0.079 5.044 1.00 0.00 H new ATOM 0 HG13 VAL A 50 6.745 -0.655 5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.263 -2.761 7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 50 6.469 -1.632 8.252 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.839 -1.708 8.961 1.00 0.00 H new ATOM 813 N ILE A 51 3.400 1.941 6.532 1.00 0.00 N ATOM 814 CA ILE A 51 2.855 2.888 5.564 1.00 0.00 C ATOM 815 C ILE A 51 1.939 3.899 6.240 1.00 0.00 C ATOM 816 O ILE A 51 1.466 3.677 7.354 1.00 0.00 O ATOM 817 CB ILE A 51 2.074 2.168 4.448 1.00 0.00 C ATOM 818 CG1 ILE A 51 0.887 1.400 5.037 1.00 0.00 C ATOM 819 CG2 ILE A 51 2.990 1.228 3.679 1.00 0.00 C ATOM 820 CD1 ILE A 51 0.000 0.756 3.997 1.00 0.00 C ATOM 0 H ILE A 51 2.697 1.457 7.091 1.00 0.00 H new ATOM 0 HA ILE A 51 3.704 3.410 5.122 1.00 0.00 H new ATOM 0 HB ILE A 51 1.690 2.917 3.755 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.263 0.628 5.708 1.00 0.00 H new ATOM 0 HG13 ILE A 51 0.288 2.083 5.640 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.422 0.728 2.895 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.803 1.799 3.231 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.402 0.483 4.360 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -0.818 0.231 4.491 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -0.407 1.524 3.339 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.584 0.047 3.409 1.00 0.00 H new ATOM 832 N TYR A 52 1.695 5.014 5.559 1.00 0.00 N ATOM 833 CA TYR A 52 0.850 6.072 6.100 1.00 0.00 C ATOM 834 C TYR A 52 -0.310 6.385 5.162 1.00 0.00 C ATOM 835 O TYR A 52 -0.127 6.504 3.951 1.00 0.00 O ATOM 836 CB TYR A 52 1.672 7.336 6.356 1.00 0.00 C ATOM 837 CG TYR A 52 0.867 8.490 6.913 1.00 0.00 C ATOM 838 CD1 TYR A 52 0.431 8.486 8.229 1.00 0.00 C ATOM 839 CD2 TYR A 52 0.547 9.582 6.119 1.00 0.00 C ATOM 840 CE1 TYR A 52 -0.305 9.536 8.742 1.00 0.00 C ATOM 841 CE2 TYR A 52 -0.187 10.639 6.620 1.00 0.00 C ATOM 842 CZ TYR A 52 -0.612 10.611 7.933 1.00 0.00 C ATOM 843 OH TYR A 52 -1.343 11.662 8.439 1.00 0.00 O ATOM 0 H TYR A 52 2.071 5.208 4.631 1.00 0.00 H new ATOM 0 HA TYR A 52 0.439 5.718 7.046 1.00 0.00 H new ATOM 0 HB2 TYR A 52 2.477 7.099 7.051 1.00 0.00 H new ATOM 0 HB3 TYR A 52 2.139 7.649 5.422 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.671 7.647 8.865 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.878 9.606 5.091 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.638 9.516 9.769 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.427 11.482 5.989 1.00 0.00 H new ATOM 0 HH TYR A 52 -1.471 12.337 7.741 1.00 0.00 H new ATOM 853 N ARG A 53 -1.505 6.516 5.729 1.00 0.00 N ATOM 854 CA ARG A 53 -2.704 6.774 4.942 1.00 0.00 C ATOM 855 C ARG A 53 -2.922 8.268 4.744 1.00 0.00 C ATOM 856 O ARG A 53 -3.058 9.018 5.711 1.00 0.00 O ATOM 857 CB ARG A 53 -3.935 6.104 5.532 1.00 0.00 C ATOM 858 CG ARG A 53 -5.243 6.437 4.833 1.00 0.00 C ATOM 859 CD ARG A 53 -6.450 5.876 5.493 1.00 0.00 C ATOM 860 NE ARG A 53 -6.564 4.429 5.410 1.00 0.00 N ATOM 861 CZ ARG A 53 -7.381 3.680 6.175 1.00 0.00 C ATOM 862 NH1 ARG A 53 -8.129 4.231 7.107 1.00 0.00 N ATOM 863 NH2 ARG A 53 -7.395 2.373 5.983 1.00 0.00 N ATOM 0 H ARG A 53 -1.668 6.447 6.734 1.00 0.00 H new ATOM 0 HA ARG A 53 -2.544 6.327 3.961 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -3.791 5.024 5.505 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -4.018 6.389 6.581 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.345 7.521 4.776 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -5.198 6.067 3.809 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.443 6.168 6.543 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.336 6.324 5.043 1.00 0.00 H new ATOM 0 HE ARG A 53 -5.984 3.947 4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -8.095 5.239 7.258 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -8.743 3.650 7.678 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.797 1.956 5.270 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.004 1.781 6.548 1.00 0.00 H new ATOM 877 N LYS A 54 -2.957 8.695 3.487 1.00 0.00 N ATOM 878 CA LYS A 54 -3.406 10.040 3.144 1.00 0.00 C ATOM 879 C LYS A 54 -4.723 10.003 2.381 1.00 0.00 C ATOM 880 O LYS A 54 -5.144 8.950 1.900 1.00 0.00 O ATOM 881 CB LYS A 54 -2.341 10.767 2.323 1.00 0.00 C ATOM 882 CG LYS A 54 -1.030 11.005 3.062 1.00 0.00 C ATOM 883 CD LYS A 54 -0.040 11.769 2.197 1.00 0.00 C ATOM 884 CE LYS A 54 1.260 12.034 2.944 1.00 0.00 C ATOM 885 NZ LYS A 54 2.235 12.791 2.114 1.00 0.00 N ATOM 0 H LYS A 54 -2.679 8.128 2.686 1.00 0.00 H new ATOM 0 HA LYS A 54 -3.567 10.585 4.074 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.136 10.188 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -2.742 11.728 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -1.222 11.563 3.978 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.597 10.049 3.356 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.169 11.200 1.291 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.482 12.715 1.885 1.00 0.00 H new ATOM 0 HE2 LYS A 54 1.047 12.594 3.855 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.703 11.086 3.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.106 12.950 2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.458 12.246 1.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 1.823 13.707 1.844 1.00 0.00 H new ATOM 899 N TRP A 55 -5.371 11.158 2.271 1.00 0.00 N ATOM 900 CA TRP A 55 -6.663 11.252 1.606 1.00 0.00 C ATOM 901 C TRP A 55 -6.625 12.260 0.464 1.00 0.00 C ATOM 902 O TRP A 55 -6.170 13.390 0.638 1.00 0.00 O ATOM 903 CB TRP A 55 -7.753 11.637 2.608 1.00 0.00 C ATOM 904 CG TRP A 55 -8.061 10.556 3.602 1.00 0.00 C ATOM 905 CD1 TRP A 55 -7.511 10.407 4.840 1.00 0.00 C ATOM 906 CD2 TRP A 55 -8.989 9.476 3.441 1.00 0.00 C ATOM 907 NE1 TRP A 55 -8.037 9.302 5.461 1.00 0.00 N ATOM 908 CE2 TRP A 55 -8.950 8.713 4.621 1.00 0.00 C ATOM 909 CE3 TRP A 55 -9.851 9.082 2.410 1.00 0.00 C ATOM 910 CZ2 TRP A 55 -9.732 7.583 4.803 1.00 0.00 C ATOM 911 CZ3 TRP A 55 -10.636 7.950 2.593 1.00 0.00 C ATOM 912 CH2 TRP A 55 -10.578 7.222 3.755 1.00 0.00 C ATOM 0 H TRP A 55 -5.020 12.044 2.635 1.00 0.00 H new ATOM 0 HA TRP A 55 -6.894 10.272 1.188 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -7.443 12.534 3.143 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.663 11.889 2.064 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.769 11.063 5.270 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -7.790 8.972 6.394 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -9.905 9.647 1.491 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -9.688 7.008 5.716 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -11.305 7.637 1.805 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -11.203 6.348 3.860 1.00 0.00 H new ATOM 923 N ARG A 56 -7.106 11.845 -0.702 1.00 0.00 N ATOM 924 CA ARG A 56 -7.370 12.772 -1.797 1.00 0.00 C ATOM 925 C ARG A 56 -8.851 13.118 -1.880 1.00 0.00 C ATOM 926 O ARG A 56 -9.707 12.317 -1.502 1.00 0.00 O ATOM 927 CB ARG A 56 -6.842 12.255 -3.126 1.00 0.00 C ATOM 928 CG ARG A 56 -5.331 12.102 -3.199 1.00 0.00 C ATOM 929 CD ARG A 56 -4.814 11.768 -4.552 1.00 0.00 C ATOM 930 NE ARG A 56 -3.417 11.366 -4.579 1.00 0.00 N ATOM 931 CZ ARG A 56 -2.709 11.137 -5.703 1.00 0.00 C ATOM 932 NH1 ARG A 56 -3.271 11.234 -6.889 1.00 0.00 N ATOM 933 NH2 ARG A 56 -1.440 10.790 -5.582 1.00 0.00 N ATOM 0 H ARG A 56 -7.322 10.871 -0.914 1.00 0.00 H new ATOM 0 HA ARG A 56 -6.825 13.690 -1.579 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -7.301 11.288 -3.331 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -7.162 12.934 -3.916 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.867 13.030 -2.865 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.023 11.322 -2.502 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.419 10.964 -4.970 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.943 12.634 -5.201 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.939 11.249 -3.685 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.256 11.486 -6.967 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.721 11.058 -7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.021 10.702 -4.656 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.879 10.610 -6.415 1.00 0.00 H new ATOM 947 N HIS A 57 -9.146 14.313 -2.377 1.00 0.00 N ATOM 948 CA HIS A 57 -10.526 14.774 -2.494 1.00 0.00 C ATOM 949 C HIS A 57 -10.893 15.048 -3.946 1.00 0.00 C ATOM 950 O HIS A 57 -10.489 16.061 -4.519 1.00 0.00 O ATOM 951 CB HIS A 57 -10.747 16.034 -1.652 1.00 0.00 C ATOM 952 CG HIS A 57 -10.484 15.836 -0.191 1.00 0.00 C ATOM 953 ND1 HIS A 57 -11.331 15.118 0.627 1.00 0.00 N ATOM 954 CD2 HIS A 57 -9.469 16.261 0.598 1.00 0.00 C ATOM 955 CE1 HIS A 57 -10.848 15.110 1.857 1.00 0.00 C ATOM 956 NE2 HIS A 57 -9.719 15.797 1.866 1.00 0.00 N ATOM 0 H HIS A 57 -8.449 14.981 -2.706 1.00 0.00 H new ATOM 0 HA HIS A 57 -11.173 13.981 -2.120 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -10.099 16.827 -2.024 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -11.774 16.373 -1.784 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -8.621 16.854 0.288 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -11.299 14.625 2.710 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -9.129 15.957 2.683 1.00 0.00 H new ATOM 964 N PHE A 58 -11.662 14.141 -4.538 1.00 0.00 N ATOM 965 CA PHE A 58 -12.106 14.296 -5.918 1.00 0.00 C ATOM 966 C PHE A 58 -13.590 14.636 -5.984 1.00 0.00 C ATOM 967 O PHE A 58 -14.445 13.775 -5.776 1.00 0.00 O ATOM 968 CB PHE A 58 -11.823 13.022 -6.716 1.00 0.00 C ATOM 969 CG PHE A 58 -10.361 12.750 -6.924 1.00 0.00 C ATOM 970 CD1 PHE A 58 -9.688 13.282 -8.014 1.00 0.00 C ATOM 971 CD2 PHE A 58 -9.654 11.960 -6.030 1.00 0.00 C ATOM 972 CE1 PHE A 58 -8.345 13.032 -8.207 1.00 0.00 C ATOM 973 CE2 PHE A 58 -8.308 11.709 -6.220 1.00 0.00 C ATOM 974 CZ PHE A 58 -7.653 12.245 -7.308 1.00 0.00 C ATOM 0 H PHE A 58 -11.991 13.290 -4.083 1.00 0.00 H new ATOM 0 HA PHE A 58 -11.547 15.122 -6.358 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -12.271 12.173 -6.199 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -12.311 13.097 -7.688 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -10.222 13.900 -8.721 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -10.161 11.536 -5.176 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.835 13.452 -9.061 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.769 11.093 -5.516 1.00 0.00 H new ATOM 0 HZ PHE A 58 -6.601 12.050 -7.457 1.00 0.00 H new ATOM 984 N SER A 59 -13.890 15.898 -6.275 1.00 0.00 N ATOM 985 CA SER A 59 -15.270 16.362 -6.338 1.00 0.00 C ATOM 986 C SER A 59 -15.992 16.125 -5.017 1.00 0.00 C ATOM 987 O SER A 59 -17.192 15.848 -4.994 1.00 0.00 O ATOM 988 CB SER A 59 -16.003 15.670 -7.471 1.00 0.00 C ATOM 989 OG SER A 59 -15.409 15.921 -8.713 1.00 0.00 O ATOM 0 H SER A 59 -13.194 16.618 -6.471 1.00 0.00 H new ATOM 0 HA SER A 59 -15.258 17.436 -6.526 1.00 0.00 H new ATOM 0 HB2 SER A 59 -16.020 14.596 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 59 -17.040 16.007 -7.491 1.00 0.00 H new ATOM 0 HG SER A 59 -15.910 15.456 -9.415 1.00 0.00 H new ATOM 995 N GLY A 60 -15.254 16.237 -3.917 1.00 0.00 N ATOM 996 CA GLY A 60 -15.839 16.115 -2.586 1.00 0.00 C ATOM 997 C GLY A 60 -15.814 14.670 -2.105 1.00 0.00 C ATOM 998 O GLY A 60 -16.200 14.377 -0.973 1.00 0.00 O ATOM 0 H GLY A 60 -14.249 16.412 -3.921 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -15.290 16.744 -1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -16.867 16.478 -2.603 1.00 0.00 H new ATOM 1002 N ARG A 61 -15.360 13.770 -2.971 1.00 0.00 N ATOM 1003 CA ARG A 61 -15.294 12.353 -2.638 1.00 0.00 C ATOM 1004 C ARG A 61 -13.937 11.988 -2.049 1.00 0.00 C ATOM 1005 O ARG A 61 -12.901 12.467 -2.509 1.00 0.00 O ATOM 1006 CB ARG A 61 -15.642 11.468 -3.825 1.00 0.00 C ATOM 1007 CG ARG A 61 -17.066 11.615 -4.337 1.00 0.00 C ATOM 1008 CD ARG A 61 -17.402 10.729 -5.480 1.00 0.00 C ATOM 1009 NE ARG A 61 -18.717 10.956 -6.054 1.00 0.00 N ATOM 1010 CZ ARG A 61 -19.219 10.283 -7.108 1.00 0.00 C ATOM 1011 NH1 ARG A 61 -18.508 9.368 -7.730 1.00 0.00 N ATOM 1012 NH2 ARG A 61 -20.440 10.583 -7.517 1.00 0.00 N ATOM 0 H ARG A 61 -15.032 13.998 -3.910 1.00 0.00 H new ATOM 0 HA ARG A 61 -16.050 12.168 -1.875 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.953 11.691 -4.640 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -15.478 10.428 -3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -17.756 11.410 -3.519 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -17.226 12.651 -4.637 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -16.652 10.863 -6.259 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -17.338 9.692 -5.150 1.00 0.00 H new ATOM 0 HE ARG A 61 -19.302 11.676 -5.629 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -17.560 9.158 -7.416 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -18.904 8.868 -8.526 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.975 11.307 -7.037 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -20.847 10.091 -8.312 1.00 0.00 H new ATOM 1026 N LYS A 62 -13.949 11.136 -1.029 1.00 0.00 N ATOM 1027 CA LYS A 62 -12.727 10.754 -0.335 1.00 0.00 C ATOM 1028 C LYS A 62 -12.085 9.533 -0.983 1.00 0.00 C ATOM 1029 O LYS A 62 -12.730 8.500 -1.156 1.00 0.00 O ATOM 1030 CB LYS A 62 -13.012 10.477 1.141 1.00 0.00 C ATOM 1031 CG LYS A 62 -13.400 11.708 1.948 1.00 0.00 C ATOM 1032 CD LYS A 62 -13.667 11.355 3.404 1.00 0.00 C ATOM 1033 CE LYS A 62 -14.026 12.589 4.218 1.00 0.00 C ATOM 1034 NZ LYS A 62 -14.298 12.257 5.642 1.00 0.00 N ATOM 0 H LYS A 62 -14.794 10.697 -0.665 1.00 0.00 H new ATOM 0 HA LYS A 62 -12.028 11.587 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -13.815 9.743 1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -12.127 10.026 1.591 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.602 12.448 1.892 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -14.289 12.164 1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -14.480 10.631 3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.785 10.879 3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -13.210 13.310 4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -14.904 13.068 3.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.539 13.125 6.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -15.093 11.589 5.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.452 11.824 6.065 1.00 0.00 H new ATOM 1048 N TYR A 63 -10.811 9.659 -1.338 1.00 0.00 N ATOM 1049 CA TYR A 63 -10.094 8.585 -2.014 1.00 0.00 C ATOM 1050 C TYR A 63 -8.790 8.257 -1.299 1.00 0.00 C ATOM 1051 O TYR A 63 -7.997 9.148 -0.994 1.00 0.00 O ATOM 1052 CB TYR A 63 -9.813 8.963 -3.471 1.00 0.00 C ATOM 1053 CG TYR A 63 -9.008 7.929 -4.227 1.00 0.00 C ATOM 1054 CD1 TYR A 63 -9.476 6.632 -4.381 1.00 0.00 C ATOM 1055 CD2 TYR A 63 -7.782 8.256 -4.788 1.00 0.00 C ATOM 1056 CE1 TYR A 63 -8.743 5.685 -5.070 1.00 0.00 C ATOM 1057 CE2 TYR A 63 -7.042 7.316 -5.481 1.00 0.00 C ATOM 1058 CZ TYR A 63 -7.526 6.032 -5.619 1.00 0.00 C ATOM 1059 OH TYR A 63 -6.794 5.093 -6.309 1.00 0.00 O ATOM 0 H TYR A 63 -10.253 10.496 -1.168 1.00 0.00 H new ATOM 0 HA TYR A 63 -10.727 7.698 -1.993 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -10.761 9.118 -3.985 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -9.279 9.913 -3.493 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.430 6.358 -3.955 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -7.400 9.260 -4.682 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -9.121 4.679 -5.178 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -6.089 7.586 -5.912 1.00 0.00 H new ATOM 0 HH TYR A 63 -5.978 5.507 -6.659 1.00 0.00 H new ATOM 1069 N ARG A 64 -8.573 6.974 -1.033 1.00 0.00 N ATOM 1070 CA ARG A 64 -7.470 6.542 -0.183 1.00 0.00 C ATOM 1071 C ARG A 64 -6.150 6.560 -0.944 1.00 0.00 C ATOM 1072 O ARG A 64 -6.072 6.095 -2.082 1.00 0.00 O ATOM 1073 CB ARG A 64 -7.729 5.183 0.450 1.00 0.00 C ATOM 1074 CG ARG A 64 -8.845 5.162 1.482 1.00 0.00 C ATOM 1075 CD ARG A 64 -9.118 3.820 2.062 1.00 0.00 C ATOM 1076 NE ARG A 64 -10.189 3.795 3.043 1.00 0.00 N ATOM 1077 CZ ARG A 64 -11.488 3.587 2.753 1.00 0.00 C ATOM 1078 NH1 ARG A 64 -11.887 3.425 1.511 1.00 0.00 N ATOM 1079 NH2 ARG A 64 -12.357 3.575 3.750 1.00 0.00 N ATOM 0 H ARG A 64 -9.148 6.213 -1.395 1.00 0.00 H new ATOM 0 HA ARG A 64 -7.396 7.260 0.634 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -7.970 4.470 -0.339 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.810 4.837 0.923 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -8.590 5.849 2.289 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -9.758 5.538 1.020 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.367 3.132 1.254 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.206 3.447 2.529 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.940 3.946 4.021 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.209 3.456 0.749 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.874 3.268 1.309 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.037 3.721 4.707 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -13.347 3.420 3.561 1.00 0.00 H new ATOM 1093 N GLU A 65 -5.114 7.098 -0.310 1.00 0.00 N ATOM 1094 CA GLU A 65 -3.752 6.960 -0.812 1.00 0.00 C ATOM 1095 C GLU A 65 -2.806 6.492 0.287 1.00 0.00 C ATOM 1096 O GLU A 65 -2.945 6.881 1.446 1.00 0.00 O ATOM 1097 CB GLU A 65 -3.260 8.283 -1.399 1.00 0.00 C ATOM 1098 CG GLU A 65 -1.838 8.241 -1.939 1.00 0.00 C ATOM 1099 CD GLU A 65 -1.417 9.581 -2.477 1.00 0.00 C ATOM 1100 OE1 GLU A 65 -2.080 10.549 -2.190 1.00 0.00 O ATOM 1101 OE2 GLU A 65 -0.373 9.656 -3.081 1.00 0.00 O ATOM 0 H GLU A 65 -5.192 7.635 0.554 1.00 0.00 H new ATOM 0 HA GLU A 65 -3.762 6.206 -1.599 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.932 8.582 -2.203 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.321 9.053 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -1.155 7.934 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -1.768 7.492 -2.728 1.00 0.00 H new ATOM 1108 N TYR A 66 -1.845 5.654 -0.085 1.00 0.00 N ATOM 1109 CA TYR A 66 -0.915 5.078 0.881 1.00 0.00 C ATOM 1110 C TYR A 66 0.530 5.330 0.473 1.00 0.00 C ATOM 1111 O TYR A 66 0.947 4.970 -0.630 1.00 0.00 O ATOM 1112 CB TYR A 66 -1.163 3.575 1.030 1.00 0.00 C ATOM 1113 CG TYR A 66 -2.490 3.233 1.673 1.00 0.00 C ATOM 1114 CD1 TYR A 66 -3.635 3.084 0.907 1.00 0.00 C ATOM 1115 CD2 TYR A 66 -2.590 3.058 3.045 1.00 0.00 C ATOM 1116 CE1 TYR A 66 -4.849 2.773 1.488 1.00 0.00 C ATOM 1117 CE2 TYR A 66 -3.798 2.746 3.638 1.00 0.00 C ATOM 1118 CZ TYR A 66 -4.925 2.604 2.856 1.00 0.00 C ATOM 1119 OH TYR A 66 -6.132 2.293 3.442 1.00 0.00 O ATOM 0 H TYR A 66 -1.689 5.358 -1.049 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.088 5.564 1.841 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.117 3.110 0.045 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.359 3.141 1.625 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.577 3.213 -0.164 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.709 3.167 3.660 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -5.732 2.663 0.876 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.859 2.614 4.708 1.00 0.00 H new ATOM 0 HH TYR A 66 -6.679 1.779 2.812 1.00 0.00 H new ATOM 1129 N CYS A 67 1.292 5.950 1.367 1.00 0.00 N ATOM 1130 CA CYS A 67 2.697 6.241 1.104 1.00 0.00 C ATOM 1131 C CYS A 67 3.604 5.503 2.079 1.00 0.00 C ATOM 1132 O CYS A 67 3.261 5.326 3.248 1.00 0.00 O ATOM 1133 CB CYS A 67 2.777 7.751 1.333 1.00 0.00 C ATOM 1134 SG CYS A 67 1.631 8.723 0.326 1.00 0.00 S ATOM 0 H CYS A 67 0.961 6.261 2.280 1.00 0.00 H new ATOM 0 HA CYS A 67 3.020 5.931 0.110 1.00 0.00 H new ATOM 0 HB2 CYS A 67 2.581 7.957 2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 67 3.794 8.084 1.127 1.00 0.00 H new ATOM 0 HG CYS A 67 1.919 9.986 0.437 1.00 0.00 H new ATOM 1140 N LEU A 68 4.763 5.072 1.593 1.00 0.00 N ATOM 1141 CA LEU A 68 5.703 4.315 2.410 1.00 0.00 C ATOM 1142 C LEU A 68 6.383 5.208 3.439 1.00 0.00 C ATOM 1143 O LEU A 68 6.997 6.218 3.089 1.00 0.00 O ATOM 1144 CB LEU A 68 6.750 3.634 1.520 1.00 0.00 C ATOM 1145 CG LEU A 68 7.764 2.754 2.261 1.00 0.00 C ATOM 1146 CD1 LEU A 68 7.053 1.581 2.923 1.00 0.00 C ATOM 1147 CD2 LEU A 68 8.820 2.260 1.282 1.00 0.00 C ATOM 0 H LEU A 68 5.074 5.235 0.635 1.00 0.00 H new ATOM 0 HA LEU A 68 5.143 3.550 2.948 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.233 3.021 0.782 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.293 4.404 0.972 1.00 0.00 H new ATOM 0 HG LEU A 68 8.253 3.340 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.782 0.962 3.446 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.318 1.956 3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.550 0.984 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 68 9.541 1.635 1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 68 8.342 1.678 0.494 1.00 0.00 H new ATOM 0 HD23 LEU A 68 9.335 3.113 0.841 1.00 0.00 H new ATOM 1159 N LYS A 69 6.271 4.834 4.708 1.00 0.00 N ATOM 1160 CA LYS A 69 6.910 5.578 5.787 1.00 0.00 C ATOM 1161 C LYS A 69 8.189 4.891 6.248 1.00 0.00 C ATOM 1162 O LYS A 69 9.177 5.551 6.572 1.00 0.00 O ATOM 1163 CB LYS A 69 5.948 5.745 6.965 1.00 0.00 C ATOM 1164 CG LYS A 69 6.508 6.561 8.122 1.00 0.00 C ATOM 1165 CD LYS A 69 5.471 6.749 9.220 1.00 0.00 C ATOM 1166 CE LYS A 69 6.010 7.612 10.350 1.00 0.00 C ATOM 1167 NZ LYS A 69 5.001 7.816 11.425 1.00 0.00 N ATOM 0 H LYS A 69 5.742 4.018 5.016 1.00 0.00 H new ATOM 0 HA LYS A 69 7.173 6.563 5.402 1.00 0.00 H new ATOM 0 HB2 LYS A 69 5.035 6.222 6.608 1.00 0.00 H new ATOM 0 HB3 LYS A 69 5.669 4.758 7.334 1.00 0.00 H new ATOM 0 HG2 LYS A 69 7.386 6.061 8.530 1.00 0.00 H new ATOM 0 HG3 LYS A 69 6.836 7.535 7.758 1.00 0.00 H new ATOM 0 HD2 LYS A 69 4.576 7.211 8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 69 5.174 5.776 9.613 1.00 0.00 H new ATOM 0 HE2 LYS A 69 6.899 7.144 10.772 1.00 0.00 H new ATOM 0 HE3 LYS A 69 6.317 8.579 9.953 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 5.409 8.409 12.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 4.162 8.286 11.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 4.726 6.895 11.823 1.00 0.00 H new ATOM 1181 N HIS A 70 8.165 3.563 6.276 1.00 0.00 N ATOM 1182 CA HIS A 70 9.325 2.785 6.689 1.00 0.00 C ATOM 1183 C HIS A 70 10.561 3.171 5.887 1.00 0.00 C ATOM 1184 O HIS A 70 10.515 3.261 4.661 1.00 0.00 O ATOM 1185 CB HIS A 70 9.051 1.284 6.539 1.00 0.00 C ATOM 1186 CG HIS A 70 10.180 0.417 7.004 1.00 0.00 C ATOM 1187 ND1 HIS A 70 10.549 0.324 8.329 1.00 0.00 N ATOM 1188 CD2 HIS A 70 11.022 -0.394 6.321 1.00 0.00 C ATOM 1189 CE1 HIS A 70 11.569 -0.510 8.441 1.00 0.00 C ATOM 1190 NE2 HIS A 70 11.874 -0.957 7.237 1.00 0.00 N ATOM 0 H HIS A 70 7.353 3.003 6.017 1.00 0.00 H new ATOM 0 HA HIS A 70 9.514 3.006 7.739 1.00 0.00 H new ATOM 0 HB2 HIS A 70 8.153 1.029 7.102 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.843 1.064 5.492 1.00 0.00 H new ATOM 0 HD1 HIS A 70 10.105 0.820 9.102 1.00 0.00 H new ATOM 0 HD2 HIS A 70 11.023 -0.566 5.255 1.00 0.00 H new ATOM 0 HE1 HIS A 70 12.067 -0.779 9.360 1.00 0.00 H new ATOM 1198 N ARG A 71 11.666 3.400 6.588 1.00 0.00 N ATOM 1199 CA ARG A 71 12.902 3.833 5.948 1.00 0.00 C ATOM 1200 C ARG A 71 13.190 3.018 4.694 1.00 0.00 C ATOM 1201 O ARG A 71 13.191 1.788 4.729 1.00 0.00 O ATOM 1202 CB ARG A 71 14.083 3.813 6.908 1.00 0.00 C ATOM 1203 CG ARG A 71 15.367 4.417 6.357 1.00 0.00 C ATOM 1204 CD ARG A 71 16.499 4.429 7.318 1.00 0.00 C ATOM 1205 NE ARG A 71 17.743 4.951 6.775 1.00 0.00 N ATOM 1206 CZ ARG A 71 18.083 6.255 6.758 1.00 0.00 C ATOM 1207 NH1 ARG A 71 17.262 7.174 7.215 1.00 0.00 N ATOM 1208 NH2 ARG A 71 19.255 6.588 6.246 1.00 0.00 N ATOM 0 H ARG A 71 11.731 3.293 7.600 1.00 0.00 H new ATOM 0 HA ARG A 71 12.758 4.870 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 71 13.805 4.351 7.814 1.00 0.00 H new ATOM 0 HB3 ARG A 71 14.279 2.781 7.198 1.00 0.00 H new ATOM 0 HG2 ARG A 71 15.665 3.859 5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 71 15.166 5.440 6.038 1.00 0.00 H new ATOM 0 HD2 ARG A 71 16.217 5.026 8.185 1.00 0.00 H new ATOM 0 HD3 ARG A 71 16.670 3.412 7.672 1.00 0.00 H new ATOM 0 HE ARG A 71 18.405 4.283 6.379 1.00 0.00 H new ATOM 0 HH11 ARG A 71 16.352 6.904 7.590 1.00 0.00 H new ATOM 0 HH12 ARG A 71 17.534 8.157 7.195 1.00 0.00 H new ATOM 0 HH21 ARG A 71 19.874 5.866 5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 71 19.540 7.567 6.219 1.00 0.00 H new ATOM 1222 N ASP A 72 13.435 3.711 3.587 1.00 0.00 N ATOM 1223 CA ASP A 72 13.691 3.052 2.312 1.00 0.00 C ATOM 1224 C ASP A 72 14.922 2.158 2.393 1.00 0.00 C ATOM 1225 O ASP A 72 14.941 1.061 1.834 1.00 0.00 O ATOM 1226 CB ASP A 72 13.865 4.088 1.198 1.00 0.00 C ATOM 1227 CG ASP A 72 12.579 4.793 0.789 1.00 0.00 C ATOM 1228 OD1 ASP A 72 11.529 4.353 1.193 1.00 0.00 O ATOM 1229 OD2 ASP A 72 12.664 5.851 0.212 1.00 0.00 O ATOM 0 H ASP A 72 13.462 4.730 3.547 1.00 0.00 H new ATOM 0 HA ASP A 72 12.829 2.426 2.081 1.00 0.00 H new ATOM 0 HB2 ASP A 72 14.587 4.836 1.524 1.00 0.00 H new ATOM 0 HB3 ASP A 72 14.289 3.595 0.323 1.00 0.00 H new ATOM 1234 N GLU A 73 15.949 2.635 3.088 1.00 0.00 N ATOM 1235 CA GLU A 73 17.156 1.849 3.307 1.00 0.00 C ATOM 1236 C GLU A 73 16.838 0.530 4.000 1.00 0.00 C ATOM 1237 O GLU A 73 17.287 -0.533 3.571 1.00 0.00 O ATOM 1238 CB GLU A 73 18.172 2.643 4.132 1.00 0.00 C ATOM 1239 CG GLU A 73 19.481 1.913 4.390 1.00 0.00 C ATOM 1240 CD GLU A 73 20.444 2.774 5.160 1.00 0.00 C ATOM 1241 OE1 GLU A 73 20.103 3.894 5.457 1.00 0.00 O ATOM 1242 OE2 GLU A 73 21.473 2.276 5.551 1.00 0.00 O ATOM 0 H GLU A 73 15.969 3.564 3.510 1.00 0.00 H new ATOM 0 HA GLU A 73 17.588 1.626 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.388 3.579 3.617 1.00 0.00 H new ATOM 0 HB3 GLU A 73 17.720 2.903 5.089 1.00 0.00 H new ATOM 0 HG2 GLU A 73 19.285 0.996 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 73 19.930 1.621 3.441 1.00 0.00 H new ATOM 1249 N LEU A 74 16.058 0.605 5.074 1.00 0.00 N ATOM 1250 CA LEU A 74 15.698 -0.579 5.843 1.00 0.00 C ATOM 1251 C LEU A 74 14.800 -1.508 5.037 1.00 0.00 C ATOM 1252 O LEU A 74 14.889 -2.731 5.154 1.00 0.00 O ATOM 1253 CB LEU A 74 15.009 -0.173 7.152 1.00 0.00 C ATOM 1254 CG LEU A 74 15.910 0.531 8.174 1.00 0.00 C ATOM 1255 CD1 LEU A 74 15.083 1.006 9.361 1.00 0.00 C ATOM 1256 CD2 LEU A 74 17.006 -0.422 8.627 1.00 0.00 C ATOM 0 H LEU A 74 15.663 1.475 5.431 1.00 0.00 H new ATOM 0 HA LEU A 74 16.614 -1.120 6.079 1.00 0.00 H new ATOM 0 HB2 LEU A 74 14.173 0.485 6.915 1.00 0.00 H new ATOM 0 HB3 LEU A 74 14.590 -1.066 7.615 1.00 0.00 H new ATOM 0 HG LEU A 74 16.372 1.403 7.711 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.732 1.504 10.081 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.320 1.704 9.017 1.00 0.00 H new ATOM 0 HD13 LEU A 74 14.604 0.150 9.837 1.00 0.00 H new ATOM 0 HD21 LEU A 74 17.646 0.079 9.353 1.00 0.00 H new ATOM 0 HD22 LEU A 74 16.556 -1.302 9.086 1.00 0.00 H new ATOM 0 HD23 LEU A 74 17.602 -0.726 7.767 1.00 0.00 H new ATOM 1268 N ALA A 75 13.933 -0.921 4.219 1.00 0.00 N ATOM 1269 CA ALA A 75 13.066 -1.696 3.339 1.00 0.00 C ATOM 1270 C ALA A 75 13.878 -2.528 2.357 1.00 0.00 C ATOM 1271 O ALA A 75 13.596 -3.707 2.145 1.00 0.00 O ATOM 1272 CB ALA A 75 12.109 -0.774 2.594 1.00 0.00 C ATOM 0 H ALA A 75 13.812 0.089 4.147 1.00 0.00 H new ATOM 0 HA ALA A 75 12.485 -2.382 3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 75 11.468 -1.366 1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 75 11.494 -0.231 3.312 1.00 0.00 H new ATOM 0 HB3 ALA A 75 12.680 -0.064 1.996 1.00 0.00 H new ATOM 1278 N ASP A 76 14.891 -1.908 1.759 1.00 0.00 N ATOM 1279 CA ASP A 76 15.756 -2.595 0.808 1.00 0.00 C ATOM 1280 C ASP A 76 16.554 -3.701 1.488 1.00 0.00 C ATOM 1281 O ASP A 76 16.808 -4.749 0.895 1.00 0.00 O ATOM 1282 CB ASP A 76 16.705 -1.603 0.132 1.00 0.00 C ATOM 1283 CG ASP A 76 16.040 -0.693 -0.892 1.00 0.00 C ATOM 1284 OD1 ASP A 76 14.922 -0.965 -1.260 1.00 0.00 O ATOM 1285 OD2 ASP A 76 16.584 0.346 -1.176 1.00 0.00 O ATOM 0 H ASP A 76 15.132 -0.930 1.917 1.00 0.00 H new ATOM 0 HA ASP A 76 15.120 -3.050 0.049 1.00 0.00 H new ATOM 0 HB2 ASP A 76 17.172 -0.986 0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 76 17.503 -2.160 -0.359 1.00 0.00 H new ATOM 1290 N LEU A 77 16.945 -3.460 2.735 1.00 0.00 N ATOM 1291 CA LEU A 77 17.649 -4.465 3.525 1.00 0.00 C ATOM 1292 C LEU A 77 16.737 -5.638 3.860 1.00 0.00 C ATOM 1293 O LEU A 77 17.181 -6.785 3.911 1.00 0.00 O ATOM 1294 CB LEU A 77 18.205 -3.835 4.807 1.00 0.00 C ATOM 1295 CG LEU A 77 19.363 -2.850 4.603 1.00 0.00 C ATOM 1296 CD1 LEU A 77 19.680 -2.139 5.911 1.00 0.00 C ATOM 1297 CD2 LEU A 77 20.582 -3.600 4.088 1.00 0.00 C ATOM 0 H LEU A 77 16.786 -2.577 3.221 1.00 0.00 H new ATOM 0 HA LEU A 77 18.479 -4.846 2.930 1.00 0.00 H new ATOM 0 HB2 LEU A 77 17.394 -3.316 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 77 18.541 -4.633 5.469 1.00 0.00 H new ATOM 0 HG LEU A 77 19.076 -2.098 3.868 1.00 0.00 H new ATOM 0 HD11 LEU A 77 20.503 -1.442 5.756 1.00 0.00 H new ATOM 0 HD12 LEU A 77 18.800 -1.592 6.250 1.00 0.00 H new ATOM 0 HD13 LEU A 77 19.964 -2.873 6.665 1.00 0.00 H new ATOM 0 HD21 LEU A 77 21.405 -2.900 3.943 1.00 0.00 H new ATOM 0 HD22 LEU A 77 20.875 -4.360 4.813 1.00 0.00 H new ATOM 0 HD23 LEU A 77 20.341 -4.078 3.139 1.00 0.00 H new ATOM 1309 N GLU A 78 15.463 -5.344 4.090 1.00 0.00 N ATOM 1310 CA GLU A 78 14.476 -6.381 4.367 1.00 0.00 C ATOM 1311 C GLU A 78 14.122 -7.157 3.106 1.00 0.00 C ATOM 1312 O GLU A 78 13.784 -8.340 3.168 1.00 0.00 O ATOM 1313 CB GLU A 78 13.213 -5.769 4.979 1.00 0.00 C ATOM 1314 CG GLU A 78 13.376 -5.297 6.417 1.00 0.00 C ATOM 1315 CD GLU A 78 12.141 -4.591 6.904 1.00 0.00 C ATOM 1316 OE1 GLU A 78 11.226 -4.434 6.131 1.00 0.00 O ATOM 1317 OE2 GLU A 78 12.065 -4.308 8.075 1.00 0.00 O ATOM 0 H GLU A 78 15.089 -4.395 4.090 1.00 0.00 H new ATOM 0 HA GLU A 78 14.916 -7.076 5.082 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.899 -4.924 4.366 1.00 0.00 H new ATOM 0 HB3 GLU A 78 12.411 -6.506 4.940 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.587 -6.151 7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.232 -4.626 6.487 1.00 0.00 H new ATOM 1324 N HIS A 79 14.202 -6.488 1.962 1.00 0.00 N ATOM 1325 CA HIS A 79 13.926 -7.123 0.680 1.00 0.00 C ATOM 1326 C HIS A 79 14.954 -8.203 0.367 1.00 0.00 C ATOM 1327 O HIS A 79 14.857 -9.287 0.870 1.00 0.00 O ATOM 1328 CB HIS A 79 13.899 -6.083 -0.445 1.00 0.00 C ATOM 1329 CG HIS A 79 12.773 -5.104 -0.334 1.00 0.00 C ATOM 1330 ND1 HIS A 79 12.767 -3.898 -1.002 1.00 0.00 N ATOM 1331 CD2 HIS A 79 11.616 -5.151 0.368 1.00 0.00 C ATOM 1332 CE1 HIS A 79 11.653 -3.246 -0.716 1.00 0.00 C ATOM 1333 NE2 HIS A 79 10.940 -3.985 0.114 1.00 0.00 N ATOM 0 H HIS A 79 14.457 -5.502 1.897 1.00 0.00 H new ATOM 0 HA HIS A 79 12.945 -7.593 0.749 1.00 0.00 H new ATOM 0 HB2 HIS A 79 14.843 -5.538 -0.447 1.00 0.00 H new ATOM 0 HB3 HIS A 79 13.827 -6.599 -1.403 1.00 0.00 H new ATOM 0 HD1 HIS A 79 13.506 -3.562 -1.620 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.287 -5.956 1.008 1.00 0.00 H new ATOM 0 HE1 HIS A 79 11.374 -2.275 -1.096 1.00 0.00 H new TER 1341 HIS A 79