USER MOD reduce.3.24.130724 H: found=0, std=0, add=688, rem=0, adj=12 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 -20:sc= -2.27! USER MOD Set 1.2: A 62 GLN : amide:sc= 1.45 K(o=-0.98,f=-8!) USER MOD Set 1.3: A 80 ASN : amide:sc= -0.157 K(o=-0.98,f=-0.43) USER MOD Set 2.1: A 69 TYR OH : rot 163:sc= 0.16 USER MOD Set 2.2: A 75 THR OG1 : rot 24:sc= 1.37 USER MOD Set 3.1: A 59 SER OG : rot 180:sc= 0.916 USER MOD Set 3.2: A 64 LYS NZ :NH3+ 160:sc= 0.93! (180deg=-2.39!) USER MOD Single : A 22 HIS : no HD1:sc= -2.14 K(o=-2.1,f=-4.5!) USER MOD Single : A 25 GLN : amide:sc= -0.0802 X(o=-0.08,f=-0.54) USER MOD Single : A 27 SER OG : rot -150:sc= -0.374 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 39 LYS NZ :NH3+ 173:sc= 1.27 (180deg=1.16) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 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= -4.55! C(o=-4.6!,f=-5.8!) USER MOD Single : A 73 GLN : amide:sc= -0.195 X(o=-0.19,f=0) USER MOD Single : A 76 ASN : amide:sc= -1.67! K(o=-1.7!,f=-0.94) USER MOD Single : A 81 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0.268 USER MOD Single : A 86 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.72) USER MOD Single : A 88 THR OG1 : rot -82:sc= 0.797 USER MOD Single : A 93 ASN : amide:sc= -0.0971 K(o=-0.097,f=-1.5!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.0624 USER MOD Single : A 98 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0126) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 15 3.055 -12.105 -1.179 1.00 0.00 N ATOM 2 CA GLY A 15 3.846 -12.399 -2.380 1.00 0.00 C ATOM 3 C GLY A 15 5.207 -11.816 -2.224 1.00 0.00 C ATOM 4 O GLY A 15 6.224 -12.511 -2.328 1.00 0.00 O ATOM 0 HA2 GLY A 15 3.914 -13.476 -2.531 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.358 -11.984 -3.262 1.00 0.00 H new ATOM 8 N LEU A 16 5.220 -10.529 -1.961 1.00 0.00 N ATOM 9 CA LEU A 16 6.397 -9.793 -1.689 1.00 0.00 C ATOM 10 C LEU A 16 6.899 -10.017 -0.281 1.00 0.00 C ATOM 11 O LEU A 16 6.424 -10.883 0.426 1.00 0.00 O ATOM 12 CB LEU A 16 6.137 -8.308 -1.931 1.00 0.00 C ATOM 13 CG LEU A 16 4.815 -7.680 -1.444 1.00 0.00 C ATOM 14 CD1 LEU A 16 4.541 -7.926 0.024 1.00 0.00 C ATOM 15 CD2 LEU A 16 4.886 -6.208 -1.682 1.00 0.00 C ATOM 0 H LEU A 16 4.373 -9.962 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 16 7.176 -10.147 -2.364 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.953 -7.754 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.205 -8.135 -3.005 1.00 0.00 H new ATOM 0 HG LEU A 16 4.002 -8.148 -2.000 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.597 -7.458 0.301 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.482 -8.999 0.208 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.347 -7.499 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.961 -5.740 -1.345 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.727 -5.790 -1.128 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.022 -6.018 -2.747 1.00 0.00 H new ATOM 27 N ARG A 17 7.819 -9.197 0.124 1.00 0.00 N ATOM 28 CA ARG A 17 8.385 -9.290 1.440 1.00 0.00 C ATOM 29 C ARG A 17 8.032 -8.084 2.278 1.00 0.00 C ATOM 30 O ARG A 17 8.285 -8.087 3.488 1.00 0.00 O ATOM 31 CB ARG A 17 9.895 -9.422 1.384 1.00 0.00 C ATOM 32 CG ARG A 17 10.390 -10.647 0.672 1.00 0.00 C ATOM 33 CD ARG A 17 11.892 -10.789 0.815 1.00 0.00 C ATOM 34 NE ARG A 17 12.400 -11.963 0.100 1.00 0.00 N ATOM 35 CZ ARG A 17 12.479 -13.206 0.607 1.00 0.00 C ATOM 36 NH1 ARG A 17 12.045 -13.466 1.838 1.00 0.00 N ATOM 37 NH2 ARG A 17 12.979 -14.179 -0.125 1.00 0.00 N ATOM 0 H ARG A 17 8.201 -8.443 -0.447 1.00 0.00 H new ATOM 0 HA ARG A 17 7.962 -10.184 1.899 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.305 -8.541 0.891 1.00 0.00 H new ATOM 0 HB3 ARG A 17 10.284 -9.428 2.402 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.897 -11.531 1.077 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.125 -10.590 -0.384 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.380 -9.892 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 17 12.150 -10.867 1.871 1.00 0.00 H new ATOM 0 HE ARG A 17 12.719 -11.826 -0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.647 -12.719 2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.110 -14.413 2.212 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.305 -13.989 -1.073 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.041 -15.123 0.255 1.00 0.00 H new ATOM 51 N GLU A 18 7.500 -7.021 1.656 1.00 0.00 N ATOM 52 CA GLU A 18 7.161 -5.831 2.470 1.00 0.00 C ATOM 53 C GLU A 18 6.205 -4.834 1.771 1.00 0.00 C ATOM 54 O GLU A 18 6.412 -4.527 0.586 1.00 0.00 O ATOM 55 CB GLU A 18 8.470 -5.073 2.746 1.00 0.00 C ATOM 56 CG GLU A 18 8.368 -3.951 3.748 1.00 0.00 C ATOM 57 CD GLU A 18 8.041 -4.454 5.123 1.00 0.00 C ATOM 58 OE1 GLU A 18 6.897 -4.776 5.390 1.00 0.00 O ATOM 59 OE2 GLU A 18 8.960 -4.530 5.964 1.00 0.00 O ATOM 0 H GLU A 18 7.303 -6.952 0.658 1.00 0.00 H new ATOM 0 HA GLU A 18 6.657 -6.194 3.365 1.00 0.00 H new ATOM 0 HB2 GLU A 18 9.215 -5.786 3.099 1.00 0.00 H new ATOM 0 HB3 GLU A 18 8.839 -4.665 1.805 1.00 0.00 H new ATOM 0 HG2 GLU A 18 9.310 -3.404 3.777 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.600 -3.247 3.427 1.00 0.00 H new ATOM 66 N ILE A 19 5.148 -4.363 2.493 1.00 0.00 N ATOM 67 CA ILE A 19 4.399 -3.163 2.083 1.00 0.00 C ATOM 68 C ILE A 19 4.318 -2.185 3.231 1.00 0.00 C ATOM 69 O ILE A 19 3.812 -2.489 4.318 1.00 0.00 O ATOM 70 CB ILE A 19 2.974 -3.426 1.481 1.00 0.00 C ATOM 71 CG1 ILE A 19 3.055 -3.781 0.001 1.00 0.00 C ATOM 72 CG2 ILE A 19 1.986 -2.259 1.703 1.00 0.00 C ATOM 73 CD1 ILE A 19 3.510 -2.651 -0.886 1.00 0.00 C ATOM 0 H ILE A 19 4.807 -4.798 3.350 1.00 0.00 H new ATOM 0 HA ILE A 19 4.971 -2.741 1.257 1.00 0.00 H new ATOM 0 HB ILE A 19 2.576 -4.279 2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 19 3.739 -4.621 -0.122 1.00 0.00 H new ATOM 0 HG13 ILE A 19 2.074 -4.117 -0.334 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.022 -2.510 1.261 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.861 -2.086 2.772 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.377 -1.357 1.233 1.00 0.00 H new ATOM 0 HD11 ILE A 19 3.539 -2.990 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 19 2.815 -1.816 -0.797 1.00 0.00 H new ATOM 0 HD13 ILE A 19 4.506 -2.328 -0.582 1.00 0.00 H new ATOM 85 N ARG A 20 4.833 -1.036 2.995 1.00 0.00 N ATOM 86 CA ARG A 20 4.810 0.024 3.945 1.00 0.00 C ATOM 87 C ARG A 20 4.153 1.222 3.315 1.00 0.00 C ATOM 88 O ARG A 20 4.730 1.900 2.459 1.00 0.00 O ATOM 89 CB ARG A 20 6.213 0.376 4.442 1.00 0.00 C ATOM 90 CG ARG A 20 6.930 -0.771 5.127 1.00 0.00 C ATOM 91 CD ARG A 20 8.312 -0.365 5.590 1.00 0.00 C ATOM 92 NE ARG A 20 9.070 -1.510 6.092 1.00 0.00 N ATOM 93 CZ ARG A 20 10.394 -1.542 6.272 1.00 0.00 C ATOM 94 NH1 ARG A 20 11.134 -0.470 6.049 1.00 0.00 N ATOM 95 NH2 ARG A 20 10.976 -2.666 6.650 1.00 0.00 N ATOM 0 H ARG A 20 5.294 -0.796 2.117 1.00 0.00 H new ATOM 0 HA ARG A 20 4.241 -0.299 4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 20 6.813 0.713 3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 20 6.142 1.213 5.136 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.344 -1.109 5.981 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.008 -1.614 4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.853 0.095 4.763 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.227 0.388 6.374 1.00 0.00 H new ATOM 0 HE ARG A 20 8.545 -2.353 6.324 1.00 0.00 H new ATOM 0 HH11 ARG A 20 10.696 0.396 5.735 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.143 -0.509 6.190 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.415 -3.504 6.803 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.986 -2.696 6.789 1.00 0.00 H new ATOM 109 N ILE A 21 2.951 1.462 3.704 1.00 0.00 N ATOM 110 CA ILE A 21 2.194 2.566 3.186 1.00 0.00 C ATOM 111 C ILE A 21 2.669 3.799 3.839 1.00 0.00 C ATOM 112 O ILE A 21 2.769 3.845 5.032 1.00 0.00 O ATOM 113 CB ILE A 21 0.718 2.510 3.558 1.00 0.00 C ATOM 114 CG1 ILE A 21 0.366 1.273 4.371 1.00 0.00 C ATOM 115 CG2 ILE A 21 -0.154 2.628 2.316 1.00 0.00 C ATOM 116 CD1 ILE A 21 -0.945 1.396 5.081 1.00 0.00 C ATOM 0 H ILE A 21 2.454 0.899 4.395 1.00 0.00 H new ATOM 0 HA ILE A 21 2.317 2.534 2.103 1.00 0.00 H new ATOM 0 HB ILE A 21 0.516 3.366 4.202 1.00 0.00 H new ATOM 0 HG12 ILE A 21 0.336 0.407 3.710 1.00 0.00 H new ATOM 0 HG13 ILE A 21 1.153 1.089 5.102 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.205 2.586 2.604 1.00 0.00 H new ATOM 0 HG22 ILE A 21 0.048 3.576 1.818 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.069 1.806 1.635 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -1.141 0.483 5.644 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -0.910 2.244 5.765 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.740 1.551 4.352 1.00 0.00 H new ATOM 128 N HIS A 22 2.958 4.767 3.095 1.00 0.00 N ATOM 129 CA HIS A 22 3.273 6.034 3.658 1.00 0.00 C ATOM 130 C HIS A 22 1.969 6.786 3.669 1.00 0.00 C ATOM 131 O HIS A 22 1.349 6.946 2.625 1.00 0.00 O ATOM 132 CB HIS A 22 4.373 6.752 2.834 1.00 0.00 C ATOM 133 CG HIS A 22 5.696 6.013 2.840 1.00 0.00 C ATOM 134 ND1 HIS A 22 6.525 5.873 1.731 1.00 0.00 N ATOM 135 CD2 HIS A 22 6.328 5.363 3.847 1.00 0.00 C ATOM 136 CE1 HIS A 22 7.586 5.164 2.081 1.00 0.00 C ATOM 137 NE2 HIS A 22 7.490 4.849 3.347 1.00 0.00 N ATOM 0 H HIS A 22 2.989 4.727 2.076 1.00 0.00 H new ATOM 0 HA HIS A 22 3.687 5.956 4.663 1.00 0.00 H new ATOM 0 HB2 HIS A 22 4.032 6.866 1.805 1.00 0.00 H new ATOM 0 HB3 HIS A 22 4.522 7.755 3.234 1.00 0.00 H new ATOM 0 HD2 HIS A 22 5.976 5.268 4.863 1.00 0.00 H new ATOM 0 HE1 HIS A 22 8.400 4.890 1.427 1.00 0.00 H new ATOM 0 HE2 HIS A 22 8.173 4.307 3.876 1.00 0.00 H new ATOM 146 N LEU A 23 1.530 7.178 4.836 1.00 0.00 N ATOM 147 CA LEU A 23 0.235 7.783 4.982 1.00 0.00 C ATOM 148 C LEU A 23 0.329 9.282 5.330 1.00 0.00 C ATOM 149 O LEU A 23 1.022 10.031 4.632 1.00 0.00 O ATOM 150 CB LEU A 23 -0.596 6.956 6.006 1.00 0.00 C ATOM 151 CG LEU A 23 -2.076 7.333 6.207 1.00 0.00 C ATOM 152 CD1 LEU A 23 -2.823 7.323 4.890 1.00 0.00 C ATOM 153 CD2 LEU A 23 -2.725 6.378 7.190 1.00 0.00 C ATOM 0 H LEU A 23 2.056 7.087 5.705 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.289 7.759 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.556 5.910 5.702 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.099 7.026 6.974 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.121 8.344 6.611 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.865 7.593 5.061 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -2.369 8.043 4.209 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.773 6.327 4.451 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.771 6.652 7.326 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.663 5.361 6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.207 6.434 8.148 1.00 0.00 H new ATOM 165 N CYS A 24 -0.301 9.663 6.450 1.00 0.00 N ATOM 166 CA CYS A 24 -0.518 11.049 6.894 1.00 0.00 C ATOM 167 C CYS A 24 -1.676 11.678 6.138 1.00 0.00 C ATOM 168 O CYS A 24 -2.135 11.149 5.128 1.00 0.00 O ATOM 169 CB CYS A 24 0.702 11.971 6.732 1.00 0.00 C ATOM 170 SG CYS A 24 2.192 11.562 7.686 1.00 0.00 S ATOM 0 H CYS A 24 -0.692 8.983 7.102 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.728 10.965 7.960 1.00 0.00 H new ATOM 0 HB2 CYS A 24 0.973 11.989 5.676 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.398 12.983 7.000 1.00 0.00 H new ATOM 175 N GLN A 25 -2.168 12.769 6.675 1.00 0.00 N ATOM 176 CA GLN A 25 -3.124 13.625 6.005 1.00 0.00 C ATOM 177 C GLN A 25 -2.600 15.045 6.130 1.00 0.00 C ATOM 178 O GLN A 25 -3.005 15.809 7.013 1.00 0.00 O ATOM 179 CB GLN A 25 -4.546 13.517 6.591 1.00 0.00 C ATOM 180 CG GLN A 25 -5.209 12.150 6.454 1.00 0.00 C ATOM 181 CD GLN A 25 -5.378 11.686 5.007 1.00 0.00 C ATOM 182 OE1 GLN A 25 -5.523 12.489 4.077 1.00 0.00 O ATOM 183 NE2 GLN A 25 -5.403 10.394 4.813 1.00 0.00 N ATOM 0 H GLN A 25 -1.912 13.095 7.607 1.00 0.00 H new ATOM 0 HA GLN A 25 -3.218 13.317 4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.505 13.778 7.649 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.179 14.259 6.104 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.615 11.413 6.995 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -6.188 12.182 6.932 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.280 9.758 5.601 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.545 10.022 3.874 1.00 0.00 H new ATOM 192 N ARG A 26 -1.633 15.351 5.310 1.00 0.00 N ATOM 193 CA ARG A 26 -0.928 16.602 5.367 1.00 0.00 C ATOM 194 C ARG A 26 -0.660 17.186 3.978 1.00 0.00 C ATOM 195 O ARG A 26 -0.908 18.368 3.752 1.00 0.00 O ATOM 196 CB ARG A 26 0.334 16.476 6.263 1.00 0.00 C ATOM 197 CG ARG A 26 1.283 15.330 5.917 1.00 0.00 C ATOM 198 CD ARG A 26 2.410 15.749 4.997 1.00 0.00 C ATOM 199 NE ARG A 26 3.387 16.613 5.674 1.00 0.00 N ATOM 200 CZ ARG A 26 4.420 17.217 5.065 1.00 0.00 C ATOM 201 NH1 ARG A 26 4.516 17.200 3.741 1.00 0.00 N ATOM 202 NH2 ARG A 26 5.332 17.864 5.778 1.00 0.00 N ATOM 0 H ARG A 26 -1.307 14.728 4.571 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.572 17.340 5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 26 0.890 17.412 6.209 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.012 16.356 7.297 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.705 14.925 6.837 1.00 0.00 H new ATOM 0 HG3 ARG A 26 0.717 14.527 5.445 1.00 0.00 H new ATOM 0 HD2 ARG A 26 2.915 14.861 4.616 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.997 16.275 4.136 1.00 0.00 H new ATOM 0 HE ARG A 26 3.272 16.764 6.676 1.00 0.00 H new ATOM 0 HH11 ARG A 26 3.804 16.727 3.184 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.302 17.660 3.281 1.00 0.00 H new ATOM 0 HH21 ARG A 26 5.251 17.904 6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 26 6.115 18.321 5.310 1.00 0.00 H new ATOM 216 N SER A 27 -0.178 16.384 3.037 1.00 0.00 N ATOM 217 CA SER A 27 -0.005 16.886 1.697 1.00 0.00 C ATOM 218 C SER A 27 -1.186 16.371 0.842 1.00 0.00 C ATOM 219 O SER A 27 -2.112 15.814 1.453 1.00 0.00 O ATOM 220 CB SER A 27 1.362 16.446 1.208 1.00 0.00 C ATOM 221 OG SER A 27 2.363 16.953 2.083 1.00 0.00 O ATOM 0 H SER A 27 0.091 15.410 3.178 1.00 0.00 H new ATOM 0 HA SER A 27 -0.024 17.974 1.636 1.00 0.00 H new ATOM 0 HB2 SER A 27 1.414 15.358 1.170 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.532 16.809 0.194 1.00 0.00 H new ATOM 0 HG SER A 27 3.191 17.104 1.581 1.00 0.00 H new ATOM 227 N PRO A 28 -1.222 16.613 -0.548 1.00 0.00 N ATOM 228 CA PRO A 28 -2.274 16.136 -1.465 1.00 0.00 C ATOM 229 C PRO A 28 -3.107 14.961 -0.940 1.00 0.00 C ATOM 230 O PRO A 28 -2.671 13.795 -0.959 1.00 0.00 O ATOM 231 CB PRO A 28 -1.441 15.783 -2.692 1.00 0.00 C ATOM 232 CG PRO A 28 -0.501 16.941 -2.782 1.00 0.00 C ATOM 233 CD PRO A 28 -0.254 17.409 -1.345 1.00 0.00 C ATOM 0 HA PRO A 28 -3.057 16.874 -1.639 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.912 14.838 -2.566 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.056 15.687 -3.587 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.433 16.647 -3.261 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -0.929 17.743 -3.384 1.00 0.00 H new ATOM 0 HD2 PRO A 28 0.773 17.221 -1.033 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -0.429 18.479 -1.236 1.00 0.00 H new ATOM 241 N GLY A 29 -4.292 15.332 -0.418 1.00 0.00 N ATOM 242 CA GLY A 29 -5.213 14.436 0.260 1.00 0.00 C ATOM 243 C GLY A 29 -5.410 13.130 -0.433 1.00 0.00 C ATOM 244 O GLY A 29 -5.629 13.090 -1.655 1.00 0.00 O ATOM 0 H GLY A 29 -4.633 16.292 -0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -4.845 14.248 1.269 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.179 14.932 0.360 1.00 0.00 H new ATOM 248 N SER A 30 -5.332 12.061 0.318 1.00 0.00 N ATOM 249 CA SER A 30 -5.415 10.769 -0.257 1.00 0.00 C ATOM 250 C SER A 30 -6.522 9.931 0.371 1.00 0.00 C ATOM 251 O SER A 30 -6.391 9.297 1.461 1.00 0.00 O ATOM 252 CB SER A 30 -4.100 10.098 -0.177 1.00 0.00 C ATOM 253 OG SER A 30 -3.060 10.978 -0.575 1.00 0.00 O ATOM 0 H SER A 30 -5.211 12.074 1.331 1.00 0.00 H new ATOM 0 HA SER A 30 -5.682 10.880 -1.308 1.00 0.00 H new ATOM 0 HB2 SER A 30 -3.923 9.756 0.843 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.098 9.214 -0.815 1.00 0.00 H new ATOM 0 HG SER A 30 -3.436 11.708 -1.110 1.00 0.00 H new ATOM 259 N GLN A 31 -7.549 9.850 -0.368 1.00 0.00 N ATOM 260 CA GLN A 31 -8.788 9.286 0.078 1.00 0.00 C ATOM 261 C GLN A 31 -8.814 7.853 -0.286 1.00 0.00 C ATOM 262 O GLN A 31 -9.333 7.037 0.444 1.00 0.00 O ATOM 263 CB GLN A 31 -9.982 10.050 -0.510 1.00 0.00 C ATOM 264 CG GLN A 31 -10.079 9.987 -2.021 1.00 0.00 C ATOM 265 CD GLN A 31 -11.133 10.886 -2.600 1.00 0.00 C ATOM 266 OE1 GLN A 31 -12.147 11.180 -1.970 1.00 0.00 O ATOM 267 NE2 GLN A 31 -10.919 11.305 -3.812 1.00 0.00 N ATOM 0 H GLN A 31 -7.571 10.179 -1.333 1.00 0.00 H new ATOM 0 HA GLN A 31 -8.868 9.375 1.161 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -10.901 9.650 -0.082 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -9.916 11.094 -0.205 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.113 10.254 -2.449 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -10.287 8.960 -2.320 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -10.064 11.038 -4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.606 11.901 -4.274 1.00 0.00 H new ATOM 276 N GLY A 32 -8.183 7.548 -1.407 1.00 0.00 N ATOM 277 CA GLY A 32 -8.093 6.207 -1.848 1.00 0.00 C ATOM 278 C GLY A 32 -7.214 5.444 -0.934 1.00 0.00 C ATOM 279 O GLY A 32 -7.486 4.277 -0.626 1.00 0.00 O ATOM 0 H GLY A 32 -7.730 8.229 -2.016 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -9.085 5.755 -1.877 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.697 6.173 -2.863 1.00 0.00 H new ATOM 283 N VAL A 33 -6.178 6.119 -0.424 1.00 0.00 N ATOM 284 CA VAL A 33 -5.320 5.436 0.508 1.00 0.00 C ATOM 285 C VAL A 33 -6.069 5.269 1.817 1.00 0.00 C ATOM 286 O VAL A 33 -6.124 4.199 2.316 1.00 0.00 O ATOM 287 CB VAL A 33 -3.887 6.052 0.714 1.00 0.00 C ATOM 288 CG1 VAL A 33 -3.887 7.336 1.490 1.00 0.00 C ATOM 289 CG2 VAL A 33 -2.952 5.047 1.361 1.00 0.00 C ATOM 0 H VAL A 33 -5.933 7.086 -0.635 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.091 4.467 0.065 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.525 6.295 -0.285 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.865 7.700 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.486 8.079 0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.310 7.163 2.479 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.968 5.497 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.349 4.753 2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.866 4.167 0.723 1.00 0.00 H new ATOM 299 N ARG A 34 -6.683 6.356 2.330 1.00 0.00 N ATOM 300 CA ARG A 34 -7.549 6.315 3.529 1.00 0.00 C ATOM 301 C ARG A 34 -8.534 5.164 3.461 1.00 0.00 C ATOM 302 O ARG A 34 -8.640 4.370 4.381 1.00 0.00 O ATOM 303 CB ARG A 34 -8.368 7.566 3.614 1.00 0.00 C ATOM 304 CG ARG A 34 -9.133 7.677 4.916 1.00 0.00 C ATOM 305 CD ARG A 34 -10.012 8.888 4.936 1.00 0.00 C ATOM 306 NE ARG A 34 -10.839 8.936 6.139 1.00 0.00 N ATOM 307 CZ ARG A 34 -11.356 10.055 6.658 1.00 0.00 C ATOM 308 NH1 ARG A 34 -11.091 11.231 6.108 1.00 0.00 N ATOM 309 NH2 ARG A 34 -12.144 9.991 7.717 1.00 0.00 N ATOM 0 H ARG A 34 -6.593 7.288 1.925 1.00 0.00 H new ATOM 0 HA ARG A 34 -6.890 6.203 4.390 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -7.714 8.431 3.507 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -9.071 7.592 2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -9.740 6.783 5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.431 7.722 5.749 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -9.396 9.786 4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.652 8.887 4.054 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.036 8.056 6.616 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -10.490 11.286 5.285 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -11.488 12.082 6.507 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.358 9.088 8.139 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -12.538 10.845 8.112 1.00 0.00 H new ATOM 323 N ASP A 35 -9.254 5.112 2.369 1.00 0.00 N ATOM 324 CA ASP A 35 -10.234 4.057 2.118 1.00 0.00 C ATOM 325 C ASP A 35 -9.603 2.710 2.234 1.00 0.00 C ATOM 326 O ASP A 35 -10.169 1.810 2.857 1.00 0.00 O ATOM 327 CB ASP A 35 -10.921 4.210 0.766 1.00 0.00 C ATOM 328 CG ASP A 35 -12.048 5.228 0.731 1.00 0.00 C ATOM 329 OD1 ASP A 35 -12.952 5.182 1.603 1.00 0.00 O ATOM 330 OD2 ASP A 35 -12.104 6.053 -0.209 1.00 0.00 O ATOM 0 H ASP A 35 -9.185 5.799 1.618 1.00 0.00 H new ATOM 0 HA ASP A 35 -11.005 4.154 2.883 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -10.173 4.492 0.025 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -11.318 3.240 0.465 1.00 0.00 H new ATOM 335 N PHE A 36 -8.446 2.564 1.631 1.00 0.00 N ATOM 336 CA PHE A 36 -7.628 1.390 1.810 1.00 0.00 C ATOM 337 C PHE A 36 -7.432 1.160 3.305 1.00 0.00 C ATOM 338 O PHE A 36 -7.929 0.192 3.843 1.00 0.00 O ATOM 339 CB PHE A 36 -6.296 1.572 0.988 1.00 0.00 C ATOM 340 CG PHE A 36 -5.006 0.847 1.415 1.00 0.00 C ATOM 341 CD1 PHE A 36 -4.437 1.036 2.665 1.00 0.00 C ATOM 342 CD2 PHE A 36 -4.342 0.025 0.526 1.00 0.00 C ATOM 343 CE1 PHE A 36 -3.262 0.414 3.006 1.00 0.00 C ATOM 344 CE2 PHE A 36 -3.155 -0.589 0.860 1.00 0.00 C ATOM 345 CZ PHE A 36 -2.615 -0.396 2.103 1.00 0.00 C ATOM 0 H PHE A 36 -8.046 3.259 1.001 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.099 0.487 1.422 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.508 1.272 -0.038 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -6.074 2.639 0.969 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.925 1.682 3.380 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.763 -0.140 -0.455 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.843 0.562 3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.652 -1.221 0.143 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.686 -0.877 2.373 1.00 0.00 H new ATOM 355 N ILE A 37 -6.880 2.155 3.943 1.00 0.00 N ATOM 356 CA ILE A 37 -6.484 2.152 5.373 1.00 0.00 C ATOM 357 C ILE A 37 -7.664 1.729 6.294 1.00 0.00 C ATOM 358 O ILE A 37 -7.464 1.100 7.317 1.00 0.00 O ATOM 359 CB ILE A 37 -6.058 3.583 5.894 1.00 0.00 C ATOM 360 CG1 ILE A 37 -5.101 4.394 4.990 1.00 0.00 C ATOM 361 CG2 ILE A 37 -5.508 3.538 7.314 1.00 0.00 C ATOM 362 CD1 ILE A 37 -3.814 3.729 4.620 1.00 0.00 C ATOM 0 H ILE A 37 -6.674 3.042 3.483 1.00 0.00 H new ATOM 0 HA ILE A 37 -5.650 1.452 5.420 1.00 0.00 H new ATOM 0 HB ILE A 37 -7.002 4.128 5.870 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -5.631 4.648 4.072 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -4.868 5.332 5.493 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -5.229 4.544 7.628 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -6.270 3.146 7.987 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -4.631 2.892 7.344 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -3.229 4.395 3.986 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -3.249 3.501 5.524 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -4.024 2.805 4.080 1.00 0.00 H new ATOM 374 N GLU A 38 -8.872 2.105 5.933 1.00 0.00 N ATOM 375 CA GLU A 38 -10.015 1.914 6.815 1.00 0.00 C ATOM 376 C GLU A 38 -10.903 0.783 6.372 1.00 0.00 C ATOM 377 O GLU A 38 -11.065 -0.225 7.079 1.00 0.00 O ATOM 378 CB GLU A 38 -10.821 3.219 7.049 1.00 0.00 C ATOM 379 CG GLU A 38 -11.329 3.909 5.790 1.00 0.00 C ATOM 380 CD GLU A 38 -12.250 5.050 6.085 1.00 0.00 C ATOM 381 OE1 GLU A 38 -11.777 6.171 6.343 1.00 0.00 O ATOM 382 OE2 GLU A 38 -13.478 4.850 6.050 1.00 0.00 O ATOM 0 H GLU A 38 -9.093 2.544 5.039 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.596 1.630 7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -11.675 2.989 7.686 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -10.193 3.920 7.599 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -10.479 4.274 5.213 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -11.848 3.181 5.167 1.00 0.00 H new ATOM 389 N LYS A 39 -11.443 0.937 5.173 1.00 0.00 N ATOM 390 CA LYS A 39 -12.389 0.021 4.608 1.00 0.00 C ATOM 391 C LYS A 39 -11.708 -1.253 4.276 1.00 0.00 C ATOM 392 O LYS A 39 -12.224 -2.345 4.540 1.00 0.00 O ATOM 393 CB LYS A 39 -12.966 0.577 3.288 1.00 0.00 C ATOM 394 CG LYS A 39 -13.906 -0.405 2.585 1.00 0.00 C ATOM 395 CD LYS A 39 -14.149 -0.066 1.121 1.00 0.00 C ATOM 396 CE LYS A 39 -14.979 -1.172 0.481 1.00 0.00 C ATOM 397 NZ LYS A 39 -15.134 -1.033 -0.984 1.00 0.00 N ATOM 0 H LYS A 39 -11.223 1.723 4.562 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.185 -0.128 5.338 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -13.504 1.502 3.495 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.145 0.829 2.617 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -13.488 -1.409 2.653 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.861 -0.421 3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -14.668 0.889 1.038 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -13.199 0.041 0.598 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -14.514 -2.134 0.698 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -15.967 -1.185 0.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -15.606 -1.878 -1.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -15.708 -0.192 -1.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -14.197 -0.932 -1.424 1.00 0.00 H new ATOM 411 N ARG A 40 -10.543 -1.136 3.725 1.00 0.00 N ATOM 412 CA ARG A 40 -9.958 -2.253 3.156 1.00 0.00 C ATOM 413 C ARG A 40 -8.915 -2.865 4.056 1.00 0.00 C ATOM 414 O ARG A 40 -8.675 -4.002 3.926 1.00 0.00 O ATOM 415 CB ARG A 40 -9.386 -1.878 1.793 1.00 0.00 C ATOM 416 CG ARG A 40 -8.886 -3.037 0.974 1.00 0.00 C ATOM 417 CD ARG A 40 -10.004 -3.937 0.480 1.00 0.00 C ATOM 418 NE ARG A 40 -9.484 -4.998 -0.390 1.00 0.00 N ATOM 419 CZ ARG A 40 -10.159 -5.578 -1.390 1.00 0.00 C ATOM 420 NH1 ARG A 40 -11.388 -5.191 -1.683 1.00 0.00 N ATOM 421 NH2 ARG A 40 -9.570 -6.518 -2.118 1.00 0.00 N ATOM 0 H ARG A 40 -10.000 -0.274 3.669 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.721 -3.020 3.020 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.155 -1.355 1.224 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -8.566 -1.176 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.328 -2.657 0.119 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.191 -3.625 1.573 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.520 -4.381 1.331 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -10.739 -3.344 -0.064 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.531 -5.320 -0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.830 -4.445 -1.146 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.895 -5.638 -2.447 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.609 -6.794 -1.914 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.078 -6.965 -2.882 1.00 0.00 H new ATOM 435 N TYR A 41 -8.356 -2.097 5.010 1.00 0.00 N ATOM 436 CA TYR A 41 -7.185 -2.564 5.864 1.00 0.00 C ATOM 437 C TYR A 41 -7.169 -4.036 6.220 1.00 0.00 C ATOM 438 O TYR A 41 -6.349 -4.785 5.713 1.00 0.00 O ATOM 439 CB TYR A 41 -7.064 -1.775 7.152 1.00 0.00 C ATOM 440 CG TYR A 41 -5.839 -2.138 7.988 1.00 0.00 C ATOM 441 CD1 TYR A 41 -4.564 -1.738 7.617 1.00 0.00 C ATOM 442 CD2 TYR A 41 -5.974 -2.914 9.131 1.00 0.00 C ATOM 443 CE1 TYR A 41 -3.459 -2.110 8.364 1.00 0.00 C ATOM 444 CE2 TYR A 41 -4.886 -3.281 9.882 1.00 0.00 C ATOM 445 CZ TYR A 41 -3.626 -2.885 9.497 1.00 0.00 C ATOM 446 OH TYR A 41 -2.525 -3.276 10.236 1.00 0.00 O ATOM 0 H TYR A 41 -8.675 -1.153 5.228 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.334 -2.383 5.207 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -7.027 -0.712 6.913 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.961 -1.936 7.751 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -4.431 -1.129 6.735 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.959 -3.236 9.436 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.470 -1.796 8.063 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.018 -3.878 10.772 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.819 -3.815 11.000 1.00 0.00 H new ATOM 456 N VAL A 42 -8.038 -4.420 7.081 1.00 0.00 N ATOM 457 CA VAL A 42 -8.102 -5.771 7.569 1.00 0.00 C ATOM 458 C VAL A 42 -8.329 -6.792 6.426 1.00 0.00 C ATOM 459 O VAL A 42 -7.780 -7.888 6.437 1.00 0.00 O ATOM 460 CB VAL A 42 -9.151 -5.842 8.689 1.00 0.00 C ATOM 461 CG1 VAL A 42 -10.400 -5.093 8.275 1.00 0.00 C ATOM 462 CG2 VAL A 42 -9.447 -7.270 9.107 1.00 0.00 C ATOM 0 H VAL A 42 -8.743 -3.802 7.481 1.00 0.00 H new ATOM 0 HA VAL A 42 -7.141 -6.058 7.995 1.00 0.00 H new ATOM 0 HB VAL A 42 -8.741 -5.355 9.574 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.139 -5.148 9.074 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.151 -4.049 8.082 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.810 -5.542 7.370 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -10.194 -7.269 9.901 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -9.827 -7.828 8.251 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.533 -7.740 9.469 1.00 0.00 H new ATOM 472 N GLU A 43 -9.034 -6.369 5.413 1.00 0.00 N ATOM 473 CA GLU A 43 -9.282 -7.169 4.241 1.00 0.00 C ATOM 474 C GLU A 43 -8.072 -7.127 3.298 1.00 0.00 C ATOM 475 O GLU A 43 -7.847 -8.051 2.617 1.00 0.00 O ATOM 476 CB GLU A 43 -10.567 -6.681 3.553 1.00 0.00 C ATOM 477 CG GLU A 43 -10.935 -7.400 2.271 1.00 0.00 C ATOM 478 CD GLU A 43 -12.312 -7.039 1.795 1.00 0.00 C ATOM 479 OE1 GLU A 43 -12.508 -5.930 1.267 1.00 0.00 O ATOM 480 OE2 GLU A 43 -13.235 -7.863 1.946 1.00 0.00 O ATOM 0 H GLU A 43 -9.460 -5.443 5.376 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.426 -8.210 4.528 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -11.395 -6.781 4.255 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -10.460 -5.618 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.208 -7.154 1.497 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -10.878 -8.477 2.431 1.00 0.00 H new ATOM 487 N LEU A 44 -7.260 -6.073 3.304 1.00 0.00 N ATOM 488 CA LEU A 44 -6.087 -6.061 2.429 1.00 0.00 C ATOM 489 C LEU A 44 -4.972 -6.805 3.094 1.00 0.00 C ATOM 490 O LEU A 44 -4.038 -7.252 2.465 1.00 0.00 O ATOM 491 CB LEU A 44 -5.726 -4.634 1.981 1.00 0.00 C ATOM 492 CG LEU A 44 -5.153 -3.659 2.996 1.00 0.00 C ATOM 493 CD1 LEU A 44 -3.658 -3.659 2.928 1.00 0.00 C ATOM 494 CD2 LEU A 44 -5.692 -2.283 2.760 1.00 0.00 C ATOM 0 H LEU A 44 -7.383 -5.242 3.883 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.308 -6.584 1.498 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -5.007 -4.718 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -6.627 -4.183 1.566 1.00 0.00 H new ATOM 0 HG LEU A 44 -5.453 -3.977 3.994 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.260 -2.956 3.660 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -3.284 -4.660 3.145 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.339 -3.361 1.929 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -5.272 -1.597 3.495 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -5.419 -1.952 1.758 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -6.778 -2.296 2.855 1.00 0.00 H new ATOM 506 N LYS A 45 -5.139 -6.968 4.372 1.00 0.00 N ATOM 507 CA LYS A 45 -4.282 -7.770 5.177 1.00 0.00 C ATOM 508 C LYS A 45 -4.687 -9.238 5.003 1.00 0.00 C ATOM 509 O LYS A 45 -3.852 -10.130 4.961 1.00 0.00 O ATOM 510 CB LYS A 45 -4.481 -7.365 6.633 1.00 0.00 C ATOM 511 CG LYS A 45 -3.588 -8.066 7.629 1.00 0.00 C ATOM 512 CD LYS A 45 -4.068 -7.815 9.046 1.00 0.00 C ATOM 513 CE LYS A 45 -5.407 -8.495 9.299 1.00 0.00 C ATOM 514 NZ LYS A 45 -5.884 -8.274 10.674 1.00 0.00 N ATOM 0 H LYS A 45 -5.899 -6.532 4.894 1.00 0.00 H new ATOM 0 HA LYS A 45 -3.240 -7.636 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.319 -6.291 6.719 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.519 -7.554 6.906 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -3.579 -9.137 7.427 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.563 -7.712 7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.328 -8.186 9.755 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -4.163 -6.743 9.217 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.146 -8.116 8.593 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.311 -9.565 9.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -6.798 -8.753 10.806 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.191 -8.659 11.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -6.000 -7.254 10.841 1.00 0.00 H new ATOM 528 N LYS A 46 -5.992 -9.476 4.919 1.00 0.00 N ATOM 529 CA LYS A 46 -6.503 -10.831 4.816 1.00 0.00 C ATOM 530 C LYS A 46 -6.492 -11.333 3.376 1.00 0.00 C ATOM 531 O LYS A 46 -6.217 -12.511 3.134 1.00 0.00 O ATOM 532 CB LYS A 46 -7.945 -10.930 5.374 1.00 0.00 C ATOM 533 CG LYS A 46 -9.062 -10.619 4.368 1.00 0.00 C ATOM 534 CD LYS A 46 -10.431 -10.604 5.025 1.00 0.00 C ATOM 535 CE LYS A 46 -11.529 -10.459 3.992 1.00 0.00 C ATOM 536 NZ LYS A 46 -12.870 -10.564 4.590 1.00 0.00 N ATOM 0 H LYS A 46 -6.709 -8.750 4.920 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.840 -11.458 5.412 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.098 -11.937 5.762 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.038 -10.246 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.872 -9.651 3.903 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.050 -11.363 3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.577 -11.525 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.487 -9.781 5.738 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.430 -9.496 3.492 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.412 -11.228 3.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -13.590 -10.459 3.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.975 -11.493 5.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -12.993 -9.814 5.300 1.00 0.00 H new ATOM 550 N ALA A 47 -6.789 -10.443 2.426 1.00 0.00 N ATOM 551 CA ALA A 47 -6.970 -10.831 1.052 1.00 0.00 C ATOM 552 C ALA A 47 -5.651 -11.097 0.400 1.00 0.00 C ATOM 553 O ALA A 47 -5.547 -11.878 -0.548 1.00 0.00 O ATOM 554 CB ALA A 47 -7.703 -9.774 0.248 1.00 0.00 C ATOM 0 H ALA A 47 -6.907 -9.445 2.600 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.574 -11.738 1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.815 -10.113 -0.782 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -8.688 -9.604 0.683 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -7.134 -8.845 0.264 1.00 0.00 H new ATOM 560 N ASN A 48 -4.652 -10.450 0.941 1.00 0.00 N ATOM 561 CA ASN A 48 -3.320 -10.481 0.492 1.00 0.00 C ATOM 562 C ASN A 48 -2.589 -10.969 1.743 1.00 0.00 C ATOM 563 O ASN A 48 -2.051 -10.195 2.502 1.00 0.00 O ATOM 564 CB ASN A 48 -2.859 -9.031 0.108 1.00 0.00 C ATOM 565 CG ASN A 48 -3.737 -8.284 -0.963 1.00 0.00 C ATOM 566 OD1 ASN A 48 -4.882 -8.631 -1.202 1.00 0.00 O ATOM 567 ND2 ASN A 48 -3.247 -7.169 -1.520 1.00 0.00 N ATOM 0 H ASN A 48 -4.775 -9.854 1.759 1.00 0.00 H new ATOM 0 HA ASN A 48 -3.147 -11.099 -0.389 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.837 -8.427 1.015 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.836 -9.084 -0.264 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.831 -6.611 -2.143 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.290 -6.878 -1.321 1.00 0.00 H new ATOM 574 N PRO A 49 -2.690 -12.274 2.018 1.00 0.00 N ATOM 575 CA PRO A 49 -2.260 -12.885 3.298 1.00 0.00 C ATOM 576 C PRO A 49 -0.795 -12.765 3.538 1.00 0.00 C ATOM 577 O PRO A 49 -0.337 -12.416 4.621 1.00 0.00 O ATOM 578 CB PRO A 49 -2.651 -14.353 3.120 1.00 0.00 C ATOM 579 CG PRO A 49 -2.654 -14.533 1.648 1.00 0.00 C ATOM 580 CD PRO A 49 -3.225 -13.276 1.102 1.00 0.00 C ATOM 0 HA PRO A 49 -2.719 -12.395 4.157 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.938 -15.020 3.605 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -3.629 -14.563 3.552 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.646 -14.704 1.270 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -3.253 -15.396 1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.910 -13.098 0.074 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.315 -13.289 1.104 1.00 0.00 H new ATOM 588 N ASP A 50 -0.083 -13.033 2.522 1.00 0.00 N ATOM 589 CA ASP A 50 1.365 -12.980 2.538 1.00 0.00 C ATOM 590 C ASP A 50 1.835 -11.557 2.162 1.00 0.00 C ATOM 591 O ASP A 50 2.902 -11.341 1.584 1.00 0.00 O ATOM 592 CB ASP A 50 1.911 -14.040 1.567 1.00 0.00 C ATOM 593 CG ASP A 50 3.410 -14.212 1.635 1.00 0.00 C ATOM 594 OD1 ASP A 50 3.898 -14.865 2.580 1.00 0.00 O ATOM 595 OD2 ASP A 50 4.128 -13.695 0.746 1.00 0.00 O ATOM 0 H ASP A 50 -0.475 -13.305 1.620 1.00 0.00 H new ATOM 0 HA ASP A 50 1.748 -13.200 3.535 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.434 -14.996 1.782 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.632 -13.766 0.550 1.00 0.00 H new ATOM 600 N LEU A 51 1.038 -10.585 2.490 1.00 0.00 N ATOM 601 CA LEU A 51 1.385 -9.239 2.228 1.00 0.00 C ATOM 602 C LEU A 51 1.611 -8.523 3.596 1.00 0.00 C ATOM 603 O LEU A 51 0.689 -8.433 4.397 1.00 0.00 O ATOM 604 CB LEU A 51 0.225 -8.555 1.425 1.00 0.00 C ATOM 605 CG LEU A 51 0.534 -7.256 0.639 1.00 0.00 C ATOM 606 CD1 LEU A 51 -0.707 -6.484 0.293 1.00 0.00 C ATOM 607 CD2 LEU A 51 1.514 -6.378 1.319 1.00 0.00 C ATOM 0 H LEU A 51 0.134 -10.712 2.945 1.00 0.00 H new ATOM 0 HA LEU A 51 2.296 -9.178 1.632 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.163 -9.286 0.716 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.579 -8.334 2.127 1.00 0.00 H new ATOM 0 HG LEU A 51 0.993 -7.595 -0.290 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.434 -5.583 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.360 -7.102 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.229 -6.206 1.208 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.685 -5.487 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.125 -6.086 2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.454 -6.914 1.449 1.00 0.00 H new ATOM 619 N PRO A 52 2.869 -8.145 3.926 1.00 0.00 N ATOM 620 CA PRO A 52 3.162 -7.254 5.063 1.00 0.00 C ATOM 621 C PRO A 52 2.475 -5.937 4.933 1.00 0.00 C ATOM 622 O PRO A 52 2.748 -5.187 3.986 1.00 0.00 O ATOM 623 CB PRO A 52 4.612 -6.965 4.924 1.00 0.00 C ATOM 624 CG PRO A 52 5.186 -8.112 4.211 1.00 0.00 C ATOM 625 CD PRO A 52 4.101 -8.642 3.311 1.00 0.00 C ATOM 0 HA PRO A 52 2.851 -7.719 5.998 1.00 0.00 H new ATOM 0 HB2 PRO A 52 4.774 -6.040 4.370 1.00 0.00 H new ATOM 0 HB3 PRO A 52 5.080 -6.838 5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.059 -7.811 3.631 1.00 0.00 H new ATOM 0 HG3 PRO A 52 5.518 -8.878 4.912 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.214 -8.278 2.290 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.115 -9.731 3.265 1.00 0.00 H new ATOM 633 N ILE A 53 1.698 -5.617 5.907 1.00 0.00 N ATOM 634 CA ILE A 53 0.888 -4.417 5.875 1.00 0.00 C ATOM 635 C ILE A 53 1.376 -3.481 6.987 1.00 0.00 C ATOM 636 O ILE A 53 0.996 -3.642 8.163 1.00 0.00 O ATOM 637 CB ILE A 53 -0.625 -4.725 6.152 1.00 0.00 C ATOM 638 CG1 ILE A 53 -1.169 -5.945 5.346 1.00 0.00 C ATOM 639 CG2 ILE A 53 -1.471 -3.489 5.876 1.00 0.00 C ATOM 640 CD1 ILE A 53 -1.256 -5.779 3.835 1.00 0.00 C ATOM 0 H ILE A 53 1.595 -6.171 6.757 1.00 0.00 H new ATOM 0 HA ILE A 53 0.981 -3.972 4.884 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.698 -4.997 7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.533 -6.805 5.558 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.164 -6.184 5.720 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.519 -3.715 6.072 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.148 -2.675 6.525 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.352 -3.192 4.834 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.648 -6.694 3.390 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.919 -4.947 3.598 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.263 -5.577 3.433 1.00 0.00 H new ATOM 652 N LEU A 54 2.226 -2.544 6.652 1.00 0.00 N ATOM 653 CA LEU A 54 2.763 -1.634 7.648 1.00 0.00 C ATOM 654 C LEU A 54 2.387 -0.189 7.321 1.00 0.00 C ATOM 655 O LEU A 54 2.640 0.282 6.217 1.00 0.00 O ATOM 656 CB LEU A 54 4.292 -1.768 7.730 1.00 0.00 C ATOM 657 CG LEU A 54 4.861 -3.171 8.006 1.00 0.00 C ATOM 658 CD1 LEU A 54 6.368 -3.109 8.147 1.00 0.00 C ATOM 659 CD2 LEU A 54 4.235 -3.798 9.247 1.00 0.00 C ATOM 0 H LEU A 54 2.564 -2.386 5.703 1.00 0.00 H new ATOM 0 HA LEU A 54 2.331 -1.898 8.613 1.00 0.00 H new ATOM 0 HB2 LEU A 54 4.713 -1.411 6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 54 4.648 -1.099 8.513 1.00 0.00 H new ATOM 0 HG LEU A 54 4.610 -3.804 7.155 1.00 0.00 H new ATOM 0 HD11 LEU A 54 6.757 -4.109 8.342 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.804 -2.723 7.225 1.00 0.00 H new ATOM 0 HD13 LEU A 54 6.629 -2.450 8.975 1.00 0.00 H new ATOM 0 HD21 LEU A 54 4.662 -4.788 9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 54 4.437 -3.169 10.114 1.00 0.00 H new ATOM 0 HD23 LEU A 54 3.158 -3.886 9.106 1.00 0.00 H new ATOM 671 N ILE A 55 1.796 0.502 8.279 1.00 0.00 N ATOM 672 CA ILE A 55 1.387 1.880 8.116 1.00 0.00 C ATOM 673 C ILE A 55 2.520 2.787 8.565 1.00 0.00 C ATOM 674 O ILE A 55 2.925 2.790 9.731 1.00 0.00 O ATOM 675 CB ILE A 55 0.095 2.222 8.920 1.00 0.00 C ATOM 676 CG1 ILE A 55 -1.064 1.301 8.492 1.00 0.00 C ATOM 677 CG2 ILE A 55 -0.287 3.694 8.721 1.00 0.00 C ATOM 678 CD1 ILE A 55 -2.378 1.583 9.181 1.00 0.00 C ATOM 0 H ILE A 55 1.586 0.116 9.200 1.00 0.00 H new ATOM 0 HA ILE A 55 1.159 2.036 7.062 1.00 0.00 H new ATOM 0 HB ILE A 55 0.293 2.058 9.979 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.206 1.394 7.415 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -0.780 0.267 8.688 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.191 3.915 9.289 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.526 4.331 9.069 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.468 3.883 7.663 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.135 0.888 8.819 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.258 1.460 10.257 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.690 2.605 8.965 1.00 0.00 H new ATOM 690 N ARG A 56 3.026 3.513 7.637 1.00 0.00 N ATOM 691 CA ARG A 56 4.143 4.409 7.828 1.00 0.00 C ATOM 692 C ARG A 56 3.712 5.840 7.589 1.00 0.00 C ATOM 693 O ARG A 56 2.580 6.106 7.175 1.00 0.00 O ATOM 694 CB ARG A 56 5.275 4.041 6.884 1.00 0.00 C ATOM 695 CG ARG A 56 5.815 2.636 7.102 1.00 0.00 C ATOM 696 CD ARG A 56 6.539 2.527 8.431 1.00 0.00 C ATOM 697 NE ARG A 56 7.729 3.380 8.447 1.00 0.00 N ATOM 698 CZ ARG A 56 8.473 3.676 9.517 1.00 0.00 C ATOM 699 NH1 ARG A 56 8.129 3.225 10.725 1.00 0.00 N ATOM 700 NH2 ARG A 56 9.543 4.460 9.378 1.00 0.00 N ATOM 0 H ARG A 56 2.671 3.511 6.681 1.00 0.00 H new ATOM 0 HA ARG A 56 4.496 4.315 8.855 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.924 4.131 5.856 1.00 0.00 H new ATOM 0 HB3 ARG A 56 6.087 4.757 7.007 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.994 1.919 7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.496 2.375 6.292 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.868 2.816 9.240 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.826 1.491 8.610 1.00 0.00 H new ATOM 0 HE ARG A 56 8.017 3.787 7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.294 2.650 10.836 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.702 3.455 11.537 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.789 4.829 8.460 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.116 4.690 10.190 1.00 0.00 H new ATOM 714 N GLU A 57 4.588 6.745 7.865 1.00 0.00 N ATOM 715 CA GLU A 57 4.310 8.157 7.759 1.00 0.00 C ATOM 716 C GLU A 57 4.740 8.703 6.406 1.00 0.00 C ATOM 717 O GLU A 57 5.456 8.043 5.633 1.00 0.00 O ATOM 718 CB GLU A 57 4.998 8.978 8.880 1.00 0.00 C ATOM 719 CG GLU A 57 4.503 8.732 10.309 1.00 0.00 C ATOM 720 CD GLU A 57 4.740 7.326 10.803 1.00 0.00 C ATOM 721 OE1 GLU A 57 5.922 6.939 10.990 1.00 0.00 O ATOM 722 OE2 GLU A 57 3.754 6.579 10.990 1.00 0.00 O ATOM 0 H GLU A 57 5.536 6.533 8.177 1.00 0.00 H new ATOM 0 HA GLU A 57 3.231 8.263 7.868 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.067 8.769 8.849 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.873 10.037 8.653 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.000 9.432 10.981 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.436 8.948 10.356 1.00 0.00 H new ATOM 729 N CYS A 58 4.295 9.890 6.148 1.00 0.00 N ATOM 730 CA CYS A 58 4.584 10.671 4.964 1.00 0.00 C ATOM 731 C CYS A 58 6.052 11.144 4.965 1.00 0.00 C ATOM 732 O CYS A 58 6.747 11.017 5.976 1.00 0.00 O ATOM 733 CB CYS A 58 3.654 11.868 5.023 1.00 0.00 C ATOM 734 SG CYS A 58 3.621 12.629 6.698 1.00 0.00 S ATOM 0 H CYS A 58 3.678 10.382 6.794 1.00 0.00 H new ATOM 0 HA CYS A 58 4.437 10.083 4.058 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.973 12.612 4.293 1.00 0.00 H new ATOM 0 HB3 CYS A 58 2.646 11.559 4.745 1.00 0.00 H new ATOM 739 N SER A 59 6.513 11.704 3.855 1.00 0.00 N ATOM 740 CA SER A 59 7.880 12.190 3.763 1.00 0.00 C ATOM 741 C SER A 59 8.027 13.361 2.781 1.00 0.00 C ATOM 742 O SER A 59 8.486 14.445 3.159 1.00 0.00 O ATOM 743 CB SER A 59 8.833 11.039 3.440 1.00 0.00 C ATOM 744 OG SER A 59 8.280 10.175 2.443 1.00 0.00 O ATOM 0 H SER A 59 5.960 11.832 3.007 1.00 0.00 H new ATOM 0 HA SER A 59 8.154 12.592 4.738 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.785 11.439 3.091 1.00 0.00 H new ATOM 0 HB3 SER A 59 9.039 10.469 4.346 1.00 0.00 H new ATOM 0 HG SER A 59 8.910 9.449 2.254 1.00 0.00 H new ATOM 750 N ASP A 60 7.613 13.162 1.550 1.00 0.00 N ATOM 751 CA ASP A 60 7.705 14.198 0.533 1.00 0.00 C ATOM 752 C ASP A 60 6.330 14.714 0.222 1.00 0.00 C ATOM 753 O ASP A 60 5.985 15.818 0.627 1.00 0.00 O ATOM 754 CB ASP A 60 8.479 13.730 -0.727 1.00 0.00 C ATOM 755 CG ASP A 60 8.222 12.290 -1.089 1.00 0.00 C ATOM 756 OD1 ASP A 60 7.061 11.899 -1.269 1.00 0.00 O ATOM 757 OD2 ASP A 60 9.171 11.502 -1.136 1.00 0.00 O ATOM 0 H ASP A 60 7.205 12.286 1.222 1.00 0.00 H new ATOM 0 HA ASP A 60 8.297 15.024 0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.202 14.363 -1.570 1.00 0.00 H new ATOM 0 HB3 ASP A 60 9.547 13.870 -0.560 1.00 0.00 H new ATOM 762 N VAL A 61 5.537 13.936 -0.471 1.00 0.00 N ATOM 763 CA VAL A 61 4.154 14.278 -0.619 1.00 0.00 C ATOM 764 C VAL A 61 3.386 13.579 0.480 1.00 0.00 C ATOM 765 O VAL A 61 3.296 14.094 1.594 1.00 0.00 O ATOM 766 CB VAL A 61 3.534 13.957 -2.032 1.00 0.00 C ATOM 767 CG1 VAL A 61 2.033 14.250 -2.063 1.00 0.00 C ATOM 768 CG2 VAL A 61 4.203 14.776 -3.111 1.00 0.00 C ATOM 0 H VAL A 61 5.824 13.074 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 61 4.077 15.362 -0.539 1.00 0.00 H new ATOM 0 HB VAL A 61 3.698 12.895 -2.216 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.637 14.018 -3.052 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.527 13.637 -1.317 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.863 15.304 -1.843 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.759 14.537 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.066 15.837 -2.900 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.268 14.546 -3.135 1.00 0.00 H new ATOM 778 N GLN A 62 2.979 12.352 0.244 1.00 0.00 N ATOM 779 CA GLN A 62 2.116 11.712 1.189 1.00 0.00 C ATOM 780 C GLN A 62 1.960 10.175 0.994 1.00 0.00 C ATOM 781 O GLN A 62 2.702 9.413 1.627 1.00 0.00 O ATOM 782 CB GLN A 62 0.756 12.432 1.272 1.00 0.00 C ATOM 783 CG GLN A 62 -0.181 11.857 2.291 1.00 0.00 C ATOM 784 CD GLN A 62 -1.317 12.770 2.535 1.00 0.00 C ATOM 785 OE1 GLN A 62 -1.226 13.627 3.384 1.00 0.00 O ATOM 786 NE2 GLN A 62 -2.375 12.622 1.808 1.00 0.00 N ATOM 0 H GLN A 62 3.228 11.796 -0.574 1.00 0.00 H new ATOM 0 HA GLN A 62 2.616 11.808 2.153 1.00 0.00 H new ATOM 0 HB2 GLN A 62 0.927 13.483 1.504 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.278 12.396 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -0.552 10.892 1.946 1.00 0.00 H new ATOM 0 HG3 GLN A 62 0.354 11.678 3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.410 11.886 1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.175 13.241 1.939 1.00 0.00 H new ATOM 795 N PRO A 63 1.110 9.690 0.020 1.00 0.00 N ATOM 796 CA PRO A 63 0.692 8.294 -0.031 1.00 0.00 C ATOM 797 C PRO A 63 1.557 7.433 -0.917 1.00 0.00 C ATOM 798 O PRO A 63 1.158 7.058 -2.011 1.00 0.00 O ATOM 799 CB PRO A 63 -0.694 8.400 -0.648 1.00 0.00 C ATOM 800 CG PRO A 63 -0.600 9.563 -1.594 1.00 0.00 C ATOM 801 CD PRO A 63 0.563 10.421 -1.150 1.00 0.00 C ATOM 0 HA PRO A 63 0.744 7.826 0.952 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.966 7.484 -1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.455 8.569 0.114 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.450 9.214 -2.616 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.526 10.139 -1.586 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.307 10.528 -1.940 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.239 11.426 -0.879 1.00 0.00 H new ATOM 809 N LYS A 64 2.720 7.130 -0.485 1.00 0.00 N ATOM 810 CA LYS A 64 3.581 6.316 -1.308 1.00 0.00 C ATOM 811 C LYS A 64 3.502 4.894 -0.865 1.00 0.00 C ATOM 812 O LYS A 64 3.345 4.601 0.323 1.00 0.00 O ATOM 813 CB LYS A 64 5.053 6.755 -1.292 1.00 0.00 C ATOM 814 CG LYS A 64 5.366 8.168 -1.770 1.00 0.00 C ATOM 815 CD LYS A 64 5.003 9.223 -0.761 1.00 0.00 C ATOM 816 CE LYS A 64 6.002 9.241 0.381 1.00 0.00 C ATOM 817 NZ LYS A 64 7.390 9.489 -0.113 1.00 0.00 N ATOM 0 H LYS A 64 3.109 7.417 0.413 1.00 0.00 H new ATOM 0 HA LYS A 64 3.222 6.436 -2.330 1.00 0.00 H new ATOM 0 HB2 LYS A 64 5.424 6.654 -0.272 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.620 6.057 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.429 8.241 -1.998 1.00 0.00 H new ATOM 0 HG3 LYS A 64 4.827 8.360 -2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.977 10.200 -1.243 1.00 0.00 H new ATOM 0 HD3 LYS A 64 4.003 9.032 -0.372 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.725 10.015 1.097 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.968 8.290 0.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.982 9.829 0.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 7.788 8.605 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 7.368 10.206 -0.866 1.00 0.00 H new ATOM 831 N LEU A 65 3.646 4.036 -1.805 1.00 0.00 N ATOM 832 CA LEU A 65 3.555 2.645 -1.590 1.00 0.00 C ATOM 833 C LEU A 65 4.919 2.095 -1.492 1.00 0.00 C ATOM 834 O LEU A 65 5.572 1.953 -2.507 1.00 0.00 O ATOM 835 CB LEU A 65 2.912 2.040 -2.800 1.00 0.00 C ATOM 836 CG LEU A 65 2.426 0.598 -2.682 1.00 0.00 C ATOM 837 CD1 LEU A 65 1.463 0.433 -1.511 1.00 0.00 C ATOM 838 CD2 LEU A 65 1.769 0.188 -3.977 1.00 0.00 C ATOM 0 H LEU A 65 3.836 4.292 -2.774 1.00 0.00 H new ATOM 0 HA LEU A 65 2.987 2.433 -0.684 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.061 2.662 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.625 2.090 -3.623 1.00 0.00 H new ATOM 0 HG LEU A 65 3.282 -0.048 -2.490 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.135 -0.605 -1.453 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.967 0.706 -0.584 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.598 1.080 -1.657 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.420 -0.842 -3.898 1.00 0.00 H new ATOM 0 HD22 LEU A 65 0.922 0.844 -4.179 1.00 0.00 H new ATOM 0 HD23 LEU A 65 2.490 0.265 -4.791 1.00 0.00 H new ATOM 850 N TRP A 66 5.397 1.863 -0.320 1.00 0.00 N ATOM 851 CA TRP A 66 6.670 1.245 -0.237 1.00 0.00 C ATOM 852 C TRP A 66 6.480 -0.253 -0.337 1.00 0.00 C ATOM 853 O TRP A 66 5.752 -0.844 0.441 1.00 0.00 O ATOM 854 CB TRP A 66 7.483 1.613 1.040 1.00 0.00 C ATOM 855 CG TRP A 66 8.673 0.693 1.244 1.00 0.00 C ATOM 856 CD1 TRP A 66 8.788 -0.345 2.133 1.00 0.00 C ATOM 857 CD2 TRP A 66 9.860 0.686 0.487 1.00 0.00 C ATOM 858 NE1 TRP A 66 9.991 -0.981 1.959 1.00 0.00 N ATOM 859 CE2 TRP A 66 10.664 -0.362 0.948 1.00 0.00 C ATOM 860 CE3 TRP A 66 10.319 1.467 -0.534 1.00 0.00 C ATOM 861 CZ2 TRP A 66 11.900 -0.630 0.390 1.00 0.00 C ATOM 862 CZ3 TRP A 66 11.527 1.197 -1.082 1.00 0.00 C ATOM 863 CH2 TRP A 66 12.302 0.175 -0.634 1.00 0.00 C ATOM 0 H TRP A 66 4.943 2.083 0.567 1.00 0.00 H new ATOM 0 HA TRP A 66 7.268 1.624 -1.066 1.00 0.00 H new ATOM 0 HB2 TRP A 66 7.831 2.643 0.963 1.00 0.00 H new ATOM 0 HB3 TRP A 66 6.831 1.561 1.912 1.00 0.00 H new ATOM 0 HD1 TRP A 66 8.041 -0.621 2.863 1.00 0.00 H new ATOM 0 HE1 TRP A 66 10.325 -1.782 2.495 1.00 0.00 H new ATOM 0 HE3 TRP A 66 9.725 2.291 -0.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 12.518 -1.440 0.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 11.884 1.810 -1.896 1.00 0.00 H new ATOM 0 HH2 TRP A 66 13.260 -0.004 -1.100 1.00 0.00 H new ATOM 874 N ALA A 67 7.122 -0.820 -1.282 1.00 0.00 N ATOM 875 CA ALA A 67 7.091 -2.194 -1.529 1.00 0.00 C ATOM 876 C ALA A 67 8.505 -2.722 -1.576 1.00 0.00 C ATOM 877 O ALA A 67 9.433 -2.016 -2.016 1.00 0.00 O ATOM 878 CB ALA A 67 6.398 -2.469 -2.842 1.00 0.00 C ATOM 0 H ALA A 67 7.713 -0.305 -1.935 1.00 0.00 H new ATOM 0 HA ALA A 67 6.540 -2.692 -0.731 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.379 -3.543 -3.025 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.377 -2.090 -2.801 1.00 0.00 H new ATOM 0 HB3 ALA A 67 6.937 -1.973 -3.649 1.00 0.00 H new ATOM 884 N ARG A 68 8.677 -3.920 -1.119 1.00 0.00 N ATOM 885 CA ARG A 68 9.900 -4.604 -1.186 1.00 0.00 C ATOM 886 C ARG A 68 9.502 -6.041 -1.414 1.00 0.00 C ATOM 887 O ARG A 68 9.069 -6.745 -0.526 1.00 0.00 O ATOM 888 CB ARG A 68 10.738 -4.461 0.087 1.00 0.00 C ATOM 889 CG ARG A 68 12.186 -4.820 -0.154 1.00 0.00 C ATOM 890 CD ARG A 68 12.939 -3.675 -0.848 1.00 0.00 C ATOM 891 NE ARG A 68 14.129 -4.152 -1.552 1.00 0.00 N ATOM 892 CZ ARG A 68 15.039 -3.382 -2.149 1.00 0.00 C ATOM 893 NH1 ARG A 68 15.119 -2.082 -1.861 1.00 0.00 N ATOM 894 NH2 ARG A 68 15.923 -3.929 -2.964 1.00 0.00 N ATOM 0 H ARG A 68 7.933 -4.458 -0.674 1.00 0.00 H new ATOM 0 HA ARG A 68 10.537 -4.202 -1.974 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.673 -3.436 0.452 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.329 -5.104 0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.668 -5.052 0.796 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.242 -5.719 -0.768 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.274 -3.179 -1.555 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.230 -2.930 -0.107 1.00 0.00 H new ATOM 0 HE ARG A 68 14.275 -5.161 -1.589 1.00 0.00 H new ATOM 0 HH11 ARG A 68 14.481 -1.670 -1.180 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.818 -1.500 -2.322 1.00 0.00 H new ATOM 0 HH21 ARG A 68 15.907 -4.935 -3.133 1.00 0.00 H new ATOM 0 HH22 ARG A 68 16.622 -3.346 -3.424 1.00 0.00 H new ATOM 908 N TYR A 69 9.514 -6.390 -2.613 1.00 0.00 N ATOM 909 CA TYR A 69 9.035 -7.685 -3.082 1.00 0.00 C ATOM 910 C TYR A 69 10.075 -8.785 -2.837 1.00 0.00 C ATOM 911 O TYR A 69 11.225 -8.505 -2.551 1.00 0.00 O ATOM 912 CB TYR A 69 8.787 -7.605 -4.586 1.00 0.00 C ATOM 913 CG TYR A 69 7.968 -6.421 -5.034 1.00 0.00 C ATOM 914 CD1 TYR A 69 6.644 -6.312 -4.708 1.00 0.00 C ATOM 915 CD2 TYR A 69 8.532 -5.415 -5.804 1.00 0.00 C ATOM 916 CE1 TYR A 69 5.898 -5.246 -5.125 1.00 0.00 C ATOM 917 CE2 TYR A 69 7.787 -4.342 -6.234 1.00 0.00 C ATOM 918 CZ TYR A 69 6.464 -4.265 -5.888 1.00 0.00 C ATOM 919 OH TYR A 69 5.699 -3.212 -6.317 1.00 0.00 O ATOM 0 H TYR A 69 9.863 -5.791 -3.361 1.00 0.00 H new ATOM 0 HA TYR A 69 8.122 -7.926 -2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 69 9.749 -7.576 -5.097 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.284 -8.518 -4.905 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.180 -7.082 -4.110 1.00 0.00 H new ATOM 0 HD2 TYR A 69 9.577 -5.475 -6.071 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.856 -5.179 -4.850 1.00 0.00 H new ATOM 0 HE2 TYR A 69 8.240 -3.569 -6.837 1.00 0.00 H new ATOM 0 HH TYR A 69 6.283 -2.478 -6.601 1.00 0.00 H new ATOM 929 N ALA A 70 9.660 -10.029 -3.017 1.00 0.00 N ATOM 930 CA ALA A 70 10.542 -11.198 -2.905 1.00 0.00 C ATOM 931 C ALA A 70 11.074 -11.546 -4.263 1.00 0.00 C ATOM 932 O ALA A 70 11.868 -12.464 -4.424 1.00 0.00 O ATOM 933 CB ALA A 70 9.841 -12.380 -2.261 1.00 0.00 C ATOM 0 H ALA A 70 8.695 -10.266 -3.247 1.00 0.00 H new ATOM 0 HA ALA A 70 11.375 -10.945 -2.249 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.530 -13.222 -2.198 1.00 0.00 H new ATOM 0 HB2 ALA A 70 9.511 -12.106 -1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 70 8.977 -12.663 -2.863 1.00 0.00 H new ATOM 939 N PHE A 71 10.619 -10.802 -5.249 1.00 0.00 N ATOM 940 CA PHE A 71 11.272 -10.808 -6.529 1.00 0.00 C ATOM 941 C PHE A 71 12.580 -10.030 -6.288 1.00 0.00 C ATOM 942 O PHE A 71 13.550 -10.137 -7.027 1.00 0.00 O ATOM 943 CB PHE A 71 10.403 -10.084 -7.567 1.00 0.00 C ATOM 944 CG PHE A 71 10.736 -10.387 -9.013 1.00 0.00 C ATOM 945 CD1 PHE A 71 11.811 -9.788 -9.648 1.00 0.00 C ATOM 946 CD2 PHE A 71 9.946 -11.262 -9.739 1.00 0.00 C ATOM 947 CE1 PHE A 71 12.090 -10.056 -10.973 1.00 0.00 C ATOM 948 CE2 PHE A 71 10.222 -11.537 -11.062 1.00 0.00 C ATOM 949 CZ PHE A 71 11.295 -10.932 -11.680 1.00 0.00 C ATOM 0 H PHE A 71 9.805 -10.191 -5.184 1.00 0.00 H new ATOM 0 HA PHE A 71 11.448 -11.814 -6.910 1.00 0.00 H new ATOM 0 HB2 PHE A 71 9.360 -10.345 -7.389 1.00 0.00 H new ATOM 0 HB3 PHE A 71 10.494 -9.010 -7.408 1.00 0.00 H new ATOM 0 HD1 PHE A 71 12.439 -9.102 -9.099 1.00 0.00 H new ATOM 0 HD2 PHE A 71 9.101 -11.736 -9.262 1.00 0.00 H new ATOM 0 HE1 PHE A 71 12.931 -9.580 -11.455 1.00 0.00 H new ATOM 0 HE2 PHE A 71 9.598 -12.225 -11.613 1.00 0.00 H new ATOM 0 HZ PHE A 71 11.512 -11.144 -12.716 1.00 0.00 H new ATOM 959 N GLY A 72 12.558 -9.263 -5.187 1.00 0.00 N ATOM 960 CA GLY A 72 13.684 -8.519 -4.718 1.00 0.00 C ATOM 961 C GLY A 72 13.760 -7.147 -5.326 1.00 0.00 C ATOM 962 O GLY A 72 14.816 -6.514 -5.369 1.00 0.00 O ATOM 0 H GLY A 72 11.729 -9.156 -4.602 1.00 0.00 H new ATOM 0 HA2 GLY A 72 13.630 -8.430 -3.633 1.00 0.00 H new ATOM 0 HA3 GLY A 72 14.598 -9.066 -4.948 1.00 0.00 H new ATOM 966 N GLN A 73 12.620 -6.687 -5.785 1.00 0.00 N ATOM 967 CA GLN A 73 12.474 -5.365 -6.343 1.00 0.00 C ATOM 968 C GLN A 73 11.892 -4.463 -5.270 1.00 0.00 C ATOM 969 O GLN A 73 11.232 -4.950 -4.332 1.00 0.00 O ATOM 970 CB GLN A 73 11.507 -5.390 -7.537 1.00 0.00 C ATOM 971 CG GLN A 73 11.914 -6.299 -8.680 1.00 0.00 C ATOM 972 CD GLN A 73 10.898 -6.295 -9.813 1.00 0.00 C ATOM 973 OE1 GLN A 73 10.983 -5.495 -10.742 1.00 0.00 O ATOM 974 NE2 GLN A 73 9.932 -7.175 -9.743 1.00 0.00 N ATOM 0 H GLN A 73 11.756 -7.229 -5.781 1.00 0.00 H new ATOM 0 HA GLN A 73 13.446 -5.004 -6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.524 -5.699 -7.181 1.00 0.00 H new ATOM 0 HB3 GLN A 73 11.403 -4.375 -7.921 1.00 0.00 H new ATOM 0 HG2 GLN A 73 12.884 -5.983 -9.064 1.00 0.00 H new ATOM 0 HG3 GLN A 73 12.034 -7.316 -8.307 1.00 0.00 H new ATOM 0 HE21 GLN A 73 9.890 -7.825 -8.958 1.00 0.00 H new ATOM 0 HE22 GLN A 73 9.221 -7.211 -10.473 1.00 0.00 H new ATOM 983 N GLU A 74 12.111 -3.190 -5.384 1.00 0.00 N ATOM 984 CA GLU A 74 11.551 -2.251 -4.458 1.00 0.00 C ATOM 985 C GLU A 74 10.582 -1.356 -5.187 1.00 0.00 C ATOM 986 O GLU A 74 10.513 -1.374 -6.421 1.00 0.00 O ATOM 987 CB GLU A 74 12.622 -1.398 -3.754 1.00 0.00 C ATOM 988 CG GLU A 74 13.368 -0.401 -4.632 1.00 0.00 C ATOM 989 CD GLU A 74 14.246 -1.047 -5.679 1.00 0.00 C ATOM 990 OE1 GLU A 74 13.737 -1.404 -6.751 1.00 0.00 O ATOM 991 OE2 GLU A 74 15.460 -1.218 -5.434 1.00 0.00 O ATOM 0 H GLU A 74 12.681 -2.772 -6.119 1.00 0.00 H new ATOM 0 HA GLU A 74 11.039 -2.819 -3.682 1.00 0.00 H new ATOM 0 HB2 GLU A 74 12.145 -0.850 -2.942 1.00 0.00 H new ATOM 0 HB3 GLU A 74 13.352 -2.069 -3.300 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.644 0.246 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.984 0.237 -3.998 1.00 0.00 H new ATOM 998 N THR A 75 9.849 -0.602 -4.446 1.00 0.00 N ATOM 999 CA THR A 75 8.877 0.301 -4.950 1.00 0.00 C ATOM 1000 C THR A 75 8.517 1.242 -3.833 1.00 0.00 C ATOM 1001 O THR A 75 8.472 0.839 -2.724 1.00 0.00 O ATOM 1002 CB THR A 75 7.646 -0.505 -5.461 1.00 0.00 C ATOM 1003 OG1 THR A 75 7.872 -1.003 -6.793 1.00 0.00 O ATOM 1004 CG2 THR A 75 6.319 0.227 -5.344 1.00 0.00 C ATOM 0 H THR A 75 9.914 -0.598 -3.428 1.00 0.00 H new ATOM 0 HA THR A 75 9.255 0.880 -5.793 1.00 0.00 H new ATOM 0 HB THR A 75 7.549 -1.354 -4.785 1.00 0.00 H new ATOM 0 HG1 THR A 75 8.836 -1.067 -6.959 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.518 -0.408 -5.723 1.00 0.00 H new ATOM 0 HG22 THR A 75 6.127 0.468 -4.298 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.358 1.147 -5.927 1.00 0.00 H new ATOM 1012 N ASN A 76 8.416 2.484 -4.115 1.00 0.00 N ATOM 1013 CA ASN A 76 7.991 3.477 -3.136 1.00 0.00 C ATOM 1014 C ASN A 76 7.208 4.551 -3.836 1.00 0.00 C ATOM 1015 O ASN A 76 7.779 5.537 -4.311 1.00 0.00 O ATOM 1016 CB ASN A 76 9.171 4.038 -2.284 1.00 0.00 C ATOM 1017 CG ASN A 76 10.441 4.341 -3.076 1.00 0.00 C ATOM 1018 OD1 ASN A 76 10.595 5.420 -3.631 1.00 0.00 O ATOM 1019 ND2 ASN A 76 11.399 3.415 -3.078 1.00 0.00 N ATOM 0 H ASN A 76 8.623 2.871 -5.036 1.00 0.00 H new ATOM 0 HA ASN A 76 7.342 2.992 -2.407 1.00 0.00 H new ATOM 0 HB2 ASN A 76 8.842 4.951 -1.788 1.00 0.00 H new ATOM 0 HB3 ASN A 76 9.410 3.319 -1.501 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.285 3.599 -3.549 1.00 0.00 H new ATOM 0 HD22 ASN A 76 11.247 2.523 -2.608 1.00 0.00 H new ATOM 1026 N VAL A 77 5.878 4.382 -3.934 1.00 0.00 N ATOM 1027 CA VAL A 77 5.165 5.307 -4.864 1.00 0.00 C ATOM 1028 C VAL A 77 3.749 5.771 -4.567 1.00 0.00 C ATOM 1029 O VAL A 77 2.891 4.999 -4.193 1.00 0.00 O ATOM 1030 CB VAL A 77 5.329 4.832 -6.299 1.00 0.00 C ATOM 1031 CG1 VAL A 77 4.956 3.364 -6.458 1.00 0.00 C ATOM 1032 CG2 VAL A 77 4.646 5.693 -7.364 1.00 0.00 C ATOM 0 H VAL A 77 5.311 3.692 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 77 5.685 6.247 -4.676 1.00 0.00 H new ATOM 0 HB VAL A 77 6.395 4.951 -6.491 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.088 3.066 -7.498 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.598 2.755 -5.822 1.00 0.00 H new ATOM 0 HG13 VAL A 77 3.915 3.220 -6.168 1.00 0.00 H new ATOM 0 HG21 VAL A 77 4.827 5.264 -8.350 1.00 0.00 H new ATOM 0 HG22 VAL A 77 3.573 5.725 -7.173 1.00 0.00 H new ATOM 0 HG23 VAL A 77 5.051 6.704 -7.329 1.00 0.00 H new ATOM 1042 N PRO A 78 3.564 7.110 -4.716 1.00 0.00 N ATOM 1043 CA PRO A 78 2.290 7.817 -4.602 1.00 0.00 C ATOM 1044 C PRO A 78 1.189 7.117 -5.332 1.00 0.00 C ATOM 1045 O PRO A 78 1.169 7.026 -6.568 1.00 0.00 O ATOM 1046 CB PRO A 78 2.578 9.171 -5.235 1.00 0.00 C ATOM 1047 CG PRO A 78 4.019 9.384 -4.970 1.00 0.00 C ATOM 1048 CD PRO A 78 4.654 8.028 -5.015 1.00 0.00 C ATOM 0 HA PRO A 78 1.949 7.883 -3.569 1.00 0.00 H new ATOM 0 HB2 PRO A 78 2.364 9.167 -6.304 1.00 0.00 H new ATOM 0 HB3 PRO A 78 1.969 9.958 -4.791 1.00 0.00 H new ATOM 0 HG2 PRO A 78 4.459 10.045 -5.716 1.00 0.00 H new ATOM 0 HG3 PRO A 78 4.171 9.854 -3.998 1.00 0.00 H new ATOM 0 HD2 PRO A 78 5.088 7.824 -5.994 1.00 0.00 H new ATOM 0 HD3 PRO A 78 5.459 7.941 -4.285 1.00 0.00 H new ATOM 1056 N LEU A 79 0.307 6.610 -4.563 1.00 0.00 N ATOM 1057 CA LEU A 79 -0.801 5.862 -5.019 1.00 0.00 C ATOM 1058 C LEU A 79 -2.091 6.683 -4.881 1.00 0.00 C ATOM 1059 O LEU A 79 -3.203 6.157 -4.905 1.00 0.00 O ATOM 1060 CB LEU A 79 -0.807 4.532 -4.235 1.00 0.00 C ATOM 1061 CG LEU A 79 -0.759 4.557 -2.680 1.00 0.00 C ATOM 1062 CD1 LEU A 79 -1.946 5.272 -2.066 1.00 0.00 C ATOM 1063 CD2 LEU A 79 -0.717 3.134 -2.168 1.00 0.00 C ATOM 0 H LEU A 79 0.337 6.709 -3.548 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.732 5.628 -6.081 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.705 3.986 -4.525 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.046 3.947 -4.578 1.00 0.00 H new ATOM 0 HG LEU A 79 0.135 5.108 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.858 5.257 -0.980 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.969 6.305 -2.414 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -2.867 4.769 -2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.683 3.140 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.608 2.601 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.170 2.634 -2.556 1.00 0.00 H new ATOM 1075 N ASN A 80 -1.899 8.001 -4.847 1.00 0.00 N ATOM 1076 CA ASN A 80 -2.963 9.001 -4.599 1.00 0.00 C ATOM 1077 C ASN A 80 -4.034 8.979 -5.692 1.00 0.00 C ATOM 1078 O ASN A 80 -5.155 9.458 -5.510 1.00 0.00 O ATOM 1079 CB ASN A 80 -2.317 10.405 -4.484 1.00 0.00 C ATOM 1080 CG ASN A 80 -3.271 11.551 -4.119 1.00 0.00 C ATOM 1081 OD1 ASN A 80 -3.044 12.695 -4.501 1.00 0.00 O ATOM 1082 ND2 ASN A 80 -4.313 11.271 -3.391 1.00 0.00 N ATOM 0 H ASN A 80 -0.982 8.423 -4.993 1.00 0.00 H new ATOM 0 HA ASN A 80 -3.467 8.751 -3.665 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -1.528 10.361 -3.733 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -1.839 10.644 -5.434 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -4.963 12.011 -3.125 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -4.479 10.312 -3.086 1.00 0.00 H new ATOM 1089 N ASN A 81 -3.699 8.382 -6.773 1.00 0.00 N ATOM 1090 CA ASN A 81 -4.560 8.317 -7.931 1.00 0.00 C ATOM 1091 C ASN A 81 -5.604 7.203 -7.821 1.00 0.00 C ATOM 1092 O ASN A 81 -6.648 7.267 -8.462 1.00 0.00 O ATOM 1093 CB ASN A 81 -3.702 8.122 -9.175 1.00 0.00 C ATOM 1094 CG ASN A 81 -4.474 8.165 -10.470 1.00 0.00 C ATOM 1095 OD1 ASN A 81 -4.901 7.136 -11.004 1.00 0.00 O ATOM 1096 ND2 ASN A 81 -4.657 9.345 -10.968 1.00 0.00 N ATOM 0 H ASN A 81 -2.804 7.910 -6.898 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.112 9.255 -7.997 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -2.933 8.894 -9.197 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -3.189 7.163 -9.102 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.174 9.456 -11.840 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -4.284 10.164 -10.488 1.00 0.00 H new ATOM 1103 N PHE A 82 -5.363 6.218 -6.981 1.00 0.00 N ATOM 1104 CA PHE A 82 -6.248 5.091 -6.916 1.00 0.00 C ATOM 1105 C PHE A 82 -6.985 5.083 -5.596 1.00 0.00 C ATOM 1106 O PHE A 82 -6.501 5.630 -4.589 1.00 0.00 O ATOM 1107 CB PHE A 82 -5.485 3.772 -7.114 1.00 0.00 C ATOM 1108 CG PHE A 82 -4.606 3.738 -8.336 1.00 0.00 C ATOM 1109 CD1 PHE A 82 -5.138 3.459 -9.581 1.00 0.00 C ATOM 1110 CD2 PHE A 82 -3.244 3.987 -8.231 1.00 0.00 C ATOM 1111 CE1 PHE A 82 -4.334 3.430 -10.702 1.00 0.00 C ATOM 1112 CE2 PHE A 82 -2.436 3.958 -9.348 1.00 0.00 C ATOM 1113 CZ PHE A 82 -2.981 3.680 -10.585 1.00 0.00 C ATOM 0 H PHE A 82 -4.568 6.181 -6.343 1.00 0.00 H new ATOM 0 HA PHE A 82 -6.973 5.181 -7.725 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -4.869 3.587 -6.234 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -6.205 2.956 -7.177 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -6.195 3.261 -9.677 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -2.813 4.206 -7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -4.762 3.212 -11.669 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -1.378 4.153 -9.255 1.00 0.00 H new ATOM 0 HZ PHE A 82 -2.350 3.658 -11.461 1.00 0.00 H new ATOM 1123 N SER A 83 -8.144 4.519 -5.623 1.00 0.00 N ATOM 1124 CA SER A 83 -8.995 4.394 -4.469 1.00 0.00 C ATOM 1125 C SER A 83 -8.731 3.048 -3.742 1.00 0.00 C ATOM 1126 O SER A 83 -7.871 2.279 -4.163 1.00 0.00 O ATOM 1127 CB SER A 83 -10.464 4.538 -4.895 1.00 0.00 C ATOM 1128 OG SER A 83 -11.330 4.649 -3.768 1.00 0.00 O ATOM 0 H SER A 83 -8.546 4.117 -6.470 1.00 0.00 H new ATOM 0 HA SER A 83 -8.769 5.191 -3.760 1.00 0.00 H new ATOM 0 HB2 SER A 83 -10.575 5.419 -5.528 1.00 0.00 H new ATOM 0 HB3 SER A 83 -10.755 3.676 -5.495 1.00 0.00 H new ATOM 0 HG SER A 83 -12.256 4.741 -4.075 1.00 0.00 H new ATOM 1134 N ALA A 84 -9.518 2.781 -2.692 1.00 0.00 N ATOM 1135 CA ALA A 84 -9.362 1.640 -1.762 1.00 0.00 C ATOM 1136 C ALA A 84 -9.133 0.284 -2.463 1.00 0.00 C ATOM 1137 O ALA A 84 -8.068 -0.374 -2.321 1.00 0.00 O ATOM 1138 CB ALA A 84 -10.620 1.510 -0.935 1.00 0.00 C ATOM 0 H ALA A 84 -10.313 3.373 -2.452 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.478 1.857 -1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.517 0.672 -0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.780 2.428 -0.369 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -11.472 1.336 -1.593 1.00 0.00 H new ATOM 1144 N ASP A 85 -10.127 -0.130 -3.217 1.00 0.00 N ATOM 1145 CA ASP A 85 -10.125 -1.429 -3.873 1.00 0.00 C ATOM 1146 C ASP A 85 -9.117 -1.448 -4.984 1.00 0.00 C ATOM 1147 O ASP A 85 -8.493 -2.461 -5.250 1.00 0.00 O ATOM 1148 CB ASP A 85 -11.524 -1.797 -4.398 1.00 0.00 C ATOM 1149 CG ASP A 85 -12.529 -2.105 -3.300 1.00 0.00 C ATOM 1150 OD1 ASP A 85 -12.996 -1.163 -2.602 1.00 0.00 O ATOM 1151 OD2 ASP A 85 -12.900 -3.286 -3.145 1.00 0.00 O ATOM 0 H ASP A 85 -10.965 0.423 -3.396 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.846 -2.180 -3.134 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -11.903 -0.974 -5.004 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -11.440 -2.663 -5.054 1.00 0.00 H new ATOM 1156 N GLN A 86 -8.928 -0.308 -5.595 1.00 0.00 N ATOM 1157 CA GLN A 86 -7.955 -0.169 -6.660 1.00 0.00 C ATOM 1158 C GLN A 86 -6.566 -0.351 -6.175 1.00 0.00 C ATOM 1159 O GLN A 86 -5.851 -1.177 -6.723 1.00 0.00 O ATOM 1160 CB GLN A 86 -8.109 1.138 -7.399 1.00 0.00 C ATOM 1161 CG GLN A 86 -9.356 1.218 -8.233 1.00 0.00 C ATOM 1162 CD GLN A 86 -9.444 0.044 -9.148 1.00 0.00 C ATOM 1163 OE1 GLN A 86 -10.081 -0.957 -8.845 1.00 0.00 O ATOM 1164 NE2 GLN A 86 -8.733 0.101 -10.211 1.00 0.00 N ATOM 0 H GLN A 86 -9.437 0.548 -5.375 1.00 0.00 H new ATOM 0 HA GLN A 86 -8.158 -0.971 -7.369 1.00 0.00 H new ATOM 0 HB2 GLN A 86 -8.112 1.955 -6.677 1.00 0.00 H new ATOM 0 HB3 GLN A 86 -7.242 1.285 -8.043 1.00 0.00 H new ATOM 0 HG2 GLN A 86 -10.233 1.250 -7.586 1.00 0.00 H new ATOM 0 HG3 GLN A 86 -9.355 2.141 -8.813 1.00 0.00 H new ATOM 0 HE21 GLN A 86 -8.215 0.951 -10.433 1.00 0.00 H new ATOM 0 HE22 GLN A 86 -8.685 -0.704 -10.836 1.00 0.00 H new ATOM 1173 N VAL A 87 -6.177 0.382 -5.150 1.00 0.00 N ATOM 1174 CA VAL A 87 -4.856 0.220 -4.604 1.00 0.00 C ATOM 1175 C VAL A 87 -4.663 -1.213 -4.141 1.00 0.00 C ATOM 1176 O VAL A 87 -3.681 -1.821 -4.461 1.00 0.00 O ATOM 1177 CB VAL A 87 -4.492 1.242 -3.466 1.00 0.00 C ATOM 1178 CG1 VAL A 87 -4.416 2.650 -3.996 1.00 0.00 C ATOM 1179 CG2 VAL A 87 -5.477 1.207 -2.347 1.00 0.00 C ATOM 0 H VAL A 87 -6.753 1.085 -4.688 1.00 0.00 H new ATOM 0 HA VAL A 87 -4.160 0.445 -5.412 1.00 0.00 H new ATOM 0 HB VAL A 87 -3.515 0.939 -3.089 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -4.163 3.331 -3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -3.650 2.707 -4.770 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -5.380 2.932 -4.419 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -5.186 1.929 -1.584 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -6.467 1.459 -2.726 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -5.498 0.208 -1.912 1.00 0.00 H new ATOM 1189 N THR A 88 -5.664 -1.794 -3.506 1.00 0.00 N ATOM 1190 CA THR A 88 -5.498 -3.135 -2.976 1.00 0.00 C ATOM 1191 C THR A 88 -5.477 -4.258 -4.001 1.00 0.00 C ATOM 1192 O THR A 88 -4.676 -5.224 -3.885 1.00 0.00 O ATOM 1193 CB THR A 88 -6.437 -3.405 -1.836 1.00 0.00 C ATOM 1194 OG1 THR A 88 -7.775 -3.068 -2.214 1.00 0.00 O ATOM 1195 CG2 THR A 88 -6.026 -2.563 -0.684 1.00 0.00 C ATOM 0 H THR A 88 -6.579 -1.372 -3.347 1.00 0.00 H new ATOM 0 HA THR A 88 -4.481 -3.143 -2.584 1.00 0.00 H new ATOM 0 HB THR A 88 -6.401 -4.461 -1.570 1.00 0.00 H new ATOM 0 HG1 THR A 88 -7.911 -2.103 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 88 -6.696 -2.744 0.156 1.00 0.00 H new ATOM 0 HG22 THR A 88 -5.006 -2.815 -0.395 1.00 0.00 H new ATOM 0 HG23 THR A 88 -6.074 -1.511 -0.966 1.00 0.00 H new ATOM 1203 N ARG A 89 -6.269 -4.130 -5.006 1.00 0.00 N ATOM 1204 CA ARG A 89 -6.337 -5.154 -6.017 1.00 0.00 C ATOM 1205 C ARG A 89 -5.140 -5.018 -6.924 1.00 0.00 C ATOM 1206 O ARG A 89 -4.514 -6.022 -7.284 1.00 0.00 O ATOM 1207 CB ARG A 89 -7.651 -5.095 -6.806 1.00 0.00 C ATOM 1208 CG ARG A 89 -7.776 -6.189 -7.846 1.00 0.00 C ATOM 1209 CD ARG A 89 -7.785 -7.541 -7.184 1.00 0.00 C ATOM 1210 NE ARG A 89 -7.529 -8.615 -8.128 1.00 0.00 N ATOM 1211 CZ ARG A 89 -6.844 -9.714 -7.825 1.00 0.00 C ATOM 1212 NH1 ARG A 89 -6.422 -9.910 -6.584 1.00 0.00 N ATOM 1213 NH2 ARG A 89 -6.590 -10.619 -8.753 1.00 0.00 N ATOM 0 H ARG A 89 -6.884 -3.331 -5.160 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.319 -6.131 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -8.487 -5.167 -6.111 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -7.728 -4.125 -7.298 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.692 -6.052 -8.420 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -6.946 -6.127 -8.550 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -7.031 -7.564 -6.397 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.751 -7.703 -6.705 1.00 0.00 H new ATOM 0 HE ARG A 89 -7.895 -8.521 -9.076 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -6.623 -9.218 -5.862 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.897 -10.753 -6.351 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.920 -10.477 -9.708 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -6.064 -11.460 -8.515 1.00 0.00 H new ATOM 1227 N ALA A 90 -4.794 -3.774 -7.261 1.00 0.00 N ATOM 1228 CA ALA A 90 -3.584 -3.518 -8.038 1.00 0.00 C ATOM 1229 C ALA A 90 -2.386 -3.997 -7.263 1.00 0.00 C ATOM 1230 O ALA A 90 -1.470 -4.531 -7.859 1.00 0.00 O ATOM 1231 CB ALA A 90 -3.436 -2.049 -8.403 1.00 0.00 C ATOM 0 H ALA A 90 -5.327 -2.941 -7.012 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.659 -4.067 -8.976 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -2.522 -1.908 -8.980 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -4.293 -1.734 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -3.386 -1.451 -7.493 1.00 0.00 H new ATOM 1237 N LEU A 91 -2.405 -3.815 -5.911 1.00 0.00 N ATOM 1238 CA LEU A 91 -1.362 -4.379 -5.049 1.00 0.00 C ATOM 1239 C LEU A 91 -1.234 -5.835 -5.310 1.00 0.00 C ATOM 1240 O LEU A 91 -0.205 -6.287 -5.709 1.00 0.00 O ATOM 1241 CB LEU A 91 -1.619 -4.208 -3.518 1.00 0.00 C ATOM 1242 CG LEU A 91 -0.817 -3.122 -2.768 1.00 0.00 C ATOM 1243 CD1 LEU A 91 -0.972 -1.759 -3.386 1.00 0.00 C ATOM 1244 CD2 LEU A 91 -1.214 -3.086 -1.304 1.00 0.00 C ATOM 0 H LEU A 91 -3.125 -3.289 -5.416 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.458 -3.822 -5.297 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -2.679 -3.997 -3.378 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.418 -5.165 -3.036 1.00 0.00 H new ATOM 0 HG LEU A 91 0.236 -3.392 -2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -0.388 -1.034 -2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.618 -1.784 -4.417 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -2.023 -1.470 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.639 -2.315 -0.790 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.277 -2.862 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.011 -4.055 -0.848 1.00 0.00 H new ATOM 1256 N GLU A 92 -2.309 -6.555 -5.156 1.00 0.00 N ATOM 1257 CA GLU A 92 -2.233 -8.018 -5.243 1.00 0.00 C ATOM 1258 C GLU A 92 -1.766 -8.430 -6.625 1.00 0.00 C ATOM 1259 O GLU A 92 -0.856 -9.267 -6.750 1.00 0.00 O ATOM 1260 CB GLU A 92 -3.567 -8.639 -4.813 1.00 0.00 C ATOM 1261 CG GLU A 92 -3.534 -10.113 -4.332 1.00 0.00 C ATOM 1262 CD GLU A 92 -3.485 -11.163 -5.436 1.00 0.00 C ATOM 1263 OE1 GLU A 92 -4.564 -11.622 -5.881 1.00 0.00 O ATOM 1264 OE2 GLU A 92 -2.397 -11.581 -5.845 1.00 0.00 O ATOM 0 H GLU A 92 -3.239 -6.179 -4.973 1.00 0.00 H new ATOM 0 HA GLU A 92 -1.488 -8.406 -4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.981 -8.030 -4.010 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.258 -8.572 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -2.665 -10.247 -3.688 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -4.416 -10.297 -3.719 1.00 0.00 H new ATOM 1271 N ASN A 93 -2.314 -7.767 -7.626 1.00 0.00 N ATOM 1272 CA ASN A 93 -1.885 -7.914 -9.003 1.00 0.00 C ATOM 1273 C ASN A 93 -0.363 -7.814 -9.088 1.00 0.00 C ATOM 1274 O ASN A 93 0.340 -8.838 -9.315 1.00 0.00 O ATOM 1275 CB ASN A 93 -2.563 -6.830 -9.880 1.00 0.00 C ATOM 1276 CG ASN A 93 -3.926 -7.237 -10.397 1.00 0.00 C ATOM 1277 OD1 ASN A 93 -4.206 -8.420 -10.595 1.00 0.00 O ATOM 1278 ND2 ASN A 93 -4.768 -6.272 -10.662 1.00 0.00 N ATOM 0 H ASN A 93 -3.079 -7.103 -7.504 1.00 0.00 H new ATOM 0 HA ASN A 93 -2.183 -8.894 -9.375 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.663 -5.914 -9.298 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.915 -6.602 -10.727 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.688 -6.489 -11.045 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.504 -5.302 -10.486 1.00 0.00 H new ATOM 1285 N VAL A 94 0.154 -6.648 -8.774 1.00 0.00 N ATOM 1286 CA VAL A 94 1.568 -6.403 -8.855 1.00 0.00 C ATOM 1287 C VAL A 94 2.400 -7.231 -7.930 1.00 0.00 C ATOM 1288 O VAL A 94 3.308 -7.908 -8.367 1.00 0.00 O ATOM 1289 CB VAL A 94 1.982 -4.921 -8.694 1.00 0.00 C ATOM 1290 CG1 VAL A 94 1.555 -4.091 -9.881 1.00 0.00 C ATOM 1291 CG2 VAL A 94 1.483 -4.278 -7.405 1.00 0.00 C ATOM 0 H VAL A 94 -0.395 -5.849 -8.457 1.00 0.00 H new ATOM 0 HA VAL A 94 1.778 -6.710 -9.880 1.00 0.00 H new ATOM 0 HB VAL A 94 3.070 -4.938 -8.639 1.00 0.00 H new ATOM 0 HG11 VAL A 94 1.863 -3.056 -9.731 1.00 0.00 H new ATOM 0 HG12 VAL A 94 2.022 -4.482 -10.785 1.00 0.00 H new ATOM 0 HG13 VAL A 94 0.471 -4.135 -9.985 1.00 0.00 H new ATOM 0 HG21 VAL A 94 1.813 -3.240 -7.365 1.00 0.00 H new ATOM 0 HG22 VAL A 94 0.394 -4.314 -7.379 1.00 0.00 H new ATOM 0 HG23 VAL A 94 1.885 -4.820 -6.549 1.00 0.00 H new ATOM 1301 N LEU A 95 2.064 -7.261 -6.709 1.00 0.00 N ATOM 1302 CA LEU A 95 3.021 -7.745 -5.759 1.00 0.00 C ATOM 1303 C LEU A 95 2.852 -9.128 -5.308 1.00 0.00 C ATOM 1304 O LEU A 95 3.707 -9.669 -4.594 1.00 0.00 O ATOM 1305 CB LEU A 95 3.205 -6.773 -4.634 1.00 0.00 C ATOM 1306 CG LEU A 95 1.937 -6.294 -3.912 1.00 0.00 C ATOM 1307 CD1 LEU A 95 1.308 -7.331 -2.980 1.00 0.00 C ATOM 1308 CD2 LEU A 95 2.145 -4.964 -3.238 1.00 0.00 C ATOM 0 H LEU A 95 1.163 -6.969 -6.330 1.00 0.00 H new ATOM 0 HA LEU A 95 3.955 -7.805 -6.318 1.00 0.00 H new ATOM 0 HB2 LEU A 95 3.863 -7.231 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 95 3.724 -5.897 -5.024 1.00 0.00 H new ATOM 0 HG LEU A 95 1.196 -6.151 -4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.419 -6.908 -2.513 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.031 -8.215 -3.554 1.00 0.00 H new ATOM 0 HD13 LEU A 95 2.026 -7.610 -2.208 1.00 0.00 H new ATOM 0 HD21 LEU A 95 1.224 -4.661 -2.739 1.00 0.00 H new ATOM 0 HD22 LEU A 95 2.945 -5.050 -2.503 1.00 0.00 H new ATOM 0 HD23 LEU A 95 2.416 -4.217 -3.984 1.00 0.00 H new ATOM 1320 N SER A 96 1.801 -9.689 -5.624 1.00 0.00 N ATOM 1321 CA SER A 96 1.719 -11.039 -5.348 1.00 0.00 C ATOM 1322 C SER A 96 1.792 -11.787 -6.670 1.00 0.00 C ATOM 1323 O SER A 96 2.156 -12.956 -6.705 1.00 0.00 O ATOM 1324 CB SER A 96 0.475 -11.375 -4.536 1.00 0.00 C ATOM 1325 OG SER A 96 0.443 -10.618 -3.319 1.00 0.00 O ATOM 0 H SER A 96 0.990 -9.258 -6.067 1.00 0.00 H new ATOM 0 HA SER A 96 2.552 -11.351 -4.718 1.00 0.00 H new ATOM 0 HB2 SER A 96 -0.418 -11.164 -5.125 1.00 0.00 H new ATOM 0 HB3 SER A 96 0.461 -12.441 -4.307 1.00 0.00 H new ATOM 0 HG SER A 96 -0.364 -10.847 -2.813 1.00 0.00 H new ATOM 1331 N GLY A 97 1.508 -11.080 -7.786 1.00 0.00 N ATOM 1332 CA GLY A 97 1.559 -11.730 -9.043 1.00 0.00 C ATOM 1333 C GLY A 97 2.809 -11.441 -9.843 1.00 0.00 C ATOM 1334 O GLY A 97 3.434 -12.374 -10.357 1.00 0.00 O ATOM 0 H GLY A 97 1.253 -10.093 -7.809 1.00 0.00 H new ATOM 0 HA2 GLY A 97 1.483 -12.806 -8.886 1.00 0.00 H new ATOM 0 HA3 GLY A 97 0.690 -11.431 -9.629 1.00 0.00 H new ATOM 1338 N LYS A 98 3.227 -10.173 -9.957 1.00 0.00 N ATOM 1339 CA LYS A 98 4.305 -9.913 -10.912 1.00 0.00 C ATOM 1340 C LYS A 98 5.625 -9.800 -10.276 1.00 0.00 C ATOM 1341 O LYS A 98 6.621 -10.376 -10.706 1.00 0.00 O ATOM 1342 CB LYS A 98 4.007 -8.811 -11.967 1.00 0.00 C ATOM 1343 CG LYS A 98 3.580 -7.413 -11.497 1.00 0.00 C ATOM 1344 CD LYS A 98 4.748 -6.560 -10.991 1.00 0.00 C ATOM 1345 CE LYS A 98 5.791 -6.253 -12.077 1.00 0.00 C ATOM 1346 NZ LYS A 98 5.251 -5.424 -13.175 1.00 0.00 N ATOM 0 H LYS A 98 2.867 -9.369 -9.443 1.00 0.00 H new ATOM 0 HA LYS A 98 4.350 -10.818 -11.517 1.00 0.00 H new ATOM 0 HB2 LYS A 98 4.902 -8.692 -12.577 1.00 0.00 H new ATOM 0 HB3 LYS A 98 3.223 -9.189 -12.623 1.00 0.00 H new ATOM 0 HG2 LYS A 98 3.091 -6.894 -12.321 1.00 0.00 H new ATOM 0 HG3 LYS A 98 2.842 -7.515 -10.701 1.00 0.00 H new ATOM 0 HD2 LYS A 98 4.359 -5.622 -10.595 1.00 0.00 H new ATOM 0 HD3 LYS A 98 5.235 -7.077 -10.165 1.00 0.00 H new ATOM 0 HE2 LYS A 98 6.639 -5.740 -11.624 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.168 -7.190 -12.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 6.014 -5.192 -13.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 4.504 -5.950 -13.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 4.854 -4.546 -12.784 1.00 0.00 H new ATOM 1360 N ALA A 99 5.619 -9.067 -9.291 1.00 0.00 N ATOM 1361 CA ALA A 99 6.736 -8.808 -8.506 1.00 0.00 C ATOM 1362 C ALA A 99 6.725 -9.775 -7.347 1.00 0.00 C ATOM 1363 O ALA A 99 6.099 -9.492 -6.326 1.00 0.00 O ATOM 1364 CB ALA A 99 6.656 -7.376 -8.054 1.00 0.00 C ATOM 1365 OXT ALA A 99 7.311 -10.858 -7.480 1.00 0.00 O ATOM 0 H ALA A 99 4.780 -8.585 -8.969 1.00 0.00 H new ATOM 0 HA ALA A 99 7.671 -8.943 -9.050 1.00 0.00 H new ATOM 0 HB1 ALA A 99 7.521 -7.141 -7.434 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.645 -6.720 -8.924 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.744 -7.227 -7.476 1.00 0.00 H new TER 1371 ALA A 99