USER MOD reduce.3.24.130724 H: found=0, std=0, add=571, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 573 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 Single : A 3 LYS NZ :NH3+ 157:sc= -0.217 (180deg=-0.91) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= 0.184 X(o=0.18,f=-0.2) USER MOD Single : A 13 ASN : amide:sc= -0.462 X(o=-0.46,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 177:sc= 0.679 (180deg=0.634) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -2.68 K(o=-2.7,f=-4.4!) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 76:sc= 0.786 USER MOD Single : A 24 ASN :FLIP amide:sc= -1.86! C(o=-4.2!,f=-1.9!) USER MOD Single : A 25 MET CE :methyl 177:sc= 0 (180deg=-0.0156) USER MOD Single : A 28 THR OG1 : rot 77:sc= 0.626 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 103 LYS NZ :NH3+ 153:sc= -0.416 (180deg=-1.33!) USER MOD Single : B 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 106 TYR OH : rot 180:sc= 0 USER MOD Single : B 108 GLN : amide:sc= -0.128 X(o=-0.13,f=-0.078) USER MOD Single : B 113 ASN : amide:sc= -0.338 X(o=-0.34,f=0) USER MOD Single : B 115 LYS NZ :NH3+ -147:sc= 1.18 (180deg=0.441) USER MOD Single : B 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 119 GLN : amide:sc= -2.5! C(o=-2.5!,f=-2.9!) USER MOD Single : B 121 HIS : no HE2:sc= 0.218 K(o=0.22,f=-0.78) USER MOD Single : B 123 THR OG1 : rot 78:sc= 1.23 USER MOD Single : B 124 ASN : amide:sc= -0.513 X(o=-0.51,f=-0.58) USER MOD Single : B 125 MET CE :methyl -160:sc= -0.117 (180deg=-0.592) USER MOD Single : B 128 THR OG1 : rot 69:sc= 1.25 USER MOD Single : B 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 133 GLN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 3 10.997 -7.376 22.868 1.00 32.32 N ATOM 36 CA LYS A 3 9.961 -6.332 22.961 1.00 74.13 C ATOM 37 C LYS A 3 10.116 -5.334 21.798 1.00 64.05 C ATOM 38 O LYS A 3 9.131 -4.838 21.242 1.00 63.02 O ATOM 39 CB LYS A 3 9.988 -5.635 24.357 1.00 43.11 C ATOM 40 CG LYS A 3 10.972 -4.446 24.570 1.00 24.44 C ATOM 41 CD LYS A 3 12.475 -4.773 24.308 1.00 12.40 C ATOM 42 CE LYS A 3 13.417 -3.890 25.130 1.00 60.01 C ATOM 43 NZ LYS A 3 13.123 -3.935 26.594 1.00 42.25 N ATOM 0 HA LYS A 3 8.978 -6.794 22.870 1.00 74.13 H new ATOM 0 HB2 LYS A 3 8.981 -5.275 24.568 1.00 43.11 H new ATOM 0 HB3 LYS A 3 10.218 -6.395 25.104 1.00 43.11 H new ATOM 0 HG2 LYS A 3 10.675 -3.627 23.914 1.00 24.44 H new ATOM 0 HG3 LYS A 3 10.868 -4.088 25.594 1.00 24.44 H new ATOM 0 HD2 LYS A 3 12.663 -5.820 24.546 1.00 12.40 H new ATOM 0 HD3 LYS A 3 12.693 -4.643 23.248 1.00 12.40 H new ATOM 0 HE2 LYS A 3 14.446 -4.208 24.961 1.00 60.01 H new ATOM 0 HE3 LYS A 3 13.340 -2.861 24.780 1.00 60.01 H new ATOM 0 HZ1 LYS A 3 13.974 -3.664 27.127 1.00 42.25 H new ATOM 0 HZ2 LYS A 3 12.351 -3.274 26.814 1.00 42.25 H new ATOM 0 HZ3 LYS A 3 12.839 -4.899 26.862 1.00 42.25 H new ATOM 57 N LYS A 4 11.390 -5.084 21.427 1.00 5.51 N ATOM 58 CA LYS A 4 11.730 -4.179 20.327 1.00 5.43 C ATOM 59 C LYS A 4 11.645 -4.936 19.001 1.00 52.03 C ATOM 60 O LYS A 4 11.406 -4.322 17.983 1.00 33.44 O ATOM 61 CB LYS A 4 13.135 -3.529 20.534 1.00 24.52 C ATOM 62 CG LYS A 4 14.358 -4.460 20.293 1.00 62.10 C ATOM 63 CD LYS A 4 15.096 -4.179 18.945 1.00 44.53 C ATOM 64 CE LYS A 4 15.948 -5.367 18.469 1.00 62.04 C ATOM 65 NZ LYS A 4 16.810 -5.015 17.303 1.00 14.43 N ATOM 0 H LYS A 4 12.200 -5.504 21.882 1.00 5.51 H new ATOM 0 HA LYS A 4 11.011 -3.360 20.308 1.00 5.43 H new ATOM 0 HB2 LYS A 4 13.219 -2.672 19.866 1.00 24.52 H new ATOM 0 HB3 LYS A 4 13.190 -3.146 21.553 1.00 24.52 H new ATOM 0 HG2 LYS A 4 15.063 -4.342 21.116 1.00 62.10 H new ATOM 0 HG3 LYS A 4 14.024 -5.497 20.306 1.00 62.10 H new ATOM 0 HD2 LYS A 4 14.361 -3.936 18.178 1.00 44.53 H new ATOM 0 HD3 LYS A 4 15.735 -3.304 19.062 1.00 44.53 H new ATOM 0 HE2 LYS A 4 16.575 -5.713 19.290 1.00 62.04 H new ATOM 0 HE3 LYS A 4 15.293 -6.195 18.197 1.00 62.04 H new ATOM 0 HZ1 LYS A 4 17.365 -5.847 17.018 1.00 14.43 H new ATOM 0 HZ2 LYS A 4 16.212 -4.709 16.509 1.00 14.43 H new ATOM 0 HZ3 LYS A 4 17.454 -4.243 17.568 1.00 14.43 H new ATOM 79 N LEU A 5 11.836 -6.286 19.032 1.00 1.13 N ATOM 80 CA LEU A 5 11.650 -7.151 17.844 1.00 71.13 C ATOM 81 C LEU A 5 10.234 -6.958 17.282 1.00 1.32 C ATOM 82 O LEU A 5 10.048 -6.820 16.066 1.00 14.52 O ATOM 83 CB LEU A 5 11.836 -8.648 18.192 1.00 25.44 C ATOM 84 CG LEU A 5 11.727 -9.630 16.979 1.00 0.21 C ATOM 85 CD1 LEU A 5 12.999 -9.584 16.121 1.00 24.11 C ATOM 86 CD2 LEU A 5 11.393 -11.064 17.420 1.00 61.24 C ATOM 0 H LEU A 5 12.119 -6.793 19.871 1.00 1.13 H new ATOM 0 HA LEU A 5 12.402 -6.865 17.109 1.00 71.13 H new ATOM 0 HB2 LEU A 5 12.813 -8.778 18.658 1.00 25.44 H new ATOM 0 HB3 LEU A 5 11.089 -8.928 18.934 1.00 25.44 H new ATOM 0 HG LEU A 5 10.893 -9.293 16.363 1.00 0.21 H new ATOM 0 HD11 LEU A 5 12.899 -10.275 15.284 1.00 24.11 H new ATOM 0 HD12 LEU A 5 13.145 -8.573 15.741 1.00 24.11 H new ATOM 0 HD13 LEU A 5 13.858 -9.871 16.728 1.00 24.11 H new ATOM 0 HD21 LEU A 5 11.328 -11.708 16.543 1.00 61.24 H new ATOM 0 HD22 LEU A 5 12.175 -11.432 18.084 1.00 61.24 H new ATOM 0 HD23 LEU A 5 10.438 -11.070 17.946 1.00 61.24 H new ATOM 98 N TYR A 6 9.252 -6.959 18.220 1.00 22.15 N ATOM 99 CA TYR A 6 7.852 -6.648 17.933 1.00 34.21 C ATOM 100 C TYR A 6 7.762 -5.285 17.248 1.00 54.40 C ATOM 101 O TYR A 6 7.237 -5.182 16.151 1.00 14.22 O ATOM 102 CB TYR A 6 7.032 -6.678 19.256 1.00 71.43 C ATOM 103 CG TYR A 6 5.504 -6.736 19.066 1.00 45.42 C ATOM 104 CD1 TYR A 6 4.757 -5.588 18.785 1.00 50.13 C ATOM 105 CD2 TYR A 6 4.816 -7.954 19.155 1.00 21.24 C ATOM 106 CE1 TYR A 6 3.390 -5.655 18.587 1.00 15.43 C ATOM 107 CE2 TYR A 6 3.450 -8.022 18.962 1.00 31.32 C ATOM 108 CZ TYR A 6 2.744 -6.871 18.680 1.00 45.35 C ATOM 109 OH TYR A 6 1.380 -6.939 18.478 1.00 22.24 O ATOM 0 H TYR A 6 9.425 -7.179 19.201 1.00 22.15 H new ATOM 0 HA TYR A 6 7.432 -7.394 17.258 1.00 34.21 H new ATOM 0 HB2 TYR A 6 7.345 -7.543 19.842 1.00 71.43 H new ATOM 0 HB3 TYR A 6 7.278 -5.791 19.840 1.00 71.43 H new ATOM 0 HD1 TYR A 6 5.256 -4.632 18.721 1.00 50.13 H new ATOM 0 HD2 TYR A 6 5.365 -8.857 19.379 1.00 21.24 H new ATOM 0 HE1 TYR A 6 2.830 -4.760 18.361 1.00 15.43 H new ATOM 0 HE2 TYR A 6 2.938 -8.970 19.031 1.00 31.32 H new ATOM 0 HH TYR A 6 1.080 -7.867 18.578 1.00 22.24 H new ATOM 119 N GLU A 7 8.367 -4.277 17.901 1.00 31.54 N ATOM 120 CA GLU A 7 8.360 -2.876 17.450 1.00 61.12 C ATOM 121 C GLU A 7 8.971 -2.694 16.047 1.00 65.41 C ATOM 122 O GLU A 7 8.498 -1.853 15.297 1.00 24.43 O ATOM 123 CB GLU A 7 9.116 -2.006 18.486 1.00 11.32 C ATOM 124 CG GLU A 7 8.398 -1.890 19.845 1.00 45.31 C ATOM 125 CD GLU A 7 9.158 -1.029 20.865 1.00 51.11 C ATOM 126 OE1 GLU A 7 9.961 -1.580 21.651 1.00 74.44 O ATOM 127 OE2 GLU A 7 8.955 0.209 20.893 1.00 61.30 O ATOM 0 H GLU A 7 8.882 -4.416 18.770 1.00 31.54 H new ATOM 0 HA GLU A 7 7.320 -2.557 17.375 1.00 61.12 H new ATOM 0 HB2 GLU A 7 10.108 -2.428 18.645 1.00 11.32 H new ATOM 0 HB3 GLU A 7 9.257 -1.007 18.074 1.00 11.32 H new ATOM 0 HG2 GLU A 7 7.407 -1.465 19.689 1.00 45.31 H new ATOM 0 HG3 GLU A 7 8.255 -2.888 20.258 1.00 45.31 H new ATOM 134 N GLN A 8 10.018 -3.487 15.716 1.00 23.44 N ATOM 135 CA GLN A 8 10.746 -3.375 14.425 1.00 71.05 C ATOM 136 C GLN A 8 9.831 -3.717 13.246 1.00 72.10 C ATOM 137 O GLN A 8 9.547 -2.843 12.417 1.00 14.24 O ATOM 138 CB GLN A 8 12.045 -4.247 14.394 1.00 23.14 C ATOM 139 CG GLN A 8 13.101 -3.909 15.482 1.00 52.14 C ATOM 140 CD GLN A 8 13.222 -2.402 15.780 1.00 53.30 C ATOM 141 OE1 GLN A 8 14.029 -1.693 15.180 1.00 42.34 O ATOM 142 NE2 GLN A 8 12.402 -1.906 16.703 1.00 42.42 N ATOM 0 H GLN A 8 10.381 -4.217 16.329 1.00 23.44 H new ATOM 0 HA GLN A 8 11.059 -2.335 14.329 1.00 71.05 H new ATOM 0 HB2 GLN A 8 11.762 -5.294 14.500 1.00 23.14 H new ATOM 0 HB3 GLN A 8 12.511 -4.140 13.414 1.00 23.14 H new ATOM 0 HG2 GLN A 8 12.842 -4.433 16.402 1.00 52.14 H new ATOM 0 HG3 GLN A 8 14.072 -4.286 15.163 1.00 52.14 H new ATOM 0 HE21 GLN A 8 11.744 -2.520 17.183 1.00 42.42 H new ATOM 0 HE22 GLN A 8 12.432 -0.912 16.930 1.00 42.42 H new ATOM 151 N ILE A 9 9.362 -4.989 13.171 1.00 63.13 N ATOM 152 CA ILE A 9 8.436 -5.412 12.101 1.00 43.33 C ATOM 153 C ILE A 9 7.127 -4.588 12.135 1.00 62.33 C ATOM 154 O ILE A 9 6.618 -4.220 11.085 1.00 52.23 O ATOM 155 CB ILE A 9 8.040 -6.928 12.158 1.00 52.32 C ATOM 156 CG1 ILE A 9 9.255 -7.847 12.434 1.00 55.41 C ATOM 157 CG2 ILE A 9 7.335 -7.352 10.836 1.00 4.42 C ATOM 158 CD1 ILE A 9 8.868 -9.304 12.572 1.00 52.05 C ATOM 0 H ILE A 9 9.608 -5.727 13.831 1.00 63.13 H new ATOM 0 HA ILE A 9 8.991 -5.238 11.179 1.00 43.33 H new ATOM 0 HB ILE A 9 7.350 -7.047 12.993 1.00 52.32 H new ATOM 0 HG12 ILE A 9 9.976 -7.742 11.623 1.00 55.41 H new ATOM 0 HG13 ILE A 9 9.753 -7.520 13.347 1.00 55.41 H new ATOM 0 HG21 ILE A 9 7.066 -8.407 10.889 1.00 4.42 H new ATOM 0 HG22 ILE A 9 6.434 -6.754 10.696 1.00 4.42 H new ATOM 0 HG23 ILE A 9 8.011 -7.192 9.996 1.00 4.42 H new ATOM 0 HD11 ILE A 9 9.760 -9.901 12.764 1.00 52.05 H new ATOM 0 HD12 ILE A 9 8.169 -9.418 13.401 1.00 52.05 H new ATOM 0 HD13 ILE A 9 8.396 -9.644 11.650 1.00 52.05 H new ATOM 170 N LEU A 10 6.603 -4.319 13.353 1.00 74.33 N ATOM 171 CA LEU A 10 5.312 -3.607 13.550 1.00 54.21 C ATOM 172 C LEU A 10 5.413 -2.139 13.079 1.00 11.43 C ATOM 173 O LEU A 10 4.428 -1.579 12.607 1.00 20.41 O ATOM 174 CB LEU A 10 4.836 -3.709 15.044 1.00 22.25 C ATOM 175 CG LEU A 10 3.288 -3.648 15.341 1.00 44.41 C ATOM 176 CD1 LEU A 10 2.667 -2.261 15.085 1.00 44.30 C ATOM 177 CD2 LEU A 10 2.530 -4.753 14.567 1.00 60.53 C ATOM 0 H LEU A 10 7.058 -4.587 14.226 1.00 74.33 H new ATOM 0 HA LEU A 10 4.556 -4.094 12.934 1.00 54.21 H new ATOM 0 HB2 LEU A 10 5.216 -4.646 15.451 1.00 22.25 H new ATOM 0 HB3 LEU A 10 5.314 -2.903 15.601 1.00 22.25 H new ATOM 0 HG LEU A 10 3.177 -3.832 16.410 1.00 44.41 H new ATOM 0 HD11 LEU A 10 1.601 -2.293 15.310 1.00 44.30 H new ATOM 0 HD12 LEU A 10 3.151 -1.522 15.724 1.00 44.30 H new ATOM 0 HD13 LEU A 10 2.809 -1.986 14.040 1.00 44.30 H new ATOM 0 HD21 LEU A 10 1.465 -4.688 14.790 1.00 60.53 H new ATOM 0 HD22 LEU A 10 2.685 -4.619 13.496 1.00 60.53 H new ATOM 0 HD23 LEU A 10 2.905 -5.731 14.869 1.00 60.53 H new ATOM 189 N ALA A 11 6.616 -1.535 13.184 1.00 4.45 N ATOM 190 CA ALA A 11 6.871 -0.168 12.676 1.00 31.53 C ATOM 191 C ALA A 11 6.692 -0.142 11.149 1.00 51.02 C ATOM 192 O ALA A 11 6.038 0.756 10.599 1.00 50.22 O ATOM 193 CB ALA A 11 8.282 0.304 13.065 1.00 35.53 C ATOM 0 H ALA A 11 7.429 -1.973 13.617 1.00 4.45 H new ATOM 0 HA ALA A 11 6.153 0.516 13.129 1.00 31.53 H new ATOM 0 HB1 ALA A 11 8.448 1.311 12.681 1.00 35.53 H new ATOM 0 HB2 ALA A 11 8.377 0.309 14.151 1.00 35.53 H new ATOM 0 HB3 ALA A 11 9.022 -0.373 12.639 1.00 35.53 H new ATOM 199 N GLU A 12 7.265 -1.170 10.489 1.00 4.23 N ATOM 200 CA GLU A 12 7.149 -1.363 9.041 1.00 43.31 C ATOM 201 C GLU A 12 5.707 -1.763 8.666 1.00 45.20 C ATOM 202 O GLU A 12 5.192 -1.320 7.664 1.00 20.21 O ATOM 203 CB GLU A 12 8.145 -2.454 8.562 1.00 62.04 C ATOM 204 CG GLU A 12 8.267 -2.588 7.019 1.00 32.02 C ATOM 205 CD GLU A 12 9.217 -1.559 6.373 1.00 62.30 C ATOM 206 OE1 GLU A 12 9.028 -0.344 6.578 1.00 73.13 O ATOM 207 OE2 GLU A 12 10.151 -1.959 5.642 1.00 13.20 O ATOM 0 H GLU A 12 7.821 -1.888 10.953 1.00 4.23 H new ATOM 0 HA GLU A 12 7.392 -0.423 8.546 1.00 43.31 H new ATOM 0 HB2 GLU A 12 9.130 -2.233 8.973 1.00 62.04 H new ATOM 0 HB3 GLU A 12 7.836 -3.415 8.973 1.00 62.04 H new ATOM 0 HG2 GLU A 12 8.617 -3.592 6.778 1.00 32.02 H new ATOM 0 HG3 GLU A 12 7.277 -2.481 6.576 1.00 32.02 H new ATOM 214 N ASN A 13 5.069 -2.569 9.535 1.00 32.52 N ATOM 215 CA ASN A 13 3.720 -3.156 9.321 1.00 2.12 C ATOM 216 C ASN A 13 2.650 -2.046 9.304 1.00 51.34 C ATOM 217 O ASN A 13 1.790 -2.012 8.419 1.00 14.02 O ATOM 218 CB ASN A 13 3.437 -4.184 10.455 1.00 34.22 C ATOM 219 CG ASN A 13 2.136 -4.970 10.300 1.00 70.10 C ATOM 220 OD1 ASN A 13 1.067 -4.527 10.718 1.00 0.22 O ATOM 221 ND2 ASN A 13 2.218 -6.158 9.721 1.00 72.23 N ATOM 0 H ASN A 13 5.481 -2.840 10.428 1.00 32.52 H new ATOM 0 HA ASN A 13 3.685 -3.664 8.357 1.00 2.12 H new ATOM 0 HB2 ASN A 13 4.267 -4.889 10.502 1.00 34.22 H new ATOM 0 HB3 ASN A 13 3.414 -3.655 11.408 1.00 34.22 H new ATOM 0 HD21 ASN A 13 1.381 -6.731 9.612 1.00 72.23 H new ATOM 0 HD22 ASN A 13 3.118 -6.500 9.384 1.00 72.23 H new ATOM 228 N GLU A 14 2.749 -1.143 10.301 1.00 12.12 N ATOM 229 CA GLU A 14 1.936 0.079 10.408 1.00 43.13 C ATOM 230 C GLU A 14 2.144 0.957 9.167 1.00 61.34 C ATOM 231 O GLU A 14 1.175 1.440 8.569 1.00 32.42 O ATOM 232 CB GLU A 14 2.295 0.849 11.727 1.00 22.23 C ATOM 233 CG GLU A 14 2.215 2.391 11.627 1.00 22.24 C ATOM 234 CD GLU A 14 2.296 3.105 12.983 1.00 14.42 C ATOM 235 OE1 GLU A 14 3.386 3.572 13.374 1.00 13.22 O ATOM 236 OE2 GLU A 14 1.265 3.176 13.690 1.00 43.41 O ATOM 0 H GLU A 14 3.412 -1.248 11.069 1.00 12.12 H new ATOM 0 HA GLU A 14 0.880 -0.189 10.455 1.00 43.13 H new ATOM 0 HB2 GLU A 14 1.623 0.516 12.518 1.00 22.23 H new ATOM 0 HB3 GLU A 14 3.305 0.571 12.028 1.00 22.23 H new ATOM 0 HG2 GLU A 14 3.025 2.747 10.991 1.00 22.24 H new ATOM 0 HG3 GLU A 14 1.281 2.666 11.137 1.00 22.24 H new ATOM 243 N LYS A 15 3.427 1.158 8.807 1.00 51.22 N ATOM 244 CA LYS A 15 3.810 1.944 7.635 1.00 62.22 C ATOM 245 C LYS A 15 3.200 1.349 6.353 1.00 13.31 C ATOM 246 O LYS A 15 2.732 2.088 5.500 1.00 13.03 O ATOM 247 CB LYS A 15 5.348 2.007 7.475 1.00 32.30 C ATOM 248 CG LYS A 15 5.831 2.973 6.349 1.00 55.23 C ATOM 249 CD LYS A 15 7.083 2.460 5.595 1.00 3.13 C ATOM 250 CE LYS A 15 6.786 1.219 4.725 1.00 12.34 C ATOM 251 NZ LYS A 15 8.022 0.682 4.092 1.00 73.42 N ATOM 0 H LYS A 15 4.220 0.778 9.324 1.00 51.22 H new ATOM 0 HA LYS A 15 3.427 2.953 7.789 1.00 62.22 H new ATOM 0 HB2 LYS A 15 5.789 2.320 8.422 1.00 32.30 H new ATOM 0 HB3 LYS A 15 5.722 1.005 7.265 1.00 32.30 H new ATOM 0 HG2 LYS A 15 5.021 3.121 5.635 1.00 55.23 H new ATOM 0 HG3 LYS A 15 6.052 3.947 6.786 1.00 55.23 H new ATOM 0 HD2 LYS A 15 7.474 3.257 4.963 1.00 3.13 H new ATOM 0 HD3 LYS A 15 7.862 2.215 6.317 1.00 3.13 H new ATOM 0 HE2 LYS A 15 6.326 0.445 5.340 1.00 12.34 H new ATOM 0 HE3 LYS A 15 6.065 1.481 3.951 1.00 12.34 H new ATOM 0 HZ1 LYS A 15 7.792 -0.180 3.557 1.00 73.42 H new ATOM 0 HZ2 LYS A 15 8.419 1.394 3.447 1.00 73.42 H new ATOM 0 HZ3 LYS A 15 8.720 0.456 4.829 1.00 73.42 H new ATOM 265 N LEU A 16 3.202 0.002 6.252 1.00 23.22 N ATOM 266 CA LEU A 16 2.699 -0.730 5.072 1.00 64.33 C ATOM 267 C LEU A 16 1.178 -0.594 4.954 1.00 42.52 C ATOM 268 O LEU A 16 0.630 -0.604 3.846 1.00 61.53 O ATOM 269 CB LEU A 16 3.126 -2.219 5.102 1.00 43.11 C ATOM 270 CG LEU A 16 4.645 -2.498 4.886 1.00 62.33 C ATOM 271 CD1 LEU A 16 4.976 -3.988 5.062 1.00 13.41 C ATOM 272 CD2 LEU A 16 5.127 -1.978 3.521 1.00 2.11 C ATOM 0 H LEU A 16 3.554 -0.609 6.989 1.00 23.22 H new ATOM 0 HA LEU A 16 3.149 -0.280 4.187 1.00 64.33 H new ATOM 0 HB2 LEU A 16 2.832 -2.642 6.063 1.00 43.11 H new ATOM 0 HB3 LEU A 16 2.566 -2.753 4.334 1.00 43.11 H new ATOM 0 HG LEU A 16 5.186 -1.948 5.656 1.00 62.33 H new ATOM 0 HD11 LEU A 16 6.043 -4.145 4.904 1.00 13.41 H new ATOM 0 HD12 LEU A 16 4.708 -4.304 6.070 1.00 13.41 H new ATOM 0 HD13 LEU A 16 4.412 -4.574 4.337 1.00 13.41 H new ATOM 0 HD21 LEU A 16 6.190 -2.190 3.406 1.00 2.11 H new ATOM 0 HD22 LEU A 16 4.570 -2.473 2.726 1.00 2.11 H new ATOM 0 HD23 LEU A 16 4.963 -0.902 3.463 1.00 2.11 H new ATOM 284 N LYS A 17 0.512 -0.451 6.110 1.00 74.40 N ATOM 285 CA LYS A 17 -0.922 -0.183 6.180 1.00 3.42 C ATOM 286 C LYS A 17 -1.208 1.274 5.742 1.00 62.35 C ATOM 287 O LYS A 17 -2.240 1.561 5.123 1.00 2.11 O ATOM 288 CB LYS A 17 -1.427 -0.512 7.615 1.00 3.43 C ATOM 289 CG LYS A 17 -2.955 -0.338 7.886 1.00 70.02 C ATOM 290 CD LYS A 17 -3.375 1.105 8.279 1.00 74.54 C ATOM 291 CE LYS A 17 -2.535 1.669 9.440 1.00 12.42 C ATOM 292 NZ LYS A 17 -3.048 2.983 9.908 1.00 23.11 N ATOM 0 H LYS A 17 0.960 -0.519 7.024 1.00 74.40 H new ATOM 0 HA LYS A 17 -1.474 -0.821 5.490 1.00 3.42 H new ATOM 0 HB2 LYS A 17 -1.158 -1.544 7.840 1.00 3.43 H new ATOM 0 HB3 LYS A 17 -0.884 0.120 8.318 1.00 3.43 H new ATOM 0 HG2 LYS A 17 -3.506 -0.634 6.993 1.00 70.02 H new ATOM 0 HG3 LYS A 17 -3.250 -1.020 8.684 1.00 70.02 H new ATOM 0 HD2 LYS A 17 -3.275 1.758 7.412 1.00 74.54 H new ATOM 0 HD3 LYS A 17 -4.428 1.109 8.561 1.00 74.54 H new ATOM 0 HE2 LYS A 17 -2.540 0.961 10.269 1.00 12.42 H new ATOM 0 HE3 LYS A 17 -1.499 1.777 9.119 1.00 12.42 H new ATOM 0 HZ1 LYS A 17 -2.456 3.329 10.690 1.00 23.11 H new ATOM 0 HZ2 LYS A 17 -3.020 3.666 9.124 1.00 23.11 H new ATOM 0 HZ3 LYS A 17 -4.028 2.875 10.238 1.00 23.11 H new ATOM 306 N ALA A 18 -0.258 2.180 6.044 1.00 73.40 N ATOM 307 CA ALA A 18 -0.371 3.607 5.692 1.00 75.54 C ATOM 308 C ALA A 18 -0.271 3.791 4.172 1.00 41.11 C ATOM 309 O ALA A 18 -1.198 4.274 3.540 1.00 13.05 O ATOM 310 CB ALA A 18 0.711 4.422 6.419 1.00 63.35 C ATOM 0 H ALA A 18 0.604 1.944 6.536 1.00 73.40 H new ATOM 0 HA ALA A 18 -1.346 3.974 6.014 1.00 75.54 H new ATOM 0 HB1 ALA A 18 0.616 5.474 6.150 1.00 63.35 H new ATOM 0 HB2 ALA A 18 0.588 4.310 7.496 1.00 63.35 H new ATOM 0 HB3 ALA A 18 1.697 4.060 6.127 1.00 63.35 H new ATOM 316 N GLN A 19 0.853 3.343 3.604 1.00 31.21 N ATOM 317 CA GLN A 19 1.155 3.486 2.173 1.00 40.34 C ATOM 318 C GLN A 19 0.183 2.695 1.280 1.00 12.24 C ATOM 319 O GLN A 19 -0.019 3.075 0.120 1.00 43.31 O ATOM 320 CB GLN A 19 2.620 3.070 1.918 1.00 71.31 C ATOM 321 CG GLN A 19 3.013 1.688 2.501 1.00 2.15 C ATOM 322 CD GLN A 19 3.134 0.548 1.500 1.00 11.53 C ATOM 323 OE1 GLN A 19 4.189 0.344 0.898 1.00 74.22 O ATOM 324 NE2 GLN A 19 2.082 -0.245 1.373 1.00 34.13 N ATOM 0 H GLN A 19 1.587 2.866 4.128 1.00 31.21 H new ATOM 0 HA GLN A 19 1.022 4.533 1.901 1.00 40.34 H new ATOM 0 HB2 GLN A 19 2.798 3.059 0.843 1.00 71.31 H new ATOM 0 HB3 GLN A 19 3.278 3.828 2.343 1.00 71.31 H new ATOM 0 HG2 GLN A 19 3.967 1.793 3.018 1.00 2.15 H new ATOM 0 HG3 GLN A 19 2.273 1.409 3.251 1.00 2.15 H new ATOM 0 HE21 GLN A 19 1.226 -0.043 1.889 1.00 34.13 H new ATOM 0 HE22 GLN A 19 2.128 -1.059 0.760 1.00 34.13 H new ATOM 333 N LEU A 20 -0.392 1.577 1.797 1.00 63.05 N ATOM 334 CA LEU A 20 -1.462 0.873 1.068 1.00 72.22 C ATOM 335 C LEU A 20 -2.706 1.759 1.012 1.00 32.54 C ATOM 336 O LEU A 20 -3.309 1.876 -0.034 1.00 54.10 O ATOM 337 CB LEU A 20 -1.788 -0.555 1.642 1.00 30.31 C ATOM 338 CG LEU A 20 -2.795 -0.743 2.856 1.00 43.34 C ATOM 339 CD1 LEU A 20 -4.288 -0.688 2.443 1.00 70.22 C ATOM 340 CD2 LEU A 20 -2.528 -2.067 3.595 1.00 72.24 C ATOM 0 H LEU A 20 -0.136 1.159 2.692 1.00 63.05 H new ATOM 0 HA LEU A 20 -1.099 0.689 0.057 1.00 72.22 H new ATOM 0 HB2 LEU A 20 -2.173 -1.151 0.814 1.00 30.31 H new ATOM 0 HB3 LEU A 20 -0.840 -1.001 1.943 1.00 30.31 H new ATOM 0 HG LEU A 20 -2.608 0.104 3.516 1.00 43.34 H new ATOM 0 HD11 LEU A 20 -4.915 -0.824 3.324 1.00 70.22 H new ATOM 0 HD12 LEU A 20 -4.505 0.279 1.990 1.00 70.22 H new ATOM 0 HD13 LEU A 20 -4.496 -1.481 1.724 1.00 70.22 H new ATOM 0 HD21 LEU A 20 -3.231 -2.171 4.421 1.00 72.24 H new ATOM 0 HD22 LEU A 20 -2.654 -2.901 2.905 1.00 72.24 H new ATOM 0 HD23 LEU A 20 -1.509 -2.068 3.983 1.00 72.24 H new ATOM 352 N HIS A 21 -3.060 2.390 2.157 1.00 11.03 N ATOM 353 CA HIS A 21 -4.240 3.282 2.278 1.00 1.44 C ATOM 354 C HIS A 21 -4.171 4.413 1.227 1.00 53.15 C ATOM 355 O HIS A 21 -5.193 4.787 0.639 1.00 24.15 O ATOM 356 CB HIS A 21 -4.313 3.813 3.737 1.00 1.50 C ATOM 357 CG HIS A 21 -5.417 4.789 4.044 1.00 22.34 C ATOM 358 ND1 HIS A 21 -6.745 4.433 4.151 1.00 4.45 N ATOM 359 CD2 HIS A 21 -5.375 6.112 4.333 1.00 20.35 C ATOM 360 CE1 HIS A 21 -7.457 5.480 4.499 1.00 10.54 C ATOM 361 NE2 HIS A 21 -6.646 6.510 4.608 1.00 63.12 N ATOM 0 H HIS A 21 -2.534 2.295 3.026 1.00 11.03 H new ATOM 0 HA HIS A 21 -5.160 2.734 2.073 1.00 1.44 H new ATOM 0 HB2 HIS A 21 -4.418 2.959 4.406 1.00 1.50 H new ATOM 0 HB3 HIS A 21 -3.362 4.289 3.974 1.00 1.50 H new ATOM 0 HD2 HIS A 21 -4.494 6.736 4.343 1.00 20.35 H new ATOM 0 HE1 HIS A 21 -8.524 5.493 4.667 1.00 10.54 H new ATOM 0 HE2 HIS A 21 -6.926 7.458 4.859 1.00 63.12 H new ATOM 370 N ASP A 22 -2.935 4.890 0.969 1.00 11.52 N ATOM 371 CA ASP A 22 -2.630 5.830 -0.125 1.00 3.23 C ATOM 372 C ASP A 22 -2.900 5.193 -1.501 1.00 2.03 C ATOM 373 O ASP A 22 -3.692 5.714 -2.283 1.00 52.24 O ATOM 374 CB ASP A 22 -1.156 6.301 -0.052 1.00 11.34 C ATOM 375 CG ASP A 22 -0.879 7.222 1.143 1.00 50.05 C ATOM 376 OD1 ASP A 22 -0.568 6.719 2.241 1.00 23.24 O ATOM 377 OD2 ASP A 22 -0.986 8.461 0.988 1.00 20.44 O ATOM 0 H ASP A 22 -2.116 4.630 1.519 1.00 11.52 H new ATOM 0 HA ASP A 22 -3.287 6.692 -0.005 1.00 3.23 H new ATOM 0 HB2 ASP A 22 -0.505 5.429 0.010 1.00 11.34 H new ATOM 0 HB3 ASP A 22 -0.902 6.824 -0.974 1.00 11.34 H new ATOM 382 N THR A 23 -2.257 4.041 -1.777 1.00 70.42 N ATOM 383 CA THR A 23 -2.322 3.399 -3.110 1.00 23.31 C ATOM 384 C THR A 23 -3.741 2.862 -3.424 1.00 3.14 C ATOM 385 O THR A 23 -4.119 2.755 -4.587 1.00 50.41 O ATOM 386 CB THR A 23 -1.258 2.257 -3.250 1.00 51.11 C ATOM 387 OG1 THR A 23 -0.013 2.724 -2.730 1.00 34.40 O ATOM 388 CG2 THR A 23 -1.043 1.827 -4.721 1.00 31.03 C ATOM 0 H THR A 23 -1.688 3.535 -1.098 1.00 70.42 H new ATOM 0 HA THR A 23 -2.090 4.172 -3.842 1.00 23.31 H new ATOM 0 HB THR A 23 -1.627 1.393 -2.698 1.00 51.11 H new ATOM 0 HG1 THR A 23 -0.045 2.718 -1.751 1.00 34.40 H new ATOM 0 HG21 THR A 23 -0.297 1.034 -4.763 1.00 31.03 H new ATOM 0 HG22 THR A 23 -1.983 1.463 -5.135 1.00 31.03 H new ATOM 0 HG23 THR A 23 -0.697 2.681 -5.303 1.00 31.03 H new ATOM 396 N ASN A 24 -4.523 2.572 -2.367 1.00 44.52 N ATOM 397 CA ASN A 24 -5.886 2.019 -2.480 1.00 64.23 C ATOM 398 C ASN A 24 -6.887 3.134 -2.797 1.00 62.33 C ATOM 399 O ASN A 24 -7.792 2.937 -3.626 1.00 73.12 O ATOM 400 CB ASN A 24 -6.315 1.253 -1.184 1.00 64.41 C ATOM 401 CG ASN A 24 -5.671 -0.138 -1.017 1.00 24.02 C ATOM 402 OD1 ASN A 24 -4.385 -0.278 -1.307 1.00 2.53 O flip ATOM 403 ND2 ASN A 24 -6.330 -1.085 -0.587 1.00 23.21 N flip ATOM 0 H ASN A 24 -4.224 2.716 -1.403 1.00 44.52 H new ATOM 0 HA ASN A 24 -5.882 1.299 -3.298 1.00 64.23 H new ATOM 0 HB2 ASN A 24 -6.061 1.863 -0.317 1.00 64.41 H new ATOM 0 HB3 ASN A 24 -7.399 1.139 -1.187 1.00 64.41 H new ATOM 0 HD21 ASN A 24 -7.319 -0.961 -0.369 1.00 23.21 H new ATOM 0 HD22 ASN A 24 -5.887 -1.994 -0.449 1.00 23.21 H new ATOM 410 N MET A 25 -6.732 4.308 -2.137 1.00 2.34 N ATOM 411 CA MET A 25 -7.618 5.457 -2.392 1.00 44.24 C ATOM 412 C MET A 25 -7.401 5.987 -3.821 1.00 45.32 C ATOM 413 O MET A 25 -8.375 6.167 -4.552 1.00 74.50 O ATOM 414 CB MET A 25 -7.455 6.597 -1.344 1.00 12.15 C ATOM 415 CG MET A 25 -6.103 7.330 -1.332 1.00 51.24 C ATOM 416 SD MET A 25 -6.056 8.776 -0.245 1.00 43.32 S ATOM 417 CE MET A 25 -6.131 8.026 1.379 1.00 21.12 C ATOM 0 H MET A 25 -6.011 4.478 -1.435 1.00 2.34 H new ATOM 0 HA MET A 25 -8.643 5.098 -2.293 1.00 44.24 H new ATOM 0 HB2 MET A 25 -8.241 7.333 -1.516 1.00 12.15 H new ATOM 0 HB3 MET A 25 -7.624 6.176 -0.353 1.00 12.15 H new ATOM 0 HG2 MET A 25 -5.326 6.631 -1.023 1.00 51.24 H new ATOM 0 HG3 MET A 25 -5.863 7.644 -2.348 1.00 51.24 H new ATOM 0 HE1 MET A 25 -6.056 8.801 2.142 1.00 21.12 H new ATOM 0 HE2 MET A 25 -7.077 7.496 1.492 1.00 21.12 H new ATOM 0 HE3 MET A 25 -5.306 7.323 1.494 1.00 21.12 H new ATOM 427 N GLU A 26 -6.120 6.149 -4.232 1.00 3.23 N ATOM 428 CA GLU A 26 -5.768 6.699 -5.553 1.00 13.43 C ATOM 429 C GLU A 26 -6.086 5.687 -6.659 1.00 42.12 C ATOM 430 O GLU A 26 -6.307 6.083 -7.782 1.00 34.34 O ATOM 431 CB GLU A 26 -4.278 7.133 -5.611 1.00 44.25 C ATOM 432 CG GLU A 26 -3.262 5.980 -5.522 1.00 11.31 C ATOM 433 CD GLU A 26 -1.803 6.444 -5.354 1.00 62.12 C ATOM 434 OE1 GLU A 26 -1.146 6.778 -6.357 1.00 50.35 O ATOM 435 OE2 GLU A 26 -1.301 6.467 -4.205 1.00 72.54 O ATOM 0 H GLU A 26 -5.312 5.903 -3.659 1.00 3.23 H new ATOM 0 HA GLU A 26 -6.374 7.590 -5.715 1.00 13.43 H new ATOM 0 HB2 GLU A 26 -4.109 7.676 -6.541 1.00 44.25 H new ATOM 0 HB3 GLU A 26 -4.086 7.830 -4.796 1.00 44.25 H new ATOM 0 HG2 GLU A 26 -3.528 5.339 -4.682 1.00 11.31 H new ATOM 0 HG3 GLU A 26 -3.338 5.372 -6.423 1.00 11.31 H new ATOM 442 N LEU A 27 -6.099 4.379 -6.324 1.00 51.52 N ATOM 443 CA LEU A 27 -6.572 3.322 -7.234 1.00 61.25 C ATOM 444 C LEU A 27 -8.048 3.575 -7.587 1.00 54.44 C ATOM 445 O LEU A 27 -8.412 3.596 -8.765 1.00 31.53 O ATOM 446 CB LEU A 27 -6.359 1.934 -6.555 1.00 60.00 C ATOM 447 CG LEU A 27 -6.630 0.625 -7.388 1.00 64.42 C ATOM 448 CD1 LEU A 27 -5.955 -0.582 -6.716 1.00 43.24 C ATOM 449 CD2 LEU A 27 -8.136 0.321 -7.588 1.00 34.35 C ATOM 0 H LEU A 27 -5.783 4.031 -5.419 1.00 51.52 H new ATOM 0 HA LEU A 27 -6.005 3.331 -8.165 1.00 61.25 H new ATOM 0 HB2 LEU A 27 -5.327 1.894 -6.206 1.00 60.00 H new ATOM 0 HB3 LEU A 27 -6.996 1.899 -5.671 1.00 60.00 H new ATOM 0 HG LEU A 27 -6.204 0.802 -8.376 1.00 64.42 H new ATOM 0 HD11 LEU A 27 -6.150 -1.480 -7.302 1.00 43.24 H new ATOM 0 HD12 LEU A 27 -4.880 -0.412 -6.659 1.00 43.24 H new ATOM 0 HD13 LEU A 27 -6.356 -0.710 -5.711 1.00 43.24 H new ATOM 0 HD21 LEU A 27 -8.248 -0.594 -8.170 1.00 34.35 H new ATOM 0 HD22 LEU A 27 -8.614 0.194 -6.617 1.00 34.35 H new ATOM 0 HD23 LEU A 27 -8.607 1.149 -8.119 1.00 34.35 H new ATOM 461 N THR A 28 -8.874 3.772 -6.538 1.00 0.01 N ATOM 462 CA THR A 28 -10.326 3.964 -6.674 1.00 13.43 C ATOM 463 C THR A 28 -10.645 5.262 -7.446 1.00 12.32 C ATOM 464 O THR A 28 -11.516 5.269 -8.332 1.00 72.33 O ATOM 465 CB THR A 28 -10.999 4.011 -5.267 1.00 73.22 C ATOM 466 OG1 THR A 28 -10.596 2.867 -4.489 1.00 44.13 O ATOM 467 CG2 THR A 28 -12.528 4.050 -5.352 1.00 50.22 C ATOM 0 H THR A 28 -8.548 3.802 -5.572 1.00 0.01 H new ATOM 0 HA THR A 28 -10.724 3.120 -7.237 1.00 13.43 H new ATOM 0 HB THR A 28 -10.668 4.931 -4.786 1.00 73.22 H new ATOM 0 HG1 THR A 28 -9.683 3.001 -4.158 1.00 44.13 H new ATOM 0 HG21 THR A 28 -12.948 4.082 -4.347 1.00 50.22 H new ATOM 0 HG22 THR A 28 -12.839 4.937 -5.903 1.00 50.22 H new ATOM 0 HG23 THR A 28 -12.887 3.159 -5.867 1.00 50.22 H new ATOM 475 N ASP A 29 -9.913 6.346 -7.094 1.00 60.00 N ATOM 476 CA ASP A 29 -10.021 7.650 -7.771 1.00 44.31 C ATOM 477 C ASP A 29 -9.676 7.499 -9.255 1.00 51.42 C ATOM 478 O ASP A 29 -10.530 7.779 -10.099 1.00 42.31 O ATOM 479 CB ASP A 29 -9.116 8.729 -7.097 1.00 32.04 C ATOM 480 CG ASP A 29 -9.703 9.258 -5.774 1.00 64.13 C ATOM 481 OD1 ASP A 29 -9.235 8.866 -4.681 1.00 70.41 O ATOM 482 OD2 ASP A 29 -10.665 10.055 -5.824 1.00 21.12 O ATOM 0 H ASP A 29 -9.234 6.336 -6.333 1.00 60.00 H new ATOM 0 HA ASP A 29 -11.051 7.993 -7.679 1.00 44.31 H new ATOM 0 HB2 ASP A 29 -8.131 8.303 -6.908 1.00 32.04 H new ATOM 0 HB3 ASP A 29 -8.977 9.562 -7.786 1.00 32.04 H new ATOM 487 N LEU A 30 -8.445 6.984 -9.531 1.00 61.35 N ATOM 488 CA LEU A 30 -7.915 6.736 -10.895 1.00 63.11 C ATOM 489 C LEU A 30 -8.918 5.981 -11.764 1.00 22.33 C ATOM 490 O LEU A 30 -9.171 6.396 -12.870 1.00 21.41 O ATOM 491 CB LEU A 30 -6.544 5.959 -10.846 1.00 50.34 C ATOM 492 CG LEU A 30 -5.253 6.805 -11.098 1.00 11.35 C ATOM 493 CD1 LEU A 30 -5.213 7.333 -12.558 1.00 64.01 C ATOM 494 CD2 LEU A 30 -5.124 7.959 -10.064 1.00 11.24 C ATOM 0 H LEU A 30 -7.785 6.727 -8.797 1.00 61.35 H new ATOM 0 HA LEU A 30 -7.743 7.712 -11.348 1.00 63.11 H new ATOM 0 HB2 LEU A 30 -6.456 5.484 -9.869 1.00 50.34 H new ATOM 0 HB3 LEU A 30 -6.578 5.160 -11.586 1.00 50.34 H new ATOM 0 HG LEU A 30 -4.390 6.153 -10.961 1.00 11.35 H new ATOM 0 HD11 LEU A 30 -4.306 7.918 -12.709 1.00 64.01 H new ATOM 0 HD12 LEU A 30 -5.220 6.491 -13.250 1.00 64.01 H new ATOM 0 HD13 LEU A 30 -6.085 7.961 -12.742 1.00 64.01 H new ATOM 0 HD21 LEU A 30 -4.217 8.529 -10.266 1.00 11.24 H new ATOM 0 HD22 LEU A 30 -5.990 8.616 -10.142 1.00 11.24 H new ATOM 0 HD23 LEU A 30 -5.075 7.542 -9.058 1.00 11.24 H new ATOM 506 N LYS A 31 -9.491 4.902 -11.206 1.00 72.22 N ATOM 507 CA LYS A 31 -10.474 4.021 -11.876 1.00 24.21 C ATOM 508 C LYS A 31 -11.720 4.830 -12.315 1.00 12.00 C ATOM 509 O LYS A 31 -12.143 4.757 -13.488 1.00 31.30 O ATOM 510 CB LYS A 31 -10.794 2.819 -10.890 1.00 44.14 C ATOM 511 CG LYS A 31 -12.272 2.408 -10.687 1.00 21.10 C ATOM 512 CD LYS A 31 -12.889 1.629 -11.872 1.00 62.30 C ATOM 513 CE LYS A 31 -14.332 1.194 -11.569 1.00 20.15 C ATOM 514 NZ LYS A 31 -14.957 0.481 -12.710 1.00 41.51 N ATOM 0 H LYS A 31 -9.281 4.607 -10.252 1.00 72.22 H new ATOM 0 HA LYS A 31 -10.075 3.601 -12.799 1.00 24.21 H new ATOM 0 HB2 LYS A 31 -10.252 1.943 -11.247 1.00 44.14 H new ATOM 0 HB3 LYS A 31 -10.383 3.072 -9.913 1.00 44.14 H new ATOM 0 HG2 LYS A 31 -12.346 1.796 -9.788 1.00 21.10 H new ATOM 0 HG3 LYS A 31 -12.865 3.306 -10.511 1.00 21.10 H new ATOM 0 HD2 LYS A 31 -12.876 2.253 -12.766 1.00 62.30 H new ATOM 0 HD3 LYS A 31 -12.281 0.751 -12.088 1.00 62.30 H new ATOM 0 HE2 LYS A 31 -14.337 0.547 -10.692 1.00 20.15 H new ATOM 0 HE3 LYS A 31 -14.929 2.072 -11.321 1.00 20.15 H new ATOM 0 HZ1 LYS A 31 -15.928 0.208 -12.459 1.00 41.51 H new ATOM 0 HZ2 LYS A 31 -14.977 1.106 -13.541 1.00 41.51 H new ATOM 0 HZ3 LYS A 31 -14.404 -0.371 -12.932 1.00 41.51 H new ATOM 528 N LEU A 32 -12.227 5.652 -11.378 1.00 1.52 N ATOM 529 CA LEU A 32 -13.485 6.400 -11.544 1.00 22.33 C ATOM 530 C LEU A 32 -13.347 7.414 -12.687 1.00 73.44 C ATOM 531 O LEU A 32 -14.023 7.302 -13.714 1.00 41.02 O ATOM 532 CB LEU A 32 -13.833 7.114 -10.205 1.00 54.12 C ATOM 533 CG LEU A 32 -15.181 7.900 -10.160 1.00 44.13 C ATOM 534 CD1 LEU A 32 -16.383 6.965 -10.374 1.00 52.44 C ATOM 535 CD2 LEU A 32 -15.315 8.694 -8.840 1.00 35.21 C ATOM 0 H LEU A 32 -11.772 5.816 -10.480 1.00 1.52 H new ATOM 0 HA LEU A 32 -14.293 5.714 -11.799 1.00 22.33 H new ATOM 0 HB2 LEU A 32 -13.850 6.364 -9.414 1.00 54.12 H new ATOM 0 HB3 LEU A 32 -13.026 7.808 -9.970 1.00 54.12 H new ATOM 0 HG LEU A 32 -15.175 8.616 -10.981 1.00 44.13 H new ATOM 0 HD11 LEU A 32 -17.306 7.544 -10.337 1.00 52.44 H new ATOM 0 HD12 LEU A 32 -16.298 6.480 -11.346 1.00 52.44 H new ATOM 0 HD13 LEU A 32 -16.398 6.207 -9.591 1.00 52.44 H new ATOM 0 HD21 LEU A 32 -16.263 9.233 -8.834 1.00 35.21 H new ATOM 0 HD22 LEU A 32 -15.284 8.005 -7.996 1.00 35.21 H new ATOM 0 HD23 LEU A 32 -14.493 9.405 -8.758 1.00 35.21 H new ATOM 547 N GLN A 33 -12.411 8.362 -12.503 1.00 44.34 N ATOM 548 CA GLN A 33 -12.108 9.413 -13.483 1.00 10.12 C ATOM 549 C GLN A 33 -11.688 8.808 -14.841 1.00 73.44 C ATOM 550 O GLN A 33 -12.088 9.324 -15.903 1.00 44.20 O ATOM 551 CB GLN A 33 -10.997 10.372 -12.935 1.00 0.00 C ATOM 552 CG GLN A 33 -9.780 9.662 -12.309 1.00 75.53 C ATOM 553 CD GLN A 33 -8.445 10.357 -12.511 1.00 21.45 C ATOM 554 OE1 GLN A 33 -8.033 11.211 -11.716 1.00 71.04 O ATOM 555 NE2 GLN A 33 -7.740 9.957 -13.555 1.00 65.35 N ATOM 0 H GLN A 33 -11.839 8.418 -11.660 1.00 44.34 H new ATOM 0 HA GLN A 33 -13.016 9.993 -13.645 1.00 10.12 H new ATOM 0 HB2 GLN A 33 -10.650 11.006 -13.751 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.441 11.029 -12.187 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.955 9.553 -11.239 1.00 75.53 H new ATOM 0 HG3 GLN A 33 -9.714 8.657 -12.725 1.00 75.53 H new ATOM 0 HE21 GLN A 33 -8.118 9.250 -14.185 1.00 65.35 H new ATOM 0 HE22 GLN A 33 -6.818 10.355 -13.730 1.00 65.35 H new ATOM 564 N LEU A 34 -10.895 7.709 -14.787 1.00 62.25 N ATOM 565 CA LEU A 34 -10.371 7.013 -15.981 1.00 54.12 C ATOM 566 C LEU A 34 -11.462 6.798 -17.009 1.00 61.41 C ATOM 567 O LEU A 34 -11.386 7.396 -18.101 1.00 64.34 O ATOM 568 CB LEU A 34 -9.742 5.643 -15.611 1.00 63.01 C ATOM 569 CG LEU A 34 -9.390 4.687 -16.789 1.00 42.42 C ATOM 570 CD1 LEU A 34 -8.424 5.345 -17.773 1.00 15.43 C ATOM 571 CD2 LEU A 34 -8.833 3.360 -16.264 1.00 32.32 C ATOM 0 H LEU A 34 -10.602 7.282 -13.909 1.00 62.25 H new ATOM 0 HA LEU A 34 -9.597 7.653 -16.405 1.00 54.12 H new ATOM 0 HB2 LEU A 34 -8.831 5.831 -15.043 1.00 63.01 H new ATOM 0 HB3 LEU A 34 -10.431 5.122 -14.946 1.00 63.01 H new ATOM 0 HG LEU A 34 -10.310 4.474 -17.333 1.00 42.42 H new ATOM 0 HD11 LEU A 34 -8.200 4.650 -18.582 1.00 15.43 H new ATOM 0 HD12 LEU A 34 -8.880 6.246 -18.184 1.00 15.43 H new ATOM 0 HD13 LEU A 34 -7.502 5.609 -17.256 1.00 15.43 H new ATOM 0 HD21 LEU A 34 -8.594 2.708 -17.104 1.00 32.32 H new ATOM 0 HD22 LEU A 34 -7.930 3.549 -15.683 1.00 32.32 H new ATOM 0 HD23 LEU A 34 -9.578 2.878 -15.631 1.00 32.32 H new ATOM 774 N PHE B 102 8.559 -15.798 22.056 1.00 42.33 N ATOM 775 CA PHE B 102 8.460 -14.646 21.150 1.00 41.53 C ATOM 776 C PHE B 102 8.782 -14.985 19.677 1.00 74.21 C ATOM 777 O PHE B 102 8.677 -14.110 18.796 1.00 5.23 O ATOM 778 CB PHE B 102 9.400 -13.551 21.670 1.00 41.40 C ATOM 779 CG PHE B 102 9.066 -13.037 23.082 1.00 51.23 C ATOM 780 CD1 PHE B 102 8.071 -12.083 23.275 1.00 63.33 C ATOM 781 CD2 PHE B 102 9.771 -13.481 24.204 1.00 63.13 C ATOM 782 CE1 PHE B 102 7.785 -11.596 24.533 1.00 64.20 C ATOM 783 CE2 PHE B 102 9.484 -12.996 25.464 1.00 60.54 C ATOM 784 CZ PHE B 102 8.491 -12.052 25.627 1.00 60.53 C ATOM 0 HA PHE B 102 7.424 -14.308 21.147 1.00 41.53 H new ATOM 0 HB2 PHE B 102 10.420 -13.936 21.669 1.00 41.40 H new ATOM 0 HB3 PHE B 102 9.376 -12.710 20.977 1.00 41.40 H new ATOM 0 HD1 PHE B 102 7.514 -11.718 22.425 1.00 63.33 H new ATOM 0 HD2 PHE B 102 10.553 -14.216 24.083 1.00 63.13 H new ATOM 0 HE1 PHE B 102 7.008 -10.857 24.662 1.00 64.20 H new ATOM 0 HE2 PHE B 102 10.036 -13.355 26.320 1.00 60.54 H new ATOM 0 HZ PHE B 102 8.266 -11.670 26.612 1.00 60.53 H new ATOM 794 N LYS B 103 9.157 -16.255 19.410 1.00 14.23 N ATOM 795 CA LYS B 103 9.364 -16.736 18.034 1.00 52.42 C ATOM 796 C LYS B 103 8.069 -16.558 17.226 1.00 75.10 C ATOM 797 O LYS B 103 8.107 -16.180 16.049 1.00 64.12 O ATOM 798 CB LYS B 103 9.864 -18.215 17.981 1.00 62.14 C ATOM 799 CG LYS B 103 8.803 -19.328 18.226 1.00 44.42 C ATOM 800 CD LYS B 103 8.292 -19.433 19.693 1.00 0.40 C ATOM 801 CE LYS B 103 9.200 -20.265 20.623 1.00 72.33 C ATOM 802 NZ LYS B 103 10.538 -19.656 20.849 1.00 55.45 N ATOM 0 H LYS B 103 9.321 -16.960 20.129 1.00 14.23 H new ATOM 0 HA LYS B 103 10.155 -16.134 17.587 1.00 52.42 H new ATOM 0 HB2 LYS B 103 10.315 -18.386 17.003 1.00 62.14 H new ATOM 0 HB3 LYS B 103 10.655 -18.332 18.721 1.00 62.14 H new ATOM 0 HG2 LYS B 103 7.950 -19.148 17.571 1.00 44.42 H new ATOM 0 HG3 LYS B 103 9.230 -20.288 17.936 1.00 44.42 H new ATOM 0 HD2 LYS B 103 8.194 -18.428 20.104 1.00 0.40 H new ATOM 0 HD3 LYS B 103 7.295 -19.874 19.688 1.00 0.40 H new ATOM 0 HE2 LYS B 103 8.702 -20.394 21.584 1.00 72.33 H new ATOM 0 HE3 LYS B 103 9.330 -21.259 20.196 1.00 72.33 H new ATOM 0 HZ1 LYS B 103 10.908 -19.964 21.771 1.00 55.45 H new ATOM 0 HZ2 LYS B 103 11.189 -19.958 20.096 1.00 55.45 H new ATOM 0 HZ3 LYS B 103 10.454 -18.619 20.839 1.00 55.45 H new ATOM 816 N LYS B 104 6.912 -16.775 17.909 1.00 51.32 N ATOM 817 CA LYS B 104 5.601 -16.607 17.295 1.00 43.34 C ATOM 818 C LYS B 104 5.346 -15.142 16.922 1.00 30.00 C ATOM 819 O LYS B 104 4.764 -14.901 15.880 1.00 54.15 O ATOM 820 CB LYS B 104 4.453 -17.136 18.196 1.00 62.32 C ATOM 821 CG LYS B 104 4.271 -16.415 19.577 1.00 0.43 C ATOM 822 CD LYS B 104 2.836 -15.866 19.821 1.00 62.20 C ATOM 823 CE LYS B 104 2.529 -14.603 18.999 1.00 25.34 C ATOM 824 NZ LYS B 104 1.150 -14.100 19.230 1.00 11.12 N ATOM 0 H LYS B 104 6.880 -17.067 18.886 1.00 51.32 H new ATOM 0 HA LYS B 104 5.609 -17.207 16.385 1.00 43.34 H new ATOM 0 HB2 LYS B 104 3.518 -17.057 17.642 1.00 62.32 H new ATOM 0 HB3 LYS B 104 4.624 -18.196 18.382 1.00 62.32 H new ATOM 0 HG2 LYS B 104 4.522 -17.113 20.375 1.00 0.43 H new ATOM 0 HG3 LYS B 104 4.980 -15.590 19.640 1.00 0.43 H new ATOM 0 HD2 LYS B 104 2.110 -16.640 19.573 1.00 62.20 H new ATOM 0 HD3 LYS B 104 2.714 -15.642 20.881 1.00 62.20 H new ATOM 0 HE2 LYS B 104 3.245 -13.823 19.255 1.00 25.34 H new ATOM 0 HE3 LYS B 104 2.661 -14.821 17.939 1.00 25.34 H new ATOM 0 HZ1 LYS B 104 0.990 -13.248 18.655 1.00 11.12 H new ATOM 0 HZ2 LYS B 104 0.463 -14.833 18.961 1.00 11.12 H new ATOM 0 HZ3 LYS B 104 1.030 -13.866 20.236 1.00 11.12 H new ATOM 838 N LEU B 105 5.803 -14.158 17.771 1.00 73.13 N ATOM 839 CA LEU B 105 5.552 -12.717 17.503 1.00 71.33 C ATOM 840 C LEU B 105 6.194 -12.351 16.170 1.00 13.54 C ATOM 841 O LEU B 105 5.575 -11.675 15.340 1.00 73.34 O ATOM 842 CB LEU B 105 6.022 -11.757 18.685 1.00 72.23 C ATOM 843 CG LEU B 105 7.510 -11.165 18.715 1.00 13.34 C ATOM 844 CD1 LEU B 105 7.775 -10.065 17.662 1.00 71.35 C ATOM 845 CD2 LEU B 105 7.857 -10.603 20.103 1.00 25.31 C ATOM 0 H LEU B 105 6.333 -14.342 18.623 1.00 73.13 H new ATOM 0 HA LEU B 105 4.474 -12.563 17.445 1.00 71.33 H new ATOM 0 HB2 LEU B 105 5.339 -10.908 18.700 1.00 72.23 H new ATOM 0 HB3 LEU B 105 5.874 -12.301 19.618 1.00 72.23 H new ATOM 0 HG LEU B 105 8.148 -12.014 18.471 1.00 13.34 H new ATOM 0 HD11 LEU B 105 8.805 -9.718 17.749 1.00 71.35 H new ATOM 0 HD12 LEU B 105 7.612 -10.470 16.663 1.00 71.35 H new ATOM 0 HD13 LEU B 105 7.095 -9.230 17.830 1.00 71.35 H new ATOM 0 HD21 LEU B 105 8.873 -10.208 20.092 1.00 25.31 H new ATOM 0 HD22 LEU B 105 7.160 -9.804 20.357 1.00 25.31 H new ATOM 0 HD23 LEU B 105 7.784 -11.397 20.846 1.00 25.31 H new ATOM 857 N TYR B 106 7.453 -12.839 15.980 1.00 5.14 N ATOM 858 CA TYR B 106 8.221 -12.602 14.754 1.00 22.54 C ATOM 859 C TYR B 106 7.435 -13.125 13.543 1.00 22.10 C ATOM 860 O TYR B 106 7.241 -12.402 12.580 1.00 32.43 O ATOM 861 CB TYR B 106 9.612 -13.285 14.827 1.00 5.00 C ATOM 862 CG TYR B 106 10.574 -12.847 13.713 1.00 61.01 C ATOM 863 CD1 TYR B 106 11.118 -11.570 13.729 1.00 3.41 C ATOM 864 CD2 TYR B 106 10.914 -13.679 12.640 1.00 4.52 C ATOM 865 CE1 TYR B 106 11.951 -11.117 12.733 1.00 65.42 C ATOM 866 CE2 TYR B 106 11.760 -13.234 11.633 1.00 42.22 C ATOM 867 CZ TYR B 106 12.274 -11.950 11.687 1.00 52.51 C ATOM 868 OH TYR B 106 13.122 -11.497 10.693 1.00 12.42 O ATOM 0 H TYR B 106 7.947 -13.400 16.674 1.00 5.14 H new ATOM 0 HA TYR B 106 8.379 -11.529 14.646 1.00 22.54 H new ATOM 0 HB2 TYR B 106 10.065 -13.064 15.794 1.00 5.00 H new ATOM 0 HB3 TYR B 106 9.479 -14.366 14.776 1.00 5.00 H new ATOM 0 HD1 TYR B 106 10.879 -10.911 14.550 1.00 3.41 H new ATOM 0 HD2 TYR B 106 10.513 -14.681 12.595 1.00 4.52 H new ATOM 0 HE1 TYR B 106 12.349 -10.114 12.772 1.00 65.42 H new ATOM 0 HE2 TYR B 106 12.016 -13.887 10.811 1.00 42.22 H new ATOM 0 HH TYR B 106 13.252 -12.204 10.027 1.00 12.42 H new ATOM 878 N GLU B 107 6.932 -14.364 13.670 1.00 4.41 N ATOM 879 CA GLU B 107 6.207 -15.069 12.600 1.00 23.33 C ATOM 880 C GLU B 107 4.853 -14.414 12.261 1.00 30.31 C ATOM 881 O GLU B 107 4.509 -14.329 11.090 1.00 72.33 O ATOM 882 CB GLU B 107 6.015 -16.545 13.013 1.00 32.51 C ATOM 883 CG GLU B 107 7.339 -17.324 13.138 1.00 12.43 C ATOM 884 CD GLU B 107 7.164 -18.754 13.666 1.00 61.31 C ATOM 885 OE1 GLU B 107 7.219 -18.953 14.898 1.00 51.42 O ATOM 886 OE2 GLU B 107 6.962 -19.683 12.850 1.00 2.41 O ATOM 0 H GLU B 107 7.018 -14.910 14.527 1.00 4.41 H new ATOM 0 HA GLU B 107 6.806 -15.008 11.691 1.00 23.33 H new ATOM 0 HB2 GLU B 107 5.489 -16.582 13.967 1.00 32.51 H new ATOM 0 HB3 GLU B 107 5.379 -17.040 12.279 1.00 32.51 H new ATOM 0 HG2 GLU B 107 7.821 -17.363 12.161 1.00 12.43 H new ATOM 0 HG3 GLU B 107 8.009 -16.780 13.803 1.00 12.43 H new ATOM 893 N GLN B 108 4.110 -13.945 13.292 1.00 14.14 N ATOM 894 CA GLN B 108 2.754 -13.367 13.107 1.00 71.40 C ATOM 895 C GLN B 108 2.827 -12.051 12.330 1.00 52.44 C ATOM 896 O GLN B 108 2.151 -11.892 11.305 1.00 1.12 O ATOM 897 CB GLN B 108 1.999 -13.140 14.462 1.00 44.20 C ATOM 898 CG GLN B 108 1.780 -14.399 15.343 1.00 12.14 C ATOM 899 CD GLN B 108 1.518 -15.681 14.548 1.00 73.50 C ATOM 900 OE1 GLN B 108 0.377 -16.033 14.252 1.00 64.10 O ATOM 901 NE2 GLN B 108 2.581 -16.382 14.188 1.00 1.14 N ATOM 0 H GLN B 108 4.426 -13.955 14.262 1.00 14.14 H new ATOM 0 HA GLN B 108 2.184 -14.099 12.535 1.00 71.40 H new ATOM 0 HB2 GLN B 108 2.555 -12.406 15.045 1.00 44.20 H new ATOM 0 HB3 GLN B 108 1.025 -12.702 14.243 1.00 44.20 H new ATOM 0 HG2 GLN B 108 2.659 -14.547 15.971 1.00 12.14 H new ATOM 0 HG3 GLN B 108 0.937 -14.220 16.011 1.00 12.14 H new ATOM 0 HE21 GLN B 108 3.514 -16.064 14.449 1.00 1.14 H new ATOM 0 HE22 GLN B 108 2.467 -17.241 13.650 1.00 1.14 H new ATOM 910 N ILE B 109 3.670 -11.117 12.826 1.00 2.54 N ATOM 911 CA ILE B 109 3.780 -9.774 12.243 1.00 32.40 C ATOM 912 C ILE B 109 4.463 -9.839 10.864 1.00 13.14 C ATOM 913 O ILE B 109 4.069 -9.108 9.966 1.00 72.52 O ATOM 914 CB ILE B 109 4.568 -8.755 13.148 1.00 13.45 C ATOM 915 CG1 ILE B 109 4.159 -8.858 14.645 1.00 13.20 C ATOM 916 CG2 ILE B 109 4.350 -7.308 12.637 1.00 52.54 C ATOM 917 CD1 ILE B 109 4.999 -7.988 15.563 1.00 22.20 C ATOM 0 H ILE B 109 4.280 -11.275 13.628 1.00 2.54 H new ATOM 0 HA ILE B 109 2.757 -9.409 12.153 1.00 32.40 H new ATOM 0 HB ILE B 109 5.625 -9.012 13.080 1.00 13.45 H new ATOM 0 HG12 ILE B 109 3.111 -8.575 14.748 1.00 13.20 H new ATOM 0 HG13 ILE B 109 4.242 -9.897 14.966 1.00 13.20 H new ATOM 0 HG21 ILE B 109 4.900 -6.612 13.270 1.00 52.54 H new ATOM 0 HG22 ILE B 109 4.709 -7.226 11.611 1.00 52.54 H new ATOM 0 HG23 ILE B 109 3.288 -7.067 12.670 1.00 52.54 H new ATOM 0 HD11 ILE B 109 4.659 -8.110 16.591 1.00 22.20 H new ATOM 0 HD12 ILE B 109 6.045 -8.285 15.489 1.00 22.20 H new ATOM 0 HD13 ILE B 109 4.897 -6.944 15.268 1.00 22.20 H new ATOM 929 N LEU B 110 5.491 -10.710 10.721 1.00 72.03 N ATOM 930 CA LEU B 110 6.241 -10.887 9.449 1.00 31.05 C ATOM 931 C LEU B 110 5.351 -11.581 8.391 1.00 61.11 C ATOM 932 O LEU B 110 5.501 -11.323 7.200 1.00 71.42 O ATOM 933 CB LEU B 110 7.584 -11.670 9.690 1.00 21.31 C ATOM 934 CG LEU B 110 8.795 -11.415 8.709 1.00 41.31 C ATOM 935 CD1 LEU B 110 8.595 -12.039 7.312 1.00 25.21 C ATOM 936 CD2 LEU B 110 9.118 -9.903 8.607 1.00 43.14 C ATOM 0 H LEU B 110 5.824 -11.307 11.478 1.00 72.03 H new ATOM 0 HA LEU B 110 6.510 -9.904 9.063 1.00 31.05 H new ATOM 0 HB2 LEU B 110 7.923 -11.442 10.701 1.00 21.31 H new ATOM 0 HB3 LEU B 110 7.355 -12.735 9.663 1.00 21.31 H new ATOM 0 HG LEU B 110 9.653 -11.926 9.145 1.00 41.31 H new ATOM 0 HD11 LEU B 110 9.464 -11.825 6.690 1.00 25.21 H new ATOM 0 HD12 LEU B 110 8.475 -13.118 7.409 1.00 25.21 H new ATOM 0 HD13 LEU B 110 7.704 -11.615 6.848 1.00 25.21 H new ATOM 0 HD21 LEU B 110 9.956 -9.755 7.925 1.00 43.14 H new ATOM 0 HD22 LEU B 110 8.245 -9.369 8.231 1.00 43.14 H new ATOM 0 HD23 LEU B 110 9.381 -9.520 9.593 1.00 43.14 H new ATOM 948 N ALA B 111 4.413 -12.449 8.841 1.00 3.15 N ATOM 949 CA ALA B 111 3.408 -13.072 7.949 1.00 14.22 C ATOM 950 C ALA B 111 2.465 -11.995 7.385 1.00 24.44 C ATOM 951 O ALA B 111 2.195 -11.962 6.182 1.00 3.33 O ATOM 952 CB ALA B 111 2.606 -14.161 8.684 1.00 31.43 C ATOM 0 H ALA B 111 4.332 -12.733 9.817 1.00 3.15 H new ATOM 0 HA ALA B 111 3.935 -13.550 7.123 1.00 14.22 H new ATOM 0 HB1 ALA B 111 1.877 -14.599 8.002 1.00 31.43 H new ATOM 0 HB2 ALA B 111 3.285 -14.937 9.036 1.00 31.43 H new ATOM 0 HB3 ALA B 111 2.087 -13.719 9.535 1.00 31.43 H new ATOM 958 N GLU B 112 1.992 -11.105 8.278 1.00 21.13 N ATOM 959 CA GLU B 112 1.128 -9.976 7.903 1.00 33.21 C ATOM 960 C GLU B 112 1.922 -8.941 7.077 1.00 72.00 C ATOM 961 O GLU B 112 1.381 -8.338 6.172 1.00 52.22 O ATOM 962 CB GLU B 112 0.516 -9.320 9.173 1.00 72.22 C ATOM 963 CG GLU B 112 -0.507 -8.181 8.905 1.00 73.40 C ATOM 964 CD GLU B 112 -1.878 -8.607 8.333 1.00 63.03 C ATOM 965 OE1 GLU B 112 -2.721 -7.715 8.092 1.00 22.11 O ATOM 966 OE2 GLU B 112 -2.136 -9.818 8.120 1.00 12.03 O ATOM 0 H GLU B 112 2.199 -11.150 9.276 1.00 21.13 H new ATOM 0 HA GLU B 112 0.312 -10.350 7.285 1.00 33.21 H new ATOM 0 HB2 GLU B 112 0.026 -10.095 9.762 1.00 72.22 H new ATOM 0 HB3 GLU B 112 1.327 -8.922 9.783 1.00 72.22 H new ATOM 0 HG2 GLU B 112 -0.678 -7.649 9.841 1.00 73.40 H new ATOM 0 HG3 GLU B 112 -0.054 -7.471 8.213 1.00 73.40 H new ATOM 973 N ASN B 113 3.225 -8.795 7.389 1.00 1.11 N ATOM 974 CA ASN B 113 4.154 -7.848 6.723 1.00 41.34 C ATOM 975 C ASN B 113 4.421 -8.309 5.280 1.00 23.23 C ATOM 976 O ASN B 113 4.524 -7.489 4.363 1.00 22.24 O ATOM 977 CB ASN B 113 5.486 -7.782 7.524 1.00 13.04 C ATOM 978 CG ASN B 113 6.476 -6.723 7.036 1.00 55.00 C ATOM 979 OD1 ASN B 113 7.254 -6.955 6.114 1.00 23.21 O ATOM 980 ND2 ASN B 113 6.477 -5.560 7.666 1.00 14.34 N ATOM 0 H ASN B 113 3.674 -9.341 8.125 1.00 1.11 H new ATOM 0 HA ASN B 113 3.706 -6.855 6.695 1.00 41.34 H new ATOM 0 HB2 ASN B 113 5.255 -7.588 8.571 1.00 13.04 H new ATOM 0 HB3 ASN B 113 5.969 -8.758 7.480 1.00 13.04 H new ATOM 0 HD21 ASN B 113 7.134 -4.831 7.389 1.00 14.34 H new ATOM 0 HD22 ASN B 113 5.821 -5.392 8.429 1.00 14.34 H new ATOM 987 N GLU B 114 4.530 -9.648 5.124 1.00 12.22 N ATOM 988 CA GLU B 114 4.619 -10.334 3.824 1.00 50.24 C ATOM 989 C GLU B 114 3.352 -10.059 3.018 1.00 52.21 C ATOM 990 O GLU B 114 3.428 -9.674 1.851 1.00 72.03 O ATOM 991 CB GLU B 114 4.830 -11.879 4.025 1.00 52.43 C ATOM 992 CG GLU B 114 4.193 -12.775 2.934 1.00 0.11 C ATOM 993 CD GLU B 114 4.621 -14.249 3.003 1.00 54.41 C ATOM 994 OE1 GLU B 114 5.632 -14.624 2.358 1.00 73.30 O ATOM 995 OE2 GLU B 114 3.954 -15.050 3.698 1.00 3.13 O ATOM 0 H GLU B 114 4.559 -10.290 5.916 1.00 12.22 H new ATOM 0 HA GLU B 114 5.479 -9.951 3.275 1.00 50.24 H new ATOM 0 HB2 GLU B 114 5.900 -12.082 4.061 1.00 52.43 H new ATOM 0 HB3 GLU B 114 4.418 -12.164 4.993 1.00 52.43 H new ATOM 0 HG2 GLU B 114 3.108 -12.719 3.021 1.00 0.11 H new ATOM 0 HG3 GLU B 114 4.455 -12.377 1.954 1.00 0.11 H new ATOM 1002 N LYS B 115 2.195 -10.274 3.673 1.00 0.53 N ATOM 1003 CA LYS B 115 0.885 -10.044 3.074 1.00 24.24 C ATOM 1004 C LYS B 115 0.773 -8.593 2.590 1.00 1.10 C ATOM 1005 O LYS B 115 0.307 -8.350 1.493 1.00 53.44 O ATOM 1006 CB LYS B 115 -0.259 -10.332 4.084 1.00 4.03 C ATOM 1007 CG LYS B 115 -1.690 -10.256 3.466 1.00 65.15 C ATOM 1008 CD LYS B 115 -2.758 -9.638 4.404 1.00 71.00 C ATOM 1009 CE LYS B 115 -2.538 -8.128 4.644 1.00 43.41 C ATOM 1010 NZ LYS B 115 -3.647 -7.519 5.431 1.00 54.03 N ATOM 0 H LYS B 115 2.152 -10.613 4.634 1.00 0.53 H new ATOM 0 HA LYS B 115 0.785 -10.727 2.230 1.00 24.24 H new ATOM 0 HB2 LYS B 115 -0.111 -11.324 4.510 1.00 4.03 H new ATOM 0 HB3 LYS B 115 -0.192 -9.619 4.906 1.00 4.03 H new ATOM 0 HG2 LYS B 115 -1.646 -9.669 2.548 1.00 65.15 H new ATOM 0 HG3 LYS B 115 -2.006 -11.261 3.187 1.00 65.15 H new ATOM 0 HD2 LYS B 115 -3.747 -9.793 3.973 1.00 71.00 H new ATOM 0 HD3 LYS B 115 -2.741 -10.160 5.361 1.00 71.00 H new ATOM 0 HE2 LYS B 115 -1.595 -7.978 5.171 1.00 43.41 H new ATOM 0 HE3 LYS B 115 -2.452 -7.618 3.685 1.00 43.41 H new ATOM 0 HZ1 LYS B 115 -3.792 -6.536 5.123 1.00 54.03 H new ATOM 0 HZ2 LYS B 115 -4.521 -8.062 5.278 1.00 54.03 H new ATOM 0 HZ3 LYS B 115 -3.404 -7.533 6.442 1.00 54.03 H new ATOM 1024 N LEU B 116 1.261 -7.655 3.428 1.00 70.23 N ATOM 1025 CA LEU B 116 1.218 -6.213 3.160 1.00 13.32 C ATOM 1026 C LEU B 116 2.153 -5.838 1.997 1.00 23.13 C ATOM 1027 O LEU B 116 1.840 -4.954 1.206 1.00 72.44 O ATOM 1028 CB LEU B 116 1.548 -5.406 4.441 1.00 63.42 C ATOM 1029 CG LEU B 116 0.479 -5.470 5.577 1.00 43.13 C ATOM 1030 CD1 LEU B 116 0.987 -4.821 6.872 1.00 52.31 C ATOM 1031 CD2 LEU B 116 -0.852 -4.840 5.139 1.00 21.31 C ATOM 0 H LEU B 116 1.700 -7.886 4.319 1.00 70.23 H new ATOM 0 HA LEU B 116 0.204 -5.953 2.858 1.00 13.32 H new ATOM 0 HB2 LEU B 116 2.497 -5.765 4.840 1.00 63.42 H new ATOM 0 HB3 LEU B 116 1.694 -4.362 4.163 1.00 63.42 H new ATOM 0 HG LEU B 116 0.299 -6.525 5.781 1.00 43.13 H new ATOM 0 HD11 LEU B 116 0.215 -4.885 7.639 1.00 52.31 H new ATOM 0 HD12 LEU B 116 1.882 -5.342 7.213 1.00 52.31 H new ATOM 0 HD13 LEU B 116 1.226 -3.774 6.685 1.00 52.31 H new ATOM 0 HD21 LEU B 116 -1.571 -4.903 5.956 1.00 21.31 H new ATOM 0 HD22 LEU B 116 -0.691 -3.794 4.878 1.00 21.31 H new ATOM 0 HD23 LEU B 116 -1.240 -5.375 4.272 1.00 21.31 H new ATOM 1043 N LYS B 117 3.288 -6.533 1.897 1.00 1.12 N ATOM 1044 CA LYS B 117 4.246 -6.360 0.798 1.00 72.00 C ATOM 1045 C LYS B 117 3.649 -6.869 -0.533 1.00 74.21 C ATOM 1046 O LYS B 117 3.836 -6.267 -1.597 1.00 63.42 O ATOM 1047 CB LYS B 117 5.580 -7.096 1.124 1.00 41.04 C ATOM 1048 CG LYS B 117 6.818 -6.562 0.364 1.00 41.03 C ATOM 1049 CD LYS B 117 7.107 -5.076 0.669 1.00 72.44 C ATOM 1050 CE LYS B 117 7.268 -4.798 2.179 1.00 74.34 C ATOM 1051 NZ LYS B 117 8.503 -5.410 2.740 1.00 55.30 N ATOM 0 H LYS B 117 3.572 -7.236 2.579 1.00 1.12 H new ATOM 0 HA LYS B 117 4.457 -5.296 0.687 1.00 72.00 H new ATOM 0 HB2 LYS B 117 5.768 -7.020 2.195 1.00 41.04 H new ATOM 0 HB3 LYS B 117 5.460 -8.155 0.895 1.00 41.04 H new ATOM 0 HG2 LYS B 117 7.689 -7.160 0.631 1.00 41.03 H new ATOM 0 HG3 LYS B 117 6.663 -6.686 -0.708 1.00 41.03 H new ATOM 0 HD2 LYS B 117 8.016 -4.773 0.149 1.00 72.44 H new ATOM 0 HD3 LYS B 117 6.295 -4.464 0.276 1.00 72.44 H new ATOM 0 HE2 LYS B 117 7.291 -3.721 2.347 1.00 74.34 H new ATOM 0 HE3 LYS B 117 6.400 -5.185 2.712 1.00 74.34 H new ATOM 0 HZ1 LYS B 117 8.566 -5.196 3.756 1.00 55.30 H new ATOM 0 HZ2 LYS B 117 8.472 -6.441 2.605 1.00 55.30 H new ATOM 0 HZ3 LYS B 117 9.335 -5.022 2.252 1.00 55.30 H new ATOM 1065 N ALA B 118 2.889 -7.967 -0.427 1.00 20.30 N ATOM 1066 CA ALA B 118 2.303 -8.663 -1.574 1.00 71.04 C ATOM 1067 C ALA B 118 1.063 -7.922 -2.099 1.00 4.52 C ATOM 1068 O ALA B 118 0.880 -7.799 -3.307 1.00 33.03 O ATOM 1069 CB ALA B 118 1.964 -10.104 -1.185 1.00 4.41 C ATOM 0 H ALA B 118 2.663 -8.400 0.469 1.00 20.30 H new ATOM 0 HA ALA B 118 3.033 -8.682 -2.383 1.00 71.04 H new ATOM 0 HB1 ALA B 118 1.528 -10.619 -2.041 1.00 4.41 H new ATOM 0 HB2 ALA B 118 2.872 -10.620 -0.875 1.00 4.41 H new ATOM 0 HB3 ALA B 118 1.250 -10.100 -0.362 1.00 4.41 H new ATOM 1075 N GLN B 119 0.230 -7.408 -1.175 1.00 2.43 N ATOM 1076 CA GLN B 119 -1.008 -6.704 -1.530 1.00 21.32 C ATOM 1077 C GLN B 119 -0.677 -5.349 -2.149 1.00 12.25 C ATOM 1078 O GLN B 119 -1.335 -4.947 -3.093 1.00 53.53 O ATOM 1079 CB GLN B 119 -1.962 -6.563 -0.299 1.00 42.02 C ATOM 1080 CG GLN B 119 -1.394 -5.777 0.906 1.00 24.44 C ATOM 1081 CD GLN B 119 -1.523 -4.251 0.833 1.00 72.30 C ATOM 1082 OE1 GLN B 119 -2.470 -3.708 0.259 1.00 24.20 O ATOM 1083 NE2 GLN B 119 -0.548 -3.552 1.393 1.00 3.51 N ATOM 0 H GLN B 119 0.397 -7.470 -0.171 1.00 2.43 H new ATOM 0 HA GLN B 119 -1.544 -7.297 -2.271 1.00 21.32 H new ATOM 0 HB2 GLN B 119 -2.879 -6.074 -0.628 1.00 42.02 H new ATOM 0 HB3 GLN B 119 -2.237 -7.562 0.040 1.00 42.02 H new ATOM 0 HG2 GLN B 119 -1.897 -6.122 1.809 1.00 24.44 H new ATOM 0 HG3 GLN B 119 -0.339 -6.028 1.014 1.00 24.44 H new ATOM 0 HE21 GLN B 119 0.221 -4.033 1.860 1.00 3.51 H new ATOM 0 HE22 GLN B 119 -0.566 -2.533 1.357 1.00 3.51 H new ATOM 1092 N LEU B 120 0.356 -4.651 -1.603 1.00 0.53 N ATOM 1093 CA LEU B 120 0.785 -3.346 -2.130 1.00 60.55 C ATOM 1094 C LEU B 120 1.350 -3.526 -3.543 1.00 31.34 C ATOM 1095 O LEU B 120 1.118 -2.686 -4.401 1.00 54.14 O ATOM 1096 CB LEU B 120 1.795 -2.626 -1.166 1.00 1.01 C ATOM 1097 CG LEU B 120 3.333 -2.992 -1.238 1.00 74.54 C ATOM 1098 CD1 LEU B 120 4.104 -2.178 -2.310 1.00 54.31 C ATOM 1099 CD2 LEU B 120 4.010 -2.817 0.128 1.00 34.14 C ATOM 0 H LEU B 120 0.898 -4.977 -0.803 1.00 0.53 H new ATOM 0 HA LEU B 120 -0.082 -2.688 -2.190 1.00 60.55 H new ATOM 0 HB2 LEU B 120 1.705 -1.554 -1.340 1.00 1.01 H new ATOM 0 HB3 LEU B 120 1.462 -2.812 -0.145 1.00 1.01 H new ATOM 0 HG LEU B 120 3.374 -4.041 -1.533 1.00 74.54 H new ATOM 0 HD11 LEU B 120 5.152 -2.476 -2.309 1.00 54.31 H new ATOM 0 HD12 LEU B 120 3.673 -2.371 -3.293 1.00 54.31 H new ATOM 0 HD13 LEU B 120 4.029 -1.115 -2.083 1.00 54.31 H new ATOM 0 HD21 LEU B 120 5.066 -3.076 0.047 1.00 34.14 H new ATOM 0 HD22 LEU B 120 3.914 -1.780 0.451 1.00 34.14 H new ATOM 0 HD23 LEU B 120 3.531 -3.470 0.858 1.00 34.14 H new ATOM 1111 N HIS B 121 2.090 -4.642 -3.761 1.00 33.33 N ATOM 1112 CA HIS B 121 2.567 -5.055 -5.094 1.00 54.12 C ATOM 1113 C HIS B 121 1.402 -5.094 -6.107 1.00 41.11 C ATOM 1114 O HIS B 121 1.456 -4.418 -7.131 1.00 21.43 O ATOM 1115 CB HIS B 121 3.276 -6.433 -4.997 1.00 11.45 C ATOM 1116 CG HIS B 121 3.328 -7.227 -6.288 1.00 52.41 C ATOM 1117 ND1 HIS B 121 2.460 -8.270 -6.555 1.00 54.24 N ATOM 1118 CD2 HIS B 121 4.116 -7.123 -7.385 1.00 44.32 C ATOM 1119 CE1 HIS B 121 2.713 -8.763 -7.744 1.00 73.10 C ATOM 1120 NE2 HIS B 121 3.712 -8.087 -8.272 1.00 64.53 N ATOM 0 H HIS B 121 2.370 -5.277 -3.014 1.00 33.33 H new ATOM 0 HA HIS B 121 3.288 -4.321 -5.454 1.00 54.12 H new ATOM 0 HB2 HIS B 121 4.296 -6.275 -4.646 1.00 11.45 H new ATOM 0 HB3 HIS B 121 2.768 -7.032 -4.241 1.00 11.45 H new ATOM 0 HD1 HIS B 121 1.733 -8.605 -5.923 1.00 54.24 H new ATOM 0 HD2 HIS B 121 4.915 -6.412 -7.533 1.00 44.32 H new ATOM 0 HE1 HIS B 121 2.190 -9.585 -8.211 1.00 73.10 H new ATOM 1129 N ASP B 122 0.359 -5.880 -5.778 1.00 54.13 N ATOM 1130 CA ASP B 122 -0.833 -6.045 -6.634 1.00 65.44 C ATOM 1131 C ASP B 122 -1.549 -4.706 -6.853 1.00 60.53 C ATOM 1132 O ASP B 122 -1.899 -4.374 -7.980 1.00 32.45 O ATOM 1133 CB ASP B 122 -1.803 -7.095 -6.025 1.00 52.32 C ATOM 1134 CG ASP B 122 -1.315 -8.539 -6.233 1.00 5.50 C ATOM 1135 OD1 ASP B 122 -0.354 -8.960 -5.559 1.00 74.32 O ATOM 1136 OD2 ASP B 122 -1.876 -9.256 -7.096 1.00 11.13 O ATOM 0 H ASP B 122 0.318 -6.418 -4.912 1.00 54.13 H new ATOM 0 HA ASP B 122 -0.500 -6.407 -7.607 1.00 65.44 H new ATOM 0 HB2 ASP B 122 -1.917 -6.904 -4.958 1.00 52.32 H new ATOM 0 HB3 ASP B 122 -2.788 -6.979 -6.477 1.00 52.32 H new ATOM 1141 N THR B 123 -1.703 -3.931 -5.765 1.00 43.14 N ATOM 1142 CA THR B 123 -2.384 -2.621 -5.774 1.00 10.12 C ATOM 1143 C THR B 123 -1.611 -1.583 -6.628 1.00 65.54 C ATOM 1144 O THR B 123 -2.212 -0.674 -7.202 1.00 12.32 O ATOM 1145 CB THR B 123 -2.575 -2.095 -4.308 1.00 25.54 C ATOM 1146 OG1 THR B 123 -3.260 -3.092 -3.529 1.00 60.25 O ATOM 1147 CG2 THR B 123 -3.385 -0.793 -4.242 1.00 64.51 C ATOM 0 H THR B 123 -1.355 -4.198 -4.844 1.00 43.14 H new ATOM 0 HA THR B 123 -3.365 -2.758 -6.230 1.00 10.12 H new ATOM 0 HB THR B 123 -1.579 -1.892 -3.913 1.00 25.54 H new ATOM 0 HG1 THR B 123 -2.630 -3.798 -3.275 1.00 60.25 H new ATOM 0 HG21 THR B 123 -3.484 -0.478 -3.203 1.00 64.51 H new ATOM 0 HG22 THR B 123 -2.872 -0.016 -4.809 1.00 64.51 H new ATOM 0 HG23 THR B 123 -4.375 -0.958 -4.667 1.00 64.51 H new ATOM 1155 N ASN B 124 -0.273 -1.741 -6.699 1.00 51.31 N ATOM 1156 CA ASN B 124 0.611 -0.897 -7.531 1.00 13.22 C ATOM 1157 C ASN B 124 0.549 -1.325 -8.999 1.00 64.21 C ATOM 1158 O ASN B 124 0.667 -0.479 -9.875 1.00 43.15 O ATOM 1159 CB ASN B 124 2.081 -0.918 -6.998 1.00 52.00 C ATOM 1160 CG ASN B 124 2.341 0.186 -5.966 1.00 54.42 C ATOM 1161 OD1 ASN B 124 2.955 1.209 -6.274 1.00 14.11 O ATOM 1162 ND2 ASN B 124 1.799 0.038 -4.768 1.00 22.22 N ATOM 0 H ASN B 124 0.227 -2.461 -6.178 1.00 51.31 H new ATOM 0 HA ASN B 124 0.252 0.130 -7.465 1.00 13.22 H new ATOM 0 HB2 ASN B 124 2.288 -1.889 -6.548 1.00 52.00 H new ATOM 0 HB3 ASN B 124 2.770 -0.800 -7.834 1.00 52.00 H new ATOM 0 HD21 ASN B 124 1.884 0.781 -4.074 1.00 22.22 H new ATOM 0 HD22 ASN B 124 1.296 -0.819 -4.538 1.00 22.22 H new ATOM 1169 N MET B 125 0.383 -2.638 -9.255 1.00 15.15 N ATOM 1170 CA MET B 125 0.152 -3.165 -10.613 1.00 10.42 C ATOM 1171 C MET B 125 -1.200 -2.674 -11.155 1.00 32.31 C ATOM 1172 O MET B 125 -1.344 -2.438 -12.359 1.00 33.12 O ATOM 1173 CB MET B 125 0.207 -4.711 -10.595 1.00 62.42 C ATOM 1174 CG MET B 125 1.579 -5.274 -10.191 1.00 3.33 C ATOM 1175 SD MET B 125 2.842 -5.032 -11.460 1.00 22.23 S ATOM 1176 CE MET B 125 2.215 -6.054 -12.795 1.00 4.24 C ATOM 0 H MET B 125 0.405 -3.357 -8.532 1.00 15.15 H new ATOM 0 HA MET B 125 0.936 -2.797 -11.275 1.00 10.42 H new ATOM 0 HB2 MET B 125 -0.548 -5.085 -9.903 1.00 62.42 H new ATOM 0 HB3 MET B 125 -0.053 -5.087 -11.584 1.00 62.42 H new ATOM 0 HG2 MET B 125 1.904 -4.796 -9.267 1.00 3.33 H new ATOM 0 HG3 MET B 125 1.481 -6.339 -9.982 1.00 3.33 H new ATOM 0 HE1 MET B 125 3.026 -6.291 -13.484 1.00 4.24 H new ATOM 0 HE2 MET B 125 1.806 -6.978 -12.385 1.00 4.24 H new ATOM 0 HE3 MET B 125 1.431 -5.516 -13.328 1.00 4.24 H new ATOM 1186 N GLU B 126 -2.181 -2.525 -10.247 1.00 55.23 N ATOM 1187 CA GLU B 126 -3.492 -1.958 -10.573 1.00 12.44 C ATOM 1188 C GLU B 126 -3.360 -0.458 -10.837 1.00 14.41 C ATOM 1189 O GLU B 126 -3.862 0.020 -11.835 1.00 0.03 O ATOM 1190 CB GLU B 126 -4.503 -2.214 -9.438 1.00 75.30 C ATOM 1191 CG GLU B 126 -4.735 -3.694 -9.085 1.00 22.34 C ATOM 1192 CD GLU B 126 -5.292 -4.527 -10.255 1.00 53.24 C ATOM 1193 OE1 GLU B 126 -6.530 -4.577 -10.420 1.00 20.23 O ATOM 1194 OE2 GLU B 126 -4.503 -5.126 -11.021 1.00 62.15 O ATOM 0 H GLU B 126 -2.083 -2.796 -9.268 1.00 55.23 H new ATOM 0 HA GLU B 126 -3.864 -2.448 -11.473 1.00 12.44 H new ATOM 0 HB2 GLU B 126 -4.160 -1.694 -8.544 1.00 75.30 H new ATOM 0 HB3 GLU B 126 -5.458 -1.770 -9.718 1.00 75.30 H new ATOM 0 HG2 GLU B 126 -3.793 -4.132 -8.754 1.00 22.34 H new ATOM 0 HG3 GLU B 126 -5.427 -3.754 -8.245 1.00 22.34 H new ATOM 1201 N LEU B 127 -2.657 0.269 -9.943 1.00 42.55 N ATOM 1202 CA LEU B 127 -2.375 1.717 -10.131 1.00 1.15 C ATOM 1203 C LEU B 127 -1.709 1.973 -11.508 1.00 33.25 C ATOM 1204 O LEU B 127 -2.102 2.898 -12.230 1.00 3.44 O ATOM 1205 CB LEU B 127 -1.473 2.256 -8.988 1.00 64.13 C ATOM 1206 CG LEU B 127 -1.068 3.767 -9.090 1.00 31.34 C ATOM 1207 CD1 LEU B 127 -2.299 4.697 -8.994 1.00 70.25 C ATOM 1208 CD2 LEU B 127 0.006 4.127 -8.045 1.00 33.11 C ATOM 0 H LEU B 127 -2.272 -0.119 -9.082 1.00 42.55 H new ATOM 0 HA LEU B 127 -3.325 2.251 -10.102 1.00 1.15 H new ATOM 0 HB2 LEU B 127 -1.989 2.101 -8.040 1.00 64.13 H new ATOM 0 HB3 LEU B 127 -0.563 1.657 -8.957 1.00 64.13 H new ATOM 0 HG LEU B 127 -0.630 3.924 -10.076 1.00 31.34 H new ATOM 0 HD11 LEU B 127 -1.977 5.736 -9.069 1.00 70.25 H new ATOM 0 HD12 LEU B 127 -2.989 4.472 -9.807 1.00 70.25 H new ATOM 0 HD13 LEU B 127 -2.800 4.540 -8.039 1.00 70.25 H new ATOM 0 HD21 LEU B 127 0.267 5.181 -8.140 1.00 33.11 H new ATOM 0 HD22 LEU B 127 -0.382 3.938 -7.044 1.00 33.11 H new ATOM 0 HD23 LEU B 127 0.894 3.517 -8.211 1.00 33.11 H new ATOM 1220 N THR B 128 -0.727 1.106 -11.856 1.00 71.30 N ATOM 1221 CA THR B 128 -0.043 1.127 -13.158 1.00 20.42 C ATOM 1222 C THR B 128 -1.047 0.844 -14.297 1.00 74.41 C ATOM 1223 O THR B 128 -0.971 1.452 -15.356 1.00 75.41 O ATOM 1224 CB THR B 128 1.136 0.089 -13.197 1.00 0.14 C ATOM 1225 OG1 THR B 128 2.014 0.309 -12.081 1.00 62.23 O ATOM 1226 CG2 THR B 128 1.962 0.176 -14.493 1.00 61.21 C ATOM 0 H THR B 128 -0.391 0.372 -11.233 1.00 71.30 H new ATOM 0 HA THR B 128 0.380 2.122 -13.300 1.00 20.42 H new ATOM 0 HB THR B 128 0.684 -0.902 -13.151 1.00 0.14 H new ATOM 0 HG1 THR B 128 1.554 0.068 -11.250 1.00 62.23 H new ATOM 0 HG21 THR B 128 2.762 -0.564 -14.465 1.00 61.21 H new ATOM 0 HG22 THR B 128 1.317 -0.020 -15.349 1.00 61.21 H new ATOM 0 HG23 THR B 128 2.393 1.173 -14.584 1.00 61.21 H new ATOM 1234 N ASP B 129 -2.005 -0.058 -14.035 1.00 31.11 N ATOM 1235 CA ASP B 129 -3.049 -0.453 -14.999 1.00 34.44 C ATOM 1236 C ASP B 129 -4.013 0.724 -15.305 1.00 52.32 C ATOM 1237 O ASP B 129 -4.274 1.006 -16.479 1.00 43.02 O ATOM 1238 CB ASP B 129 -3.820 -1.689 -14.446 1.00 42.23 C ATOM 1239 CG ASP B 129 -4.965 -2.181 -15.352 1.00 51.21 C ATOM 1240 OD1 ASP B 129 -4.696 -2.964 -16.285 1.00 55.32 O ATOM 1241 OD2 ASP B 129 -6.135 -1.811 -15.117 1.00 52.54 O ATOM 0 H ASP B 129 -2.079 -0.540 -13.139 1.00 31.11 H new ATOM 0 HA ASP B 129 -2.575 -0.724 -15.942 1.00 34.44 H new ATOM 0 HB2 ASP B 129 -3.114 -2.506 -14.297 1.00 42.23 H new ATOM 0 HB3 ASP B 129 -4.229 -1.439 -13.467 1.00 42.23 H new ATOM 1246 N LEU B 130 -4.506 1.421 -14.256 1.00 75.11 N ATOM 1247 CA LEU B 130 -5.449 2.554 -14.413 1.00 64.34 C ATOM 1248 C LEU B 130 -4.791 3.727 -15.169 1.00 23.43 C ATOM 1249 O LEU B 130 -5.374 4.269 -16.122 1.00 52.42 O ATOM 1250 CB LEU B 130 -6.014 3.056 -13.041 1.00 70.53 C ATOM 1251 CG LEU B 130 -7.117 2.181 -12.321 1.00 42.42 C ATOM 1252 CD1 LEU B 130 -8.051 1.468 -13.315 1.00 52.42 C ATOM 1253 CD2 LEU B 130 -6.546 1.199 -11.289 1.00 42.40 C ATOM 0 H LEU B 130 -4.265 1.218 -13.286 1.00 75.11 H new ATOM 0 HA LEU B 130 -6.286 2.176 -15.000 1.00 64.34 H new ATOM 0 HB2 LEU B 130 -5.174 3.164 -12.355 1.00 70.53 H new ATOM 0 HB3 LEU B 130 -6.428 4.052 -13.196 1.00 70.53 H new ATOM 0 HG LEU B 130 -7.720 2.897 -11.763 1.00 42.42 H new ATOM 0 HD11 LEU B 130 -8.788 0.882 -12.766 1.00 52.42 H new ATOM 0 HD12 LEU B 130 -8.562 2.209 -13.930 1.00 52.42 H new ATOM 0 HD13 LEU B 130 -7.466 0.807 -13.954 1.00 52.42 H new ATOM 0 HD21 LEU B 130 -7.360 0.633 -10.836 1.00 42.40 H new ATOM 0 HD22 LEU B 130 -5.857 0.513 -11.782 1.00 42.40 H new ATOM 0 HD23 LEU B 130 -6.014 1.753 -10.515 1.00 42.40 H new ATOM 1265 N LYS B 131 -3.556 4.092 -14.748 1.00 71.15 N ATOM 1266 CA LYS B 131 -2.820 5.226 -15.345 1.00 34.23 C ATOM 1267 C LYS B 131 -2.412 4.893 -16.799 1.00 0.44 C ATOM 1268 O LYS B 131 -2.306 5.792 -17.638 1.00 44.20 O ATOM 1269 CB LYS B 131 -1.588 5.634 -14.455 1.00 10.22 C ATOM 1270 CG LYS B 131 -0.379 4.652 -14.423 1.00 20.42 C ATOM 1271 CD LYS B 131 0.603 4.822 -15.628 1.00 12.30 C ATOM 1272 CE LYS B 131 1.524 3.616 -15.843 1.00 42.53 C ATOM 1273 NZ LYS B 131 2.254 3.698 -17.139 1.00 1.32 N ATOM 0 H LYS B 131 -3.052 3.617 -13.999 1.00 71.15 H new ATOM 0 HA LYS B 131 -3.478 6.094 -15.380 1.00 34.23 H new ATOM 0 HB2 LYS B 131 -1.228 6.603 -14.800 1.00 10.22 H new ATOM 0 HB3 LYS B 131 -1.940 5.771 -13.432 1.00 10.22 H new ATOM 0 HG2 LYS B 131 0.172 4.798 -13.494 1.00 20.42 H new ATOM 0 HG3 LYS B 131 -0.754 3.629 -14.413 1.00 20.42 H new ATOM 0 HD2 LYS B 131 0.025 4.994 -16.536 1.00 12.30 H new ATOM 0 HD3 LYS B 131 1.213 5.711 -15.466 1.00 12.30 H new ATOM 0 HE2 LYS B 131 2.242 3.557 -15.025 1.00 42.53 H new ATOM 0 HE3 LYS B 131 0.934 2.700 -15.816 1.00 42.53 H new ATOM 0 HZ1 LYS B 131 2.866 2.864 -17.246 1.00 1.32 H new ATOM 0 HZ2 LYS B 131 1.570 3.728 -17.922 1.00 1.32 H new ATOM 0 HZ3 LYS B 131 2.837 4.559 -17.155 1.00 1.32 H new ATOM 1287 N LEU B 132 -2.177 3.582 -17.069 1.00 13.33 N ATOM 1288 CA LEU B 132 -1.821 3.082 -18.411 1.00 14.44 C ATOM 1289 C LEU B 132 -2.990 3.281 -19.375 1.00 32.43 C ATOM 1290 O LEU B 132 -2.801 3.683 -20.522 1.00 71.52 O ATOM 1291 CB LEU B 132 -1.419 1.584 -18.340 1.00 64.22 C ATOM 1292 CG LEU B 132 -1.023 0.896 -19.685 1.00 43.42 C ATOM 1293 CD1 LEU B 132 0.156 1.610 -20.360 1.00 11.24 C ATOM 1294 CD2 LEU B 132 -0.717 -0.604 -19.488 1.00 44.24 C ATOM 0 H LEU B 132 -2.230 2.850 -16.361 1.00 13.33 H new ATOM 0 HA LEU B 132 -0.967 3.649 -18.782 1.00 14.44 H new ATOM 0 HB2 LEU B 132 -0.580 1.490 -17.651 1.00 64.22 H new ATOM 0 HB3 LEU B 132 -2.251 1.029 -17.907 1.00 64.22 H new ATOM 0 HG LEU B 132 -1.884 0.976 -20.348 1.00 43.42 H new ATOM 0 HD11 LEU B 132 0.403 1.103 -21.293 1.00 11.24 H new ATOM 0 HD12 LEU B 132 -0.117 2.644 -20.570 1.00 11.24 H new ATOM 0 HD13 LEU B 132 1.021 1.591 -19.697 1.00 11.24 H new ATOM 0 HD21 LEU B 132 -0.445 -1.049 -20.445 1.00 44.24 H new ATOM 0 HD22 LEU B 132 0.110 -0.718 -18.787 1.00 44.24 H new ATOM 0 HD23 LEU B 132 -1.600 -1.106 -19.092 1.00 44.24 H new ATOM 1306 N GLN B 133 -4.203 3.026 -18.884 1.00 34.40 N ATOM 1307 CA GLN B 133 -5.425 3.219 -19.667 1.00 72.12 C ATOM 1308 C GLN B 133 -5.756 4.717 -19.785 1.00 23.13 C ATOM 1309 O GLN B 133 -6.508 5.100 -20.663 1.00 51.03 O ATOM 1310 CB GLN B 133 -6.597 2.449 -19.021 1.00 1.33 C ATOM 1311 CG GLN B 133 -6.371 0.941 -18.882 1.00 41.21 C ATOM 1312 CD GLN B 133 -7.457 0.247 -18.063 1.00 30.42 C ATOM 1313 OE1 GLN B 133 -8.449 -0.243 -18.599 1.00 70.34 O ATOM 1314 NE2 GLN B 133 -7.297 0.239 -16.750 1.00 32.11 N ATOM 0 H GLN B 133 -4.367 2.682 -17.938 1.00 34.40 H new ATOM 0 HA GLN B 133 -5.265 2.826 -20.671 1.00 72.12 H new ATOM 0 HB2 GLN B 133 -6.788 2.867 -18.033 1.00 1.33 H new ATOM 0 HB3 GLN B 133 -7.495 2.615 -19.616 1.00 1.33 H new ATOM 0 HG2 GLN B 133 -6.330 0.492 -19.875 1.00 41.21 H new ATOM 0 HG3 GLN B 133 -5.403 0.766 -18.413 1.00 41.21 H new ATOM 0 HE21 GLN B 133 -6.462 0.654 -16.335 1.00 32.11 H new ATOM 0 HE22 GLN B 133 -8.008 -0.182 -16.152 1.00 32.11 H new ATOM 1323 N LEU B 134 -5.217 5.543 -18.858 1.00 55.23 N ATOM 1324 CA LEU B 134 -5.423 7.017 -18.851 1.00 73.04 C ATOM 1325 C LEU B 134 -4.688 7.675 -20.043 1.00 74.53 C ATOM 1326 O LEU B 134 -5.258 8.504 -20.790 1.00 54.01 O ATOM 1327 CB LEU B 134 -4.926 7.612 -17.495 1.00 33.24 C ATOM 1328 CG LEU B 134 -5.459 9.030 -17.118 1.00 23.05 C ATOM 1329 CD1 LEU B 134 -6.973 8.985 -16.846 1.00 63.02 C ATOM 1330 CD2 LEU B 134 -4.688 9.625 -15.916 1.00 55.54 C ATOM 0 H LEU B 134 -4.628 5.211 -18.094 1.00 55.23 H new ATOM 0 HA LEU B 134 -6.487 7.227 -18.957 1.00 73.04 H new ATOM 0 HB2 LEU B 134 -5.202 6.921 -16.698 1.00 33.24 H new ATOM 0 HB3 LEU B 134 -3.837 7.652 -17.519 1.00 33.24 H new ATOM 0 HG LEU B 134 -5.287 9.690 -17.968 1.00 23.05 H new ATOM 0 HD11 LEU B 134 -7.326 9.983 -16.585 1.00 63.02 H new ATOM 0 HD12 LEU B 134 -7.493 8.639 -17.739 1.00 63.02 H new ATOM 0 HD13 LEU B 134 -7.174 8.302 -16.021 1.00 63.02 H new ATOM 0 HD21 LEU B 134 -5.086 10.612 -15.681 1.00 55.54 H new ATOM 0 HD22 LEU B 134 -4.803 8.972 -15.051 1.00 55.54 H new ATOM 0 HD23 LEU B 134 -3.631 9.710 -16.168 1.00 55.54 H new