USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 689 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 SER OG : rot 180:sc= -0.0422 USER MOD Set 1.2: A 31 GLN : amide:sc= -2.29! C(o=-2.3!,f=-3.7!) USER MOD Set 2.1: A 22 HIS : no HD1:sc= -2.31 K(o=-4.4,f=-3.6) USER MOD Set 2.2: A 59 SER OG : rot -178:sc= -2.07! USER MOD Single : A 25 GLN : amide:sc= 0.0606 K(o=0.061,f=-4.6!) USER MOD Single : A 27 SER OG : rot 180:sc= -0.372 USER MOD Single : A 39 LYS NZ :NH3+ -164:sc= -0.0995! (180deg=-0.717!) USER MOD Single : A 41 TYR OH : rot 73:sc= 0.965 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -3.84! K(o=-3.8!,f=-0.71) USER MOD Single : A 62 GLN : amide:sc= -0.97 K(o=-0.97,f=-0.45) USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= 1.76 (180deg=0.923!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= 0.478 K(o=0.48,f=-1.1) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.86) USER MOD Single : A 80 ASN : amide:sc= -1.56! K(o=-1.6!,f=-0.4) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.0878 USER MOD Single : A 86 GLN : amide:sc= -2.04 K(o=-2,f=-0.83) USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.41 USER MOD Single : A 93 ASN : amide:sc= -0.232 X(o=-0.23,f=0) USER MOD Single : A 96 SER OG : rot 141:sc= 1.14 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 2.628 -12.052 -1.347 1.00 0.00 N ATOM 2 CA GLY A 15 3.373 -12.459 -2.524 1.00 0.00 C ATOM 3 C GLY A 15 4.726 -11.809 -2.564 1.00 0.00 C ATOM 4 O GLY A 15 5.370 -11.799 -3.598 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.488 -13.543 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 15 2.813 -12.194 -3.421 1.00 0.00 H new ATOM 8 N LEU A 16 5.185 -11.284 -1.430 1.00 0.00 N ATOM 9 CA LEU A 16 6.420 -10.544 -1.377 1.00 0.00 C ATOM 10 C LEU A 16 6.987 -10.501 0.022 1.00 0.00 C ATOM 11 O LEU A 16 6.442 -11.126 0.931 1.00 0.00 O ATOM 12 CB LEU A 16 6.282 -9.104 -1.953 1.00 0.00 C ATOM 13 CG LEU A 16 5.063 -8.205 -1.585 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.607 -8.356 -0.153 1.00 0.00 C ATOM 15 CD2 LEU A 16 5.455 -6.757 -1.803 1.00 0.00 C ATOM 0 H LEU A 16 4.706 -11.365 -0.533 1.00 0.00 H new ATOM 0 HA LEU A 16 7.120 -11.084 -2.015 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.180 -8.558 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.297 -9.192 -3.039 1.00 0.00 H new ATOM 0 HG LEU A 16 4.235 -8.517 -2.222 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.756 -7.700 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.313 -9.390 0.028 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.422 -8.087 0.519 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.614 -6.111 -1.551 1.00 0.00 H new ATOM 0 HD22 LEU A 16 6.306 -6.511 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.727 -6.607 -2.848 1.00 0.00 H new ATOM 27 N ARG A 17 8.050 -9.726 0.194 1.00 0.00 N ATOM 28 CA ARG A 17 8.685 -9.580 1.488 1.00 0.00 C ATOM 29 C ARG A 17 7.893 -8.607 2.330 1.00 0.00 C ATOM 30 O ARG A 17 7.632 -8.877 3.507 1.00 0.00 O ATOM 31 CB ARG A 17 10.116 -9.022 1.400 1.00 0.00 C ATOM 32 CG ARG A 17 11.118 -9.782 0.561 1.00 0.00 C ATOM 33 CD ARG A 17 12.444 -9.039 0.599 1.00 0.00 C ATOM 34 NE ARG A 17 13.457 -9.554 -0.331 1.00 0.00 N ATOM 35 CZ ARG A 17 14.539 -8.855 -0.714 1.00 0.00 C ATOM 36 NH1 ARG A 17 14.802 -7.678 -0.141 1.00 0.00 N ATOM 37 NH2 ARG A 17 15.366 -9.338 -1.640 1.00 0.00 N ATOM 0 H ARG A 17 8.489 -9.188 -0.553 1.00 0.00 H new ATOM 0 HA ARG A 17 8.721 -10.579 1.922 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.056 -8.006 1.011 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.512 -8.953 2.413 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.241 -10.795 0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.763 -9.870 -0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.264 -7.988 0.374 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.843 -9.084 1.612 1.00 0.00 H new ATOM 0 HE ARG A 17 13.333 -10.494 -0.707 1.00 0.00 H new ATOM 0 HH11 ARG A 17 14.183 -7.314 0.583 1.00 0.00 H new ATOM 0 HH12 ARG A 17 15.622 -7.143 -0.428 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.181 -10.246 -2.065 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.184 -8.799 -1.924 1.00 0.00 H new ATOM 51 N GLU A 18 7.495 -7.458 1.733 1.00 0.00 N ATOM 52 CA GLU A 18 6.832 -6.410 2.560 1.00 0.00 C ATOM 53 C GLU A 18 6.095 -5.321 1.782 1.00 0.00 C ATOM 54 O GLU A 18 6.472 -4.990 0.651 1.00 0.00 O ATOM 55 CB GLU A 18 7.878 -5.701 3.430 1.00 0.00 C ATOM 56 CG GLU A 18 9.043 -5.082 2.673 1.00 0.00 C ATOM 57 CD GLU A 18 10.156 -4.628 3.561 1.00 0.00 C ATOM 58 OE1 GLU A 18 10.774 -5.477 4.257 1.00 0.00 O ATOM 59 OE2 GLU A 18 10.452 -3.418 3.582 1.00 0.00 O ATOM 0 H GLU A 18 7.609 -7.236 0.744 1.00 0.00 H new ATOM 0 HA GLU A 18 6.085 -6.957 3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 18 7.380 -4.917 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.274 -6.418 4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.431 -5.810 1.960 1.00 0.00 H new ATOM 0 HG3 GLU A 18 8.680 -4.232 2.095 1.00 0.00 H new ATOM 66 N ILE A 19 5.033 -4.778 2.412 1.00 0.00 N ATOM 67 CA ILE A 19 4.385 -3.546 1.969 1.00 0.00 C ATOM 68 C ILE A 19 4.360 -2.578 3.137 1.00 0.00 C ATOM 69 O ILE A 19 3.944 -2.920 4.250 1.00 0.00 O ATOM 70 CB ILE A 19 2.929 -3.763 1.436 1.00 0.00 C ATOM 71 CG1 ILE A 19 2.940 -4.425 0.077 1.00 0.00 C ATOM 72 CG2 ILE A 19 2.105 -2.462 1.404 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.436 -3.541 -1.035 1.00 0.00 C ATOM 0 H ILE A 19 4.607 -5.189 3.243 1.00 0.00 H new ATOM 0 HA ILE A 19 4.960 -3.153 1.131 1.00 0.00 H new ATOM 0 HB ILE A 19 2.437 -4.430 2.144 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.566 -5.316 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.930 -4.757 -0.161 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.105 -2.674 1.026 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.033 -2.052 2.411 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.593 -1.738 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.412 -4.091 -1.976 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.797 -2.661 -1.113 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.459 -3.229 -0.823 1.00 0.00 H new ATOM 85 N ARG A 20 4.833 -1.409 2.902 1.00 0.00 N ATOM 86 CA ARG A 20 4.842 -0.381 3.889 1.00 0.00 C ATOM 87 C ARG A 20 4.209 0.860 3.332 1.00 0.00 C ATOM 88 O ARG A 20 4.797 1.549 2.507 1.00 0.00 O ATOM 89 CB ARG A 20 6.265 -0.097 4.395 1.00 0.00 C ATOM 90 CG ARG A 20 6.798 -1.127 5.377 1.00 0.00 C ATOM 91 CD ARG A 20 8.241 -0.847 5.769 1.00 0.00 C ATOM 92 NE ARG A 20 8.610 -1.544 7.013 1.00 0.00 N ATOM 93 CZ ARG A 20 9.679 -2.339 7.195 1.00 0.00 C ATOM 94 NH1 ARG A 20 10.436 -2.691 6.179 1.00 0.00 N ATOM 95 NH2 ARG A 20 9.938 -2.834 8.402 1.00 0.00 N ATOM 0 H ARG A 20 5.232 -1.130 2.006 1.00 0.00 H new ATOM 0 HA ARG A 20 4.261 -0.720 4.747 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.938 -0.046 3.539 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.280 0.883 4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.174 -1.133 6.271 1.00 0.00 H new ATOM 0 HG3 ARG A 20 6.729 -2.120 4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.905 -1.162 4.964 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.382 0.226 5.897 1.00 0.00 H new ATOM 0 HE ARG A 20 7.994 -1.410 7.815 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.215 -2.360 5.240 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.244 -3.295 6.330 1.00 0.00 H new ATOM 0 HH21 ARG A 20 9.326 -2.610 9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.748 -3.437 8.543 1.00 0.00 H new ATOM 109 N ILE A 21 3.009 1.145 3.738 1.00 0.00 N ATOM 110 CA ILE A 21 2.363 2.331 3.253 1.00 0.00 C ATOM 111 C ILE A 21 3.018 3.461 3.921 1.00 0.00 C ATOM 112 O ILE A 21 3.169 3.452 5.125 1.00 0.00 O ATOM 113 CB ILE A 21 0.916 2.508 3.669 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.275 1.259 4.248 1.00 0.00 C ATOM 115 CG2 ILE A 21 0.101 3.063 2.499 1.00 0.00 C ATOM 116 CD1 ILE A 21 -1.050 1.572 4.901 1.00 0.00 C ATOM 0 H ILE A 21 2.463 0.585 4.393 1.00 0.00 H new ATOM 0 HA ILE A 21 2.422 2.269 2.166 1.00 0.00 H new ATOM 0 HB ILE A 21 0.916 3.226 4.489 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.128 0.524 3.457 1.00 0.00 H new ATOM 0 HG13 ILE A 21 0.946 0.810 4.980 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -0.938 3.187 2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.508 4.028 2.197 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.151 2.370 1.660 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.482 0.656 5.305 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.898 2.288 5.708 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.728 1.998 4.162 1.00 0.00 H new ATOM 128 N HIS A 22 3.400 4.406 3.203 1.00 0.00 N ATOM 129 CA HIS A 22 3.915 5.552 3.820 1.00 0.00 C ATOM 130 C HIS A 22 2.796 6.533 3.800 1.00 0.00 C ATOM 131 O HIS A 22 2.348 6.939 2.722 1.00 0.00 O ATOM 132 CB HIS A 22 5.124 6.117 3.054 1.00 0.00 C ATOM 133 CG HIS A 22 6.299 5.186 2.899 1.00 0.00 C ATOM 134 ND1 HIS A 22 7.234 5.316 1.895 1.00 0.00 N ATOM 135 CD2 HIS A 22 6.704 4.134 3.639 1.00 0.00 C ATOM 136 CE1 HIS A 22 8.148 4.387 2.031 1.00 0.00 C ATOM 137 NE2 HIS A 22 7.849 3.661 3.078 1.00 0.00 N ATOM 0 H HIS A 22 3.372 4.424 2.184 1.00 0.00 H new ATOM 0 HA HIS A 22 4.269 5.332 4.827 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.791 6.419 2.061 1.00 0.00 H new ATOM 0 HB3 HIS A 22 5.464 7.018 3.564 1.00 0.00 H new ATOM 0 HD2 HIS A 22 6.210 3.740 4.515 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.004 4.244 1.388 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.389 2.866 3.419 1.00 0.00 H new ATOM 146 N LEU A 23 2.366 6.923 4.949 1.00 0.00 N ATOM 147 CA LEU A 23 1.302 7.857 5.087 1.00 0.00 C ATOM 148 C LEU A 23 1.968 9.191 5.482 1.00 0.00 C ATOM 149 O LEU A 23 3.182 9.380 5.177 1.00 0.00 O ATOM 150 CB LEU A 23 0.351 7.351 6.199 1.00 0.00 C ATOM 151 CG LEU A 23 -1.027 8.031 6.287 1.00 0.00 C ATOM 152 CD1 LEU A 23 -1.785 7.893 4.972 1.00 0.00 C ATOM 153 CD2 LEU A 23 -1.837 7.434 7.420 1.00 0.00 C ATOM 0 H LEU A 23 2.750 6.596 5.836 1.00 0.00 H new ATOM 0 HA LEU A 23 0.715 7.980 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.195 6.282 6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.853 7.473 7.159 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.871 9.092 6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.756 8.381 5.059 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.213 8.362 4.171 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.929 6.837 4.744 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -2.809 7.925 7.470 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.977 6.367 7.244 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.308 7.580 8.362 1.00 0.00 H new ATOM 165 N CYS A 24 1.234 10.084 6.141 1.00 0.00 N ATOM 166 CA CYS A 24 1.761 11.355 6.652 1.00 0.00 C ATOM 167 C CYS A 24 1.997 12.394 5.570 1.00 0.00 C ATOM 168 O CYS A 24 2.286 12.056 4.397 1.00 0.00 O ATOM 169 CB CYS A 24 3.000 11.139 7.559 1.00 0.00 C ATOM 170 SG CYS A 24 4.008 12.625 7.961 1.00 0.00 S ATOM 0 H CYS A 24 0.243 9.947 6.340 1.00 0.00 H new ATOM 0 HA CYS A 24 0.976 11.778 7.279 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.662 10.695 8.495 1.00 0.00 H new ATOM 0 HB3 CYS A 24 3.650 10.409 7.077 1.00 0.00 H new ATOM 175 N GLN A 25 1.883 13.647 6.007 1.00 0.00 N ATOM 176 CA GLN A 25 1.990 14.869 5.243 1.00 0.00 C ATOM 177 C GLN A 25 0.604 15.285 4.802 1.00 0.00 C ATOM 178 O GLN A 25 -0.270 14.458 4.626 1.00 0.00 O ATOM 179 CB GLN A 25 3.016 14.801 4.079 1.00 0.00 C ATOM 180 CG GLN A 25 3.262 16.118 3.375 1.00 0.00 C ATOM 181 CD GLN A 25 3.830 17.165 4.298 1.00 0.00 C ATOM 182 OE1 GLN A 25 3.090 17.911 4.947 1.00 0.00 O ATOM 183 NE2 GLN A 25 5.129 17.235 4.364 1.00 0.00 N ATOM 0 H GLN A 25 1.697 13.839 6.991 1.00 0.00 H new ATOM 0 HA GLN A 25 2.405 15.643 5.888 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.964 14.431 4.469 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.667 14.073 3.347 1.00 0.00 H new ATOM 0 HG2 GLN A 25 3.949 15.960 2.543 1.00 0.00 H new ATOM 0 HG3 GLN A 25 2.326 16.481 2.951 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.703 16.599 3.810 1.00 0.00 H new ATOM 0 HE22 GLN A 25 5.572 17.926 4.969 1.00 0.00 H new ATOM 192 N ARG A 26 0.382 16.550 4.709 1.00 0.00 N ATOM 193 CA ARG A 26 -0.900 17.054 4.305 1.00 0.00 C ATOM 194 C ARG A 26 -0.847 17.668 2.935 1.00 0.00 C ATOM 195 O ARG A 26 -0.969 18.875 2.745 1.00 0.00 O ATOM 196 CB ARG A 26 -1.553 17.933 5.387 1.00 0.00 C ATOM 197 CG ARG A 26 -0.569 18.700 6.266 1.00 0.00 C ATOM 198 CD ARG A 26 0.214 19.765 5.514 1.00 0.00 C ATOM 199 NE ARG A 26 1.240 20.373 6.373 1.00 0.00 N ATOM 200 CZ ARG A 26 0.994 21.197 7.408 1.00 0.00 C ATOM 201 NH1 ARG A 26 -0.248 21.606 7.673 1.00 0.00 N ATOM 202 NH2 ARG A 26 2.002 21.628 8.145 1.00 0.00 N ATOM 0 H ARG A 26 1.077 17.269 4.909 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.579 16.207 4.208 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.219 18.647 4.902 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.172 17.301 6.024 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.115 19.171 7.083 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.131 17.995 6.715 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.686 19.322 4.637 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -0.468 20.536 5.155 1.00 0.00 H new ATOM 0 HE ARG A 26 2.215 20.153 6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -1.023 21.294 7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -0.422 22.231 8.460 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.955 21.336 7.927 1.00 0.00 H new ATOM 0 HH22 ARG A 26 1.828 22.253 8.932 1.00 0.00 H new ATOM 216 N SER A 27 -0.573 16.819 2.008 1.00 0.00 N ATOM 217 CA SER A 27 -0.473 17.145 0.628 1.00 0.00 C ATOM 218 C SER A 27 -1.483 16.247 -0.117 1.00 0.00 C ATOM 219 O SER A 27 -2.261 15.572 0.570 1.00 0.00 O ATOM 220 CB SER A 27 0.967 16.865 0.205 1.00 0.00 C ATOM 221 OG SER A 27 1.890 17.654 0.940 1.00 0.00 O ATOM 0 H SER A 27 -0.404 15.832 2.200 1.00 0.00 H new ATOM 0 HA SER A 27 -0.702 18.188 0.407 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.192 15.809 0.353 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.080 17.069 -0.860 1.00 0.00 H new ATOM 0 HG SER A 27 2.802 17.449 0.646 1.00 0.00 H new ATOM 227 N PRO A 28 -1.542 16.262 -1.497 1.00 0.00 N ATOM 228 CA PRO A 28 -2.434 15.397 -2.290 1.00 0.00 C ATOM 229 C PRO A 28 -2.600 13.974 -1.734 1.00 0.00 C ATOM 230 O PRO A 28 -1.697 13.127 -1.836 1.00 0.00 O ATOM 231 CB PRO A 28 -1.739 15.348 -3.637 1.00 0.00 C ATOM 232 CG PRO A 28 -1.111 16.685 -3.783 1.00 0.00 C ATOM 233 CD PRO A 28 -0.798 17.177 -2.396 1.00 0.00 C ATOM 0 HA PRO A 28 -3.450 15.792 -2.302 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.993 14.554 -3.670 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.448 15.153 -4.442 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.204 16.621 -4.384 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -1.784 17.374 -4.294 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.273 17.145 -2.196 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.116 18.211 -2.261 1.00 0.00 H new ATOM 241 N GLY A 29 -3.736 13.740 -1.136 1.00 0.00 N ATOM 242 CA GLY A 29 -4.051 12.477 -0.560 1.00 0.00 C ATOM 243 C GLY A 29 -5.369 12.019 -1.079 1.00 0.00 C ATOM 244 O GLY A 29 -6.165 12.833 -1.552 1.00 0.00 O ATOM 0 H GLY A 29 -4.475 14.437 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.277 11.749 -0.804 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.082 12.557 0.527 1.00 0.00 H new ATOM 248 N SER A 30 -5.642 10.761 -0.998 1.00 0.00 N ATOM 249 CA SER A 30 -6.828 10.279 -1.571 1.00 0.00 C ATOM 250 C SER A 30 -7.729 9.630 -0.559 1.00 0.00 C ATOM 251 O SER A 30 -7.321 9.188 0.529 1.00 0.00 O ATOM 252 CB SER A 30 -6.552 9.340 -2.737 1.00 0.00 C ATOM 253 OG SER A 30 -7.752 8.900 -3.365 1.00 0.00 O ATOM 0 H SER A 30 -5.057 10.061 -0.542 1.00 0.00 H new ATOM 0 HA SER A 30 -7.355 11.149 -1.961 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.925 9.847 -3.470 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.991 8.476 -2.381 1.00 0.00 H new ATOM 0 HG SER A 30 -7.531 8.301 -4.109 1.00 0.00 H new ATOM 259 N GLN A 31 -8.917 9.516 -0.987 1.00 0.00 N ATOM 260 CA GLN A 31 -10.013 8.978 -0.264 1.00 0.00 C ATOM 261 C GLN A 31 -10.048 7.511 -0.536 1.00 0.00 C ATOM 262 O GLN A 31 -10.418 6.723 0.316 1.00 0.00 O ATOM 263 CB GLN A 31 -11.351 9.666 -0.663 1.00 0.00 C ATOM 264 CG GLN A 31 -11.754 9.552 -2.163 1.00 0.00 C ATOM 265 CD GLN A 31 -10.821 10.302 -3.117 1.00 0.00 C ATOM 266 OE1 GLN A 31 -10.245 11.328 -2.763 1.00 0.00 O ATOM 267 NE2 GLN A 31 -10.613 9.780 -4.298 1.00 0.00 N ATOM 0 H GLN A 31 -9.181 9.817 -1.925 1.00 0.00 H new ATOM 0 HA GLN A 31 -9.888 9.160 0.803 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.151 9.239 -0.058 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -11.285 10.723 -0.404 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -11.774 8.499 -2.444 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.767 9.935 -2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.102 8.928 -4.572 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -9.962 10.225 -4.945 1.00 0.00 H new ATOM 276 N GLY A 32 -9.593 7.147 -1.725 1.00 0.00 N ATOM 277 CA GLY A 32 -9.471 5.776 -2.051 1.00 0.00 C ATOM 278 C GLY A 32 -8.324 5.214 -1.279 1.00 0.00 C ATOM 279 O GLY A 32 -8.362 4.085 -0.802 1.00 0.00 O ATOM 0 H GLY A 32 -9.309 7.794 -2.461 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -10.391 5.244 -1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -9.306 5.653 -3.121 1.00 0.00 H new ATOM 283 N VAL A 33 -7.322 6.047 -1.089 1.00 0.00 N ATOM 284 CA VAL A 33 -6.169 5.647 -0.330 1.00 0.00 C ATOM 285 C VAL A 33 -6.559 5.432 1.112 1.00 0.00 C ATOM 286 O VAL A 33 -6.377 4.357 1.627 1.00 0.00 O ATOM 287 CB VAL A 33 -5.022 6.650 -0.417 1.00 0.00 C ATOM 288 CG1 VAL A 33 -3.840 6.170 0.415 1.00 0.00 C ATOM 289 CG2 VAL A 33 -4.612 6.841 -1.857 1.00 0.00 C ATOM 0 H VAL A 33 -7.288 7.000 -1.450 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.806 4.716 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.357 7.608 -0.020 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.028 6.894 0.345 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.146 6.067 1.456 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.499 5.205 0.040 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.793 7.558 -1.910 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.286 5.887 -2.272 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -5.460 7.216 -2.430 1.00 0.00 H new ATOM 299 N ARG A 34 -7.097 6.473 1.758 1.00 0.00 N ATOM 300 CA ARG A 34 -7.585 6.369 3.126 1.00 0.00 C ATOM 301 C ARG A 34 -8.528 5.216 3.303 1.00 0.00 C ATOM 302 O ARG A 34 -8.485 4.552 4.301 1.00 0.00 O ATOM 303 CB ARG A 34 -8.234 7.638 3.633 1.00 0.00 C ATOM 304 CG ARG A 34 -9.559 8.050 3.037 1.00 0.00 C ATOM 305 CD ARG A 34 -9.872 9.496 3.400 1.00 0.00 C ATOM 306 NE ARG A 34 -9.770 9.732 4.852 1.00 0.00 N ATOM 307 CZ ARG A 34 -9.121 10.771 5.423 1.00 0.00 C ATOM 308 NH1 ARG A 34 -8.564 11.718 4.660 1.00 0.00 N ATOM 309 NH2 ARG A 34 -9.016 10.847 6.744 1.00 0.00 N ATOM 0 H ARG A 34 -7.203 7.400 1.347 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.692 6.194 3.727 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.371 7.535 4.709 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.531 8.456 3.478 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.529 7.938 1.953 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -10.350 7.396 3.404 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.184 10.159 2.875 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.877 9.746 3.061 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.223 9.061 5.472 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -8.628 11.657 3.644 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -8.075 12.501 5.094 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -9.426 10.120 7.331 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -8.526 11.632 7.172 1.00 0.00 H new ATOM 323 N ASP A 35 -9.379 5.003 2.330 1.00 0.00 N ATOM 324 CA ASP A 35 -10.268 3.839 2.323 1.00 0.00 C ATOM 325 C ASP A 35 -9.499 2.604 2.495 1.00 0.00 C ATOM 326 O ASP A 35 -9.797 1.823 3.366 1.00 0.00 O ATOM 327 CB ASP A 35 -11.116 3.699 1.079 1.00 0.00 C ATOM 328 CG ASP A 35 -12.564 4.061 1.294 1.00 0.00 C ATOM 329 OD1 ASP A 35 -13.188 3.511 2.236 1.00 0.00 O ATOM 330 OD2 ASP A 35 -13.136 4.825 0.479 1.00 0.00 O ATOM 0 H ASP A 35 -9.484 5.617 1.523 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.948 4.007 3.158 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.704 4.334 0.295 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.056 2.671 0.722 1.00 0.00 H new ATOM 335 N PHE A 36 -8.507 2.431 1.669 1.00 0.00 N ATOM 336 CA PHE A 36 -7.588 1.340 1.802 1.00 0.00 C ATOM 337 C PHE A 36 -7.079 1.304 3.234 1.00 0.00 C ATOM 338 O PHE A 36 -7.400 0.394 3.970 1.00 0.00 O ATOM 339 CB PHE A 36 -6.462 1.477 0.720 1.00 0.00 C ATOM 340 CG PHE A 36 -5.082 0.931 1.040 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.223 1.624 1.880 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.625 -0.232 0.456 1.00 0.00 C ATOM 343 CE1 PHE A 36 -2.959 1.154 2.134 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.353 -0.695 0.700 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.520 -0.003 1.539 1.00 0.00 C ATOM 0 H PHE A 36 -8.313 3.047 0.880 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.067 0.379 1.617 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.812 0.984 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.354 2.536 0.486 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.553 2.544 2.339 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.276 -0.788 -0.203 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.308 1.696 2.804 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.011 -1.605 0.230 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.521 -0.366 1.732 1.00 0.00 H new ATOM 355 N ILE A 37 -6.500 2.405 3.627 1.00 0.00 N ATOM 356 CA ILE A 37 -5.828 2.599 4.926 1.00 0.00 C ATOM 357 C ILE A 37 -6.742 2.167 6.119 1.00 0.00 C ATOM 358 O ILE A 37 -6.285 1.542 7.060 1.00 0.00 O ATOM 359 CB ILE A 37 -5.470 4.119 5.211 1.00 0.00 C ATOM 360 CG1 ILE A 37 -4.787 4.931 4.066 1.00 0.00 C ATOM 361 CG2 ILE A 37 -4.687 4.293 6.506 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.444 4.468 3.591 1.00 0.00 C ATOM 0 H ILE A 37 -6.471 3.240 3.041 1.00 0.00 H new ATOM 0 HA ILE A 37 -4.926 1.990 4.857 1.00 0.00 H new ATOM 0 HB ILE A 37 -6.463 4.561 5.297 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.462 4.937 3.210 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.687 5.964 4.400 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -4.465 5.349 6.658 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -5.280 3.923 7.342 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -3.755 3.732 6.446 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.093 5.125 2.795 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -2.737 4.492 4.420 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -3.524 3.449 3.211 1.00 0.00 H new ATOM 374 N GLU A 38 -8.004 2.545 6.078 1.00 0.00 N ATOM 375 CA GLU A 38 -8.872 2.401 7.239 1.00 0.00 C ATOM 376 C GLU A 38 -9.880 1.312 7.072 1.00 0.00 C ATOM 377 O GLU A 38 -9.981 0.380 7.877 1.00 0.00 O ATOM 378 CB GLU A 38 -9.498 3.754 7.695 1.00 0.00 C ATOM 379 CG GLU A 38 -10.329 4.497 6.653 1.00 0.00 C ATOM 380 CD GLU A 38 -11.788 4.592 7.003 1.00 0.00 C ATOM 381 OE1 GLU A 38 -12.544 3.646 6.730 1.00 0.00 O ATOM 382 OE2 GLU A 38 -12.213 5.633 7.538 1.00 0.00 O ATOM 0 H GLU A 38 -8.454 2.953 5.259 1.00 0.00 H new ATOM 0 HA GLU A 38 -8.231 2.084 8.061 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -10.128 3.564 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.692 4.411 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.927 5.503 6.530 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -10.227 3.993 5.692 1.00 0.00 H new ATOM 389 N LYS A 39 -10.584 1.422 5.979 1.00 0.00 N ATOM 390 CA LYS A 39 -11.702 0.605 5.661 1.00 0.00 C ATOM 391 C LYS A 39 -11.218 -0.720 5.215 1.00 0.00 C ATOM 392 O LYS A 39 -11.778 -1.751 5.574 1.00 0.00 O ATOM 393 CB LYS A 39 -12.454 1.232 4.480 1.00 0.00 C ATOM 394 CG LYS A 39 -13.858 0.696 4.235 1.00 0.00 C ATOM 395 CD LYS A 39 -14.875 1.276 5.223 1.00 0.00 C ATOM 396 CE LYS A 39 -15.342 2.708 4.853 1.00 0.00 C ATOM 397 NZ LYS A 39 -14.241 3.687 4.703 1.00 0.00 N ATOM 0 H LYS A 39 -10.378 2.116 5.261 1.00 0.00 H new ATOM 0 HA LYS A 39 -12.346 0.514 6.536 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.519 2.308 4.643 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -11.864 1.082 3.576 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.165 0.935 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -13.851 -0.391 4.319 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.743 0.618 5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -14.435 1.291 6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -15.904 2.665 3.920 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.027 3.064 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -14.629 4.652 4.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -13.562 3.568 5.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -13.758 3.530 3.795 1.00 0.00 H new ATOM 411 N ARG A 40 -10.154 -0.722 4.451 1.00 0.00 N ATOM 412 CA ARG A 40 -9.791 -1.916 3.850 1.00 0.00 C ATOM 413 C ARG A 40 -8.608 -2.540 4.525 1.00 0.00 C ATOM 414 O ARG A 40 -8.424 -3.666 4.372 1.00 0.00 O ATOM 415 CB ARG A 40 -9.512 -1.709 2.367 1.00 0.00 C ATOM 416 CG ARG A 40 -9.453 -3.003 1.601 1.00 0.00 C ATOM 417 CD ARG A 40 -10.842 -3.617 1.426 1.00 0.00 C ATOM 418 NE ARG A 40 -11.711 -2.780 0.572 1.00 0.00 N ATOM 419 CZ ARG A 40 -12.723 -2.016 0.998 1.00 0.00 C ATOM 420 NH1 ARG A 40 -13.168 -2.121 2.243 1.00 0.00 N ATOM 421 NH2 ARG A 40 -13.354 -1.228 0.146 1.00 0.00 N ATOM 0 H ARG A 40 -9.558 0.082 4.253 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.631 -2.603 3.955 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.289 -1.074 1.941 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.567 -1.179 2.250 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.006 -2.827 0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.807 -3.707 2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.747 -4.609 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -11.308 -3.745 2.403 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.522 -2.785 -0.430 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.738 -2.788 2.884 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.940 -1.535 2.560 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.069 -1.204 -0.833 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.126 -0.644 0.467 1.00 0.00 H new ATOM 435 N TYR A 41 -7.858 -1.789 5.305 1.00 0.00 N ATOM 436 CA TYR A 41 -6.542 -2.265 5.908 1.00 0.00 C ATOM 437 C TYR A 41 -6.466 -3.754 6.281 1.00 0.00 C ATOM 438 O TYR A 41 -5.831 -4.534 5.568 1.00 0.00 O ATOM 439 CB TYR A 41 -6.200 -1.441 7.140 1.00 0.00 C ATOM 440 CG TYR A 41 -4.765 -1.514 7.644 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.358 -2.523 8.508 1.00 0.00 C ATOM 442 CD2 TYR A 41 -3.833 -0.551 7.278 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.068 -2.577 8.985 1.00 0.00 C ATOM 444 CE2 TYR A 41 -2.539 -0.594 7.755 1.00 0.00 C ATOM 445 CZ TYR A 41 -2.160 -1.607 8.608 1.00 0.00 C ATOM 446 OH TYR A 41 -0.864 -1.656 9.080 1.00 0.00 O ATOM 0 H TYR A 41 -8.104 -0.833 5.562 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.820 -2.124 5.103 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.431 -0.398 6.924 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -6.860 -1.753 7.950 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.067 -3.279 8.811 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.126 0.245 6.609 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.768 -3.373 9.650 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -1.827 0.163 7.461 1.00 0.00 H new ATOM 0 HH TYR A 41 -0.382 -2.385 8.637 1.00 0.00 H new ATOM 456 N VAL A 42 -7.109 -4.151 7.326 1.00 0.00 N ATOM 457 CA VAL A 42 -6.972 -5.521 7.790 1.00 0.00 C ATOM 458 C VAL A 42 -7.771 -6.474 6.899 1.00 0.00 C ATOM 459 O VAL A 42 -7.496 -7.662 6.805 1.00 0.00 O ATOM 460 CB VAL A 42 -7.295 -5.636 9.295 1.00 0.00 C ATOM 461 CG1 VAL A 42 -8.596 -4.942 9.596 1.00 0.00 C ATOM 462 CG2 VAL A 42 -7.292 -7.092 9.777 1.00 0.00 C ATOM 0 H VAL A 42 -7.733 -3.566 7.882 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.931 -5.830 7.698 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.504 -5.135 9.853 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -8.817 -5.028 10.660 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -8.518 -3.889 9.325 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.397 -5.406 9.021 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.524 -7.123 10.842 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.041 -7.659 9.225 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.308 -7.529 9.607 1.00 0.00 H new ATOM 472 N GLU A 43 -8.671 -5.901 6.170 1.00 0.00 N ATOM 473 CA GLU A 43 -9.437 -6.600 5.187 1.00 0.00 C ATOM 474 C GLU A 43 -8.583 -6.797 3.941 1.00 0.00 C ATOM 475 O GLU A 43 -8.790 -7.740 3.243 1.00 0.00 O ATOM 476 CB GLU A 43 -10.738 -5.821 4.911 1.00 0.00 C ATOM 477 CG GLU A 43 -11.656 -6.403 3.854 1.00 0.00 C ATOM 478 CD GLU A 43 -13.010 -5.737 3.851 1.00 0.00 C ATOM 479 OE1 GLU A 43 -13.112 -4.554 3.479 1.00 0.00 O ATOM 480 OE2 GLU A 43 -14.007 -6.388 4.241 1.00 0.00 O ATOM 0 H GLU A 43 -8.901 -4.910 6.242 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.726 -7.590 5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.296 -5.744 5.844 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.473 -4.806 4.614 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.195 -6.291 2.873 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.778 -7.472 4.029 1.00 0.00 H new ATOM 487 N LEU A 44 -7.565 -5.943 3.681 1.00 0.00 N ATOM 488 CA LEU A 44 -6.735 -6.217 2.546 1.00 0.00 C ATOM 489 C LEU A 44 -5.573 -7.057 3.006 1.00 0.00 C ATOM 490 O LEU A 44 -4.929 -7.730 2.225 1.00 0.00 O ATOM 491 CB LEU A 44 -6.308 -4.953 1.772 1.00 0.00 C ATOM 492 CG LEU A 44 -5.114 -4.168 2.262 1.00 0.00 C ATOM 493 CD1 LEU A 44 -4.080 -4.078 1.153 1.00 0.00 C ATOM 494 CD2 LEU A 44 -5.526 -2.781 2.697 1.00 0.00 C ATOM 0 H LEU A 44 -7.328 -5.112 4.222 1.00 0.00 H new ATOM 0 HA LEU A 44 -7.314 -6.776 1.811 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -6.108 -5.248 0.742 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -7.162 -4.276 1.750 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.685 -4.682 3.122 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.218 -3.512 1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.764 -5.081 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -4.516 -3.576 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -4.650 -2.234 3.046 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.972 -2.253 1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.254 -2.854 3.505 1.00 0.00 H new ATOM 506 N LYS A 45 -5.373 -7.053 4.315 1.00 0.00 N ATOM 507 CA LYS A 45 -4.383 -7.882 4.969 1.00 0.00 C ATOM 508 C LYS A 45 -4.907 -9.310 4.970 1.00 0.00 C ATOM 509 O LYS A 45 -4.157 -10.275 4.856 1.00 0.00 O ATOM 510 CB LYS A 45 -4.139 -7.332 6.409 1.00 0.00 C ATOM 511 CG LYS A 45 -2.897 -7.844 7.144 1.00 0.00 C ATOM 512 CD LYS A 45 -3.068 -9.229 7.743 1.00 0.00 C ATOM 513 CE LYS A 45 -1.754 -9.713 8.334 1.00 0.00 C ATOM 514 NZ LYS A 45 -1.842 -11.065 8.914 1.00 0.00 N ATOM 0 H LYS A 45 -5.903 -6.465 4.958 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.424 -7.867 4.451 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.075 -6.245 6.351 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.014 -7.568 7.015 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.056 -7.859 6.451 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.642 -7.143 7.939 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.836 -9.206 8.516 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.408 -9.925 6.976 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.989 -9.707 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.430 -9.014 9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -0.916 -11.338 9.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -2.550 -11.071 9.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -2.122 -11.742 8.176 1.00 0.00 H new ATOM 528 N LYS A 46 -6.210 -9.438 5.082 1.00 0.00 N ATOM 529 CA LYS A 46 -6.841 -10.725 5.019 1.00 0.00 C ATOM 530 C LYS A 46 -7.133 -11.062 3.567 1.00 0.00 C ATOM 531 O LYS A 46 -7.192 -12.239 3.195 1.00 0.00 O ATOM 532 CB LYS A 46 -8.141 -10.738 5.837 1.00 0.00 C ATOM 533 CG LYS A 46 -9.349 -10.106 5.154 1.00 0.00 C ATOM 534 CD LYS A 46 -10.440 -9.806 6.169 1.00 0.00 C ATOM 535 CE LYS A 46 -11.729 -9.389 5.500 1.00 0.00 C ATOM 536 NZ LYS A 46 -12.793 -9.117 6.478 1.00 0.00 N ATOM 0 H LYS A 46 -6.852 -8.657 5.218 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.170 -11.472 5.444 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.384 -11.771 6.085 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.963 -10.218 6.778 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.050 -9.186 4.651 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.733 -10.778 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.618 -10.689 6.783 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.105 -9.014 6.839 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.553 -8.498 4.898 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.055 -10.175 4.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.660 -8.834 5.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.979 -9.975 7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.493 -8.349 7.113 1.00 0.00 H new ATOM 550 N ALA A 47 -7.313 -10.024 2.745 1.00 0.00 N ATOM 551 CA ALA A 47 -7.635 -10.217 1.356 1.00 0.00 C ATOM 552 C ALA A 47 -6.444 -10.788 0.606 1.00 0.00 C ATOM 553 O ALA A 47 -6.582 -11.607 -0.315 1.00 0.00 O ATOM 554 CB ALA A 47 -8.037 -8.922 0.668 1.00 0.00 C ATOM 0 H ALA A 47 -7.238 -9.048 3.031 1.00 0.00 H new ATOM 0 HA ALA A 47 -8.478 -10.908 1.334 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -8.270 -9.123 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.915 -8.505 1.162 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.215 -8.209 0.726 1.00 0.00 H new ATOM 560 N ASN A 48 -5.282 -10.349 1.032 1.00 0.00 N ATOM 561 CA ASN A 48 -4.023 -10.637 0.444 1.00 0.00 C ATOM 562 C ASN A 48 -3.154 -11.031 1.631 1.00 0.00 C ATOM 563 O ASN A 48 -2.541 -10.200 2.269 1.00 0.00 O ATOM 564 CB ASN A 48 -3.412 -9.390 -0.278 1.00 0.00 C ATOM 565 CG ASN A 48 -4.351 -8.652 -1.261 1.00 0.00 C ATOM 566 OD1 ASN A 48 -5.273 -9.240 -1.837 1.00 0.00 O ATOM 567 ND2 ASN A 48 -4.097 -7.351 -1.489 1.00 0.00 N ATOM 0 H ASN A 48 -5.202 -9.745 1.850 1.00 0.00 H new ATOM 0 HA ASN A 48 -4.100 -11.410 -0.320 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -3.082 -8.681 0.481 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -2.524 -9.709 -0.824 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -4.671 -6.827 -2.150 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -3.330 -6.888 -1.001 1.00 0.00 H new ATOM 574 N PRO A 49 -3.218 -12.299 1.990 1.00 0.00 N ATOM 575 CA PRO A 49 -2.606 -12.865 3.212 1.00 0.00 C ATOM 576 C PRO A 49 -1.143 -12.590 3.346 1.00 0.00 C ATOM 577 O PRO A 49 -0.684 -11.991 4.326 1.00 0.00 O ATOM 578 CB PRO A 49 -2.870 -14.366 3.072 1.00 0.00 C ATOM 579 CG PRO A 49 -3.151 -14.534 1.630 1.00 0.00 C ATOM 580 CD PRO A 49 -3.906 -13.311 1.234 1.00 0.00 C ATOM 0 HA PRO A 49 -3.032 -12.416 4.109 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.008 -14.956 3.384 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.713 -14.684 3.685 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -2.228 -14.630 1.058 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.736 -15.435 1.445 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.857 -13.127 0.161 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.961 -13.376 1.499 1.00 0.00 H new ATOM 588 N ASP A 50 -0.423 -13.002 2.366 1.00 0.00 N ATOM 589 CA ASP A 50 1.043 -12.801 2.334 1.00 0.00 C ATOM 590 C ASP A 50 1.404 -11.381 1.840 1.00 0.00 C ATOM 591 O ASP A 50 2.430 -11.134 1.197 1.00 0.00 O ATOM 592 CB ASP A 50 1.743 -13.892 1.507 1.00 0.00 C ATOM 593 CG ASP A 50 3.266 -13.784 1.549 1.00 0.00 C ATOM 594 OD1 ASP A 50 3.871 -14.011 2.621 1.00 0.00 O ATOM 595 OD2 ASP A 50 3.873 -13.461 0.500 1.00 0.00 O ATOM 0 H ASP A 50 -0.798 -13.489 1.552 1.00 0.00 H new ATOM 0 HA ASP A 50 1.412 -12.890 3.356 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.443 -14.872 1.879 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.408 -13.828 0.472 1.00 0.00 H new ATOM 600 N LEU A 51 0.580 -10.453 2.146 1.00 0.00 N ATOM 601 CA LEU A 51 0.863 -9.102 1.849 1.00 0.00 C ATOM 602 C LEU A 51 1.071 -8.399 3.194 1.00 0.00 C ATOM 603 O LEU A 51 0.106 -8.168 3.923 1.00 0.00 O ATOM 604 CB LEU A 51 -0.306 -8.475 1.031 1.00 0.00 C ATOM 605 CG LEU A 51 -0.078 -7.098 0.362 1.00 0.00 C ATOM 606 CD1 LEU A 51 -1.242 -6.726 -0.492 1.00 0.00 C ATOM 607 CD2 LEU A 51 0.170 -5.993 1.343 1.00 0.00 C ATOM 0 H LEU A 51 -0.314 -10.609 2.612 1.00 0.00 H new ATOM 0 HA LEU A 51 1.755 -8.997 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.582 -9.183 0.249 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.165 -8.384 1.696 1.00 0.00 H new ATOM 0 HG LEU A 51 0.821 -7.213 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.060 -5.755 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.377 -7.477 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -2.141 -6.674 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.322 -5.057 0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.689 -5.896 2.006 1.00 0.00 H new ATOM 0 HD23 LEU A 51 1.059 -6.222 1.931 1.00 0.00 H new ATOM 619 N PRO A 52 2.338 -8.212 3.622 1.00 0.00 N ATOM 620 CA PRO A 52 2.656 -7.428 4.810 1.00 0.00 C ATOM 621 C PRO A 52 2.165 -6.042 4.690 1.00 0.00 C ATOM 622 O PRO A 52 2.559 -5.343 3.783 1.00 0.00 O ATOM 623 CB PRO A 52 4.144 -7.343 4.793 1.00 0.00 C ATOM 624 CG PRO A 52 4.583 -8.561 4.106 1.00 0.00 C ATOM 625 CD PRO A 52 3.547 -8.814 3.052 1.00 0.00 C ATOM 0 HA PRO A 52 2.217 -7.878 5.700 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.483 -6.450 4.269 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.548 -7.292 5.804 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.570 -8.429 3.664 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.653 -9.400 4.798 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.817 -8.353 2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 52 3.416 -9.879 2.863 1.00 0.00 H new ATOM 633 N ILE A 53 1.385 -5.637 5.614 1.00 0.00 N ATOM 634 CA ILE A 53 0.815 -4.318 5.580 1.00 0.00 C ATOM 635 C ILE A 53 1.250 -3.572 6.792 1.00 0.00 C ATOM 636 O ILE A 53 0.679 -3.717 7.895 1.00 0.00 O ATOM 637 CB ILE A 53 -0.731 -4.327 5.475 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.140 -5.163 4.282 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.270 -2.899 5.316 1.00 0.00 C ATOM 640 CD1 ILE A 53 -2.606 -5.237 4.051 1.00 0.00 C ATOM 0 H ILE A 53 1.113 -6.197 6.422 1.00 0.00 H new ATOM 0 HA ILE A 53 1.176 -3.824 4.678 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.148 -4.752 6.388 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.665 -4.755 3.390 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.755 -6.174 4.414 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.357 -2.926 5.244 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.979 -2.302 6.180 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -0.858 -2.453 4.411 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.806 -5.856 3.176 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -3.090 -5.675 4.924 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.999 -4.234 3.883 1.00 0.00 H new ATOM 652 N LEU A 54 2.274 -2.822 6.608 1.00 0.00 N ATOM 653 CA LEU A 54 2.858 -2.059 7.644 1.00 0.00 C ATOM 654 C LEU A 54 2.594 -0.600 7.350 1.00 0.00 C ATOM 655 O LEU A 54 2.695 -0.166 6.199 1.00 0.00 O ATOM 656 CB LEU A 54 4.359 -2.353 7.677 1.00 0.00 C ATOM 657 CG LEU A 54 4.736 -3.851 7.745 1.00 0.00 C ATOM 658 CD1 LEU A 54 6.227 -4.042 7.606 1.00 0.00 C ATOM 659 CD2 LEU A 54 4.244 -4.482 9.037 1.00 0.00 C ATOM 0 H LEU A 54 2.741 -2.720 5.707 1.00 0.00 H new ATOM 0 HA LEU A 54 2.436 -2.309 8.617 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.817 -1.920 6.788 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.793 -1.846 8.539 1.00 0.00 H new ATOM 0 HG LEU A 54 4.245 -4.350 6.910 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.464 -5.105 7.657 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.557 -3.642 6.647 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.738 -3.517 8.413 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.523 -5.535 9.057 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.696 -3.971 9.887 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.159 -4.393 9.095 1.00 0.00 H new ATOM 671 N ILE A 55 2.240 0.137 8.350 1.00 0.00 N ATOM 672 CA ILE A 55 1.933 1.514 8.204 1.00 0.00 C ATOM 673 C ILE A 55 3.186 2.299 8.591 1.00 0.00 C ATOM 674 O ILE A 55 3.888 1.948 9.549 1.00 0.00 O ATOM 675 CB ILE A 55 0.664 1.906 9.083 1.00 0.00 C ATOM 676 CG1 ILE A 55 -0.383 2.695 8.263 1.00 0.00 C ATOM 677 CG2 ILE A 55 1.010 2.655 10.375 1.00 0.00 C ATOM 678 CD1 ILE A 55 0.123 3.971 7.628 1.00 0.00 C ATOM 0 H ILE A 55 2.156 -0.210 9.306 1.00 0.00 H new ATOM 0 HA ILE A 55 1.662 1.753 7.176 1.00 0.00 H new ATOM 0 HB ILE A 55 0.227 0.954 9.386 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.770 2.046 7.477 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -1.221 2.940 8.915 1.00 0.00 H new ATOM 0 HG21 ILE A 55 0.094 2.887 10.918 1.00 0.00 H new ATOM 0 HG22 ILE A 55 1.652 2.031 10.997 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.531 3.581 10.131 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -0.687 4.449 7.076 1.00 0.00 H new ATOM 0 HD12 ILE A 55 0.481 4.647 8.405 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.940 3.738 6.945 1.00 0.00 H new ATOM 690 N ARG A 56 3.515 3.243 7.792 1.00 0.00 N ATOM 691 CA ARG A 56 4.663 4.103 8.005 1.00 0.00 C ATOM 692 C ARG A 56 4.223 5.523 7.886 1.00 0.00 C ATOM 693 O ARG A 56 3.190 5.817 7.288 1.00 0.00 O ATOM 694 CB ARG A 56 5.720 3.873 6.944 1.00 0.00 C ATOM 695 CG ARG A 56 6.186 2.440 6.818 1.00 0.00 C ATOM 696 CD ARG A 56 7.028 2.011 8.001 1.00 0.00 C ATOM 697 NE ARG A 56 8.349 2.654 7.999 1.00 0.00 N ATOM 698 CZ ARG A 56 9.429 2.175 8.633 1.00 0.00 C ATOM 699 NH1 ARG A 56 9.360 1.034 9.320 1.00 0.00 N ATOM 700 NH2 ARG A 56 10.580 2.822 8.579 1.00 0.00 N ATOM 0 H ARG A 56 2.993 3.461 6.943 1.00 0.00 H new ATOM 0 HA ARG A 56 5.076 3.883 8.989 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.326 4.199 5.981 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.581 4.503 7.166 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.320 1.783 6.732 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.764 2.326 5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.506 2.258 8.926 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.152 0.928 7.984 1.00 0.00 H new ATOM 0 HE ARG A 56 8.452 3.526 7.479 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.481 0.519 9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.186 0.677 9.799 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.651 3.693 8.052 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.397 2.451 9.064 1.00 0.00 H new ATOM 714 N GLU A 57 5.002 6.390 8.401 1.00 0.00 N ATOM 715 CA GLU A 57 4.692 7.788 8.398 1.00 0.00 C ATOM 716 C GLU A 57 5.838 8.620 7.873 1.00 0.00 C ATOM 717 O GLU A 57 6.985 8.432 8.282 1.00 0.00 O ATOM 718 CB GLU A 57 4.338 8.279 9.799 1.00 0.00 C ATOM 719 CG GLU A 57 3.118 7.637 10.424 1.00 0.00 C ATOM 720 CD GLU A 57 2.891 8.145 11.814 1.00 0.00 C ATOM 721 OE1 GLU A 57 3.650 7.746 12.733 1.00 0.00 O ATOM 722 OE2 GLU A 57 1.992 8.985 12.023 1.00 0.00 O ATOM 0 H GLU A 57 5.890 6.160 8.847 1.00 0.00 H new ATOM 0 HA GLU A 57 3.834 7.908 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.193 8.107 10.453 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.180 9.357 9.759 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.241 7.843 9.811 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.244 6.555 10.446 1.00 0.00 H new ATOM 729 N CYS A 58 5.508 9.500 6.947 1.00 0.00 N ATOM 730 CA CYS A 58 6.366 10.598 6.492 1.00 0.00 C ATOM 731 C CYS A 58 7.513 10.153 5.564 1.00 0.00 C ATOM 732 O CYS A 58 8.415 9.408 5.968 1.00 0.00 O ATOM 733 CB CYS A 58 6.896 11.423 7.699 1.00 0.00 C ATOM 734 SG CYS A 58 5.622 11.893 8.972 1.00 0.00 S ATOM 0 H CYS A 58 4.607 9.477 6.470 1.00 0.00 H new ATOM 0 HA CYS A 58 5.733 11.240 5.879 1.00 0.00 H new ATOM 0 HB2 CYS A 58 7.681 10.850 8.191 1.00 0.00 H new ATOM 0 HB3 CYS A 58 7.357 12.334 7.319 1.00 0.00 H new ATOM 739 N SER A 59 7.453 10.609 4.310 1.00 0.00 N ATOM 740 CA SER A 59 8.507 10.351 3.339 1.00 0.00 C ATOM 741 C SER A 59 8.391 11.266 2.098 1.00 0.00 C ATOM 742 O SER A 59 9.333 11.991 1.767 1.00 0.00 O ATOM 743 CB SER A 59 8.556 8.865 2.939 1.00 0.00 C ATOM 744 OG SER A 59 7.319 8.427 2.392 1.00 0.00 O ATOM 0 H SER A 59 6.677 11.162 3.946 1.00 0.00 H new ATOM 0 HA SER A 59 9.452 10.593 3.826 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.351 8.710 2.210 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.802 8.261 3.812 1.00 0.00 H new ATOM 0 HG SER A 59 7.374 7.471 2.182 1.00 0.00 H new ATOM 750 N ASP A 60 7.223 11.274 1.450 1.00 0.00 N ATOM 751 CA ASP A 60 7.023 12.027 0.217 1.00 0.00 C ATOM 752 C ASP A 60 5.582 12.571 0.272 1.00 0.00 C ATOM 753 O ASP A 60 5.027 12.588 1.368 1.00 0.00 O ATOM 754 CB ASP A 60 7.253 11.083 -0.994 1.00 0.00 C ATOM 755 CG ASP A 60 7.487 11.802 -2.318 1.00 0.00 C ATOM 756 OD1 ASP A 60 6.516 12.185 -2.978 1.00 0.00 O ATOM 757 OD2 ASP A 60 8.657 11.979 -2.718 1.00 0.00 O ATOM 0 H ASP A 60 6.399 10.762 1.765 1.00 0.00 H new ATOM 0 HA ASP A 60 7.722 12.857 0.108 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.112 10.445 -0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 60 6.388 10.428 -1.098 1.00 0.00 H new ATOM 762 N VAL A 61 4.959 12.864 -0.890 1.00 0.00 N ATOM 763 CA VAL A 61 3.645 13.580 -1.039 1.00 0.00 C ATOM 764 C VAL A 61 2.669 13.362 0.112 1.00 0.00 C ATOM 765 O VAL A 61 2.393 14.273 0.863 1.00 0.00 O ATOM 766 CB VAL A 61 2.914 13.198 -2.371 1.00 0.00 C ATOM 767 CG1 VAL A 61 1.600 13.954 -2.522 1.00 0.00 C ATOM 768 CG2 VAL A 61 3.786 13.456 -3.567 1.00 0.00 C ATOM 0 H VAL A 61 5.361 12.605 -1.791 1.00 0.00 H new ATOM 0 HA VAL A 61 3.929 14.632 -1.044 1.00 0.00 H new ATOM 0 HB VAL A 61 2.698 12.131 -2.318 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.119 13.665 -3.457 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.943 13.712 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.796 15.026 -2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.249 13.180 -4.475 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.046 14.514 -3.606 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.696 12.861 -3.489 1.00 0.00 H new ATOM 778 N GLN A 62 2.211 12.146 0.265 1.00 0.00 N ATOM 779 CA GLN A 62 1.168 11.836 1.256 1.00 0.00 C ATOM 780 C GLN A 62 0.908 10.305 1.271 1.00 0.00 C ATOM 781 O GLN A 62 1.272 9.651 2.226 1.00 0.00 O ATOM 782 CB GLN A 62 -0.147 12.644 0.993 1.00 0.00 C ATOM 783 CG GLN A 62 -1.011 12.921 2.221 1.00 0.00 C ATOM 784 CD GLN A 62 -1.504 11.700 2.974 1.00 0.00 C ATOM 785 OE1 GLN A 62 -0.846 11.198 3.880 1.00 0.00 O ATOM 786 NE2 GLN A 62 -2.677 11.256 2.653 1.00 0.00 N ATOM 0 H GLN A 62 2.533 11.343 -0.275 1.00 0.00 H new ATOM 0 HA GLN A 62 1.521 12.143 2.240 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.119 13.597 0.536 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -0.747 12.099 0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.440 13.543 2.910 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.877 13.505 1.908 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.199 11.695 1.895 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.079 10.467 3.158 1.00 0.00 H new ATOM 795 N PRO A 63 0.355 9.684 0.191 1.00 0.00 N ATOM 796 CA PRO A 63 0.093 8.256 0.171 1.00 0.00 C ATOM 797 C PRO A 63 1.118 7.499 -0.680 1.00 0.00 C ATOM 798 O PRO A 63 0.959 7.404 -1.867 1.00 0.00 O ATOM 799 CB PRO A 63 -1.272 8.207 -0.530 1.00 0.00 C ATOM 800 CG PRO A 63 -1.406 9.523 -1.275 1.00 0.00 C ATOM 801 CD PRO A 63 -0.118 10.276 -1.064 1.00 0.00 C ATOM 0 HA PRO A 63 0.132 7.802 1.161 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.328 7.362 -1.217 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -2.078 8.084 0.193 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.583 9.350 -2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.254 10.095 -0.899 1.00 0.00 H new ATOM 0 HD2 PRO A 63 0.586 10.124 -1.882 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.279 11.351 -0.977 1.00 0.00 H new ATOM 809 N LYS A 64 2.158 6.991 -0.088 1.00 0.00 N ATOM 810 CA LYS A 64 3.217 6.322 -0.865 1.00 0.00 C ATOM 811 C LYS A 64 3.152 4.835 -0.620 1.00 0.00 C ATOM 812 O LYS A 64 2.806 4.400 0.479 1.00 0.00 O ATOM 813 CB LYS A 64 4.631 6.821 -0.475 1.00 0.00 C ATOM 814 CG LYS A 64 4.980 8.291 -0.768 1.00 0.00 C ATOM 815 CD LYS A 64 4.208 9.308 0.069 1.00 0.00 C ATOM 816 CE LYS A 64 4.499 9.162 1.573 1.00 0.00 C ATOM 817 NZ LYS A 64 3.865 10.210 2.427 1.00 0.00 N ATOM 0 H LYS A 64 2.316 7.015 0.919 1.00 0.00 H new ATOM 0 HA LYS A 64 3.048 6.556 -1.916 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.763 6.652 0.594 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.361 6.195 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.047 8.438 -0.600 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.793 8.492 -1.823 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.470 10.316 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.139 9.184 -0.106 1.00 0.00 H new ATOM 0 HE2 LYS A 64 4.154 8.183 1.904 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.578 9.189 1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 4.419 10.329 3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.838 11.111 1.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 2.896 9.921 2.669 1.00 0.00 H new ATOM 831 N LEU A 65 3.534 4.075 -1.608 1.00 0.00 N ATOM 832 CA LEU A 65 3.438 2.643 -1.537 1.00 0.00 C ATOM 833 C LEU A 65 4.785 2.048 -1.457 1.00 0.00 C ATOM 834 O LEU A 65 5.475 2.031 -2.452 1.00 0.00 O ATOM 835 CB LEU A 65 2.827 2.140 -2.815 1.00 0.00 C ATOM 836 CG LEU A 65 2.365 0.670 -2.824 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.426 0.378 -1.660 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.700 0.339 -4.150 1.00 0.00 C ATOM 0 H LEU A 65 3.920 4.429 -2.483 1.00 0.00 H new ATOM 0 HA LEU A 65 2.845 2.376 -0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.969 2.769 -3.054 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.553 2.274 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 65 3.243 0.036 -2.704 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.118 -0.667 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.941 0.574 -0.719 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.547 1.018 -1.732 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.377 -0.702 -4.145 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.835 0.986 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.410 0.495 -4.962 1.00 0.00 H new ATOM 850 N TRP A 66 5.201 1.608 -0.321 1.00 0.00 N ATOM 851 CA TRP A 66 6.447 0.928 -0.296 1.00 0.00 C ATOM 852 C TRP A 66 6.204 -0.548 -0.479 1.00 0.00 C ATOM 853 O TRP A 66 5.343 -1.121 0.183 1.00 0.00 O ATOM 854 CB TRP A 66 7.277 1.158 0.991 1.00 0.00 C ATOM 855 CG TRP A 66 8.431 0.182 1.148 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.475 -0.961 1.915 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.660 0.246 0.477 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.679 -1.594 1.742 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.428 -0.859 0.858 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.181 1.138 -0.407 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.703 -1.064 0.348 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.415 0.936 -0.905 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.163 -0.130 -0.544 1.00 0.00 C ATOM 0 H TRP A 66 4.718 1.701 0.572 1.00 0.00 H new ATOM 0 HA TRP A 66 7.040 1.343 -1.111 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.669 2.175 0.984 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.621 1.075 1.857 1.00 0.00 H new ATOM 0 HD1 TRP A 66 7.679 -1.307 2.558 1.00 0.00 H new ATOM 0 HE1 TRP A 66 9.968 -2.462 2.193 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.608 2.003 -0.708 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.301 -1.915 0.639 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.818 1.645 -1.612 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.149 -0.249 -0.969 1.00 0.00 H new ATOM 874 N ALA A 67 6.952 -1.130 -1.338 1.00 0.00 N ATOM 875 CA ALA A 67 6.931 -2.523 -1.564 1.00 0.00 C ATOM 876 C ALA A 67 8.342 -2.999 -1.698 1.00 0.00 C ATOM 877 O ALA A 67 9.170 -2.322 -2.320 1.00 0.00 O ATOM 878 CB ALA A 67 6.175 -2.840 -2.836 1.00 0.00 C ATOM 0 H ALA A 67 7.620 -0.630 -1.925 1.00 0.00 H new ATOM 0 HA ALA A 67 6.434 -3.020 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.168 -3.918 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.150 -2.479 -2.750 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.662 -2.351 -3.680 1.00 0.00 H new ATOM 884 N ARG A 68 8.636 -4.109 -1.093 1.00 0.00 N ATOM 885 CA ARG A 68 9.861 -4.755 -1.280 1.00 0.00 C ATOM 886 C ARG A 68 9.480 -6.185 -1.476 1.00 0.00 C ATOM 887 O ARG A 68 9.113 -6.900 -0.552 1.00 0.00 O ATOM 888 CB ARG A 68 10.835 -4.612 -0.113 1.00 0.00 C ATOM 889 CG ARG A 68 12.245 -5.035 -0.488 1.00 0.00 C ATOM 890 CD ARG A 68 13.013 -3.902 -1.169 1.00 0.00 C ATOM 891 NE ARG A 68 14.119 -4.398 -2.004 1.00 0.00 N ATOM 892 CZ ARG A 68 15.415 -4.056 -1.884 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.832 -3.275 -0.880 1.00 0.00 N ATOM 894 NH2 ARG A 68 16.285 -4.512 -2.772 1.00 0.00 N ATOM 0 H ARG A 68 8.007 -4.585 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 68 10.401 -4.315 -2.119 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.846 -3.576 0.224 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.487 -5.216 0.725 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.780 -5.351 0.407 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.201 -5.897 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.327 -3.321 -1.786 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.408 -3.227 -0.410 1.00 0.00 H new ATOM 0 HE ARG A 68 13.881 -5.062 -2.741 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.164 -2.930 -0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 68 16.818 -3.025 -0.804 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.969 -5.113 -3.533 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.271 -4.262 -2.695 1.00 0.00 H new ATOM 908 N TYR A 69 9.411 -6.524 -2.673 1.00 0.00 N ATOM 909 CA TYR A 69 9.011 -7.849 -3.105 1.00 0.00 C ATOM 910 C TYR A 69 10.173 -8.820 -2.864 1.00 0.00 C ATOM 911 O TYR A 69 11.305 -8.390 -2.696 1.00 0.00 O ATOM 912 CB TYR A 69 8.734 -7.837 -4.614 1.00 0.00 C ATOM 913 CG TYR A 69 7.880 -6.695 -5.119 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.516 -6.740 -5.033 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.461 -5.572 -5.696 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.737 -5.705 -5.497 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.694 -4.530 -6.168 1.00 0.00 C ATOM 918 CZ TYR A 69 6.327 -4.600 -6.066 1.00 0.00 C ATOM 919 OH TYR A 69 5.551 -3.568 -6.540 1.00 0.00 O ATOM 0 H TYR A 69 9.631 -5.893 -3.443 1.00 0.00 H new ATOM 0 HA TYR A 69 8.120 -8.150 -2.553 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.689 -7.811 -5.139 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.248 -8.775 -4.882 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.041 -7.604 -4.593 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.537 -5.515 -5.776 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.662 -5.760 -5.414 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.164 -3.666 -6.614 1.00 0.00 H new ATOM 0 HH TYR A 69 6.128 -2.867 -6.908 1.00 0.00 H new ATOM 929 N ALA A 70 9.908 -10.120 -2.908 1.00 0.00 N ATOM 930 CA ALA A 70 10.981 -11.129 -2.778 1.00 0.00 C ATOM 931 C ALA A 70 11.474 -11.483 -4.149 1.00 0.00 C ATOM 932 O ALA A 70 12.303 -12.358 -4.339 1.00 0.00 O ATOM 933 CB ALA A 70 10.547 -12.350 -1.981 1.00 0.00 C ATOM 0 H ALA A 70 8.973 -10.509 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 70 11.802 -10.700 -2.203 1.00 0.00 H new ATOM 0 HB1 ALA A 70 11.375 -13.057 -1.918 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.254 -12.044 -0.977 1.00 0.00 H new ATOM 0 HB3 ALA A 70 9.701 -12.826 -2.476 1.00 0.00 H new ATOM 939 N PHE A 71 10.937 -10.751 -5.115 1.00 0.00 N ATOM 940 CA PHE A 71 11.519 -10.669 -6.426 1.00 0.00 C ATOM 941 C PHE A 71 12.770 -9.791 -6.249 1.00 0.00 C ATOM 942 O PHE A 71 13.628 -9.690 -7.113 1.00 0.00 O ATOM 943 CB PHE A 71 10.542 -10.003 -7.413 1.00 0.00 C ATOM 944 CG PHE A 71 9.224 -10.721 -7.572 1.00 0.00 C ATOM 945 CD1 PHE A 71 9.135 -11.879 -8.318 1.00 0.00 C ATOM 946 CD2 PHE A 71 8.077 -10.234 -6.971 1.00 0.00 C ATOM 947 CE1 PHE A 71 7.933 -12.539 -8.461 1.00 0.00 C ATOM 948 CE2 PHE A 71 6.873 -10.888 -7.110 1.00 0.00 C ATOM 949 CZ PHE A 71 6.801 -12.041 -7.857 1.00 0.00 C ATOM 0 H PHE A 71 10.085 -10.201 -5.001 1.00 0.00 H new ATOM 0 HA PHE A 71 11.755 -11.654 -6.829 1.00 0.00 H new ATOM 0 HB2 PHE A 71 10.348 -8.984 -7.080 1.00 0.00 H new ATOM 0 HB3 PHE A 71 11.023 -9.933 -8.389 1.00 0.00 H new ATOM 0 HD1 PHE A 71 10.019 -12.274 -8.796 1.00 0.00 H new ATOM 0 HD2 PHE A 71 8.126 -9.328 -6.385 1.00 0.00 H new ATOM 0 HE1 PHE A 71 7.880 -13.445 -9.046 1.00 0.00 H new ATOM 0 HE2 PHE A 71 5.987 -10.496 -6.633 1.00 0.00 H new ATOM 0 HZ PHE A 71 5.858 -12.555 -7.969 1.00 0.00 H new ATOM 959 N GLY A 72 12.807 -9.132 -5.075 1.00 0.00 N ATOM 960 CA GLY A 72 13.910 -8.337 -4.622 1.00 0.00 C ATOM 961 C GLY A 72 13.770 -6.897 -5.014 1.00 0.00 C ATOM 962 O GLY A 72 14.492 -6.021 -4.513 1.00 0.00 O ATOM 0 H GLY A 72 12.033 -9.154 -4.411 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.987 -8.410 -3.537 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.837 -8.736 -5.035 1.00 0.00 H new ATOM 966 N GLN A 73 12.796 -6.652 -5.865 1.00 0.00 N ATOM 967 CA GLN A 73 12.492 -5.335 -6.368 1.00 0.00 C ATOM 968 C GLN A 73 11.831 -4.517 -5.275 1.00 0.00 C ATOM 969 O GLN A 73 11.270 -5.076 -4.301 1.00 0.00 O ATOM 970 CB GLN A 73 11.524 -5.425 -7.545 1.00 0.00 C ATOM 971 CG GLN A 73 11.952 -6.336 -8.678 1.00 0.00 C ATOM 972 CD GLN A 73 10.943 -6.327 -9.807 1.00 0.00 C ATOM 973 OE1 GLN A 73 10.269 -5.308 -10.047 1.00 0.00 O ATOM 974 NE2 GLN A 73 10.816 -7.429 -10.499 1.00 0.00 N ATOM 0 H GLN A 73 12.183 -7.380 -6.232 1.00 0.00 H new ATOM 0 HA GLN A 73 13.422 -4.867 -6.691 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.559 -5.767 -7.173 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.374 -4.423 -7.946 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.924 -6.018 -9.055 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.072 -7.353 -8.304 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.387 -8.243 -10.271 1.00 0.00 H new ATOM 0 HE22 GLN A 73 10.146 -7.475 -11.267 1.00 0.00 H new ATOM 983 N GLU A 74 11.866 -3.234 -5.425 1.00 0.00 N ATOM 984 CA GLU A 74 11.259 -2.353 -4.489 1.00 0.00 C ATOM 985 C GLU A 74 10.435 -1.326 -5.230 1.00 0.00 C ATOM 986 O GLU A 74 10.435 -1.286 -6.468 1.00 0.00 O ATOM 987 CB GLU A 74 12.327 -1.629 -3.634 1.00 0.00 C ATOM 988 CG GLU A 74 13.162 -0.566 -4.364 1.00 0.00 C ATOM 989 CD GLU A 74 14.020 -1.119 -5.474 1.00 0.00 C ATOM 990 OE1 GLU A 74 13.513 -1.313 -6.597 1.00 0.00 O ATOM 991 OE2 GLU A 74 15.213 -1.382 -5.242 1.00 0.00 O ATOM 0 H GLU A 74 12.321 -2.766 -6.208 1.00 0.00 H new ATOM 0 HA GLU A 74 10.623 -2.940 -3.826 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.828 -1.154 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.005 -2.377 -3.224 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.492 0.188 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.802 -0.061 -3.641 1.00 0.00 H new ATOM 998 N THR A 75 9.728 -0.544 -4.491 1.00 0.00 N ATOM 999 CA THR A 75 9.029 0.592 -4.992 1.00 0.00 C ATOM 1000 C THR A 75 8.501 1.340 -3.781 1.00 0.00 C ATOM 1001 O THR A 75 8.259 0.730 -2.758 1.00 0.00 O ATOM 1002 CB THR A 75 7.875 0.213 -6.004 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.441 1.377 -6.721 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.673 -0.408 -5.305 1.00 0.00 C ATOM 0 H THR A 75 9.615 -0.681 -3.486 1.00 0.00 H new ATOM 0 HA THR A 75 9.703 1.217 -5.577 1.00 0.00 H new ATOM 0 HB THR A 75 8.290 -0.525 -6.691 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.728 1.129 -7.346 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.908 -0.650 -6.043 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.982 -1.318 -4.790 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.268 0.299 -4.581 1.00 0.00 H new ATOM 1012 N ASN A 76 8.449 2.631 -3.855 1.00 0.00 N ATOM 1013 CA ASN A 76 7.929 3.462 -2.784 1.00 0.00 C ATOM 1014 C ASN A 76 7.228 4.645 -3.383 1.00 0.00 C ATOM 1015 O ASN A 76 7.858 5.653 -3.696 1.00 0.00 O ATOM 1016 CB ASN A 76 9.018 3.854 -1.735 1.00 0.00 C ATOM 1017 CG ASN A 76 10.344 4.368 -2.315 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.502 5.561 -2.548 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.341 3.490 -2.464 1.00 0.00 N ATOM 0 H ASN A 76 8.768 3.159 -4.668 1.00 0.00 H new ATOM 0 HA ASN A 76 7.204 2.886 -2.210 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.606 4.622 -1.080 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.227 2.984 -1.113 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.258 3.808 -2.778 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.185 2.502 -2.264 1.00 0.00 H new ATOM 1026 N VAL A 77 5.905 4.540 -3.594 1.00 0.00 N ATOM 1027 CA VAL A 77 5.297 5.602 -4.435 1.00 0.00 C ATOM 1028 C VAL A 77 3.863 6.051 -4.207 1.00 0.00 C ATOM 1029 O VAL A 77 2.971 5.250 -3.994 1.00 0.00 O ATOM 1030 CB VAL A 77 5.595 5.326 -5.902 1.00 0.00 C ATOM 1031 CG1 VAL A 77 5.264 3.888 -6.293 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.995 6.319 -6.898 1.00 0.00 C ATOM 0 H VAL A 77 5.283 3.813 -3.239 1.00 0.00 H new ATOM 0 HA VAL A 77 5.800 6.496 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 77 6.672 5.475 -5.977 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.492 3.736 -7.348 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.858 3.201 -5.691 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.205 3.699 -6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.269 6.028 -7.912 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.909 6.320 -6.802 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.378 7.318 -6.691 1.00 0.00 H new ATOM 1042 N PRO A 78 3.698 7.406 -4.212 1.00 0.00 N ATOM 1043 CA PRO A 78 2.427 8.117 -4.158 1.00 0.00 C ATOM 1044 C PRO A 78 1.387 7.527 -5.077 1.00 0.00 C ATOM 1045 O PRO A 78 1.407 7.691 -6.297 1.00 0.00 O ATOM 1046 CB PRO A 78 2.794 9.542 -4.554 1.00 0.00 C ATOM 1047 CG PRO A 78 4.181 9.684 -4.048 1.00 0.00 C ATOM 1048 CD PRO A 78 4.817 8.340 -4.259 1.00 0.00 C ATOM 0 HA PRO A 78 1.966 8.056 -3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.742 9.687 -5.633 1.00 0.00 H new ATOM 0 HB3 PRO A 78 2.123 10.272 -4.101 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.719 10.463 -4.588 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.189 9.962 -2.994 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.337 8.291 -5.216 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.552 8.121 -3.485 1.00 0.00 H new ATOM 1056 N LEU A 79 0.493 6.847 -4.458 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.548 6.125 -5.093 1.00 0.00 C ATOM 1058 C LEU A 79 -1.878 6.901 -5.003 1.00 0.00 C ATOM 1059 O LEU A 79 -2.965 6.354 -5.130 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.565 4.696 -4.488 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.623 4.500 -2.947 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -1.817 5.131 -2.324 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.638 3.028 -2.630 1.00 0.00 C ATOM 0 H LEU A 79 0.466 6.775 -3.441 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.382 6.015 -6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.423 4.176 -4.913 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.328 4.183 -4.846 1.00 0.00 H new ATOM 0 HG LEU A 79 0.261 4.987 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.800 4.959 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.806 6.203 -2.520 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.722 4.694 -2.747 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.679 2.889 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.512 2.566 -3.089 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.266 2.562 -3.022 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.717 8.212 -4.853 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.801 9.225 -4.715 1.00 0.00 C ATOM 1077 C ASN A 80 -3.920 9.095 -5.745 1.00 0.00 C ATOM 1078 O ASN A 80 -5.089 9.264 -5.429 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.184 10.644 -4.770 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.181 11.825 -4.781 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -2.906 12.855 -5.393 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -4.295 11.718 -4.089 1.00 0.00 N ATOM 0 H ASN A 80 -0.789 8.635 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.273 9.043 -3.750 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.523 10.763 -3.912 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.563 10.712 -5.663 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.950 12.499 -4.053 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.503 10.854 -3.589 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.575 8.771 -6.921 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.556 8.721 -8.018 1.00 0.00 C ATOM 1091 C ASN A 81 -5.216 7.365 -8.170 1.00 0.00 C ATOM 1092 O ASN A 81 -5.842 7.095 -9.188 1.00 0.00 O ATOM 1093 CB ASN A 81 -3.943 9.168 -9.355 1.00 0.00 C ATOM 1094 CG ASN A 81 -3.598 10.643 -9.390 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -4.428 11.482 -9.755 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -2.383 10.972 -9.034 1.00 0.00 N ATOM 0 H ASN A 81 -2.622 8.527 -7.192 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.337 9.428 -7.739 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.042 8.586 -9.547 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.643 8.946 -10.161 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -2.093 11.950 -9.052 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.725 10.251 -8.738 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.125 6.532 -7.168 1.00 0.00 N ATOM 1104 CA PHE A 82 -5.736 5.244 -7.217 1.00 0.00 C ATOM 1105 C PHE A 82 -6.718 5.116 -6.064 1.00 0.00 C ATOM 1106 O PHE A 82 -6.500 5.673 -4.980 1.00 0.00 O ATOM 1107 CB PHE A 82 -4.686 4.132 -7.194 1.00 0.00 C ATOM 1108 CG PHE A 82 -3.684 4.214 -8.315 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -4.044 3.877 -9.611 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -2.385 4.627 -8.072 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -3.126 3.954 -10.642 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -1.462 4.706 -9.096 1.00 0.00 C ATOM 1113 CZ PHE A 82 -1.833 4.370 -10.384 1.00 0.00 C ATOM 0 H PHE A 82 -4.626 6.732 -6.301 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.280 5.137 -8.155 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.155 4.167 -6.243 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -5.192 3.168 -7.242 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -5.053 3.551 -9.817 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.089 4.891 -7.067 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -3.419 3.690 -11.647 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -0.452 5.030 -8.891 1.00 0.00 H new ATOM 0 HZ PHE A 82 -1.114 4.432 -11.188 1.00 0.00 H new ATOM 1123 N SER A 83 -7.794 4.441 -6.319 1.00 0.00 N ATOM 1124 CA SER A 83 -8.864 4.290 -5.361 1.00 0.00 C ATOM 1125 C SER A 83 -8.665 3.041 -4.452 1.00 0.00 C ATOM 1126 O SER A 83 -7.772 2.233 -4.685 1.00 0.00 O ATOM 1127 CB SER A 83 -10.213 4.265 -6.096 1.00 0.00 C ATOM 1128 OG SER A 83 -11.304 4.330 -5.187 1.00 0.00 O ATOM 0 H SER A 83 -7.965 3.970 -7.207 1.00 0.00 H new ATOM 0 HA SER A 83 -8.853 5.149 -4.690 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.266 5.104 -6.790 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.288 3.355 -6.691 1.00 0.00 H new ATOM 0 HG SER A 83 -12.147 4.314 -5.686 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.579 2.886 -3.474 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.520 1.904 -2.366 1.00 0.00 C ATOM 1136 C ALA A 84 -9.244 0.466 -2.820 1.00 0.00 C ATOM 1137 O ALA A 84 -8.179 -0.133 -2.551 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.867 1.918 -1.671 1.00 0.00 C ATOM 0 H ALA A 84 -10.417 3.466 -3.430 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.693 2.198 -1.719 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.859 1.204 -0.847 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -11.066 2.917 -1.283 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.646 1.643 -2.382 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.169 -0.075 -3.555 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.072 -1.462 -3.939 1.00 0.00 C ATOM 1146 C ASP A 85 -9.157 -1.659 -5.092 1.00 0.00 C ATOM 1147 O ASP A 85 -8.677 -2.773 -5.338 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.432 -2.089 -4.165 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.177 -2.257 -2.866 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -11.882 -3.217 -2.120 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -13.060 -1.428 -2.538 1.00 0.00 O ATOM 0 H ASP A 85 -10.995 0.413 -3.901 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.626 -1.992 -3.097 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -12.015 -1.466 -4.843 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.313 -3.059 -4.647 1.00 0.00 H new ATOM 1156 N GLN A 86 -8.878 -0.584 -5.782 1.00 0.00 N ATOM 1157 CA GLN A 86 -7.946 -0.630 -6.868 1.00 0.00 C ATOM 1158 C GLN A 86 -6.574 -0.755 -6.284 1.00 0.00 C ATOM 1159 O GLN A 86 -5.839 -1.611 -6.701 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.081 0.604 -7.782 1.00 0.00 C ATOM 1161 CG GLN A 86 -7.539 0.409 -9.205 1.00 0.00 C ATOM 1162 CD GLN A 86 -6.028 0.240 -9.325 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -5.553 -0.485 -10.195 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -5.272 0.946 -8.532 1.00 0.00 N ATOM 0 H GLN A 86 -9.286 0.334 -5.607 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.151 -1.490 -7.506 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -9.133 0.881 -7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.558 1.441 -7.320 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -8.019 -0.468 -9.639 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -7.838 1.267 -9.808 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -5.695 1.539 -7.818 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -4.257 0.905 -8.625 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.239 0.072 -5.284 1.00 0.00 N ATOM 1174 CA VAL A 87 -4.942 -0.049 -4.654 1.00 0.00 C ATOM 1175 C VAL A 87 -4.782 -1.422 -4.038 1.00 0.00 C ATOM 1176 O VAL A 87 -3.792 -2.058 -4.258 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.564 1.084 -3.625 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.405 2.411 -4.298 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.561 1.224 -2.540 1.00 0.00 C ATOM 0 H VAL A 87 -6.838 0.809 -4.911 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.227 0.087 -5.465 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.614 0.775 -3.190 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.145 3.166 -3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.614 2.348 -5.045 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.341 2.687 -4.784 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.250 2.018 -1.861 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.532 1.472 -2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.635 0.285 -1.991 1.00 0.00 H new ATOM 1189 N THR A 88 -5.807 -1.924 -3.358 1.00 0.00 N ATOM 1190 CA THR A 88 -5.686 -3.242 -2.731 1.00 0.00 C ATOM 1191 C THR A 88 -5.471 -4.389 -3.751 1.00 0.00 C ATOM 1192 O THR A 88 -4.559 -5.261 -3.605 1.00 0.00 O ATOM 1193 CB THR A 88 -6.886 -3.526 -1.822 1.00 0.00 C ATOM 1194 OG1 THR A 88 -8.083 -3.419 -2.574 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.936 -2.517 -0.709 1.00 0.00 C ATOM 0 H THR A 88 -6.705 -1.459 -3.227 1.00 0.00 H new ATOM 0 HA THR A 88 -4.784 -3.210 -2.120 1.00 0.00 H new ATOM 0 HB THR A 88 -6.784 -4.530 -1.409 1.00 0.00 H new ATOM 0 HG1 THR A 88 -8.851 -3.602 -1.994 1.00 0.00 H new ATOM 0 HG21 THR A 88 -7.792 -2.726 -0.067 1.00 0.00 H new ATOM 0 HG22 THR A 88 -6.019 -2.577 -0.122 1.00 0.00 H new ATOM 0 HG23 THR A 88 -7.033 -1.516 -1.129 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.251 -4.350 -4.776 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.230 -5.377 -5.810 1.00 0.00 C ATOM 1205 C ARG A 89 -4.988 -5.239 -6.657 1.00 0.00 C ATOM 1206 O ARG A 89 -4.322 -6.232 -6.947 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.486 -5.298 -6.663 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.720 -6.475 -7.577 1.00 0.00 C ATOM 1209 CD ARG A 89 -9.051 -6.328 -8.283 1.00 0.00 C ATOM 1210 NE ARG A 89 -9.450 -7.546 -8.994 1.00 0.00 N ATOM 1211 CZ ARG A 89 -10.712 -8.019 -9.026 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -11.681 -7.386 -8.356 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -11.009 -9.117 -9.721 1.00 0.00 N ATOM 0 H ARG A 89 -6.932 -3.609 -4.939 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.209 -6.357 -5.333 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.347 -5.195 -6.003 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.438 -4.393 -7.268 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -6.916 -6.542 -8.310 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.705 -7.401 -7.002 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.818 -6.070 -7.553 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.993 -5.501 -8.991 1.00 0.00 H new ATOM 0 HE ARG A 89 -8.730 -8.067 -9.494 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.465 -6.545 -7.821 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -12.636 -7.744 -8.380 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -10.278 -9.608 -10.236 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -11.967 -9.466 -9.738 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.660 -4.011 -7.027 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.441 -3.748 -7.780 1.00 0.00 C ATOM 1229 C ALA A 90 -2.243 -4.108 -6.956 1.00 0.00 C ATOM 1230 O ALA A 90 -1.257 -4.528 -7.516 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.349 -2.315 -8.259 1.00 0.00 C ATOM 0 H ALA A 90 -5.218 -3.183 -6.820 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.469 -4.373 -8.672 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.421 -2.176 -8.814 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.197 -2.093 -8.907 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.363 -1.643 -7.401 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.330 -3.943 -5.608 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.278 -4.442 -4.722 1.00 0.00 C ATOM 1239 C LEU A 91 -1.088 -5.881 -4.973 1.00 0.00 C ATOM 1240 O LEU A 91 -0.026 -6.298 -5.338 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.560 -4.260 -3.208 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.833 -3.089 -2.499 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -1.085 -1.754 -3.158 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.210 -3.036 -1.034 1.00 0.00 C ATOM 0 H LEU A 91 -3.104 -3.478 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.393 -3.848 -4.952 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.633 -4.124 -3.076 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.291 -5.185 -2.698 1.00 0.00 H new ATOM 0 HG LEU A 91 0.235 -3.287 -2.588 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.550 -0.974 -2.616 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.734 -1.785 -4.190 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.153 -1.537 -3.144 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.689 -2.207 -0.554 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.286 -2.891 -0.940 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -0.926 -3.971 -0.551 1.00 0.00 H new ATOM 1256 N GLU A 92 -2.149 -6.632 -4.852 1.00 0.00 N ATOM 1257 CA GLU A 92 -2.056 -8.084 -5.000 1.00 0.00 C ATOM 1258 C GLU A 92 -1.521 -8.430 -6.384 1.00 0.00 C ATOM 1259 O GLU A 92 -0.627 -9.285 -6.509 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.419 -8.721 -4.707 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.440 -10.209 -4.347 1.00 0.00 C ATOM 1262 CD GLU A 92 -3.013 -11.140 -5.443 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -3.550 -11.060 -6.556 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -2.177 -12.018 -5.184 1.00 0.00 O ATOM 0 H GLU A 92 -3.086 -6.280 -4.653 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.350 -8.495 -4.278 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.879 -8.170 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.053 -8.577 -5.582 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.791 -10.367 -3.486 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.450 -10.477 -4.038 1.00 0.00 H new ATOM 1271 N ASN A 93 -2.032 -7.740 -7.387 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.548 -7.860 -8.754 1.00 0.00 C ATOM 1273 C ASN A 93 -0.023 -7.698 -8.766 1.00 0.00 C ATOM 1274 O ASN A 93 0.746 -8.699 -8.988 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.197 -6.765 -9.643 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.591 -7.077 -10.193 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -3.943 -6.617 -11.274 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.403 -7.807 -9.474 1.00 0.00 N ATOM 0 H ASN A 93 -2.799 -7.076 -7.278 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.816 -8.840 -9.148 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.256 -5.844 -9.063 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.533 -6.570 -10.485 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.346 -8.002 -9.810 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.093 -8.181 -8.577 1.00 0.00 H new ATOM 1285 N VAL A 94 0.412 -6.483 -8.391 1.00 0.00 N ATOM 1286 CA VAL A 94 1.802 -6.115 -8.407 1.00 0.00 C ATOM 1287 C VAL A 94 2.674 -6.981 -7.617 1.00 0.00 C ATOM 1288 O VAL A 94 3.723 -7.427 -8.108 1.00 0.00 O ATOM 1289 CB VAL A 94 2.139 -4.642 -8.083 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.704 -3.698 -9.183 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.631 -4.161 -6.733 1.00 0.00 C ATOM 0 H VAL A 94 -0.208 -5.739 -8.070 1.00 0.00 H new ATOM 0 HA VAL A 94 2.013 -6.260 -9.466 1.00 0.00 H new ATOM 0 HB VAL A 94 3.227 -4.625 -8.020 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.963 -2.675 -8.908 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.210 -3.963 -10.111 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.626 -3.774 -9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.912 -3.118 -6.589 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.545 -4.252 -6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 94 2.071 -4.768 -5.942 1.00 0.00 H new ATOM 1301 N LEU A 95 2.267 -7.284 -6.461 1.00 0.00 N ATOM 1302 CA LEU A 95 3.186 -7.892 -5.596 1.00 0.00 C ATOM 1303 C LEU A 95 3.257 -9.342 -5.633 1.00 0.00 C ATOM 1304 O LEU A 95 4.320 -9.893 -5.382 1.00 0.00 O ATOM 1305 CB LEU A 95 3.148 -7.324 -4.205 1.00 0.00 C ATOM 1306 CG LEU A 95 1.797 -7.327 -3.479 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.331 -8.693 -3.007 1.00 0.00 C ATOM 1308 CD2 LEU A 95 1.790 -6.342 -2.375 1.00 0.00 C ATOM 0 H LEU A 95 1.329 -7.129 -6.092 1.00 0.00 H new ATOM 0 HA LEU A 95 4.147 -7.609 -6.025 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.860 -7.880 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.503 -6.295 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 95 1.065 -7.029 -4.230 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.368 -8.596 -2.506 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.228 -9.359 -3.864 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.062 -9.107 -2.312 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.822 -6.363 -1.875 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.573 -6.592 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.970 -5.345 -2.776 1.00 0.00 H new ATOM 1320 N SER A 96 2.197 -9.978 -5.901 1.00 0.00 N ATOM 1321 CA SER A 96 2.291 -11.367 -5.930 1.00 0.00 C ATOM 1322 C SER A 96 2.923 -11.784 -7.241 1.00 0.00 C ATOM 1323 O SER A 96 3.660 -12.780 -7.288 1.00 0.00 O ATOM 1324 CB SER A 96 0.956 -12.025 -5.710 1.00 0.00 C ATOM 1325 OG SER A 96 0.334 -11.545 -4.526 1.00 0.00 O ATOM 0 H SER A 96 1.281 -9.575 -6.098 1.00 0.00 H new ATOM 0 HA SER A 96 2.923 -11.702 -5.108 1.00 0.00 H new ATOM 0 HB2 SER A 96 0.309 -11.835 -6.566 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.087 -13.105 -5.643 1.00 0.00 H new ATOM 0 HG SER A 96 -0.627 -11.437 -4.682 1.00 0.00 H new ATOM 1331 N GLY A 97 2.679 -11.008 -8.319 1.00 0.00 N ATOM 1332 CA GLY A 97 3.338 -11.375 -9.519 1.00 0.00 C ATOM 1333 C GLY A 97 3.244 -10.380 -10.621 1.00 0.00 C ATOM 1334 O GLY A 97 2.984 -10.776 -11.768 1.00 0.00 O ATOM 0 H GLY A 97 2.072 -10.189 -8.356 1.00 0.00 H new ATOM 0 HA2 GLY A 97 4.391 -11.551 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 97 2.924 -12.321 -9.868 1.00 0.00 H new ATOM 1338 N LYS A 98 3.368 -9.088 -10.336 1.00 0.00 N ATOM 1339 CA LYS A 98 3.409 -8.153 -11.487 1.00 0.00 C ATOM 1340 C LYS A 98 4.825 -7.802 -11.742 1.00 0.00 C ATOM 1341 O LYS A 98 5.321 -7.833 -12.875 1.00 0.00 O ATOM 1342 CB LYS A 98 2.563 -6.914 -11.245 1.00 0.00 C ATOM 1343 CG LYS A 98 2.212 -6.018 -12.451 1.00 0.00 C ATOM 1344 CD LYS A 98 3.383 -5.189 -12.957 1.00 0.00 C ATOM 1345 CE LYS A 98 2.972 -4.286 -14.110 1.00 0.00 C ATOM 1346 NZ LYS A 98 4.104 -3.462 -14.574 1.00 0.00 N ATOM 0 H LYS A 98 3.438 -8.675 -9.406 1.00 0.00 H new ATOM 0 HA LYS A 98 2.981 -8.638 -12.364 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.628 -7.235 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.082 -6.296 -10.512 1.00 0.00 H new ATOM 0 HG2 LYS A 98 1.844 -6.645 -13.263 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.398 -5.349 -12.171 1.00 0.00 H new ATOM 0 HD2 LYS A 98 3.779 -4.583 -12.143 1.00 0.00 H new ATOM 0 HD3 LYS A 98 4.186 -5.851 -13.281 1.00 0.00 H new ATOM 0 HE2 LYS A 98 2.599 -4.893 -14.935 1.00 0.00 H new ATOM 0 HE3 LYS A 98 2.154 -3.639 -13.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 3.793 -2.857 -15.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.443 -2.866 -13.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.875 -4.081 -14.897 1.00 0.00 H new ATOM 1360 N ALA A 99 5.423 -7.456 -10.669 1.00 0.00 N ATOM 1361 CA ALA A 99 6.792 -7.021 -10.574 1.00 0.00 C ATOM 1362 C ALA A 99 7.754 -8.067 -11.112 1.00 0.00 C ATOM 1363 O ALA A 99 8.436 -7.794 -12.127 1.00 0.00 O ATOM 1364 CB ALA A 99 7.113 -6.673 -9.137 1.00 0.00 C ATOM 1365 OXT ALA A 99 7.808 -9.178 -10.558 1.00 0.00 O ATOM 0 H ALA A 99 4.953 -7.464 -9.764 1.00 0.00 H new ATOM 0 HA ALA A 99 6.916 -6.132 -11.193 1.00 0.00 H new ATOM 0 HB1 ALA A 99 8.150 -6.344 -9.065 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.454 -5.873 -8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 99 6.967 -7.552 -8.509 1.00 0.00 H new