USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 915 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 25 HIS : no HE2:sc= -0.794 K(o=-0.58,f=-2.1!) USER MOD Set 1.2: A 114 SER OG : rot 66:sc= 0.212 USER MOD Set 2.1: A 64 GLN :FLIP amide:sc= -0.109 F(o=-3.2,f=-2.7) USER MOD Set 2.2: A 94 GLN :FLIP amide:sc= -2.63! C(o=-3.5!,f=-2.7!) USER MOD Set 3.1: A 87 ASN :FLIP amide:sc= -0.974 F(o=-8.9!,f=-6.9) USER MOD Set 3.2: A 90 LYS NZ :NH3+ -147:sc= -5.89! (180deg=-8.4!) USER MOD Set 4.1: A 80 SER OG : rot 180:sc= 0.115 USER MOD Set 4.2: A 84 ASN : amide:sc= -2.43! C(o=-2.3!,f=-3.7!) USER MOD Set 5.1: A 60 HIS : no HD1:sc= -2.71! X(o=-2.7!,f=-2.3) USER MOD Set 5.2: A 73 THR OG1 : rot 160:sc= 0.0193 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 157:sc= -0.0551 (180deg=-0.386) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 ASN : amide:sc= -0.0493 K(o=-0.049,f=-1.1!) USER MOD Single : A 36 THR OG1 : rot -159:sc= 1.43 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN :FLIP amide:sc= 0.618 F(o=-0.71,f=0.62) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 44:sc= 0.552 USER MOD Single : A 54 HIS : no HD1:sc= -1.62! C(o=-1.6!,f=-3.4!) USER MOD Single : A 56 ASN : amide:sc= -0.172 K(o=-0.17,f=-2.3) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 CYS SG : rot 130:sc= -2.46 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.275 USER MOD Single : A 71 CYS SG : rot 24:sc= -4.34! USER MOD Single : A 91 LYS NZ :NH3+ -155:sc= -0.388 (180deg=-1.26) USER MOD Single : A 95 THR OG1 : rot 84:sc= 1.21 USER MOD Single : A 96 THR OG1 : rot 90:sc= 1.04 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -2.41 X(o=-2.4,f=-1.9!) USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.38 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 MET CE :methyl -149:sc= -0.186 (180deg=-1.13) USER MOD Single : A 110 ASN : amide:sc= -0.431 X(o=-0.43,f=-0.76!) USER MOD Single : A 111 SER OG : rot 180:sc= 0.0719 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 120 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HD1:sc= -0.158 X(o=-0.16,f=0) USER MOD Single : A 124 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 93 N ILE A 10 -2.118 7.470 6.716 1.00 0.00 N ATOM 94 CA ILE A 10 -2.061 6.790 5.428 1.00 0.00 C ATOM 95 C ILE A 10 -3.269 7.142 4.567 1.00 0.00 C ATOM 96 O ILE A 10 -4.385 7.280 5.070 1.00 0.00 O ATOM 97 CB ILE A 10 -1.996 5.261 5.601 1.00 0.00 C ATOM 98 CG1 ILE A 10 -0.762 4.870 6.417 1.00 0.00 C ATOM 99 CG2 ILE A 10 -1.980 4.574 4.244 1.00 0.00 C ATOM 100 CD1 ILE A 10 -0.941 3.594 7.209 1.00 0.00 C ATOM 0 HA ILE A 10 -1.152 7.130 4.931 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.884 4.934 6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.087 4.754 5.744 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.517 5.682 7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.934 3.494 4.383 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.886 4.831 3.696 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.108 4.904 3.679 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.027 3.378 7.763 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.769 3.713 7.908 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.156 2.770 6.528 1.00 0.00 H new ATOM 112 N LEU A 11 -3.040 7.284 3.266 1.00 0.00 N ATOM 113 CA LEU A 11 -4.110 7.618 2.333 1.00 0.00 C ATOM 114 C LEU A 11 -4.088 6.689 1.123 1.00 0.00 C ATOM 115 O LEU A 11 -5.135 6.282 0.620 1.00 0.00 O ATOM 116 CB LEU A 11 -3.979 9.072 1.876 1.00 0.00 C ATOM 117 CG LEU A 11 -4.028 10.130 2.979 1.00 0.00 C ATOM 118 CD1 LEU A 11 -3.459 11.449 2.480 1.00 0.00 C ATOM 119 CD2 LEU A 11 -5.455 10.316 3.476 1.00 0.00 C ATOM 0 H LEU A 11 -2.123 7.173 2.834 1.00 0.00 H new ATOM 0 HA LEU A 11 -5.062 7.490 2.849 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.037 9.179 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.777 9.281 1.164 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.416 9.787 3.813 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.502 12.189 3.279 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.423 11.306 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.044 11.799 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.471 11.072 4.261 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.089 10.637 2.650 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.828 9.372 3.874 1.00 0.00 H new ATOM 131 N PHE A 12 -2.887 6.355 0.662 1.00 0.00 N ATOM 132 CA PHE A 12 -2.727 5.473 -0.487 1.00 0.00 C ATOM 133 C PHE A 12 -2.116 4.139 -0.069 1.00 0.00 C ATOM 134 O PHE A 12 -1.127 4.100 0.662 1.00 0.00 O ATOM 135 CB PHE A 12 -1.850 6.138 -1.550 1.00 0.00 C ATOM 136 CG PHE A 12 -1.917 5.464 -2.891 1.00 0.00 C ATOM 137 CD1 PHE A 12 -1.040 4.440 -3.211 1.00 0.00 C ATOM 138 CD2 PHE A 12 -2.857 5.854 -3.831 1.00 0.00 C ATOM 139 CE1 PHE A 12 -1.099 3.818 -4.444 1.00 0.00 C ATOM 140 CE2 PHE A 12 -2.921 5.235 -5.065 1.00 0.00 C ATOM 141 CZ PHE A 12 -2.041 4.216 -5.372 1.00 0.00 C ATOM 0 H PHE A 12 -2.010 6.682 1.067 1.00 0.00 H new ATOM 0 HA PHE A 12 -3.715 5.284 -0.907 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -2.153 7.179 -1.660 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.816 6.142 -1.206 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -0.302 4.124 -2.489 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -3.548 6.651 -3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -0.409 3.022 -4.681 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.659 5.548 -5.789 1.00 0.00 H new ATOM 0 HZ PHE A 12 -2.089 3.731 -6.336 1.00 0.00 H new ATOM 151 N ALA A 13 -2.713 3.048 -0.537 1.00 0.00 N ATOM 152 CA ALA A 13 -2.227 1.713 -0.213 1.00 0.00 C ATOM 153 C ALA A 13 -2.752 0.681 -1.206 1.00 0.00 C ATOM 154 O ALA A 13 -3.959 0.460 -1.306 1.00 0.00 O ATOM 155 CB ALA A 13 -2.628 1.335 1.205 1.00 0.00 C ATOM 0 H ALA A 13 -3.534 3.063 -1.142 1.00 0.00 H new ATOM 0 HA ALA A 13 -1.139 1.723 -0.281 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.258 0.335 1.433 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -2.199 2.050 1.907 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.714 1.349 1.292 1.00 0.00 H new ATOM 161 N VAL A 14 -1.838 0.054 -1.940 1.00 0.00 N ATOM 162 CA VAL A 14 -2.210 -0.955 -2.925 1.00 0.00 C ATOM 163 C VAL A 14 -1.226 -2.120 -2.917 1.00 0.00 C ATOM 164 O VAL A 14 -0.072 -1.969 -2.516 1.00 0.00 O ATOM 165 CB VAL A 14 -2.269 -0.358 -4.344 1.00 0.00 C ATOM 166 CG1 VAL A 14 -3.164 0.872 -4.369 1.00 0.00 C ATOM 167 CG2 VAL A 14 -0.871 -0.020 -4.839 1.00 0.00 C ATOM 0 H VAL A 14 -0.835 0.227 -1.871 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.200 -1.317 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.697 -1.103 -5.015 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -3.193 1.280 -5.379 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.172 0.595 -4.060 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.769 1.624 -3.686 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.932 0.400 -5.843 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.413 0.707 -4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.264 -0.925 -4.861 1.00 0.00 H new ATOM 177 N VAL A 15 -1.691 -3.282 -3.363 1.00 0.00 N ATOM 178 CA VAL A 15 -0.852 -4.474 -3.408 1.00 0.00 C ATOM 179 C VAL A 15 -0.599 -4.913 -4.846 1.00 0.00 C ATOM 180 O VAL A 15 -1.521 -5.314 -5.556 1.00 0.00 O ATOM 181 CB VAL A 15 -1.492 -5.641 -2.633 1.00 0.00 C ATOM 182 CG1 VAL A 15 -0.677 -6.912 -2.812 1.00 0.00 C ATOM 183 CG2 VAL A 15 -1.629 -5.289 -1.159 1.00 0.00 C ATOM 0 H VAL A 15 -2.644 -3.424 -3.698 1.00 0.00 H new ATOM 0 HA VAL A 15 0.096 -4.212 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 15 -2.489 -5.818 -3.036 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -1.145 -7.725 -2.257 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -0.635 -7.171 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.334 -6.752 -2.437 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.083 -6.124 -0.626 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -0.644 -5.084 -0.741 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.259 -4.406 -1.053 1.00 0.00 H new ATOM 193 N ALA A 16 0.659 -4.834 -5.270 1.00 0.00 N ATOM 194 CA ALA A 16 1.035 -5.226 -6.623 1.00 0.00 C ATOM 195 C ALA A 16 2.337 -6.018 -6.623 1.00 0.00 C ATOM 196 O ALA A 16 3.311 -5.630 -5.977 1.00 0.00 O ATOM 197 CB ALA A 16 1.162 -3.997 -7.511 1.00 0.00 C ATOM 0 H ALA A 16 1.434 -4.502 -4.696 1.00 0.00 H new ATOM 0 HA ALA A 16 0.250 -5.869 -7.021 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.443 -4.304 -8.518 1.00 0.00 H new ATOM 0 HB2 ALA A 16 0.207 -3.472 -7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 16 1.927 -3.334 -7.107 1.00 0.00 H new ATOM 203 N ARG A 17 2.348 -7.131 -7.349 1.00 0.00 N ATOM 204 CA ARG A 17 3.531 -7.979 -7.431 1.00 0.00 C ATOM 205 C ARG A 17 4.479 -7.486 -8.520 1.00 0.00 C ATOM 206 O ARG A 17 4.323 -7.823 -9.693 1.00 0.00 O ATOM 207 CB ARG A 17 3.127 -9.428 -7.710 1.00 0.00 C ATOM 208 CG ARG A 17 2.357 -9.607 -9.008 1.00 0.00 C ATOM 209 CD ARG A 17 1.429 -10.810 -8.944 1.00 0.00 C ATOM 210 NE ARG A 17 0.492 -10.839 -10.064 1.00 0.00 N ATOM 211 CZ ARG A 17 0.828 -11.217 -11.293 1.00 0.00 C ATOM 212 NH1 ARG A 17 2.070 -11.597 -11.557 1.00 0.00 N ATOM 213 NH2 ARG A 17 -0.081 -11.217 -12.260 1.00 0.00 N ATOM 0 H ARG A 17 1.551 -7.467 -7.889 1.00 0.00 H new ATOM 0 HA ARG A 17 4.049 -7.931 -6.473 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.024 -10.047 -7.741 1.00 0.00 H new ATOM 0 HB3 ARG A 17 2.518 -9.792 -6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 17 1.776 -8.708 -9.214 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.058 -9.730 -9.834 1.00 0.00 H new ATOM 0 HD2 ARG A 17 2.021 -11.725 -8.943 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.873 -10.789 -8.007 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.472 -10.554 -9.894 1.00 0.00 H new ATOM 0 HH11 ARG A 17 2.771 -11.600 -10.816 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.325 -11.887 -12.501 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -1.038 -10.927 -12.060 1.00 0.00 H new ATOM 0 HH22 ARG A 17 0.178 -11.507 -13.203 1.00 0.00 H new ATOM 227 N GLY A 18 5.463 -6.684 -8.122 1.00 0.00 N ATOM 228 CA GLY A 18 6.421 -6.157 -9.076 1.00 0.00 C ATOM 229 C GLY A 18 5.881 -4.966 -9.842 1.00 0.00 C ATOM 230 O GLY A 18 6.084 -3.818 -9.445 1.00 0.00 O ATOM 0 H GLY A 18 5.613 -6.390 -7.157 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.330 -5.865 -8.550 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.698 -6.942 -9.779 1.00 0.00 H new ATOM 234 N THR A 19 5.193 -5.237 -10.947 1.00 0.00 N ATOM 235 CA THR A 19 4.625 -4.179 -11.772 1.00 0.00 C ATOM 236 C THR A 19 3.133 -4.400 -12.000 1.00 0.00 C ATOM 237 O THR A 19 2.416 -3.488 -12.412 1.00 0.00 O ATOM 238 CB THR A 19 5.333 -4.091 -13.137 1.00 0.00 C ATOM 239 OG1 THR A 19 5.812 -5.383 -13.525 1.00 0.00 O ATOM 240 CG2 THR A 19 6.493 -3.109 -13.082 1.00 0.00 C ATOM 0 H THR A 19 5.016 -6.181 -11.291 1.00 0.00 H new ATOM 0 HA THR A 19 4.773 -3.244 -11.232 1.00 0.00 H new ATOM 0 HB THR A 19 4.612 -3.736 -13.873 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.259 -5.318 -14.395 1.00 0.00 H new ATOM 0 HG21 THR A 19 6.978 -3.064 -14.057 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.120 -2.120 -12.816 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.214 -3.439 -12.334 1.00 0.00 H new ATOM 248 N THR A 20 2.672 -5.617 -11.728 1.00 0.00 N ATOM 249 CA THR A 20 1.265 -5.957 -11.903 1.00 0.00 C ATOM 250 C THR A 20 0.470 -5.678 -10.633 1.00 0.00 C ATOM 251 O THR A 20 0.794 -6.189 -9.561 1.00 0.00 O ATOM 252 CB THR A 20 1.090 -7.438 -12.289 1.00 0.00 C ATOM 253 OG1 THR A 20 1.801 -7.716 -13.501 1.00 0.00 O ATOM 254 CG2 THR A 20 -0.381 -7.780 -12.470 1.00 0.00 C ATOM 0 H THR A 20 3.252 -6.383 -11.386 1.00 0.00 H new ATOM 0 HA THR A 20 0.886 -5.331 -12.711 1.00 0.00 H new ATOM 0 HB THR A 20 1.493 -8.050 -11.482 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.686 -8.660 -13.739 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.479 -8.831 -12.742 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.915 -7.595 -11.538 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.804 -7.159 -13.260 1.00 0.00 H new ATOM 262 N ILE A 21 -0.573 -4.864 -10.761 1.00 0.00 N ATOM 263 CA ILE A 21 -1.416 -4.519 -9.623 1.00 0.00 C ATOM 264 C ILE A 21 -2.602 -5.471 -9.509 1.00 0.00 C ATOM 265 O ILE A 21 -3.380 -5.627 -10.451 1.00 0.00 O ATOM 266 CB ILE A 21 -1.940 -3.074 -9.728 1.00 0.00 C ATOM 267 CG1 ILE A 21 -0.778 -2.102 -9.941 1.00 0.00 C ATOM 268 CG2 ILE A 21 -2.726 -2.704 -8.480 1.00 0.00 C ATOM 269 CD1 ILE A 21 -1.218 -0.714 -10.352 1.00 0.00 C ATOM 0 H ILE A 21 -0.854 -4.432 -11.641 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.795 -4.608 -8.732 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.608 -3.006 -10.587 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -0.199 -2.033 -9.020 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -0.114 -2.505 -10.705 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -3.090 -1.680 -8.569 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -3.573 -3.381 -8.369 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -2.080 -2.785 -7.606 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.342 -0.079 -10.485 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -1.771 -0.770 -11.290 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -1.858 -0.291 -9.578 1.00 0.00 H new ATOM 281 N LEU A 22 -2.736 -6.103 -8.349 1.00 0.00 N ATOM 282 CA LEU A 22 -3.829 -7.039 -8.109 1.00 0.00 C ATOM 283 C LEU A 22 -5.059 -6.314 -7.572 1.00 0.00 C ATOM 284 O LEU A 22 -6.112 -6.303 -8.209 1.00 0.00 O ATOM 285 CB LEU A 22 -3.391 -8.124 -7.123 1.00 0.00 C ATOM 286 CG LEU A 22 -2.412 -9.167 -7.663 1.00 0.00 C ATOM 287 CD1 LEU A 22 -1.675 -9.849 -6.521 1.00 0.00 C ATOM 288 CD2 LEU A 22 -3.144 -10.193 -8.517 1.00 0.00 C ATOM 0 H LEU A 22 -2.101 -5.985 -7.559 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.091 -7.505 -9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.935 -7.639 -6.260 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.281 -8.642 -6.765 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.678 -8.659 -8.289 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -0.983 -10.588 -6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -1.119 -9.105 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.394 -10.344 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.432 -10.928 -8.893 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.900 -10.696 -7.914 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.625 -9.691 -9.356 1.00 0.00 H new ATOM 300 N ALA A 23 -4.916 -5.708 -6.398 1.00 0.00 N ATOM 301 CA ALA A 23 -6.014 -4.977 -5.777 1.00 0.00 C ATOM 302 C ALA A 23 -5.550 -3.615 -5.272 1.00 0.00 C ATOM 303 O ALA A 23 -4.680 -3.526 -4.406 1.00 0.00 O ATOM 304 CB ALA A 23 -6.612 -5.789 -4.638 1.00 0.00 C ATOM 0 H ALA A 23 -4.051 -5.709 -5.858 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.782 -4.813 -6.533 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -7.431 -5.231 -4.184 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -6.989 -6.736 -5.025 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -5.845 -5.983 -3.888 1.00 0.00 H new ATOM 310 N LYS A 24 -6.136 -2.555 -5.819 1.00 0.00 N ATOM 311 CA LYS A 24 -5.784 -1.197 -5.424 1.00 0.00 C ATOM 312 C LYS A 24 -7.012 -0.438 -4.930 1.00 0.00 C ATOM 313 O LYS A 24 -8.099 -0.561 -5.497 1.00 0.00 O ATOM 314 CB LYS A 24 -5.149 -0.450 -6.599 1.00 0.00 C ATOM 315 CG LYS A 24 -5.995 -0.469 -7.860 1.00 0.00 C ATOM 316 CD LYS A 24 -5.656 0.695 -8.777 1.00 0.00 C ATOM 317 CE LYS A 24 -6.785 0.982 -9.754 1.00 0.00 C ATOM 318 NZ LYS A 24 -7.995 1.509 -9.064 1.00 0.00 N ATOM 0 H LYS A 24 -6.858 -2.611 -6.538 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.064 -1.258 -4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -4.970 0.585 -6.307 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -4.177 -0.892 -6.817 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -5.838 -1.408 -8.390 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -7.051 -0.426 -7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.456 1.584 -8.179 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -4.744 0.471 -9.329 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -6.447 1.704 -10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -7.042 0.069 -10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -8.575 2.045 -9.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -8.550 0.716 -8.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -7.706 2.134 -8.285 1.00 0.00 H new ATOM 332 N HIS A 25 -6.832 0.347 -3.873 1.00 0.00 N ATOM 333 CA HIS A 25 -7.925 1.127 -3.305 1.00 0.00 C ATOM 334 C HIS A 25 -7.390 2.317 -2.513 1.00 0.00 C ATOM 335 O HIS A 25 -6.836 2.152 -1.426 1.00 0.00 O ATOM 336 CB HIS A 25 -8.792 0.248 -2.403 1.00 0.00 C ATOM 337 CG HIS A 25 -9.964 0.970 -1.811 1.00 0.00 C ATOM 338 ND1 HIS A 25 -11.151 1.160 -2.486 1.00 0.00 N ATOM 339 CD2 HIS A 25 -10.126 1.547 -0.597 1.00 0.00 C ATOM 340 CE1 HIS A 25 -11.992 1.825 -1.715 1.00 0.00 C ATOM 341 NE2 HIS A 25 -11.395 2.072 -0.563 1.00 0.00 N ATOM 0 H HIS A 25 -5.939 0.460 -3.392 1.00 0.00 H new ATOM 0 HA HIS A 25 -8.534 1.504 -4.127 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -9.154 -0.604 -2.979 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -8.176 -0.150 -1.597 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -11.349 0.837 -3.433 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -9.394 1.587 0.196 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -12.997 2.117 -1.981 1.00 0.00 H new ATOM 350 N ALA A 26 -7.558 3.513 -3.066 1.00 0.00 N ATOM 351 CA ALA A 26 -7.093 4.730 -2.411 1.00 0.00 C ATOM 352 C ALA A 26 -8.240 5.709 -2.194 1.00 0.00 C ATOM 353 O ALA A 26 -9.318 5.555 -2.768 1.00 0.00 O ATOM 354 CB ALA A 26 -5.988 5.381 -3.230 1.00 0.00 C ATOM 0 H ALA A 26 -8.013 3.666 -3.966 1.00 0.00 H new ATOM 0 HA ALA A 26 -6.693 4.457 -1.434 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.650 6.288 -2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.152 4.688 -3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -6.369 5.633 -4.220 1.00 0.00 H new ATOM 360 N TRP A 27 -8.003 6.716 -1.361 1.00 0.00 N ATOM 361 CA TRP A 27 -9.018 7.721 -1.067 1.00 0.00 C ATOM 362 C TRP A 27 -9.235 8.641 -2.263 1.00 0.00 C ATOM 363 O TRP A 27 -8.335 8.834 -3.081 1.00 0.00 O ATOM 364 CB TRP A 27 -8.613 8.543 0.158 1.00 0.00 C ATOM 365 CG TRP A 27 -8.965 7.885 1.458 1.00 0.00 C ATOM 366 CD1 TRP A 27 -8.414 6.748 1.976 1.00 0.00 C ATOM 367 CD2 TRP A 27 -9.947 8.323 2.402 1.00 0.00 C ATOM 368 NE1 TRP A 27 -8.995 6.453 3.186 1.00 0.00 N ATOM 369 CE2 TRP A 27 -9.938 7.405 3.470 1.00 0.00 C ATOM 370 CE3 TRP A 27 -10.833 9.403 2.450 1.00 0.00 C ATOM 371 CZ2 TRP A 27 -10.781 7.535 4.570 1.00 0.00 C ATOM 372 CZ3 TRP A 27 -11.669 9.531 3.543 1.00 0.00 C ATOM 373 CH2 TRP A 27 -11.638 8.602 4.591 1.00 0.00 C ATOM 0 H TRP A 27 -7.116 6.858 -0.877 1.00 0.00 H new ATOM 0 HA TRP A 27 -9.954 7.204 -0.855 1.00 0.00 H new ATOM 0 HB2 TRP A 27 -7.538 8.720 0.128 1.00 0.00 H new ATOM 0 HB3 TRP A 27 -9.098 9.518 0.109 1.00 0.00 H new ATOM 0 HD1 TRP A 27 -7.636 6.166 1.504 1.00 0.00 H new ATOM 0 HE1 TRP A 27 -8.762 5.655 3.777 1.00 0.00 H new ATOM 0 HE3 TRP A 27 -10.864 10.125 1.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 -10.760 6.819 5.378 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 -12.358 10.361 3.590 1.00 0.00 H new ATOM 0 HH2 TRP A 27 -12.303 8.730 5.432 1.00 0.00 H new ATOM 384 N CYS A 28 -10.433 9.207 -2.359 1.00 0.00 N ATOM 385 CA CYS A 28 -10.768 10.108 -3.456 1.00 0.00 C ATOM 386 C CYS A 28 -10.101 11.466 -3.267 1.00 0.00 C ATOM 387 O CYS A 28 -10.286 12.123 -2.244 1.00 0.00 O ATOM 388 CB CYS A 28 -12.284 10.280 -3.558 1.00 0.00 C ATOM 389 SG CYS A 28 -13.124 8.930 -4.420 1.00 0.00 S ATOM 0 H CYS A 28 -11.189 9.058 -1.690 1.00 0.00 H new ATOM 0 HA CYS A 28 -10.397 9.667 -4.381 1.00 0.00 H new ATOM 0 HB2 CYS A 28 -12.697 10.368 -2.553 1.00 0.00 H new ATOM 0 HB3 CYS A 28 -12.499 11.216 -4.074 1.00 0.00 H new ATOM 0 HG CYS A 28 -14.402 9.165 -4.453 1.00 0.00 H new ATOM 395 N GLY A 29 -9.323 11.882 -4.262 1.00 0.00 N ATOM 396 CA GLY A 29 -8.639 13.159 -4.185 1.00 0.00 C ATOM 397 C GLY A 29 -7.138 13.005 -4.039 1.00 0.00 C ATOM 398 O GLY A 29 -6.626 12.871 -2.928 1.00 0.00 O ATOM 0 H GLY A 29 -9.155 11.357 -5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.856 13.739 -5.082 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -9.027 13.725 -3.338 1.00 0.00 H new ATOM 402 N GLY A 30 -6.430 13.023 -5.164 1.00 0.00 N ATOM 403 CA GLY A 30 -4.986 12.881 -5.135 1.00 0.00 C ATOM 404 C GLY A 30 -4.489 11.804 -6.078 1.00 0.00 C ATOM 405 O GLY A 30 -4.568 10.616 -5.770 1.00 0.00 O ATOM 0 H GLY A 30 -6.831 13.133 -6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.525 13.833 -5.401 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.668 12.645 -4.120 1.00 0.00 H new ATOM 409 N ASN A 31 -3.978 12.220 -7.232 1.00 0.00 N ATOM 410 CA ASN A 31 -3.469 11.281 -8.226 1.00 0.00 C ATOM 411 C ASN A 31 -2.156 10.659 -7.763 1.00 0.00 C ATOM 412 O ASN A 31 -1.075 11.159 -8.075 1.00 0.00 O ATOM 413 CB ASN A 31 -3.267 11.987 -9.568 1.00 0.00 C ATOM 414 CG ASN A 31 -3.074 11.010 -10.712 1.00 0.00 C ATOM 415 OD1 ASN A 31 -3.597 9.895 -10.685 1.00 0.00 O ATOM 416 ND2 ASN A 31 -2.321 11.424 -11.723 1.00 0.00 N ATOM 0 H ASN A 31 -3.905 13.201 -7.502 1.00 0.00 H new ATOM 0 HA ASN A 31 -4.204 10.486 -8.349 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -4.130 12.620 -9.776 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -2.399 12.643 -9.503 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -2.156 10.810 -12.521 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -1.908 12.356 -11.703 1.00 0.00 H new ATOM 423 N PHE A 32 -2.257 9.564 -7.017 1.00 0.00 N ATOM 424 CA PHE A 32 -1.077 8.872 -6.510 1.00 0.00 C ATOM 425 C PHE A 32 -0.777 7.628 -7.341 1.00 0.00 C ATOM 426 O PHE A 32 0.375 7.208 -7.458 1.00 0.00 O ATOM 427 CB PHE A 32 -1.277 8.485 -5.044 1.00 0.00 C ATOM 428 CG PHE A 32 -0.916 9.578 -4.080 1.00 0.00 C ATOM 429 CD1 PHE A 32 0.279 10.267 -4.210 1.00 0.00 C ATOM 430 CD2 PHE A 32 -1.771 9.917 -3.044 1.00 0.00 C ATOM 431 CE1 PHE A 32 0.615 11.274 -3.324 1.00 0.00 C ATOM 432 CE2 PHE A 32 -1.441 10.923 -2.154 1.00 0.00 C ATOM 433 CZ PHE A 32 -0.247 11.603 -2.296 1.00 0.00 C ATOM 0 H PHE A 32 -3.144 9.136 -6.750 1.00 0.00 H new ATOM 0 HA PHE A 32 -0.228 9.551 -6.586 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.319 8.205 -4.890 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.674 7.604 -4.824 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.956 10.015 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -2.706 9.389 -2.930 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.550 11.803 -3.436 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.116 11.176 -1.350 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.012 12.391 -1.604 1.00 0.00 H new ATOM 443 N LEU A 33 -1.822 7.041 -7.914 1.00 0.00 N ATOM 444 CA LEU A 33 -1.673 5.844 -8.734 1.00 0.00 C ATOM 445 C LEU A 33 -0.574 6.030 -9.775 1.00 0.00 C ATOM 446 O LEU A 33 0.088 5.071 -10.170 1.00 0.00 O ATOM 447 CB LEU A 33 -2.995 5.507 -9.426 1.00 0.00 C ATOM 448 CG LEU A 33 -3.143 4.071 -9.927 1.00 0.00 C ATOM 449 CD1 LEU A 33 -3.095 3.092 -8.765 1.00 0.00 C ATOM 450 CD2 LEU A 33 -4.439 3.910 -10.709 1.00 0.00 C ATOM 0 H LEU A 33 -2.782 7.375 -7.826 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.392 5.019 -8.080 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -3.809 5.714 -8.731 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.121 6.181 -10.273 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.309 3.852 -10.594 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.202 2.075 -9.142 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.141 3.189 -8.247 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -3.908 3.310 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.528 2.881 -11.058 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.285 4.149 -10.064 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.434 4.585 -11.565 1.00 0.00 H new ATOM 462 N GLU A 34 -0.385 7.271 -10.213 1.00 0.00 N ATOM 463 CA GLU A 34 0.636 7.583 -11.207 1.00 0.00 C ATOM 464 C GLU A 34 2.035 7.392 -10.629 1.00 0.00 C ATOM 465 O GLU A 34 2.788 6.523 -11.068 1.00 0.00 O ATOM 466 CB GLU A 34 0.470 9.019 -11.708 1.00 0.00 C ATOM 467 CG GLU A 34 1.002 9.238 -13.114 1.00 0.00 C ATOM 468 CD GLU A 34 0.340 10.411 -13.812 1.00 0.00 C ATOM 469 OE1 GLU A 34 0.193 11.475 -13.175 1.00 0.00 O ATOM 470 OE2 GLU A 34 -0.030 10.264 -14.995 1.00 0.00 O ATOM 0 H GLU A 34 -0.925 8.076 -9.896 1.00 0.00 H new ATOM 0 HA GLU A 34 0.512 6.897 -12.045 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.587 9.284 -11.683 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.984 9.695 -11.025 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.078 9.407 -13.069 1.00 0.00 H new ATOM 0 HG3 GLU A 34 0.845 8.334 -13.703 1.00 0.00 H new ATOM 477 N VAL A 35 2.377 8.212 -9.640 1.00 0.00 N ATOM 478 CA VAL A 35 3.685 8.135 -9.000 1.00 0.00 C ATOM 479 C VAL A 35 3.945 6.738 -8.448 1.00 0.00 C ATOM 480 O VAL A 35 5.080 6.261 -8.443 1.00 0.00 O ATOM 481 CB VAL A 35 3.811 9.159 -7.857 1.00 0.00 C ATOM 482 CG1 VAL A 35 3.202 8.608 -6.576 1.00 0.00 C ATOM 483 CG2 VAL A 35 5.269 9.539 -7.642 1.00 0.00 C ATOM 0 H VAL A 35 1.766 8.937 -9.265 1.00 0.00 H new ATOM 0 HA VAL A 35 4.427 8.363 -9.766 1.00 0.00 H new ATOM 0 HB VAL A 35 3.261 10.058 -8.135 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.301 9.346 -5.780 1.00 0.00 H new ATOM 0 HG12 VAL A 35 2.147 8.389 -6.740 1.00 0.00 H new ATOM 0 HG13 VAL A 35 3.722 7.694 -6.290 1.00 0.00 H new ATOM 0 HG21 VAL A 35 5.340 10.263 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.843 8.649 -7.385 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.669 9.977 -8.556 1.00 0.00 H new ATOM 493 N THR A 36 2.884 6.084 -7.983 1.00 0.00 N ATOM 494 CA THR A 36 2.997 4.742 -7.427 1.00 0.00 C ATOM 495 C THR A 36 3.465 3.747 -8.484 1.00 0.00 C ATOM 496 O THR A 36 4.515 3.123 -8.338 1.00 0.00 O ATOM 497 CB THR A 36 1.655 4.260 -6.845 1.00 0.00 C ATOM 498 OG1 THR A 36 1.286 5.075 -5.726 1.00 0.00 O ATOM 499 CG2 THR A 36 1.744 2.805 -6.411 1.00 0.00 C ATOM 0 H THR A 36 1.937 6.463 -7.981 1.00 0.00 H new ATOM 0 HA THR A 36 3.735 4.793 -6.626 1.00 0.00 H new ATOM 0 HB THR A 36 0.896 4.344 -7.623 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.645 4.590 -5.166 1.00 0.00 H new ATOM 0 HG21 THR A 36 0.784 2.488 -6.003 1.00 0.00 H new ATOM 0 HG22 THR A 36 1.997 2.184 -7.270 1.00 0.00 H new ATOM 0 HG23 THR A 36 2.515 2.699 -5.648 1.00 0.00 H new ATOM 507 N GLU A 37 2.680 3.606 -9.547 1.00 0.00 N ATOM 508 CA GLU A 37 3.016 2.687 -10.627 1.00 0.00 C ATOM 509 C GLU A 37 4.465 2.871 -11.068 1.00 0.00 C ATOM 510 O GLU A 37 5.212 1.902 -11.200 1.00 0.00 O ATOM 511 CB GLU A 37 2.078 2.899 -11.818 1.00 0.00 C ATOM 512 CG GLU A 37 0.689 2.319 -11.610 1.00 0.00 C ATOM 513 CD GLU A 37 0.039 1.881 -12.908 1.00 0.00 C ATOM 514 OE1 GLU A 37 0.303 2.519 -13.949 1.00 0.00 O ATOM 515 OE2 GLU A 37 -0.733 0.900 -12.883 1.00 0.00 O ATOM 0 H GLU A 37 1.807 4.116 -9.683 1.00 0.00 H new ATOM 0 HA GLU A 37 2.894 1.670 -10.254 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.991 3.967 -12.015 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.522 2.447 -12.705 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.753 1.466 -10.934 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.058 3.063 -11.125 1.00 0.00 H new ATOM 522 N GLN A 38 4.854 4.122 -11.294 1.00 0.00 N ATOM 523 CA GLN A 38 6.212 4.434 -11.721 1.00 0.00 C ATOM 524 C GLN A 38 7.236 3.825 -10.768 1.00 0.00 C ATOM 525 O GLN A 38 8.186 3.171 -11.198 1.00 0.00 O ATOM 526 CB GLN A 38 6.410 5.948 -11.801 1.00 0.00 C ATOM 527 CG GLN A 38 5.608 6.609 -12.911 1.00 0.00 C ATOM 528 CD GLN A 38 6.122 7.992 -13.258 1.00 0.00 C ATOM 529 OE1 GLN A 38 6.775 8.647 -12.445 1.00 0.00 O ATOM 530 NE2 GLN A 38 5.829 8.445 -14.472 1.00 0.00 N ATOM 0 H GLN A 38 4.248 4.935 -11.188 1.00 0.00 H new ATOM 0 HA GLN A 38 6.362 4.003 -12.711 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.129 6.394 -10.847 1.00 0.00 H new ATOM 0 HB3 GLN A 38 7.468 6.160 -11.953 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.639 5.980 -13.801 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.564 6.679 -12.607 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.285 7.868 -15.114 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.148 9.369 -14.762 1.00 0.00 H new ATOM 539 N ILE A 39 7.035 4.045 -9.473 1.00 0.00 N ATOM 540 CA ILE A 39 7.940 3.517 -8.460 1.00 0.00 C ATOM 541 C ILE A 39 7.973 1.993 -8.492 1.00 0.00 C ATOM 542 O ILE A 39 9.040 1.383 -8.425 1.00 0.00 O ATOM 543 CB ILE A 39 7.536 3.981 -7.048 1.00 0.00 C ATOM 544 CG1 ILE A 39 7.648 5.503 -6.936 1.00 0.00 C ATOM 545 CG2 ILE A 39 8.403 3.302 -5.999 1.00 0.00 C ATOM 546 CD1 ILE A 39 9.075 6.004 -6.909 1.00 0.00 C ATOM 0 H ILE A 39 6.254 4.585 -9.101 1.00 0.00 H new ATOM 0 HA ILE A 39 8.932 3.904 -8.691 1.00 0.00 H new ATOM 0 HB ILE A 39 6.498 3.698 -6.872 1.00 0.00 H new ATOM 0 HG12 ILE A 39 7.127 5.960 -7.777 1.00 0.00 H new ATOM 0 HG13 ILE A 39 7.139 5.831 -6.029 1.00 0.00 H new ATOM 0 HG21 ILE A 39 8.105 3.640 -5.006 1.00 0.00 H new ATOM 0 HG22 ILE A 39 8.277 2.221 -6.067 1.00 0.00 H new ATOM 0 HG23 ILE A 39 9.449 3.557 -6.171 1.00 0.00 H new ATOM 0 HD11 ILE A 39 9.078 7.091 -6.828 1.00 0.00 H new ATOM 0 HD12 ILE A 39 9.595 5.575 -6.052 1.00 0.00 H new ATOM 0 HD13 ILE A 39 9.582 5.707 -7.827 1.00 0.00 H new ATOM 558 N LEU A 40 6.797 1.384 -8.596 1.00 0.00 N ATOM 559 CA LEU A 40 6.690 -0.070 -8.639 1.00 0.00 C ATOM 560 C LEU A 40 7.596 -0.651 -9.721 1.00 0.00 C ATOM 561 O LEU A 40 8.312 -1.624 -9.488 1.00 0.00 O ATOM 562 CB LEU A 40 5.240 -0.488 -8.894 1.00 0.00 C ATOM 563 CG LEU A 40 4.282 -0.340 -7.711 1.00 0.00 C ATOM 564 CD1 LEU A 40 2.849 -0.595 -8.151 1.00 0.00 C ATOM 565 CD2 LEU A 40 4.673 -1.288 -6.587 1.00 0.00 C ATOM 0 H LEU A 40 5.904 1.874 -8.652 1.00 0.00 H new ATOM 0 HA LEU A 40 7.010 -0.461 -7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.853 0.102 -9.725 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.234 -1.530 -9.213 1.00 0.00 H new ATOM 0 HG LEU A 40 4.350 0.682 -7.338 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.181 -0.485 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.572 0.123 -8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.765 -1.606 -8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.981 -1.169 -5.753 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.634 -2.316 -6.948 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.685 -1.059 -6.253 1.00 0.00 H new ATOM 577 N ALA A 41 7.559 -0.046 -10.903 1.00 0.00 N ATOM 578 CA ALA A 41 8.380 -0.500 -12.019 1.00 0.00 C ATOM 579 C ALA A 41 9.861 -0.266 -11.743 1.00 0.00 C ATOM 580 O ALA A 41 10.721 -0.673 -12.524 1.00 0.00 O ATOM 581 CB ALA A 41 7.962 0.205 -13.302 1.00 0.00 C ATOM 0 H ALA A 41 6.970 0.760 -11.113 1.00 0.00 H new ATOM 0 HA ALA A 41 8.225 -1.572 -12.139 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.583 -0.143 -14.127 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.917 -0.018 -13.515 1.00 0.00 H new ATOM 0 HB3 ALA A 41 8.087 1.281 -13.183 1.00 0.00 H new ATOM 587 N LYS A 42 10.153 0.394 -10.627 1.00 0.00 N ATOM 588 CA LYS A 42 11.530 0.682 -10.246 1.00 0.00 C ATOM 589 C LYS A 42 12.010 -0.283 -9.167 1.00 0.00 C ATOM 590 O LYS A 42 13.191 -0.628 -9.110 1.00 0.00 O ATOM 591 CB LYS A 42 11.652 2.124 -9.746 1.00 0.00 C ATOM 592 CG LYS A 42 12.673 2.298 -8.635 1.00 0.00 C ATOM 593 CD LYS A 42 12.029 2.190 -7.263 1.00 0.00 C ATOM 594 CE LYS A 42 12.914 2.792 -6.183 1.00 0.00 C ATOM 595 NZ LYS A 42 13.841 1.783 -5.600 1.00 0.00 N ATOM 0 H LYS A 42 9.453 0.740 -9.970 1.00 0.00 H new ATOM 0 HA LYS A 42 12.158 0.555 -11.128 1.00 0.00 H new ATOM 0 HB2 LYS A 42 11.924 2.768 -10.582 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.678 2.460 -9.389 1.00 0.00 H new ATOM 0 HG2 LYS A 42 13.451 1.541 -8.733 1.00 0.00 H new ATOM 0 HG3 LYS A 42 13.158 3.269 -8.735 1.00 0.00 H new ATOM 0 HD2 LYS A 42 11.065 2.699 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 42 11.834 1.143 -7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 42 13.491 3.615 -6.604 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.290 3.211 -5.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 14.427 2.232 -4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 13.290 1.009 -5.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.454 1.402 -6.348 1.00 0.00 H new ATOM 609 N ILE A 43 11.087 -0.717 -8.315 1.00 0.00 N ATOM 610 CA ILE A 43 11.417 -1.644 -7.240 1.00 0.00 C ATOM 611 C ILE A 43 11.444 -3.083 -7.745 1.00 0.00 C ATOM 612 O ILE A 43 10.531 -3.545 -8.429 1.00 0.00 O ATOM 613 CB ILE A 43 10.412 -1.539 -6.078 1.00 0.00 C ATOM 614 CG1 ILE A 43 10.143 -0.072 -5.738 1.00 0.00 C ATOM 615 CG2 ILE A 43 10.933 -2.283 -4.857 1.00 0.00 C ATOM 616 CD1 ILE A 43 9.008 0.124 -4.758 1.00 0.00 C ATOM 0 H ILE A 43 10.105 -0.442 -8.349 1.00 0.00 H new ATOM 0 HA ILE A 43 12.408 -1.369 -6.879 1.00 0.00 H new ATOM 0 HB ILE A 43 9.474 -1.999 -6.387 1.00 0.00 H new ATOM 0 HG12 ILE A 43 11.050 0.368 -5.324 1.00 0.00 H new ATOM 0 HG13 ILE A 43 9.917 0.470 -6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 43 10.211 -2.199 -4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 43 11.079 -3.334 -5.106 1.00 0.00 H new ATOM 0 HG23 ILE A 43 11.883 -1.849 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 43 8.875 1.188 -4.564 1.00 0.00 H new ATOM 0 HD12 ILE A 43 8.090 -0.286 -5.178 1.00 0.00 H new ATOM 0 HD13 ILE A 43 9.241 -0.389 -3.825 1.00 0.00 H new ATOM 628 N PRO A 44 12.516 -3.812 -7.398 1.00 0.00 N ATOM 629 CA PRO A 44 12.687 -5.210 -7.803 1.00 0.00 C ATOM 630 C PRO A 44 11.705 -6.141 -7.101 1.00 0.00 C ATOM 631 O PRO A 44 10.966 -5.723 -6.210 1.00 0.00 O ATOM 632 CB PRO A 44 14.123 -5.529 -7.378 1.00 0.00 C ATOM 633 CG PRO A 44 14.408 -4.581 -6.265 1.00 0.00 C ATOM 634 CD PRO A 44 13.642 -3.326 -6.583 1.00 0.00 C ATOM 0 HA PRO A 44 12.501 -5.352 -8.868 1.00 0.00 H new ATOM 0 HB2 PRO A 44 14.218 -6.564 -7.050 1.00 0.00 H new ATOM 0 HB3 PRO A 44 14.820 -5.391 -8.204 1.00 0.00 H new ATOM 0 HG2 PRO A 44 14.094 -4.998 -5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 44 15.476 -4.378 -6.190 1.00 0.00 H new ATOM 0 HD2 PRO A 44 13.297 -2.826 -5.678 1.00 0.00 H new ATOM 0 HD3 PRO A 44 14.254 -2.609 -7.130 1.00 0.00 H new ATOM 642 N SER A 45 11.702 -7.407 -7.509 1.00 0.00 N ATOM 643 CA SER A 45 10.807 -8.397 -6.921 1.00 0.00 C ATOM 644 C SER A 45 11.578 -9.359 -6.022 1.00 0.00 C ATOM 645 O SER A 45 11.249 -10.542 -5.935 1.00 0.00 O ATOM 646 CB SER A 45 10.083 -9.177 -8.020 1.00 0.00 C ATOM 647 OG SER A 45 9.315 -8.311 -8.838 1.00 0.00 O ATOM 0 H SER A 45 12.309 -7.771 -8.244 1.00 0.00 H new ATOM 0 HA SER A 45 10.071 -7.871 -6.314 1.00 0.00 H new ATOM 0 HB2 SER A 45 10.811 -9.710 -8.632 1.00 0.00 H new ATOM 0 HB3 SER A 45 9.434 -9.928 -7.570 1.00 0.00 H new ATOM 0 HG SER A 45 8.863 -8.833 -9.534 1.00 0.00 H new ATOM 653 N GLU A 46 12.605 -8.842 -5.356 1.00 0.00 N ATOM 654 CA GLU A 46 13.423 -9.656 -4.464 1.00 0.00 C ATOM 655 C GLU A 46 13.247 -9.218 -3.013 1.00 0.00 C ATOM 656 O GLU A 46 12.942 -8.059 -2.736 1.00 0.00 O ATOM 657 CB GLU A 46 14.898 -9.561 -4.861 1.00 0.00 C ATOM 658 CG GLU A 46 15.528 -8.214 -4.547 1.00 0.00 C ATOM 659 CD GLU A 46 16.802 -7.969 -5.332 1.00 0.00 C ATOM 660 OE1 GLU A 46 17.736 -8.790 -5.220 1.00 0.00 O ATOM 661 OE2 GLU A 46 16.864 -6.955 -6.058 1.00 0.00 O ATOM 0 H GLU A 46 12.891 -7.865 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 46 13.095 -10.691 -4.555 1.00 0.00 H new ATOM 0 HB2 GLU A 46 15.455 -10.342 -4.345 1.00 0.00 H new ATOM 0 HB3 GLU A 46 14.991 -9.756 -5.929 1.00 0.00 H new ATOM 0 HG2 GLU A 46 14.812 -7.422 -4.767 1.00 0.00 H new ATOM 0 HG3 GLU A 46 15.746 -8.159 -3.481 1.00 0.00 H new ATOM 668 N ASN A 47 13.440 -10.155 -2.090 1.00 0.00 N ATOM 669 CA ASN A 47 13.301 -9.867 -0.667 1.00 0.00 C ATOM 670 C ASN A 47 14.192 -8.698 -0.259 1.00 0.00 C ATOM 671 O ASN A 47 15.377 -8.875 0.018 1.00 0.00 O ATOM 672 CB ASN A 47 13.653 -11.105 0.161 1.00 0.00 C ATOM 673 CG ASN A 47 14.855 -11.847 -0.391 1.00 0.00 C ATOM 674 OD1 ASN A 47 14.611 -13.012 -0.979 1.00 0.00 O flip ATOM 675 ND2 ASN A 47 15.989 -11.378 -0.289 1.00 0.00 N flip ATOM 0 H ASN A 47 13.693 -11.120 -2.302 1.00 0.00 H new ATOM 0 HA ASN A 47 12.263 -9.593 -0.476 1.00 0.00 H new ATOM 0 HB2 ASN A 47 13.855 -10.806 1.189 1.00 0.00 H new ATOM 0 HB3 ASN A 47 12.795 -11.777 0.187 1.00 0.00 H new ATOM 0 HD21 ASN A 47 16.129 -10.479 0.171 1.00 0.00 H new ATOM 0 HD22 ASN A 47 16.788 -11.889 -0.665 1.00 0.00 H new ATOM 682 N ASN A 48 13.611 -7.503 -0.225 1.00 0.00 N ATOM 683 CA ASN A 48 14.352 -6.304 0.149 1.00 0.00 C ATOM 684 C ASN A 48 13.415 -5.109 0.295 1.00 0.00 C ATOM 685 O ASN A 48 12.500 -4.921 -0.507 1.00 0.00 O ATOM 686 CB ASN A 48 15.428 -5.997 -0.895 1.00 0.00 C ATOM 687 CG ASN A 48 16.270 -4.792 -0.522 1.00 0.00 C ATOM 688 OD1 ASN A 48 16.917 -4.774 0.525 1.00 0.00 O ATOM 689 ND2 ASN A 48 16.264 -3.778 -1.379 1.00 0.00 N ATOM 0 H ASN A 48 12.630 -7.339 -0.452 1.00 0.00 H new ATOM 0 HA ASN A 48 14.830 -6.489 1.111 1.00 0.00 H new ATOM 0 HB2 ASN A 48 16.075 -6.866 -1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 48 14.954 -5.820 -1.860 1.00 0.00 H new ATOM 0 HD21 ASN A 48 16.811 -2.940 -1.181 1.00 0.00 H new ATOM 0 HD22 ASN A 48 15.713 -3.837 -2.235 1.00 0.00 H new ATOM 696 N LYS A 49 13.650 -4.303 1.325 1.00 0.00 N ATOM 697 CA LYS A 49 12.829 -3.124 1.578 1.00 0.00 C ATOM 698 C LYS A 49 13.695 -1.875 1.705 1.00 0.00 C ATOM 699 O LYS A 49 14.919 -1.964 1.814 1.00 0.00 O ATOM 700 CB LYS A 49 12.002 -3.316 2.851 1.00 0.00 C ATOM 701 CG LYS A 49 12.841 -3.385 4.116 1.00 0.00 C ATOM 702 CD LYS A 49 12.028 -3.013 5.345 1.00 0.00 C ATOM 703 CE LYS A 49 12.554 -3.706 6.592 1.00 0.00 C ATOM 704 NZ LYS A 49 11.969 -3.131 7.835 1.00 0.00 N ATOM 0 H LYS A 49 14.403 -4.445 1.999 1.00 0.00 H new ATOM 0 HA LYS A 49 12.155 -2.993 0.731 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.292 -2.494 2.940 1.00 0.00 H new ATOM 0 HB3 LYS A 49 11.419 -4.233 2.761 1.00 0.00 H new ATOM 0 HG2 LYS A 49 13.241 -4.392 4.234 1.00 0.00 H new ATOM 0 HG3 LYS A 49 13.694 -2.712 4.025 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.057 -1.933 5.488 1.00 0.00 H new ATOM 0 HD3 LYS A 49 10.984 -3.286 5.189 1.00 0.00 H new ATOM 0 HE2 LYS A 49 12.323 -4.770 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 49 13.640 -3.616 6.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.353 -3.630 8.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 12.210 -2.121 7.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.935 -3.239 7.814 1.00 0.00 H new ATOM 718 N LEU A 50 13.053 -0.712 1.691 1.00 0.00 N ATOM 719 CA LEU A 50 13.765 0.556 1.806 1.00 0.00 C ATOM 720 C LEU A 50 12.788 1.718 1.949 1.00 0.00 C ATOM 721 O LEU A 50 11.648 1.647 1.487 1.00 0.00 O ATOM 722 CB LEU A 50 14.659 0.774 0.585 1.00 0.00 C ATOM 723 CG LEU A 50 15.167 2.201 0.370 1.00 0.00 C ATOM 724 CD1 LEU A 50 16.510 2.188 -0.343 1.00 0.00 C ATOM 725 CD2 LEU A 50 14.151 3.016 -0.417 1.00 0.00 C ATOM 0 H LEU A 50 12.041 -0.621 1.601 1.00 0.00 H new ATOM 0 HA LEU A 50 14.386 0.516 2.701 1.00 0.00 H new ATOM 0 HB2 LEU A 50 15.521 0.112 0.668 1.00 0.00 H new ATOM 0 HB3 LEU A 50 14.107 0.469 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 50 15.301 2.669 1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 50 16.855 3.212 -0.487 1.00 0.00 H new ATOM 0 HD12 LEU A 50 17.236 1.641 0.259 1.00 0.00 H new ATOM 0 HD13 LEU A 50 16.403 1.701 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 50 14.529 4.028 -0.560 1.00 0.00 H new ATOM 0 HD22 LEU A 50 13.984 2.550 -1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 50 13.211 3.054 0.133 1.00 0.00 H new ATOM 737 N THR A 51 13.241 2.790 2.591 1.00 0.00 N ATOM 738 CA THR A 51 12.407 3.969 2.795 1.00 0.00 C ATOM 739 C THR A 51 12.664 5.016 1.717 1.00 0.00 C ATOM 740 O THR A 51 13.757 5.575 1.628 1.00 0.00 O ATOM 741 CB THR A 51 12.655 4.601 4.177 1.00 0.00 C ATOM 742 OG1 THR A 51 12.606 3.592 5.193 1.00 0.00 O ATOM 743 CG2 THR A 51 11.621 5.677 4.474 1.00 0.00 C ATOM 0 H THR A 51 14.181 2.867 2.979 1.00 0.00 H new ATOM 0 HA THR A 51 11.370 3.637 2.737 1.00 0.00 H new ATOM 0 HB THR A 51 13.643 5.061 4.169 1.00 0.00 H new ATOM 0 HG1 THR A 51 12.766 4.002 6.069 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.817 6.109 5.455 1.00 0.00 H new ATOM 0 HG22 THR A 51 11.680 6.458 3.716 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.624 5.236 4.464 1.00 0.00 H new ATOM 751 N TYR A 52 11.649 5.278 0.900 1.00 0.00 N ATOM 752 CA TYR A 52 11.766 6.258 -0.173 1.00 0.00 C ATOM 753 C TYR A 52 11.042 7.551 0.188 1.00 0.00 C ATOM 754 O TYR A 52 9.835 7.553 0.430 1.00 0.00 O ATOM 755 CB TYR A 52 11.198 5.689 -1.475 1.00 0.00 C ATOM 756 CG TYR A 52 11.867 6.235 -2.716 1.00 0.00 C ATOM 757 CD1 TYR A 52 11.854 7.596 -2.994 1.00 0.00 C ATOM 758 CD2 TYR A 52 12.510 5.389 -3.612 1.00 0.00 C ATOM 759 CE1 TYR A 52 12.463 8.099 -4.128 1.00 0.00 C ATOM 760 CE2 TYR A 52 13.122 5.884 -4.747 1.00 0.00 C ATOM 761 CZ TYR A 52 13.096 7.239 -5.001 1.00 0.00 C ATOM 762 OH TYR A 52 13.704 7.736 -6.131 1.00 0.00 O ATOM 0 H TYR A 52 10.737 4.825 0.961 1.00 0.00 H new ATOM 0 HA TYR A 52 12.824 6.482 -0.312 1.00 0.00 H new ATOM 0 HB2 TYR A 52 11.302 4.604 -1.464 1.00 0.00 H new ATOM 0 HB3 TYR A 52 10.131 5.906 -1.522 1.00 0.00 H new ATOM 0 HD1 TYR A 52 11.360 8.272 -2.312 1.00 0.00 H new ATOM 0 HD2 TYR A 52 12.531 4.327 -3.417 1.00 0.00 H new ATOM 0 HE1 TYR A 52 12.443 9.160 -4.330 1.00 0.00 H new ATOM 0 HE2 TYR A 52 13.619 5.213 -5.432 1.00 0.00 H new ATOM 0 HH TYR A 52 14.104 6.999 -6.638 1.00 0.00 H new ATOM 772 N SER A 53 11.789 8.650 0.223 1.00 0.00 N ATOM 773 CA SER A 53 11.220 9.950 0.558 1.00 0.00 C ATOM 774 C SER A 53 11.023 10.796 -0.697 1.00 0.00 C ATOM 775 O SER A 53 11.915 11.541 -1.104 1.00 0.00 O ATOM 776 CB SER A 53 12.126 10.687 1.546 1.00 0.00 C ATOM 777 OG SER A 53 13.446 10.798 1.043 1.00 0.00 O ATOM 0 H SER A 53 12.789 8.666 0.024 1.00 0.00 H new ATOM 0 HA SER A 53 10.247 9.785 1.021 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.723 11.681 1.742 1.00 0.00 H new ATOM 0 HB3 SER A 53 12.140 10.156 2.498 1.00 0.00 H new ATOM 0 HG SER A 53 13.416 11.064 0.100 1.00 0.00 H new ATOM 783 N HIS A 54 9.847 10.675 -1.305 1.00 0.00 N ATOM 784 CA HIS A 54 9.531 11.429 -2.514 1.00 0.00 C ATOM 785 C HIS A 54 8.821 12.734 -2.169 1.00 0.00 C ATOM 786 O HIS A 54 7.853 12.744 -1.410 1.00 0.00 O ATOM 787 CB HIS A 54 8.658 10.591 -3.448 1.00 0.00 C ATOM 788 CG HIS A 54 8.253 11.313 -4.697 1.00 0.00 C ATOM 789 ND1 HIS A 54 7.539 12.492 -4.686 1.00 0.00 N ATOM 790 CD2 HIS A 54 8.468 11.017 -6.000 1.00 0.00 C ATOM 791 CE1 HIS A 54 7.331 12.890 -5.929 1.00 0.00 C ATOM 792 NE2 HIS A 54 7.885 12.012 -6.745 1.00 0.00 N ATOM 0 H HIS A 54 9.098 10.063 -0.981 1.00 0.00 H new ATOM 0 HA HIS A 54 10.466 11.668 -3.020 1.00 0.00 H new ATOM 0 HB2 HIS A 54 9.198 9.685 -3.721 1.00 0.00 H new ATOM 0 HB3 HIS A 54 7.762 10.279 -2.912 1.00 0.00 H new ATOM 0 HD2 HIS A 54 8.999 10.158 -6.383 1.00 0.00 H new ATOM 0 HE1 HIS A 54 6.799 13.781 -6.227 1.00 0.00 H new ATOM 0 HE2 HIS A 54 7.881 12.064 -7.764 1.00 0.00 H new ATOM 801 N GLY A 55 9.309 13.835 -2.733 1.00 0.00 N ATOM 802 CA GLY A 55 8.710 15.131 -2.473 1.00 0.00 C ATOM 803 C GLY A 55 8.346 15.319 -1.013 1.00 0.00 C ATOM 804 O GLY A 55 9.136 15.001 -0.124 1.00 0.00 O ATOM 0 H GLY A 55 10.109 13.852 -3.366 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.404 15.916 -2.775 1.00 0.00 H new ATOM 0 HA3 GLY A 55 7.815 15.244 -3.085 1.00 0.00 H new ATOM 808 N ASN A 56 7.148 15.838 -0.765 1.00 0.00 N ATOM 809 CA ASN A 56 6.683 16.070 0.597 1.00 0.00 C ATOM 810 C ASN A 56 5.830 14.904 1.087 1.00 0.00 C ATOM 811 O ASN A 56 4.845 15.098 1.801 1.00 0.00 O ATOM 812 CB ASN A 56 5.880 17.370 0.670 1.00 0.00 C ATOM 813 CG ASN A 56 6.669 18.566 0.172 1.00 0.00 C ATOM 814 OD1 ASN A 56 7.851 18.452 -0.153 1.00 0.00 O ATOM 815 ND2 ASN A 56 6.016 19.721 0.110 1.00 0.00 N ATOM 0 H ASN A 56 6.482 16.106 -1.490 1.00 0.00 H new ATOM 0 HA ASN A 56 7.557 16.154 1.243 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.971 17.266 0.078 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.571 17.546 1.700 1.00 0.00 H new ATOM 0 HD21 ASN A 56 6.494 20.560 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.036 19.769 0.390 1.00 0.00 H new ATOM 822 N TYR A 57 6.214 13.693 0.699 1.00 0.00 N ATOM 823 CA TYR A 57 5.483 12.496 1.096 1.00 0.00 C ATOM 824 C TYR A 57 6.429 11.309 1.256 1.00 0.00 C ATOM 825 O TYR A 57 7.456 11.223 0.581 1.00 0.00 O ATOM 826 CB TYR A 57 4.403 12.166 0.065 1.00 0.00 C ATOM 827 CG TYR A 57 3.151 13.001 0.213 1.00 0.00 C ATOM 828 CD1 TYR A 57 3.073 14.276 -0.336 1.00 0.00 C ATOM 829 CD2 TYR A 57 2.046 12.516 0.901 1.00 0.00 C ATOM 830 CE1 TYR A 57 1.932 15.042 -0.203 1.00 0.00 C ATOM 831 CE2 TYR A 57 0.899 13.275 1.038 1.00 0.00 C ATOM 832 CZ TYR A 57 0.847 14.537 0.484 1.00 0.00 C ATOM 833 OH TYR A 57 -0.292 15.297 0.619 1.00 0.00 O ATOM 0 H TYR A 57 7.027 13.515 0.110 1.00 0.00 H new ATOM 0 HA TYR A 57 5.009 12.693 2.058 1.00 0.00 H new ATOM 0 HB2 TYR A 57 4.811 12.311 -0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 57 4.139 11.112 0.152 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.920 14.674 -0.876 1.00 0.00 H new ATOM 0 HD2 TYR A 57 2.084 11.528 1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 57 1.889 16.031 -0.634 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.049 12.882 1.576 1.00 0.00 H new ATOM 0 HH TYR A 57 -0.962 14.795 1.128 1.00 0.00 H new ATOM 843 N LEU A 58 6.074 10.395 2.152 1.00 0.00 N ATOM 844 CA LEU A 58 6.889 9.211 2.401 1.00 0.00 C ATOM 845 C LEU A 58 6.364 8.013 1.615 1.00 0.00 C ATOM 846 O LEU A 58 5.155 7.837 1.466 1.00 0.00 O ATOM 847 CB LEU A 58 6.907 8.885 3.895 1.00 0.00 C ATOM 848 CG LEU A 58 7.610 9.903 4.795 1.00 0.00 C ATOM 849 CD1 LEU A 58 7.319 9.612 6.259 1.00 0.00 C ATOM 850 CD2 LEU A 58 9.109 9.897 4.536 1.00 0.00 C ATOM 0 H LEU A 58 5.227 10.451 2.718 1.00 0.00 H new ATOM 0 HA LEU A 58 7.905 9.424 2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 58 5.877 8.778 4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 58 7.389 7.917 4.030 1.00 0.00 H new ATOM 0 HG LEU A 58 7.224 10.895 4.560 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.827 10.346 6.884 1.00 0.00 H new ATOM 0 HD12 LEU A 58 6.245 9.668 6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 58 7.676 8.613 6.509 1.00 0.00 H new ATOM 0 HD21 LEU A 58 9.593 10.627 5.185 1.00 0.00 H new ATOM 0 HD22 LEU A 58 9.510 8.905 4.743 1.00 0.00 H new ATOM 0 HD23 LEU A 58 9.299 10.155 3.494 1.00 0.00 H new ATOM 862 N PHE A 59 7.282 7.192 1.115 1.00 0.00 N ATOM 863 CA PHE A 59 6.912 6.010 0.345 1.00 0.00 C ATOM 864 C PHE A 59 7.541 4.754 0.941 1.00 0.00 C ATOM 865 O PHE A 59 8.703 4.444 0.680 1.00 0.00 O ATOM 866 CB PHE A 59 7.347 6.169 -1.113 1.00 0.00 C ATOM 867 CG PHE A 59 6.372 6.948 -1.948 1.00 0.00 C ATOM 868 CD1 PHE A 59 6.057 8.259 -1.626 1.00 0.00 C ATOM 869 CD2 PHE A 59 5.770 6.371 -3.055 1.00 0.00 C ATOM 870 CE1 PHE A 59 5.159 8.978 -2.393 1.00 0.00 C ATOM 871 CE2 PHE A 59 4.872 7.085 -3.825 1.00 0.00 C ATOM 872 CZ PHE A 59 4.567 8.391 -3.494 1.00 0.00 C ATOM 0 H PHE A 59 8.287 7.323 1.229 1.00 0.00 H new ATOM 0 HA PHE A 59 5.828 5.906 0.384 1.00 0.00 H new ATOM 0 HB2 PHE A 59 8.317 6.666 -1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 59 7.482 5.181 -1.553 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.518 8.724 -0.767 1.00 0.00 H new ATOM 0 HD2 PHE A 59 6.006 5.351 -3.319 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.921 9.998 -2.131 1.00 0.00 H new ATOM 0 HE2 PHE A 59 4.409 6.623 -4.684 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.867 8.952 -4.095 1.00 0.00 H new ATOM 882 N HIS A 60 6.764 4.035 1.745 1.00 0.00 N ATOM 883 CA HIS A 60 7.244 2.812 2.379 1.00 0.00 C ATOM 884 C HIS A 60 6.694 1.579 1.668 1.00 0.00 C ATOM 885 O HIS A 60 5.484 1.442 1.488 1.00 0.00 O ATOM 886 CB HIS A 60 6.841 2.785 3.854 1.00 0.00 C ATOM 887 CG HIS A 60 6.741 4.146 4.472 1.00 0.00 C ATOM 888 ND1 HIS A 60 7.832 4.836 4.955 1.00 0.00 N ATOM 889 CD2 HIS A 60 5.669 4.946 4.683 1.00 0.00 C ATOM 890 CE1 HIS A 60 7.437 6.000 5.438 1.00 0.00 C ATOM 891 NE2 HIS A 60 6.128 6.092 5.285 1.00 0.00 N ATOM 0 H HIS A 60 5.800 4.278 1.973 1.00 0.00 H new ATOM 0 HA HIS A 60 8.331 2.798 2.306 1.00 0.00 H new ATOM 0 HB2 HIS A 60 5.880 2.280 3.951 1.00 0.00 H new ATOM 0 HB3 HIS A 60 7.569 2.195 4.410 1.00 0.00 H new ATOM 0 HD2 HIS A 60 4.644 4.724 4.426 1.00 0.00 H new ATOM 0 HE1 HIS A 60 8.075 6.749 5.882 1.00 0.00 H new ATOM 0 HE2 HIS A 60 5.552 6.885 5.568 1.00 0.00 H new ATOM 900 N TYR A 61 7.591 0.687 1.264 1.00 0.00 N ATOM 901 CA TYR A 61 7.197 -0.533 0.569 1.00 0.00 C ATOM 902 C TYR A 61 7.894 -1.751 1.167 1.00 0.00 C ATOM 903 O TYR A 61 9.017 -1.656 1.663 1.00 0.00 O ATOM 904 CB TYR A 61 7.525 -0.424 -0.921 1.00 0.00 C ATOM 905 CG TYR A 61 8.957 -0.779 -1.253 1.00 0.00 C ATOM 906 CD1 TYR A 61 9.331 -2.095 -1.492 1.00 0.00 C ATOM 907 CD2 TYR A 61 9.937 0.204 -1.329 1.00 0.00 C ATOM 908 CE1 TYR A 61 10.638 -2.423 -1.794 1.00 0.00 C ATOM 909 CE2 TYR A 61 11.246 -0.114 -1.633 1.00 0.00 C ATOM 910 CZ TYR A 61 11.592 -1.429 -1.864 1.00 0.00 C ATOM 911 OH TYR A 61 12.895 -1.752 -2.167 1.00 0.00 O ATOM 0 H TYR A 61 8.596 0.786 1.406 1.00 0.00 H new ATOM 0 HA TYR A 61 6.121 -0.658 0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.858 -1.080 -1.480 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.325 0.594 -1.255 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.586 -2.876 -1.441 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.670 1.235 -1.147 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.912 -3.452 -1.974 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.994 0.663 -1.690 1.00 0.00 H new ATOM 0 HH TYR A 61 13.440 -0.938 -2.178 1.00 0.00 H new ATOM 921 N ILE A 62 7.219 -2.894 1.117 1.00 0.00 N ATOM 922 CA ILE A 62 7.773 -4.132 1.652 1.00 0.00 C ATOM 923 C ILE A 62 7.622 -5.277 0.657 1.00 0.00 C ATOM 924 O ILE A 62 6.582 -5.420 0.012 1.00 0.00 O ATOM 925 CB ILE A 62 7.095 -4.525 2.977 1.00 0.00 C ATOM 926 CG1 ILE A 62 7.155 -3.363 3.970 1.00 0.00 C ATOM 927 CG2 ILE A 62 7.757 -5.764 3.564 1.00 0.00 C ATOM 928 CD1 ILE A 62 6.176 -3.496 5.116 1.00 0.00 C ATOM 0 H ILE A 62 6.288 -2.989 0.712 1.00 0.00 H new ATOM 0 HA ILE A 62 8.832 -3.951 1.835 1.00 0.00 H new ATOM 0 HB ILE A 62 6.048 -4.755 2.778 1.00 0.00 H new ATOM 0 HG12 ILE A 62 8.165 -3.291 4.372 1.00 0.00 H new ATOM 0 HG13 ILE A 62 6.957 -2.432 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.267 -6.029 4.501 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.668 -6.592 2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.811 -5.559 3.752 1.00 0.00 H new ATOM 0 HD11 ILE A 62 6.274 -2.637 5.780 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.160 -3.537 4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.388 -4.410 5.671 1.00 0.00 H new ATOM 940 N CYS A 63 8.664 -6.092 0.538 1.00 0.00 N ATOM 941 CA CYS A 63 8.647 -7.228 -0.378 1.00 0.00 C ATOM 942 C CYS A 63 8.427 -8.534 0.379 1.00 0.00 C ATOM 943 O CYS A 63 9.051 -8.775 1.412 1.00 0.00 O ATOM 944 CB CYS A 63 9.956 -7.294 -1.165 1.00 0.00 C ATOM 945 SG CYS A 63 10.208 -8.851 -2.049 1.00 0.00 S ATOM 0 H CYS A 63 9.532 -5.988 1.064 1.00 0.00 H new ATOM 0 HA CYS A 63 7.820 -7.090 -1.074 1.00 0.00 H new ATOM 0 HB2 CYS A 63 9.978 -6.474 -1.882 1.00 0.00 H new ATOM 0 HB3 CYS A 63 10.788 -7.139 -0.478 1.00 0.00 H new ATOM 0 HG CYS A 63 10.522 -8.602 -3.286 1.00 0.00 H new ATOM 951 N GLN A 64 7.536 -9.370 -0.142 1.00 0.00 N ATOM 952 CA GLN A 64 7.232 -10.651 0.486 1.00 0.00 C ATOM 953 C GLN A 64 6.323 -11.492 -0.403 1.00 0.00 C ATOM 954 O GLN A 64 5.258 -11.038 -0.824 1.00 0.00 O ATOM 955 CB GLN A 64 6.572 -10.431 1.848 1.00 0.00 C ATOM 956 CG GLN A 64 6.580 -11.665 2.735 1.00 0.00 C ATOM 957 CD GLN A 64 6.638 -11.323 4.211 1.00 0.00 C ATOM 958 OE1 GLN A 64 5.564 -10.736 4.725 1.00 0.00 O flip ATOM 959 NE2 GLN A 64 7.637 -11.583 4.882 1.00 0.00 N flip ATOM 0 H GLN A 64 7.012 -9.184 -0.997 1.00 0.00 H new ATOM 0 HA GLN A 64 8.169 -11.189 0.627 1.00 0.00 H new ATOM 0 HB2 GLN A 64 7.085 -9.620 2.364 1.00 0.00 H new ATOM 0 HB3 GLN A 64 5.541 -10.110 1.695 1.00 0.00 H new ATOM 0 HG2 GLN A 64 5.685 -12.255 2.538 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.436 -12.288 2.476 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.441 -12.035 4.446 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.661 -11.346 5.874 1.00 0.00 H new ATOM 968 N ASP A 65 6.749 -12.718 -0.686 1.00 0.00 N ATOM 969 CA ASP A 65 5.972 -13.623 -1.525 1.00 0.00 C ATOM 970 C ASP A 65 5.741 -13.019 -2.907 1.00 0.00 C ATOM 971 O ASP A 65 4.694 -13.228 -3.520 1.00 0.00 O ATOM 972 CB ASP A 65 4.631 -13.941 -0.863 1.00 0.00 C ATOM 973 CG ASP A 65 4.116 -15.318 -1.233 1.00 0.00 C ATOM 974 OD1 ASP A 65 4.455 -15.804 -2.333 1.00 0.00 O ATOM 975 OD2 ASP A 65 3.374 -15.911 -0.422 1.00 0.00 O ATOM 0 H ASP A 65 7.628 -13.108 -0.347 1.00 0.00 H new ATOM 0 HA ASP A 65 6.538 -14.547 -1.642 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.739 -13.875 0.220 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.897 -13.191 -1.157 1.00 0.00 H new ATOM 980 N ARG A 66 6.725 -12.267 -3.391 1.00 0.00 N ATOM 981 CA ARG A 66 6.628 -11.631 -4.699 1.00 0.00 C ATOM 982 C ARG A 66 5.490 -10.615 -4.726 1.00 0.00 C ATOM 983 O ARG A 66 4.860 -10.401 -5.762 1.00 0.00 O ATOM 984 CB ARG A 66 6.412 -12.684 -5.787 1.00 0.00 C ATOM 985 CG ARG A 66 7.593 -13.623 -5.969 1.00 0.00 C ATOM 986 CD ARG A 66 8.618 -13.050 -6.934 1.00 0.00 C ATOM 987 NE ARG A 66 9.519 -14.077 -7.450 1.00 0.00 N ATOM 988 CZ ARG A 66 10.608 -13.809 -8.162 1.00 0.00 C ATOM 989 NH1 ARG A 66 10.930 -12.554 -8.440 1.00 0.00 N ATOM 990 NH2 ARG A 66 11.378 -14.799 -8.596 1.00 0.00 N ATOM 0 H ARG A 66 7.598 -12.084 -2.897 1.00 0.00 H new ATOM 0 HA ARG A 66 7.564 -11.107 -4.891 1.00 0.00 H new ATOM 0 HB2 ARG A 66 5.527 -13.271 -5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 66 6.210 -12.181 -6.733 1.00 0.00 H new ATOM 0 HG2 ARG A 66 8.064 -13.808 -5.004 1.00 0.00 H new ATOM 0 HG3 ARG A 66 7.240 -14.585 -6.341 1.00 0.00 H new ATOM 0 HD2 ARG A 66 8.103 -12.569 -7.765 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.199 -12.278 -6.429 1.00 0.00 H new ATOM 0 HE ARG A 66 9.300 -15.054 -7.253 1.00 0.00 H new ATOM 0 HH11 ARG A 66 10.341 -11.791 -8.107 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.767 -12.351 -8.987 1.00 0.00 H new ATOM 0 HH21 ARG A 66 11.134 -15.766 -8.383 1.00 0.00 H new ATOM 0 HH22 ARG A 66 12.214 -14.593 -9.143 1.00 0.00 H new ATOM 1004 N ILE A 67 5.232 -9.993 -3.581 1.00 0.00 N ATOM 1005 CA ILE A 67 4.170 -8.999 -3.474 1.00 0.00 C ATOM 1006 C ILE A 67 4.694 -7.697 -2.878 1.00 0.00 C ATOM 1007 O ILE A 67 5.215 -7.677 -1.762 1.00 0.00 O ATOM 1008 CB ILE A 67 3.003 -9.513 -2.610 1.00 0.00 C ATOM 1009 CG1 ILE A 67 2.710 -10.980 -2.931 1.00 0.00 C ATOM 1010 CG2 ILE A 67 1.764 -8.659 -2.831 1.00 0.00 C ATOM 1011 CD1 ILE A 67 2.455 -11.238 -4.400 1.00 0.00 C ATOM 0 H ILE A 67 5.743 -10.159 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 67 3.808 -8.813 -4.485 1.00 0.00 H new ATOM 0 HB ILE A 67 3.288 -9.440 -1.560 1.00 0.00 H new ATOM 0 HG12 ILE A 67 3.552 -11.590 -2.604 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.841 -11.302 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.948 -9.035 -2.214 1.00 0.00 H new ATOM 0 HG22 ILE A 67 1.980 -7.626 -2.557 1.00 0.00 H new ATOM 0 HG23 ILE A 67 1.474 -8.703 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.255 -12.298 -4.554 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.595 -10.655 -4.728 1.00 0.00 H new ATOM 0 HD13 ILE A 67 3.332 -10.947 -4.978 1.00 0.00 H new ATOM 1023 N VAL A 68 4.550 -6.609 -3.628 1.00 0.00 N ATOM 1024 CA VAL A 68 5.006 -5.301 -3.173 1.00 0.00 C ATOM 1025 C VAL A 68 3.851 -4.484 -2.605 1.00 0.00 C ATOM 1026 O VAL A 68 2.855 -4.241 -3.287 1.00 0.00 O ATOM 1027 CB VAL A 68 5.668 -4.509 -4.316 1.00 0.00 C ATOM 1028 CG1 VAL A 68 6.015 -3.101 -3.859 1.00 0.00 C ATOM 1029 CG2 VAL A 68 6.906 -5.235 -4.820 1.00 0.00 C ATOM 0 H VAL A 68 4.121 -6.608 -4.553 1.00 0.00 H new ATOM 0 HA VAL A 68 5.743 -5.477 -2.389 1.00 0.00 H new ATOM 0 HB VAL A 68 4.959 -4.433 -5.140 1.00 0.00 H new ATOM 0 HG11 VAL A 68 6.482 -2.557 -4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 68 5.106 -2.584 -3.551 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.706 -3.152 -3.018 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.361 -4.661 -5.627 1.00 0.00 H new ATOM 0 HG22 VAL A 68 7.621 -5.344 -4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.624 -6.221 -5.190 1.00 0.00 H new ATOM 1039 N TYR A 69 3.992 -4.062 -1.354 1.00 0.00 N ATOM 1040 CA TYR A 69 2.959 -3.273 -0.693 1.00 0.00 C ATOM 1041 C TYR A 69 3.433 -1.842 -0.459 1.00 0.00 C ATOM 1042 O TYR A 69 4.126 -1.556 0.518 1.00 0.00 O ATOM 1043 CB TYR A 69 2.571 -3.917 0.639 1.00 0.00 C ATOM 1044 CG TYR A 69 2.384 -5.415 0.556 1.00 0.00 C ATOM 1045 CD1 TYR A 69 3.477 -6.267 0.462 1.00 0.00 C ATOM 1046 CD2 TYR A 69 1.114 -5.979 0.571 1.00 0.00 C ATOM 1047 CE1 TYR A 69 3.312 -7.636 0.385 1.00 0.00 C ATOM 1048 CE2 TYR A 69 0.939 -7.347 0.496 1.00 0.00 C ATOM 1049 CZ TYR A 69 2.041 -8.171 0.403 1.00 0.00 C ATOM 1050 OH TYR A 69 1.870 -9.535 0.326 1.00 0.00 O ATOM 0 H TYR A 69 4.811 -4.253 -0.777 1.00 0.00 H new ATOM 0 HA TYR A 69 2.086 -3.246 -1.345 1.00 0.00 H new ATOM 0 HB2 TYR A 69 3.341 -3.696 1.378 1.00 0.00 H new ATOM 0 HB3 TYR A 69 1.647 -3.463 0.997 1.00 0.00 H new ATOM 0 HD1 TYR A 69 4.474 -5.851 0.449 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.249 -5.336 0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 69 4.173 -8.284 0.311 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -0.055 -7.769 0.510 1.00 0.00 H new ATOM 0 HH TYR A 69 0.914 -9.747 0.352 1.00 0.00 H new ATOM 1060 N LEU A 70 3.054 -0.946 -1.364 1.00 0.00 N ATOM 1061 CA LEU A 70 3.438 0.458 -1.258 1.00 0.00 C ATOM 1062 C LEU A 70 2.307 1.289 -0.660 1.00 0.00 C ATOM 1063 O LEU A 70 1.130 0.970 -0.835 1.00 0.00 O ATOM 1064 CB LEU A 70 3.818 1.008 -2.634 1.00 0.00 C ATOM 1065 CG LEU A 70 4.536 2.358 -2.642 1.00 0.00 C ATOM 1066 CD1 LEU A 70 5.473 2.457 -3.836 1.00 0.00 C ATOM 1067 CD2 LEU A 70 3.528 3.498 -2.657 1.00 0.00 C ATOM 0 H LEU A 70 2.482 -1.166 -2.179 1.00 0.00 H new ATOM 0 HA LEU A 70 4.301 0.524 -0.596 1.00 0.00 H new ATOM 0 HB2 LEU A 70 4.455 0.277 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.910 1.098 -3.230 1.00 0.00 H new ATOM 0 HG LEU A 70 5.131 2.437 -1.732 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.975 3.424 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 70 6.216 1.662 -3.782 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.900 2.356 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.057 4.451 -2.663 1.00 0.00 H new ATOM 0 HD22 LEU A 70 2.907 3.423 -3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.898 3.438 -1.770 1.00 0.00 H new ATOM 1079 N CYS A 71 2.671 2.355 0.042 1.00 0.00 N ATOM 1080 CA CYS A 71 1.687 3.233 0.665 1.00 0.00 C ATOM 1081 C CYS A 71 2.227 4.654 0.788 1.00 0.00 C ATOM 1082 O CYS A 71 3.432 4.860 0.939 1.00 0.00 O ATOM 1083 CB CYS A 71 1.299 2.701 2.045 1.00 0.00 C ATOM 1084 SG CYS A 71 2.662 2.662 3.232 1.00 0.00 S ATOM 0 H CYS A 71 3.640 2.633 0.194 1.00 0.00 H new ATOM 0 HA CYS A 71 0.802 3.254 0.030 1.00 0.00 H new ATOM 0 HB2 CYS A 71 0.498 3.320 2.449 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.899 1.693 1.935 1.00 0.00 H new ATOM 0 HG CYS A 71 3.561 3.536 2.889 1.00 0.00 H new ATOM 1090 N ILE A 72 1.329 5.631 0.721 1.00 0.00 N ATOM 1091 CA ILE A 72 1.715 7.033 0.824 1.00 0.00 C ATOM 1092 C ILE A 72 1.202 7.650 2.121 1.00 0.00 C ATOM 1093 O ILE A 72 0.041 7.472 2.490 1.00 0.00 O ATOM 1094 CB ILE A 72 1.185 7.852 -0.367 1.00 0.00 C ATOM 1095 CG1 ILE A 72 1.691 7.263 -1.685 1.00 0.00 C ATOM 1096 CG2 ILE A 72 1.603 9.309 -0.236 1.00 0.00 C ATOM 1097 CD1 ILE A 72 0.743 7.475 -2.845 1.00 0.00 C ATOM 0 H ILE A 72 0.328 5.477 0.596 1.00 0.00 H new ATOM 0 HA ILE A 72 2.805 7.062 0.817 1.00 0.00 H new ATOM 0 HB ILE A 72 0.096 7.805 -0.365 1.00 0.00 H new ATOM 0 HG12 ILE A 72 2.655 7.711 -1.927 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.860 6.194 -1.555 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.221 9.875 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.197 9.722 0.687 1.00 0.00 H new ATOM 0 HG23 ILE A 72 2.691 9.375 -0.216 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.166 7.032 -3.746 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.214 7.003 -2.624 1.00 0.00 H new ATOM 0 HD13 ILE A 72 0.593 8.543 -3.002 1.00 0.00 H new ATOM 1109 N THR A 73 2.076 8.379 2.809 1.00 0.00 N ATOM 1110 CA THR A 73 1.712 9.024 4.064 1.00 0.00 C ATOM 1111 C THR A 73 2.317 10.420 4.160 1.00 0.00 C ATOM 1112 O THR A 73 3.111 10.823 3.310 1.00 0.00 O ATOM 1113 CB THR A 73 2.171 8.193 5.277 1.00 0.00 C ATOM 1114 OG1 THR A 73 3.601 8.115 5.304 1.00 0.00 O ATOM 1115 CG2 THR A 73 1.582 6.792 5.226 1.00 0.00 C ATOM 0 H THR A 73 3.041 8.537 2.518 1.00 0.00 H new ATOM 0 HA THR A 73 0.625 9.100 4.076 1.00 0.00 H new ATOM 0 HB THR A 73 1.818 8.686 6.183 1.00 0.00 H new ATOM 0 HG1 THR A 73 3.899 7.880 6.208 1.00 0.00 H new ATOM 0 HG21 THR A 73 1.920 6.224 6.092 1.00 0.00 H new ATOM 0 HG22 THR A 73 0.494 6.854 5.235 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.910 6.293 4.314 1.00 0.00 H new ATOM 1123 N ASP A 74 1.937 11.154 5.200 1.00 0.00 N ATOM 1124 CA ASP A 74 2.444 12.505 5.409 1.00 0.00 C ATOM 1125 C ASP A 74 3.817 12.474 6.075 1.00 0.00 C ATOM 1126 O ASP A 74 4.051 11.696 7.000 1.00 0.00 O ATOM 1127 CB ASP A 74 1.467 13.313 6.264 1.00 0.00 C ATOM 1128 CG ASP A 74 0.200 13.673 5.512 1.00 0.00 C ATOM 1129 OD1 ASP A 74 -0.271 12.838 4.711 1.00 0.00 O ATOM 1130 OD2 ASP A 74 -0.320 14.787 5.725 1.00 0.00 O ATOM 0 H ASP A 74 1.279 10.836 5.912 1.00 0.00 H new ATOM 0 HA ASP A 74 2.544 12.983 4.435 1.00 0.00 H new ATOM 0 HB2 ASP A 74 1.207 12.740 7.154 1.00 0.00 H new ATOM 0 HB3 ASP A 74 1.956 14.226 6.604 1.00 0.00 H new ATOM 1135 N ASP A 75 4.719 13.324 5.598 1.00 0.00 N ATOM 1136 CA ASP A 75 6.069 13.393 6.147 1.00 0.00 C ATOM 1137 C ASP A 75 6.039 13.339 7.671 1.00 0.00 C ATOM 1138 O ASP A 75 6.708 12.509 8.285 1.00 0.00 O ATOM 1139 CB ASP A 75 6.765 14.674 5.683 1.00 0.00 C ATOM 1140 CG ASP A 75 6.114 15.923 6.245 1.00 0.00 C ATOM 1141 OD1 ASP A 75 5.000 16.264 5.796 1.00 0.00 O ATOM 1142 OD2 ASP A 75 6.719 16.559 7.133 1.00 0.00 O ATOM 0 H ASP A 75 4.541 13.975 4.833 1.00 0.00 H new ATOM 0 HA ASP A 75 6.628 12.532 5.782 1.00 0.00 H new ATOM 0 HB2 ASP A 75 7.812 14.646 5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 75 6.750 14.718 4.594 1.00 0.00 H new ATOM 1147 N ASP A 76 5.259 14.230 8.274 1.00 0.00 N ATOM 1148 CA ASP A 76 5.142 14.284 9.727 1.00 0.00 C ATOM 1149 C ASP A 76 4.853 12.900 10.300 1.00 0.00 C ATOM 1150 O ASP A 76 5.387 12.525 11.344 1.00 0.00 O ATOM 1151 CB ASP A 76 4.037 15.259 10.135 1.00 0.00 C ATOM 1152 CG ASP A 76 4.460 16.707 9.987 1.00 0.00 C ATOM 1153 OD1 ASP A 76 4.455 17.214 8.845 1.00 0.00 O ATOM 1154 OD2 ASP A 76 4.794 17.335 11.013 1.00 0.00 O ATOM 0 H ASP A 76 4.699 14.924 7.780 1.00 0.00 H new ATOM 0 HA ASP A 76 6.092 14.634 10.131 1.00 0.00 H new ATOM 0 HB2 ASP A 76 3.153 15.078 9.524 1.00 0.00 H new ATOM 0 HB3 ASP A 76 3.754 15.070 11.170 1.00 0.00 H new ATOM 1159 N PHE A 77 4.004 12.145 9.611 1.00 0.00 N ATOM 1160 CA PHE A 77 3.642 10.803 10.053 1.00 0.00 C ATOM 1161 C PHE A 77 4.883 10.009 10.452 1.00 0.00 C ATOM 1162 O PHE A 77 5.978 10.253 9.946 1.00 0.00 O ATOM 1163 CB PHE A 77 2.886 10.065 8.946 1.00 0.00 C ATOM 1164 CG PHE A 77 1.943 9.015 9.462 1.00 0.00 C ATOM 1165 CD1 PHE A 77 0.833 9.370 10.210 1.00 0.00 C ATOM 1166 CD2 PHE A 77 2.169 7.674 9.197 1.00 0.00 C ATOM 1167 CE1 PHE A 77 -0.037 8.406 10.686 1.00 0.00 C ATOM 1168 CE2 PHE A 77 1.303 6.706 9.670 1.00 0.00 C ATOM 1169 CZ PHE A 77 0.199 7.072 10.416 1.00 0.00 C ATOM 0 H PHE A 77 3.554 12.439 8.744 1.00 0.00 H new ATOM 0 HA PHE A 77 2.995 10.897 10.925 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.324 10.789 8.356 1.00 0.00 H new ATOM 0 HB3 PHE A 77 3.606 9.597 8.275 1.00 0.00 H new ATOM 0 HD1 PHE A 77 0.645 10.412 10.424 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.031 7.382 8.615 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.899 8.696 11.268 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.489 5.664 9.457 1.00 0.00 H new ATOM 0 HZ PHE A 77 -0.478 6.317 10.787 1.00 0.00 H new ATOM 1179 N GLU A 78 4.702 9.058 11.364 1.00 0.00 N ATOM 1180 CA GLU A 78 5.806 8.229 11.832 1.00 0.00 C ATOM 1181 C GLU A 78 5.955 6.982 10.966 1.00 0.00 C ATOM 1182 O GLU A 78 4.987 6.506 10.372 1.00 0.00 O ATOM 1183 CB GLU A 78 5.588 7.828 13.292 1.00 0.00 C ATOM 1184 CG GLU A 78 6.810 7.199 13.940 1.00 0.00 C ATOM 1185 CD GLU A 78 7.918 8.202 14.192 1.00 0.00 C ATOM 1186 OE1 GLU A 78 7.718 9.108 15.028 1.00 0.00 O ATOM 1187 OE2 GLU A 78 8.985 8.083 13.554 1.00 0.00 O ATOM 0 H GLU A 78 3.802 8.843 11.793 1.00 0.00 H new ATOM 0 HA GLU A 78 6.723 8.813 11.757 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.298 8.710 13.863 1.00 0.00 H new ATOM 0 HB3 GLU A 78 4.756 7.126 13.347 1.00 0.00 H new ATOM 0 HG2 GLU A 78 6.519 6.739 14.885 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.186 6.401 13.300 1.00 0.00 H new ATOM 1194 N ARG A 79 7.174 6.457 10.900 1.00 0.00 N ATOM 1195 CA ARG A 79 7.451 5.266 10.106 1.00 0.00 C ATOM 1196 C ARG A 79 6.753 4.044 10.697 1.00 0.00 C ATOM 1197 O ARG A 79 6.073 3.302 9.989 1.00 0.00 O ATOM 1198 CB ARG A 79 8.959 5.018 10.029 1.00 0.00 C ATOM 1199 CG ARG A 79 9.647 5.793 8.918 1.00 0.00 C ATOM 1200 CD ARG A 79 9.801 7.263 9.277 1.00 0.00 C ATOM 1201 NE ARG A 79 10.931 7.880 8.588 1.00 0.00 N ATOM 1202 CZ ARG A 79 11.510 9.006 8.988 1.00 0.00 C ATOM 1203 NH1 ARG A 79 11.068 9.635 10.068 1.00 0.00 N ATOM 1204 NH2 ARG A 79 12.535 9.505 8.308 1.00 0.00 N ATOM 0 H ARG A 79 7.986 6.838 11.387 1.00 0.00 H new ATOM 0 HA ARG A 79 7.065 5.432 9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.412 5.287 10.983 1.00 0.00 H new ATOM 0 HB3 ARG A 79 9.136 3.953 9.881 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.628 5.360 8.724 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.071 5.701 7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 79 8.886 7.796 9.021 1.00 0.00 H new ATOM 0 HD3 ARG A 79 9.936 7.361 10.354 1.00 0.00 H new ATOM 0 HE ARG A 79 11.296 7.421 7.753 1.00 0.00 H new ATOM 0 HH11 ARG A 79 10.281 9.254 10.594 1.00 0.00 H new ATOM 0 HH12 ARG A 79 11.515 10.500 10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 79 12.879 9.023 7.477 1.00 0.00 H new ATOM 0 HH22 ARG A 79 12.979 10.370 8.616 1.00 0.00 H new ATOM 1218 N SER A 80 6.928 3.842 12.000 1.00 0.00 N ATOM 1219 CA SER A 80 6.319 2.708 12.685 1.00 0.00 C ATOM 1220 C SER A 80 4.881 2.500 12.220 1.00 0.00 C ATOM 1221 O SER A 80 4.548 1.467 11.638 1.00 0.00 O ATOM 1222 CB SER A 80 6.351 2.924 14.199 1.00 0.00 C ATOM 1223 OG SER A 80 5.732 1.846 14.881 1.00 0.00 O ATOM 0 H SER A 80 7.486 4.448 12.601 1.00 0.00 H new ATOM 0 HA SER A 80 6.894 1.815 12.440 1.00 0.00 H new ATOM 0 HB2 SER A 80 7.383 3.025 14.533 1.00 0.00 H new ATOM 0 HB3 SER A 80 5.843 3.856 14.448 1.00 0.00 H new ATOM 0 HG SER A 80 5.767 2.007 15.847 1.00 0.00 H new ATOM 1229 N ARG A 81 4.033 3.490 12.480 1.00 0.00 N ATOM 1230 CA ARG A 81 2.630 3.416 12.089 1.00 0.00 C ATOM 1231 C ARG A 81 2.490 2.911 10.656 1.00 0.00 C ATOM 1232 O ARG A 81 1.761 1.955 10.393 1.00 0.00 O ATOM 1233 CB ARG A 81 1.968 4.789 12.225 1.00 0.00 C ATOM 1234 CG ARG A 81 1.585 5.142 13.652 1.00 0.00 C ATOM 1235 CD ARG A 81 1.335 6.634 13.809 1.00 0.00 C ATOM 1236 NE ARG A 81 1.120 7.010 15.204 1.00 0.00 N ATOM 1237 CZ ARG A 81 0.010 6.730 15.877 1.00 0.00 C ATOM 1238 NH1 ARG A 81 -0.981 6.076 15.287 1.00 0.00 N ATOM 1239 NH2 ARG A 81 -0.111 7.106 17.144 1.00 0.00 N ATOM 0 H ARG A 81 4.293 4.352 12.959 1.00 0.00 H new ATOM 0 HA ARG A 81 2.130 2.711 12.754 1.00 0.00 H new ATOM 0 HB2 ARG A 81 2.648 5.550 11.841 1.00 0.00 H new ATOM 0 HB3 ARG A 81 1.075 4.816 11.601 1.00 0.00 H new ATOM 0 HG2 ARG A 81 0.689 4.590 13.937 1.00 0.00 H new ATOM 0 HG3 ARG A 81 2.380 4.832 14.331 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.186 7.188 13.411 1.00 0.00 H new ATOM 0 HD3 ARG A 81 0.465 6.920 13.218 1.00 0.00 H new ATOM 0 HE ARG A 81 1.863 7.515 15.687 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -0.892 5.786 14.313 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -1.832 5.863 15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 81 0.649 7.610 17.601 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -0.964 6.891 17.661 1.00 0.00 H new ATOM 1253 N ALA A 82 3.194 3.560 9.735 1.00 0.00 N ATOM 1254 CA ALA A 82 3.150 3.176 8.329 1.00 0.00 C ATOM 1255 C ALA A 82 3.487 1.700 8.152 1.00 0.00 C ATOM 1256 O ALA A 82 2.648 0.908 7.723 1.00 0.00 O ATOM 1257 CB ALA A 82 4.104 4.038 7.516 1.00 0.00 C ATOM 0 H ALA A 82 3.802 4.354 9.937 1.00 0.00 H new ATOM 0 HA ALA A 82 2.135 3.336 7.966 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.061 3.740 6.468 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.816 5.085 7.608 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.120 3.907 7.889 1.00 0.00 H new ATOM 1263 N PHE A 83 4.720 1.335 8.486 1.00 0.00 N ATOM 1264 CA PHE A 83 5.169 -0.047 8.363 1.00 0.00 C ATOM 1265 C PHE A 83 4.182 -1.001 9.029 1.00 0.00 C ATOM 1266 O PHE A 83 3.970 -2.119 8.561 1.00 0.00 O ATOM 1267 CB PHE A 83 6.556 -0.213 8.986 1.00 0.00 C ATOM 1268 CG PHE A 83 7.675 0.224 8.085 1.00 0.00 C ATOM 1269 CD1 PHE A 83 7.981 -0.494 6.940 1.00 0.00 C ATOM 1270 CD2 PHE A 83 8.421 1.354 8.382 1.00 0.00 C ATOM 1271 CE1 PHE A 83 9.010 -0.094 6.109 1.00 0.00 C ATOM 1272 CE2 PHE A 83 9.451 1.759 7.554 1.00 0.00 C ATOM 1273 CZ PHE A 83 9.746 1.034 6.416 1.00 0.00 C ATOM 0 H PHE A 83 5.427 1.977 8.844 1.00 0.00 H new ATOM 0 HA PHE A 83 5.224 -0.291 7.302 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.601 0.361 9.912 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.703 -1.260 9.253 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.409 -1.376 6.694 1.00 0.00 H new ATOM 0 HD2 PHE A 83 8.195 1.925 9.271 1.00 0.00 H new ATOM 0 HE1 PHE A 83 9.239 -0.663 5.220 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.025 2.641 7.797 1.00 0.00 H new ATOM 0 HZ PHE A 83 10.550 1.348 5.768 1.00 0.00 H new ATOM 1283 N ASN A 84 3.581 -0.550 10.126 1.00 0.00 N ATOM 1284 CA ASN A 84 2.617 -1.363 10.859 1.00 0.00 C ATOM 1285 C ASN A 84 1.411 -1.695 9.986 1.00 0.00 C ATOM 1286 O ASN A 84 1.178 -2.855 9.644 1.00 0.00 O ATOM 1287 CB ASN A 84 2.160 -0.633 12.123 1.00 0.00 C ATOM 1288 CG ASN A 84 3.311 -0.331 13.064 1.00 0.00 C ATOM 1289 OD1 ASN A 84 4.407 -0.872 12.916 1.00 0.00 O ATOM 1290 ND2 ASN A 84 3.066 0.537 14.038 1.00 0.00 N ATOM 0 H ASN A 84 3.745 0.374 10.527 1.00 0.00 H new ATOM 0 HA ASN A 84 3.106 -2.295 11.142 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.669 0.299 11.844 1.00 0.00 H new ATOM 0 HB3 ASN A 84 1.419 -1.241 12.643 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.801 0.780 14.702 1.00 0.00 H new ATOM 0 HD22 ASN A 84 2.142 0.961 14.123 1.00 0.00 H new ATOM 1297 N PHE A 85 0.647 -0.669 9.627 1.00 0.00 N ATOM 1298 CA PHE A 85 -0.536 -0.851 8.794 1.00 0.00 C ATOM 1299 C PHE A 85 -0.249 -1.813 7.645 1.00 0.00 C ATOM 1300 O PHE A 85 -0.999 -2.762 7.412 1.00 0.00 O ATOM 1301 CB PHE A 85 -1.009 0.495 8.241 1.00 0.00 C ATOM 1302 CG PHE A 85 -1.998 0.368 7.118 1.00 0.00 C ATOM 1303 CD1 PHE A 85 -3.338 0.134 7.380 1.00 0.00 C ATOM 1304 CD2 PHE A 85 -1.587 0.483 5.800 1.00 0.00 C ATOM 1305 CE1 PHE A 85 -4.250 0.016 6.348 1.00 0.00 C ATOM 1306 CE2 PHE A 85 -2.494 0.367 4.763 1.00 0.00 C ATOM 1307 CZ PHE A 85 -3.827 0.134 5.038 1.00 0.00 C ATOM 0 H PHE A 85 0.826 0.297 9.900 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.324 -1.278 9.414 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.460 1.072 9.048 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -0.144 1.059 7.891 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -3.674 0.043 8.402 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.546 0.665 5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -5.292 -0.168 6.565 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -2.161 0.458 3.740 1.00 0.00 H new ATOM 0 HZ PHE A 85 -4.538 0.044 4.230 1.00 0.00 H new ATOM 1317 N LEU A 86 0.840 -1.560 6.928 1.00 0.00 N ATOM 1318 CA LEU A 86 1.228 -2.402 5.802 1.00 0.00 C ATOM 1319 C LEU A 86 1.319 -3.866 6.222 1.00 0.00 C ATOM 1320 O LEU A 86 0.780 -4.748 5.556 1.00 0.00 O ATOM 1321 CB LEU A 86 2.569 -1.939 5.231 1.00 0.00 C ATOM 1322 CG LEU A 86 2.542 -0.643 4.420 1.00 0.00 C ATOM 1323 CD1 LEU A 86 3.953 -0.118 4.204 1.00 0.00 C ATOM 1324 CD2 LEU A 86 1.843 -0.862 3.087 1.00 0.00 C ATOM 0 H LEU A 86 1.470 -0.778 7.106 1.00 0.00 H new ATOM 0 HA LEU A 86 0.462 -2.311 5.032 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.269 -1.812 6.057 1.00 0.00 H new ATOM 0 HB3 LEU A 86 2.965 -2.733 4.597 1.00 0.00 H new ATOM 0 HG LEU A 86 1.981 0.103 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 86 3.913 0.805 3.625 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.420 0.079 5.169 1.00 0.00 H new ATOM 0 HD13 LEU A 86 4.539 -0.861 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 86 1.833 0.071 2.524 1.00 0.00 H new ATOM 0 HD22 LEU A 86 2.375 -1.624 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 86 0.819 -1.190 3.263 1.00 0.00 H new ATOM 1336 N ASN A 87 2.004 -4.115 7.334 1.00 0.00 N ATOM 1337 CA ASN A 87 2.165 -5.471 7.845 1.00 0.00 C ATOM 1338 C ASN A 87 0.809 -6.100 8.155 1.00 0.00 C ATOM 1339 O ASN A 87 0.592 -7.284 7.904 1.00 0.00 O ATOM 1340 CB ASN A 87 3.037 -5.465 9.102 1.00 0.00 C ATOM 1341 CG ASN A 87 4.517 -5.389 8.778 1.00 0.00 C ATOM 1342 OD1 ASN A 87 4.907 -4.361 8.034 1.00 0.00 O flip ATOM 1343 ND2 ASN A 87 5.299 -6.244 9.193 1.00 0.00 N flip ATOM 0 H ASN A 87 2.456 -3.395 7.898 1.00 0.00 H new ATOM 0 HA ASN A 87 2.655 -6.067 7.075 1.00 0.00 H new ATOM 0 HB2 ASN A 87 2.761 -4.617 9.729 1.00 0.00 H new ATOM 0 HB3 ASN A 87 2.840 -6.367 9.682 1.00 0.00 H new ATOM 0 HD21 ASN A 87 4.954 -7.017 9.762 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.292 -6.179 8.968 1.00 0.00 H new ATOM 1350 N GLU A 88 -0.097 -5.297 8.703 1.00 0.00 N ATOM 1351 CA GLU A 88 -1.431 -5.775 9.048 1.00 0.00 C ATOM 1352 C GLU A 88 -2.134 -6.356 7.825 1.00 0.00 C ATOM 1353 O GLU A 88 -2.392 -7.558 7.757 1.00 0.00 O ATOM 1354 CB GLU A 88 -2.268 -4.638 9.639 1.00 0.00 C ATOM 1355 CG GLU A 88 -1.779 -4.165 10.997 1.00 0.00 C ATOM 1356 CD GLU A 88 -1.841 -5.253 12.051 1.00 0.00 C ATOM 1357 OE1 GLU A 88 -2.951 -5.759 12.318 1.00 0.00 O ATOM 1358 OE2 GLU A 88 -0.778 -5.599 12.609 1.00 0.00 O ATOM 0 H GLU A 88 0.068 -4.314 8.918 1.00 0.00 H new ATOM 0 HA GLU A 88 -1.325 -6.563 9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -2.262 -3.796 8.947 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -3.303 -4.969 9.730 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -0.752 -3.811 10.906 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.382 -3.316 11.320 1.00 0.00 H new ATOM 1365 N ILE A 89 -2.442 -5.494 6.861 1.00 0.00 N ATOM 1366 CA ILE A 89 -3.114 -5.921 5.641 1.00 0.00 C ATOM 1367 C ILE A 89 -2.237 -6.871 4.834 1.00 0.00 C ATOM 1368 O ILE A 89 -2.734 -7.784 4.174 1.00 0.00 O ATOM 1369 CB ILE A 89 -3.496 -4.718 4.758 1.00 0.00 C ATOM 1370 CG1 ILE A 89 -2.272 -3.836 4.503 1.00 0.00 C ATOM 1371 CG2 ILE A 89 -4.609 -3.913 5.412 1.00 0.00 C ATOM 1372 CD1 ILE A 89 -2.554 -2.659 3.595 1.00 0.00 C ATOM 0 H ILE A 89 -2.236 -4.496 6.902 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.022 -6.440 5.947 1.00 0.00 H new ATOM 0 HB ILE A 89 -3.858 -5.090 3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -1.895 -3.467 5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -1.482 -4.444 4.062 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -4.868 -3.066 4.776 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -5.485 -4.547 5.547 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.272 -3.548 6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -1.642 -2.078 3.458 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -2.902 -3.021 2.628 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -3.322 -2.029 4.044 1.00 0.00 H new ATOM 1384 N LYS A 90 -0.927 -6.653 4.892 1.00 0.00 N ATOM 1385 CA LYS A 90 0.022 -7.491 4.170 1.00 0.00 C ATOM 1386 C LYS A 90 -0.131 -8.955 4.569 1.00 0.00 C ATOM 1387 O LYS A 90 -0.120 -9.846 3.720 1.00 0.00 O ATOM 1388 CB LYS A 90 1.454 -7.025 4.440 1.00 0.00 C ATOM 1389 CG LYS A 90 2.513 -7.967 3.895 1.00 0.00 C ATOM 1390 CD LYS A 90 3.900 -7.349 3.966 1.00 0.00 C ATOM 1391 CE LYS A 90 4.505 -7.498 5.354 1.00 0.00 C ATOM 1392 NZ LYS A 90 5.372 -6.340 5.708 1.00 0.00 N ATOM 0 H LYS A 90 -0.499 -5.902 5.433 1.00 0.00 H new ATOM 0 HA LYS A 90 -0.189 -7.399 3.104 1.00 0.00 H new ATOM 0 HB2 LYS A 90 1.595 -6.038 3.999 1.00 0.00 H new ATOM 0 HB3 LYS A 90 1.595 -6.916 5.515 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.499 -8.898 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.279 -8.220 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 90 4.550 -7.825 3.231 1.00 0.00 H new ATOM 0 HD3 LYS A 90 3.843 -6.292 3.704 1.00 0.00 H new ATOM 0 HE2 LYS A 90 3.707 -7.592 6.090 1.00 0.00 H new ATOM 0 HE3 LYS A 90 5.090 -8.417 5.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.156 -6.664 6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.755 -5.915 4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.811 -5.631 6.222 1.00 0.00 H new ATOM 1406 N LYS A 91 -0.276 -9.197 5.868 1.00 0.00 N ATOM 1407 CA LYS A 91 -0.435 -10.553 6.381 1.00 0.00 C ATOM 1408 C LYS A 91 -1.828 -11.092 6.074 1.00 0.00 C ATOM 1409 O LYS A 91 -1.992 -12.270 5.756 1.00 0.00 O ATOM 1410 CB LYS A 91 -0.187 -10.581 7.891 1.00 0.00 C ATOM 1411 CG LYS A 91 1.284 -10.579 8.266 1.00 0.00 C ATOM 1412 CD LYS A 91 1.524 -11.296 9.584 1.00 0.00 C ATOM 1413 CE LYS A 91 1.728 -12.790 9.377 1.00 0.00 C ATOM 1414 NZ LYS A 91 0.432 -13.517 9.278 1.00 0.00 N ATOM 0 H LYS A 91 -0.287 -8.471 6.585 1.00 0.00 H new ATOM 0 HA LYS A 91 0.298 -11.190 5.886 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -0.670 -9.717 8.346 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.659 -11.469 8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 91 1.862 -11.061 7.478 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.640 -9.552 8.339 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.400 -10.873 10.075 1.00 0.00 H new ATOM 0 HD3 LYS A 91 0.676 -11.132 10.248 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.308 -12.955 8.469 1.00 0.00 H new ATOM 0 HE3 LYS A 91 2.310 -13.195 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 0.568 -14.509 9.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.265 -13.071 9.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.087 -13.479 8.298 1.00 0.00 H new ATOM 1428 N ARG A 92 -2.828 -10.222 6.169 1.00 0.00 N ATOM 1429 CA ARG A 92 -4.208 -10.611 5.900 1.00 0.00 C ATOM 1430 C ARG A 92 -4.369 -11.079 4.457 1.00 0.00 C ATOM 1431 O ARG A 92 -4.913 -12.153 4.199 1.00 0.00 O ATOM 1432 CB ARG A 92 -5.153 -9.440 6.177 1.00 0.00 C ATOM 1433 CG ARG A 92 -5.612 -9.357 7.624 1.00 0.00 C ATOM 1434 CD ARG A 92 -6.854 -8.491 7.766 1.00 0.00 C ATOM 1435 NE ARG A 92 -7.487 -8.653 9.072 1.00 0.00 N ATOM 1436 CZ ARG A 92 -8.762 -8.366 9.310 1.00 0.00 C ATOM 1437 NH1 ARG A 92 -9.535 -7.905 8.336 1.00 0.00 N ATOM 1438 NH2 ARG A 92 -9.266 -8.540 10.525 1.00 0.00 N ATOM 0 H ARG A 92 -2.709 -9.243 6.430 1.00 0.00 H new ATOM 0 HA ARG A 92 -4.462 -11.439 6.562 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -4.653 -8.509 5.909 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -6.027 -9.529 5.532 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -5.821 -10.359 7.998 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -4.810 -8.948 8.238 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -6.585 -7.445 7.621 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -7.567 -8.749 6.983 1.00 0.00 H new ATOM 0 HE ARG A 92 -6.920 -9.005 9.843 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -9.151 -7.770 7.401 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -10.514 -7.686 8.522 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -8.674 -8.894 11.277 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -10.245 -8.320 10.707 1.00 0.00 H new ATOM 1452 N PHE A 93 -3.894 -10.265 3.520 1.00 0.00 N ATOM 1453 CA PHE A 93 -3.987 -10.594 2.102 1.00 0.00 C ATOM 1454 C PHE A 93 -3.199 -11.862 1.786 1.00 0.00 C ATOM 1455 O PHE A 93 -3.744 -12.826 1.249 1.00 0.00 O ATOM 1456 CB PHE A 93 -3.470 -9.433 1.252 1.00 0.00 C ATOM 1457 CG PHE A 93 -3.376 -9.756 -0.212 1.00 0.00 C ATOM 1458 CD1 PHE A 93 -2.286 -10.449 -0.713 1.00 0.00 C ATOM 1459 CD2 PHE A 93 -4.378 -9.368 -1.087 1.00 0.00 C ATOM 1460 CE1 PHE A 93 -2.197 -10.748 -2.059 1.00 0.00 C ATOM 1461 CE2 PHE A 93 -4.295 -9.665 -2.434 1.00 0.00 C ATOM 1462 CZ PHE A 93 -3.203 -10.356 -2.921 1.00 0.00 C ATOM 0 H PHE A 93 -3.441 -9.373 3.717 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.036 -10.770 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -4.129 -8.575 1.385 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.485 -9.138 1.615 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -1.497 -10.759 -0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.234 -8.827 -0.712 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.341 -11.288 -2.437 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -5.083 -9.357 -3.105 1.00 0.00 H new ATOM 0 HZ PHE A 93 -3.136 -10.589 -3.973 1.00 0.00 H new ATOM 1472 N GLN A 94 -1.913 -11.851 2.121 1.00 0.00 N ATOM 1473 CA GLN A 94 -1.049 -12.998 1.872 1.00 0.00 C ATOM 1474 C GLN A 94 -1.604 -14.253 2.538 1.00 0.00 C ATOM 1475 O GLN A 94 -1.313 -15.373 2.117 1.00 0.00 O ATOM 1476 CB GLN A 94 0.366 -12.719 2.382 1.00 0.00 C ATOM 1477 CG GLN A 94 0.513 -12.882 3.886 1.00 0.00 C ATOM 1478 CD GLN A 94 1.834 -12.348 4.405 1.00 0.00 C ATOM 1479 OE1 GLN A 94 2.180 -11.131 4.002 1.00 0.00 O flip ATOM 1480 NE2 GLN A 94 2.537 -13.023 5.158 1.00 0.00 N flip ATOM 0 H GLN A 94 -1.447 -11.060 2.566 1.00 0.00 H new ATOM 0 HA GLN A 94 -1.013 -13.166 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.063 -13.392 1.882 1.00 0.00 H new ATOM 0 HB3 GLN A 94 0.649 -11.703 2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.305 -12.364 4.385 1.00 0.00 H new ATOM 0 HG3 GLN A 94 0.426 -13.938 4.143 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.232 -13.954 5.442 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.424 -12.651 5.497 1.00 0.00 H new ATOM 1489 N THR A 95 -2.405 -14.058 3.581 1.00 0.00 N ATOM 1490 CA THR A 95 -2.999 -15.173 4.306 1.00 0.00 C ATOM 1491 C THR A 95 -4.367 -15.533 3.738 1.00 0.00 C ATOM 1492 O THR A 95 -4.808 -16.679 3.828 1.00 0.00 O ATOM 1493 CB THR A 95 -3.148 -14.853 5.806 1.00 0.00 C ATOM 1494 OG1 THR A 95 -1.856 -14.772 6.419 1.00 0.00 O ATOM 1495 CG2 THR A 95 -3.982 -15.915 6.506 1.00 0.00 C ATOM 0 H THR A 95 -2.657 -13.138 3.942 1.00 0.00 H new ATOM 0 HA THR A 95 -2.324 -16.021 4.187 1.00 0.00 H new ATOM 0 HB THR A 95 -3.657 -13.894 5.902 1.00 0.00 H new ATOM 0 HG1 THR A 95 -1.489 -13.872 6.291 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.073 -15.667 7.564 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.974 -15.954 6.056 1.00 0.00 H new ATOM 0 HG23 THR A 95 -3.497 -16.886 6.401 1.00 0.00 H new ATOM 1503 N THR A 96 -5.037 -14.545 3.150 1.00 0.00 N ATOM 1504 CA THR A 96 -6.355 -14.757 2.567 1.00 0.00 C ATOM 1505 C THR A 96 -6.259 -15.000 1.065 1.00 0.00 C ATOM 1506 O THR A 96 -6.613 -16.073 0.575 1.00 0.00 O ATOM 1507 CB THR A 96 -7.283 -13.555 2.823 1.00 0.00 C ATOM 1508 OG1 THR A 96 -7.167 -13.128 4.185 1.00 0.00 O ATOM 1509 CG2 THR A 96 -8.730 -13.913 2.520 1.00 0.00 C ATOM 0 H THR A 96 -4.687 -13.591 3.066 1.00 0.00 H new ATOM 0 HA THR A 96 -6.775 -15.640 3.049 1.00 0.00 H new ATOM 0 HB THR A 96 -6.980 -12.744 2.161 1.00 0.00 H new ATOM 0 HG1 THR A 96 -6.462 -12.451 4.257 1.00 0.00 H new ATOM 0 HG21 THR A 96 -9.366 -13.048 2.708 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.820 -14.209 1.475 1.00 0.00 H new ATOM 0 HG23 THR A 96 -9.042 -14.739 3.159 1.00 0.00 H new ATOM 1517 N TYR A 97 -5.778 -13.997 0.338 1.00 0.00 N ATOM 1518 CA TYR A 97 -5.637 -14.102 -1.110 1.00 0.00 C ATOM 1519 C TYR A 97 -4.166 -14.105 -1.515 1.00 0.00 C ATOM 1520 O TYR A 97 -3.798 -13.574 -2.561 1.00 0.00 O ATOM 1521 CB TYR A 97 -6.365 -12.946 -1.798 1.00 0.00 C ATOM 1522 CG TYR A 97 -7.725 -12.650 -1.209 1.00 0.00 C ATOM 1523 CD1 TYR A 97 -8.722 -13.617 -1.191 1.00 0.00 C ATOM 1524 CD2 TYR A 97 -8.013 -11.402 -0.669 1.00 0.00 C ATOM 1525 CE1 TYR A 97 -9.967 -13.351 -0.654 1.00 0.00 C ATOM 1526 CE2 TYR A 97 -9.255 -11.127 -0.129 1.00 0.00 C ATOM 1527 CZ TYR A 97 -10.228 -12.104 -0.124 1.00 0.00 C ATOM 1528 OH TYR A 97 -11.466 -11.835 0.413 1.00 0.00 O ATOM 0 H TYR A 97 -5.479 -13.103 0.727 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.084 -15.044 -1.427 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.748 -12.050 -1.734 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -6.480 -13.179 -2.857 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -8.520 -14.594 -1.604 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -7.253 -10.634 -0.671 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -10.731 -14.114 -0.649 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -9.462 -10.152 0.287 1.00 0.00 H new ATOM 0 HH TYR A 97 -11.486 -10.913 0.744 1.00 0.00 H new ATOM 1538 N GLY A 98 -3.330 -14.710 -0.677 1.00 0.00 N ATOM 1539 CA GLY A 98 -1.909 -14.773 -0.964 1.00 0.00 C ATOM 1540 C GLY A 98 -1.585 -15.749 -2.077 1.00 0.00 C ATOM 1541 O GLY A 98 -1.083 -15.357 -3.130 1.00 0.00 O ATOM 0 H GLY A 98 -3.611 -15.158 0.195 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -1.553 -13.781 -1.240 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -1.372 -15.065 -0.061 1.00 0.00 H new ATOM 1545 N SER A 99 -1.870 -17.027 -1.843 1.00 0.00 N ATOM 1546 CA SER A 99 -1.601 -18.063 -2.832 1.00 0.00 C ATOM 1547 C SER A 99 -2.169 -17.676 -4.194 1.00 0.00 C ATOM 1548 O SER A 99 -1.484 -17.768 -5.213 1.00 0.00 O ATOM 1549 CB SER A 99 -2.197 -19.397 -2.379 1.00 0.00 C ATOM 1550 OG SER A 99 -1.464 -20.489 -2.906 1.00 0.00 O ATOM 0 H SER A 99 -2.287 -17.369 -0.977 1.00 0.00 H new ATOM 0 HA SER A 99 -0.520 -18.169 -2.926 1.00 0.00 H new ATOM 0 HB2 SER A 99 -2.198 -19.447 -1.290 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.236 -19.463 -2.702 1.00 0.00 H new ATOM 0 HG SER A 99 -1.864 -21.330 -2.600 1.00 0.00 H new ATOM 1556 N ARG A 100 -3.425 -17.242 -4.202 1.00 0.00 N ATOM 1557 CA ARG A 100 -4.087 -16.842 -5.438 1.00 0.00 C ATOM 1558 C ARG A 100 -3.367 -15.661 -6.082 1.00 0.00 C ATOM 1559 O ARG A 100 -3.359 -15.517 -7.305 1.00 0.00 O ATOM 1560 CB ARG A 100 -5.546 -16.475 -5.164 1.00 0.00 C ATOM 1561 CG ARG A 100 -6.473 -17.678 -5.088 1.00 0.00 C ATOM 1562 CD ARG A 100 -7.711 -17.375 -4.259 1.00 0.00 C ATOM 1563 NE ARG A 100 -7.471 -17.557 -2.830 1.00 0.00 N ATOM 1564 CZ ARG A 100 -8.433 -17.803 -1.948 1.00 0.00 C ATOM 1565 NH1 ARG A 100 -9.694 -17.897 -2.347 1.00 0.00 N ATOM 1566 NH2 ARG A 100 -8.135 -17.957 -0.664 1.00 0.00 N ATOM 0 H ARG A 100 -4.005 -17.158 -3.367 1.00 0.00 H new ATOM 0 HA ARG A 100 -4.055 -17.685 -6.128 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -5.603 -15.923 -4.226 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -5.897 -15.806 -5.949 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -6.771 -17.974 -6.094 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -5.940 -18.523 -4.652 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -8.030 -16.349 -4.445 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -8.527 -18.025 -4.575 1.00 0.00 H new ATOM 0 HE ARG A 100 -6.511 -17.492 -2.491 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -9.927 -17.780 -3.333 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -10.431 -18.086 -1.668 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -7.166 -17.886 -0.353 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -8.875 -18.146 0.012 1.00 0.00 H new ATOM 1580 N ALA A 101 -2.763 -14.818 -5.251 1.00 0.00 N ATOM 1581 CA ALA A 101 -2.039 -13.651 -5.739 1.00 0.00 C ATOM 1582 C ALA A 101 -0.949 -14.054 -6.727 1.00 0.00 C ATOM 1583 O ALA A 101 -0.433 -13.219 -7.470 1.00 0.00 O ATOM 1584 CB ALA A 101 -1.438 -12.877 -4.575 1.00 0.00 C ATOM 0 H ALA A 101 -2.761 -14.922 -4.236 1.00 0.00 H new ATOM 0 HA ALA A 101 -2.747 -13.008 -6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -0.900 -12.008 -4.955 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -2.234 -12.548 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -0.748 -13.520 -4.028 1.00 0.00 H new ATOM 1590 N GLN A 102 -0.604 -15.338 -6.729 1.00 0.00 N ATOM 1591 CA GLN A 102 0.425 -15.850 -7.625 1.00 0.00 C ATOM 1592 C GLN A 102 -0.197 -16.470 -8.872 1.00 0.00 C ATOM 1593 O GLN A 102 0.428 -16.522 -9.931 1.00 0.00 O ATOM 1594 CB GLN A 102 1.290 -16.885 -6.904 1.00 0.00 C ATOM 1595 CG GLN A 102 1.980 -16.342 -5.662 1.00 0.00 C ATOM 1596 CD GLN A 102 2.961 -15.230 -5.978 1.00 0.00 C ATOM 1597 OE1 GLN A 102 4.172 -15.449 -6.023 1.00 0.00 O ATOM 1598 NE2 GLN A 102 2.442 -14.028 -6.200 1.00 0.00 N ATOM 0 H GLN A 102 -1.022 -16.042 -6.120 1.00 0.00 H new ATOM 0 HA GLN A 102 1.052 -15.013 -7.932 1.00 0.00 H new ATOM 0 HB2 GLN A 102 0.667 -17.734 -6.622 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.045 -17.260 -7.595 1.00 0.00 H new ATOM 0 HG2 GLN A 102 1.228 -15.971 -4.966 1.00 0.00 H new ATOM 0 HG3 GLN A 102 2.506 -17.153 -5.159 1.00 0.00 H new ATOM 0 HE21 GLN A 102 1.432 -13.892 -6.152 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.053 -13.241 -6.418 1.00 0.00 H new ATOM 1607 N THR A 103 -1.433 -16.941 -8.738 1.00 0.00 N ATOM 1608 CA THR A 103 -2.140 -17.560 -9.852 1.00 0.00 C ATOM 1609 C THR A 103 -3.251 -16.653 -10.370 1.00 0.00 C ATOM 1610 O THR A 103 -3.212 -16.200 -11.513 1.00 0.00 O ATOM 1611 CB THR A 103 -2.747 -18.917 -9.449 1.00 0.00 C ATOM 1612 OG1 THR A 103 -3.798 -18.720 -8.496 1.00 0.00 O ATOM 1613 CG2 THR A 103 -1.684 -19.831 -8.858 1.00 0.00 C ATOM 0 H THR A 103 -1.965 -16.905 -7.869 1.00 0.00 H new ATOM 0 HA THR A 103 -1.406 -17.719 -10.642 1.00 0.00 H new ATOM 0 HB THR A 103 -3.153 -19.389 -10.344 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.180 -19.587 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 103 -2.136 -20.783 -8.581 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.900 -20.002 -9.596 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.253 -19.363 -7.973 1.00 0.00 H new ATOM 1621 N ALA A 104 -4.240 -16.393 -9.521 1.00 0.00 N ATOM 1622 CA ALA A 104 -5.360 -15.537 -9.893 1.00 0.00 C ATOM 1623 C ALA A 104 -4.905 -14.402 -10.803 1.00 0.00 C ATOM 1624 O ALA A 104 -3.829 -13.829 -10.631 1.00 0.00 O ATOM 1625 CB ALA A 104 -6.035 -14.981 -8.648 1.00 0.00 C ATOM 0 H ALA A 104 -4.288 -16.763 -8.572 1.00 0.00 H new ATOM 0 HA ALA A 104 -6.080 -16.142 -10.444 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -6.869 -14.344 -8.940 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -6.404 -15.804 -8.036 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -5.316 -14.396 -8.074 1.00 0.00 H new ATOM 1631 N PRO A 105 -5.742 -14.067 -11.796 1.00 0.00 N ATOM 1632 CA PRO A 105 -5.447 -12.997 -12.753 1.00 0.00 C ATOM 1633 C PRO A 105 -5.499 -11.614 -12.112 1.00 0.00 C ATOM 1634 O PRO A 105 -5.967 -11.443 -10.986 1.00 0.00 O ATOM 1635 CB PRO A 105 -6.554 -13.142 -13.801 1.00 0.00 C ATOM 1636 CG PRO A 105 -7.678 -13.797 -13.075 1.00 0.00 C ATOM 1637 CD PRO A 105 -7.042 -14.707 -12.060 1.00 0.00 C ATOM 0 HA PRO A 105 -4.440 -13.083 -13.162 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -6.852 -12.172 -14.200 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -6.223 -13.746 -14.646 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -8.314 -13.056 -12.590 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -8.311 -14.360 -13.761 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -7.644 -14.782 -11.155 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -6.921 -15.719 -12.447 1.00 0.00 H new ATOM 1645 N PRO A 106 -5.008 -10.603 -12.843 1.00 0.00 N ATOM 1646 CA PRO A 106 -4.988 -9.217 -12.365 1.00 0.00 C ATOM 1647 C PRO A 106 -6.385 -8.611 -12.286 1.00 0.00 C ATOM 1648 O PRO A 106 -7.222 -8.841 -13.160 1.00 0.00 O ATOM 1649 CB PRO A 106 -4.149 -8.491 -13.419 1.00 0.00 C ATOM 1650 CG PRO A 106 -4.300 -9.309 -14.655 1.00 0.00 C ATOM 1651 CD PRO A 106 -4.435 -10.734 -14.193 1.00 0.00 C ATOM 0 HA PRO A 106 -4.587 -9.140 -11.354 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -4.503 -7.472 -13.573 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -3.104 -8.423 -13.115 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -5.176 -8.998 -15.224 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -3.436 -9.191 -15.309 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.086 -11.310 -14.851 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -3.471 -11.243 -14.173 1.00 0.00 H new ATOM 1659 N TYR A 107 -6.630 -7.837 -11.236 1.00 0.00 N ATOM 1660 CA TYR A 107 -7.927 -7.199 -11.042 1.00 0.00 C ATOM 1661 C TYR A 107 -9.035 -8.241 -10.929 1.00 0.00 C ATOM 1662 O TYR A 107 -10.110 -8.085 -11.507 1.00 0.00 O ATOM 1663 CB TYR A 107 -8.226 -6.243 -12.198 1.00 0.00 C ATOM 1664 CG TYR A 107 -7.490 -4.926 -12.100 1.00 0.00 C ATOM 1665 CD1 TYR A 107 -7.985 -3.887 -11.321 1.00 0.00 C ATOM 1666 CD2 TYR A 107 -6.300 -4.720 -12.787 1.00 0.00 C ATOM 1667 CE1 TYR A 107 -7.316 -2.682 -11.230 1.00 0.00 C ATOM 1668 CE2 TYR A 107 -5.624 -3.518 -12.700 1.00 0.00 C ATOM 1669 CZ TYR A 107 -6.136 -2.502 -11.921 1.00 0.00 C ATOM 1670 OH TYR A 107 -5.466 -1.304 -11.831 1.00 0.00 O ATOM 0 H TYR A 107 -5.948 -7.636 -10.505 1.00 0.00 H new ATOM 0 HA TYR A 107 -7.890 -6.633 -10.111 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -7.962 -6.728 -13.137 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -9.298 -6.049 -12.230 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -8.908 -4.024 -10.778 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -5.897 -5.513 -13.399 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -7.715 -1.885 -10.621 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -4.699 -3.375 -13.239 1.00 0.00 H new ATOM 0 HH TYR A 107 -4.653 -1.342 -12.377 1.00 0.00 H new ATOM 1680 N ALA A 108 -8.764 -9.305 -10.181 1.00 0.00 N ATOM 1681 CA ALA A 108 -9.737 -10.373 -9.989 1.00 0.00 C ATOM 1682 C ALA A 108 -10.444 -10.236 -8.645 1.00 0.00 C ATOM 1683 O ALA A 108 -11.637 -10.517 -8.528 1.00 0.00 O ATOM 1684 CB ALA A 108 -9.059 -11.731 -10.096 1.00 0.00 C ATOM 0 H ALA A 108 -7.878 -9.450 -9.698 1.00 0.00 H new ATOM 0 HA ALA A 108 -10.488 -10.292 -10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -9.798 -12.519 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -8.607 -11.835 -11.082 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -8.286 -11.813 -9.332 1.00 0.00 H new ATOM 1690 N MET A 109 -9.700 -9.804 -7.631 1.00 0.00 N ATOM 1691 CA MET A 109 -10.257 -9.630 -6.295 1.00 0.00 C ATOM 1692 C MET A 109 -10.037 -8.206 -5.795 1.00 0.00 C ATOM 1693 O MET A 109 -9.487 -7.996 -4.715 1.00 0.00 O ATOM 1694 CB MET A 109 -9.625 -10.628 -5.322 1.00 0.00 C ATOM 1695 CG MET A 109 -8.105 -10.623 -5.349 1.00 0.00 C ATOM 1696 SD MET A 109 -7.430 -11.680 -6.645 1.00 0.00 S ATOM 1697 CE MET A 109 -6.315 -12.710 -5.696 1.00 0.00 C ATOM 0 H MET A 109 -8.711 -9.568 -7.710 1.00 0.00 H new ATOM 0 HA MET A 109 -11.330 -9.815 -6.349 1.00 0.00 H new ATOM 0 HB2 MET A 109 -9.963 -10.401 -4.311 1.00 0.00 H new ATOM 0 HB3 MET A 109 -9.981 -11.630 -5.560 1.00 0.00 H new ATOM 0 HG2 MET A 109 -7.751 -9.603 -5.497 1.00 0.00 H new ATOM 0 HG3 MET A 109 -7.727 -10.954 -4.382 1.00 0.00 H new ATOM 0 HE1 MET A 109 -5.468 -12.999 -6.318 1.00 0.00 H new ATOM 0 HE2 MET A 109 -5.956 -12.155 -4.829 1.00 0.00 H new ATOM 0 HE3 MET A 109 -6.841 -13.604 -5.362 1.00 0.00 H new ATOM 1707 N ASN A 110 -10.470 -7.232 -6.589 1.00 0.00 N ATOM 1708 CA ASN A 110 -10.319 -5.827 -6.227 1.00 0.00 C ATOM 1709 C ASN A 110 -11.480 -5.363 -5.353 1.00 0.00 C ATOM 1710 O ASN A 110 -11.305 -4.535 -4.460 1.00 0.00 O ATOM 1711 CB ASN A 110 -10.234 -4.961 -7.485 1.00 0.00 C ATOM 1712 CG ASN A 110 -9.861 -3.524 -7.174 1.00 0.00 C ATOM 1713 OD1 ASN A 110 -9.691 -3.153 -6.013 1.00 0.00 O ATOM 1714 ND2 ASN A 110 -9.732 -2.708 -8.214 1.00 0.00 N ATOM 0 H ASN A 110 -10.928 -7.390 -7.487 1.00 0.00 H new ATOM 0 HA ASN A 110 -9.395 -5.721 -5.659 1.00 0.00 H new ATOM 0 HB2 ASN A 110 -9.496 -5.386 -8.166 1.00 0.00 H new ATOM 0 HB3 ASN A 110 -11.193 -4.981 -8.002 1.00 0.00 H new ATOM 0 HD21 ASN A 110 -9.482 -1.730 -8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 110 -9.882 -3.059 -9.160 1.00 0.00 H new ATOM 1721 N SER A 111 -12.665 -5.903 -5.618 1.00 0.00 N ATOM 1722 CA SER A 111 -13.857 -5.542 -4.858 1.00 0.00 C ATOM 1723 C SER A 111 -13.732 -5.992 -3.406 1.00 0.00 C ATOM 1724 O SER A 111 -13.893 -5.195 -2.482 1.00 0.00 O ATOM 1725 CB SER A 111 -15.101 -6.167 -5.492 1.00 0.00 C ATOM 1726 OG SER A 111 -14.800 -7.424 -6.074 1.00 0.00 O ATOM 0 H SER A 111 -12.826 -6.592 -6.353 1.00 0.00 H new ATOM 0 HA SER A 111 -13.955 -4.457 -4.877 1.00 0.00 H new ATOM 0 HB2 SER A 111 -15.876 -6.289 -4.736 1.00 0.00 H new ATOM 0 HB3 SER A 111 -15.501 -5.497 -6.253 1.00 0.00 H new ATOM 0 HG SER A 111 -15.612 -7.804 -6.471 1.00 0.00 H new ATOM 1732 N GLU A 112 -13.442 -7.275 -3.213 1.00 0.00 N ATOM 1733 CA GLU A 112 -13.297 -7.832 -1.873 1.00 0.00 C ATOM 1734 C GLU A 112 -12.247 -7.063 -1.076 1.00 0.00 C ATOM 1735 O GLU A 112 -12.521 -6.570 0.019 1.00 0.00 O ATOM 1736 CB GLU A 112 -12.912 -9.311 -1.950 1.00 0.00 C ATOM 1737 CG GLU A 112 -14.106 -10.248 -2.016 1.00 0.00 C ATOM 1738 CD GLU A 112 -14.772 -10.438 -0.667 1.00 0.00 C ATOM 1739 OE1 GLU A 112 -14.776 -9.479 0.133 1.00 0.00 O ATOM 1740 OE2 GLU A 112 -15.290 -11.545 -0.411 1.00 0.00 O ATOM 0 H GLU A 112 -13.303 -7.948 -3.967 1.00 0.00 H new ATOM 0 HA GLU A 112 -14.256 -7.740 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -12.287 -9.470 -2.829 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -12.308 -9.566 -1.079 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -14.834 -9.853 -2.724 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -13.783 -11.217 -2.397 1.00 0.00 H new ATOM 1747 N PHE A 113 -11.045 -6.964 -1.632 1.00 0.00 N ATOM 1748 CA PHE A 113 -9.953 -6.257 -0.973 1.00 0.00 C ATOM 1749 C PHE A 113 -10.256 -4.765 -0.869 1.00 0.00 C ATOM 1750 O PHE A 113 -9.816 -4.095 0.065 1.00 0.00 O ATOM 1751 CB PHE A 113 -8.644 -6.471 -1.737 1.00 0.00 C ATOM 1752 CG PHE A 113 -7.426 -6.444 -0.858 1.00 0.00 C ATOM 1753 CD1 PHE A 113 -7.295 -7.336 0.194 1.00 0.00 C ATOM 1754 CD2 PHE A 113 -6.413 -5.526 -1.084 1.00 0.00 C ATOM 1755 CE1 PHE A 113 -6.175 -7.315 1.004 1.00 0.00 C ATOM 1756 CE2 PHE A 113 -5.291 -5.500 -0.277 1.00 0.00 C ATOM 1757 CZ PHE A 113 -5.173 -6.395 0.769 1.00 0.00 C ATOM 0 H PHE A 113 -10.802 -7.365 -2.538 1.00 0.00 H new ATOM 0 HA PHE A 113 -9.848 -6.660 0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 113 -8.687 -7.429 -2.255 1.00 0.00 H new ATOM 0 HB3 PHE A 113 -8.548 -5.700 -2.501 1.00 0.00 H new ATOM 0 HD1 PHE A 113 -8.077 -8.056 0.383 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -6.501 -4.823 -1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 113 -6.084 -8.017 1.819 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -4.507 -4.781 -0.464 1.00 0.00 H new ATOM 0 HZ PHE A 113 -4.298 -6.375 1.402 1.00 0.00 H new ATOM 1767 N SER A 114 -11.010 -4.252 -1.836 1.00 0.00 N ATOM 1768 CA SER A 114 -11.368 -2.838 -1.856 1.00 0.00 C ATOM 1769 C SER A 114 -12.071 -2.438 -0.563 1.00 0.00 C ATOM 1770 O SER A 114 -11.708 -1.449 0.074 1.00 0.00 O ATOM 1771 CB SER A 114 -12.270 -2.537 -3.054 1.00 0.00 C ATOM 1772 OG SER A 114 -13.130 -1.443 -2.783 1.00 0.00 O ATOM 0 H SER A 114 -11.385 -4.793 -2.615 1.00 0.00 H new ATOM 0 HA SER A 114 -10.450 -2.257 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 114 -11.657 -2.314 -3.928 1.00 0.00 H new ATOM 0 HB3 SER A 114 -12.863 -3.418 -3.297 1.00 0.00 H new ATOM 0 HG SER A 114 -12.598 -0.626 -2.681 1.00 0.00 H new ATOM 1778 N SER A 115 -13.080 -3.213 -0.180 1.00 0.00 N ATOM 1779 CA SER A 115 -13.838 -2.938 1.035 1.00 0.00 C ATOM 1780 C SER A 115 -12.995 -3.220 2.276 1.00 0.00 C ATOM 1781 O SER A 115 -12.991 -2.440 3.228 1.00 0.00 O ATOM 1782 CB SER A 115 -15.113 -3.782 1.069 1.00 0.00 C ATOM 1783 OG SER A 115 -16.070 -3.298 0.143 1.00 0.00 O ATOM 0 H SER A 115 -13.392 -4.037 -0.694 1.00 0.00 H new ATOM 0 HA SER A 115 -14.110 -1.882 1.033 1.00 0.00 H new ATOM 0 HB2 SER A 115 -14.872 -4.820 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 115 -15.535 -3.768 2.074 1.00 0.00 H new ATOM 0 HG SER A 115 -16.875 -3.856 0.183 1.00 0.00 H new ATOM 1789 N VAL A 116 -12.282 -4.342 2.257 1.00 0.00 N ATOM 1790 CA VAL A 116 -11.435 -4.728 3.379 1.00 0.00 C ATOM 1791 C VAL A 116 -10.415 -3.640 3.697 1.00 0.00 C ATOM 1792 O VAL A 116 -10.257 -3.241 4.852 1.00 0.00 O ATOM 1793 CB VAL A 116 -10.690 -6.045 3.092 1.00 0.00 C ATOM 1794 CG1 VAL A 116 -9.720 -6.367 4.219 1.00 0.00 C ATOM 1795 CG2 VAL A 116 -11.680 -7.183 2.889 1.00 0.00 C ATOM 0 H VAL A 116 -12.274 -4.999 1.477 1.00 0.00 H new ATOM 0 HA VAL A 116 -12.092 -4.869 4.237 1.00 0.00 H new ATOM 0 HB VAL A 116 -10.115 -5.924 2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -9.203 -7.301 3.998 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -8.991 -5.562 4.313 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -10.270 -6.469 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -11.137 -8.106 2.687 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -12.283 -7.306 3.789 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -12.331 -6.953 2.045 1.00 0.00 H new ATOM 1805 N LEU A 117 -9.726 -3.163 2.667 1.00 0.00 N ATOM 1806 CA LEU A 117 -8.721 -2.119 2.836 1.00 0.00 C ATOM 1807 C LEU A 117 -9.349 -0.843 3.388 1.00 0.00 C ATOM 1808 O LEU A 117 -8.858 -0.268 4.359 1.00 0.00 O ATOM 1809 CB LEU A 117 -8.032 -1.826 1.502 1.00 0.00 C ATOM 1810 CG LEU A 117 -6.865 -2.742 1.134 1.00 0.00 C ATOM 1811 CD1 LEU A 117 -6.306 -2.373 -0.231 1.00 0.00 C ATOM 1812 CD2 LEU A 117 -5.776 -2.671 2.195 1.00 0.00 C ATOM 0 H LEU A 117 -9.845 -3.482 1.706 1.00 0.00 H new ATOM 0 HA LEU A 117 -7.979 -2.476 3.550 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -8.778 -1.886 0.710 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -7.669 -0.798 1.521 1.00 0.00 H new ATOM 0 HG LEU A 117 -7.234 -3.767 1.088 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -5.476 -3.036 -0.476 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -7.087 -2.476 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.953 -1.342 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -4.953 -3.329 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -5.411 -1.647 2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -6.183 -2.986 3.156 1.00 0.00 H new ATOM 1824 N ALA A 118 -10.438 -0.407 2.763 1.00 0.00 N ATOM 1825 CA ALA A 118 -11.135 0.798 3.194 1.00 0.00 C ATOM 1826 C ALA A 118 -11.370 0.787 4.701 1.00 0.00 C ATOM 1827 O ALA A 118 -11.135 1.784 5.383 1.00 0.00 O ATOM 1828 CB ALA A 118 -12.457 0.937 2.453 1.00 0.00 C ATOM 0 H ALA A 118 -10.856 -0.871 1.956 1.00 0.00 H new ATOM 0 HA ALA A 118 -10.506 1.656 2.957 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -12.967 1.841 2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -12.269 0.999 1.381 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -13.084 0.070 2.661 1.00 0.00 H new ATOM 1834 N ALA A 119 -11.836 -0.347 5.214 1.00 0.00 N ATOM 1835 CA ALA A 119 -12.102 -0.488 6.641 1.00 0.00 C ATOM 1836 C ALA A 119 -10.813 -0.392 7.451 1.00 0.00 C ATOM 1837 O ALA A 119 -10.786 0.220 8.518 1.00 0.00 O ATOM 1838 CB ALA A 119 -12.805 -1.808 6.919 1.00 0.00 C ATOM 0 H ALA A 119 -12.037 -1.181 4.663 1.00 0.00 H new ATOM 0 HA ALA A 119 -12.755 0.330 6.947 1.00 0.00 H new ATOM 0 HB1 ALA A 119 -12.997 -1.900 7.988 1.00 0.00 H new ATOM 0 HB2 ALA A 119 -13.750 -1.838 6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 119 -12.172 -2.633 6.592 1.00 0.00 H new ATOM 1844 N GLN A 120 -9.749 -1.000 6.937 1.00 0.00 N ATOM 1845 CA GLN A 120 -8.459 -0.983 7.614 1.00 0.00 C ATOM 1846 C GLN A 120 -7.921 0.440 7.727 1.00 0.00 C ATOM 1847 O GLN A 120 -7.495 0.871 8.799 1.00 0.00 O ATOM 1848 CB GLN A 120 -7.455 -1.862 6.867 1.00 0.00 C ATOM 1849 CG GLN A 120 -7.717 -3.352 7.022 1.00 0.00 C ATOM 1850 CD GLN A 120 -7.608 -3.817 8.461 1.00 0.00 C ATOM 1851 OE1 GLN A 120 -6.561 -3.676 9.093 1.00 0.00 O ATOM 1852 NE2 GLN A 120 -8.692 -4.375 8.987 1.00 0.00 N ATOM 0 H GLN A 120 -9.755 -1.510 6.054 1.00 0.00 H new ATOM 0 HA GLN A 120 -8.601 -1.379 8.620 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -7.478 -1.606 5.808 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -6.451 -1.639 7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -8.713 -3.583 6.644 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -7.007 -3.908 6.410 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -9.539 -4.472 8.427 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -8.678 -4.707 9.951 1.00 0.00 H new ATOM 1861 N LEU A 121 -7.944 1.165 6.614 1.00 0.00 N ATOM 1862 CA LEU A 121 -7.458 2.540 6.587 1.00 0.00 C ATOM 1863 C LEU A 121 -8.223 3.407 7.581 1.00 0.00 C ATOM 1864 O LEU A 121 -7.644 3.947 8.525 1.00 0.00 O ATOM 1865 CB LEU A 121 -7.592 3.121 5.178 1.00 0.00 C ATOM 1866 CG LEU A 121 -6.389 2.926 4.254 1.00 0.00 C ATOM 1867 CD1 LEU A 121 -6.837 2.850 2.803 1.00 0.00 C ATOM 1868 CD2 LEU A 121 -5.381 4.050 4.445 1.00 0.00 C ATOM 0 H LEU A 121 -8.294 0.824 5.719 1.00 0.00 H new ATOM 0 HA LEU A 121 -6.406 2.534 6.873 1.00 0.00 H new ATOM 0 HB2 LEU A 121 -8.465 2.673 4.704 1.00 0.00 H new ATOM 0 HB3 LEU A 121 -7.789 4.190 5.265 1.00 0.00 H new ATOM 0 HG LEU A 121 -5.906 1.984 4.513 1.00 0.00 H new ATOM 0 HD11 LEU A 121 -5.967 2.711 2.161 1.00 0.00 H new ATOM 0 HD12 LEU A 121 -7.520 2.010 2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 121 -7.346 3.775 2.530 1.00 0.00 H new ATOM 0 HD21 LEU A 121 -4.532 3.894 3.779 1.00 0.00 H new ATOM 0 HD22 LEU A 121 -5.853 5.005 4.214 1.00 0.00 H new ATOM 0 HD23 LEU A 121 -5.035 4.057 5.479 1.00 0.00 H new ATOM 1880 N LYS A 122 -9.528 3.535 7.366 1.00 0.00 N ATOM 1881 CA LYS A 122 -10.374 4.333 8.245 1.00 0.00 C ATOM 1882 C LYS A 122 -10.071 4.036 9.710 1.00 0.00 C ATOM 1883 O LYS A 122 -9.801 4.946 10.495 1.00 0.00 O ATOM 1884 CB LYS A 122 -11.851 4.058 7.953 1.00 0.00 C ATOM 1885 CG LYS A 122 -12.409 4.883 6.806 1.00 0.00 C ATOM 1886 CD LYS A 122 -13.824 4.459 6.451 1.00 0.00 C ATOM 1887 CE LYS A 122 -14.843 5.070 7.401 1.00 0.00 C ATOM 1888 NZ LYS A 122 -16.193 5.167 6.779 1.00 0.00 N ATOM 0 H LYS A 122 -10.023 3.096 6.590 1.00 0.00 H new ATOM 0 HA LYS A 122 -10.162 5.385 8.055 1.00 0.00 H new ATOM 0 HB2 LYS A 122 -11.976 3.000 7.723 1.00 0.00 H new ATOM 0 HB3 LYS A 122 -12.434 4.260 8.852 1.00 0.00 H new ATOM 0 HG2 LYS A 122 -12.402 5.938 7.079 1.00 0.00 H new ATOM 0 HG3 LYS A 122 -11.766 4.775 5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 122 -14.050 4.762 5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 122 -13.899 3.372 6.485 1.00 0.00 H new ATOM 0 HE2 LYS A 122 -14.903 4.466 8.307 1.00 0.00 H new ATOM 0 HE3 LYS A 122 -14.509 6.063 7.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 -16.859 5.588 7.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 -16.141 5.764 5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 -16.523 4.217 6.515 1.00 0.00 H new ATOM 1902 N HIS A 123 -10.114 2.758 10.071 1.00 0.00 N ATOM 1903 CA HIS A 123 -9.842 2.341 11.442 1.00 0.00 C ATOM 1904 C HIS A 123 -8.511 2.908 11.927 1.00 0.00 C ATOM 1905 O HIS A 123 -8.458 3.627 12.926 1.00 0.00 O ATOM 1906 CB HIS A 123 -9.826 0.815 11.540 1.00 0.00 C ATOM 1907 CG HIS A 123 -10.041 0.302 12.931 1.00 0.00 C ATOM 1908 ND1 HIS A 123 -10.627 -0.916 13.201 1.00 0.00 N ATOM 1909 CD2 HIS A 123 -9.743 0.850 14.132 1.00 0.00 C ATOM 1910 CE1 HIS A 123 -10.682 -1.096 14.509 1.00 0.00 C ATOM 1911 NE2 HIS A 123 -10.151 -0.038 15.097 1.00 0.00 N ATOM 0 H HIS A 123 -10.335 1.993 9.433 1.00 0.00 H new ATOM 0 HA HIS A 123 -10.637 2.730 12.079 1.00 0.00 H new ATOM 0 HB2 HIS A 123 -10.600 0.409 10.888 1.00 0.00 H new ATOM 0 HB3 HIS A 123 -8.870 0.445 11.169 1.00 0.00 H new ATOM 0 HD2 HIS A 123 -9.272 1.807 14.300 1.00 0.00 H new ATOM 0 HE1 HIS A 123 -11.091 -1.960 15.012 1.00 0.00 H new ATOM 0 HE2 HIS A 123 -10.059 0.097 16.104 1.00 0.00 H new ATOM 1920 N HIS A 124 -7.438 2.578 11.216 1.00 0.00 N ATOM 1921 CA HIS A 124 -6.106 3.054 11.574 1.00 0.00 C ATOM 1922 C HIS A 124 -6.114 4.561 11.811 1.00 0.00 C ATOM 1923 O HIS A 124 -5.688 5.036 12.864 1.00 0.00 O ATOM 1924 CB HIS A 124 -5.103 2.704 10.475 1.00 0.00 C ATOM 1925 CG HIS A 124 -3.868 3.552 10.499 1.00 0.00 C ATOM 1926 ND1 HIS A 124 -3.857 4.875 10.112 1.00 0.00 N ATOM 1927 CD2 HIS A 124 -2.600 3.258 10.868 1.00 0.00 C ATOM 1928 CE1 HIS A 124 -2.634 5.358 10.240 1.00 0.00 C ATOM 1929 NE2 HIS A 124 -1.852 4.397 10.698 1.00 0.00 N ATOM 0 H HIS A 124 -7.464 1.983 10.388 1.00 0.00 H new ATOM 0 HA HIS A 124 -5.807 2.560 12.498 1.00 0.00 H new ATOM 0 HB2 HIS A 124 -4.817 1.657 10.576 1.00 0.00 H new ATOM 0 HB3 HIS A 124 -5.588 2.810 9.505 1.00 0.00 H new ATOM 0 HD1 HIS A 124 -4.666 5.399 9.779 1.00 0.00 H new ATOM 0 HD2 HIS A 124 -2.243 2.305 11.229 1.00 0.00 H new ATOM 0 HE1 HIS A 124 -2.326 6.367 10.009 1.00 0.00 H new