USER MOD reduce.3.24.130724 H: found=0, std=0, add=979, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 981 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 96 SER OG : rot 77:sc= 1.03 USER MOD Set 1.2: A 142 LYS NZ :NH3+ -170:sc= 2.29 (180deg=0.694) USER MOD Set 2.1: A 72 SER OG : rot -77:sc= 1.34 USER MOD Set 2.2: A 132 SER OG : rot -169:sc= 0.585 USER MOD Set 3.1: A 38 ASN : amide:sc= -5.55! C(o=-0.35!,f=-4!) USER MOD Set 3.2: A 41 CYS SG : rot -162:sc= 0.826 USER MOD Set 3.3: A 66 CYS SG : rot -44:sc= 2.13 USER MOD Set 3.4: A 69 SER OG : rot -165:sc= 1.28 USER MOD Set 3.5: A 128 CYS SG : rot -146:sc= 0.969 USER MOD Set 4.1: A 18 HIS : no HD1:sc= -3.32! K(o=-2!,f=-1) USER MOD Set 4.2: A 74 SER OG : rot 89:sc= 1.31 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 MET CE :methyl 169:sc= 0 (180deg=-0.183) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.022) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 ASN : amide:sc= -1.59! K(o=-1.6!,f=-3.5) USER MOD Single : A 25 LYS NZ :NH3+ -158:sc= 1.26 (180deg=0.721) USER MOD Single : A 29 ASN : amide:sc= -0.262 X(o=-0.26,f=-0.0019) USER MOD Single : A 31 SER OG : rot -74:sc= -0.53! USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -5.43! K(o=-5.4!,f=-1.2) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot -80:sc= 0.228 USER MOD Single : A 49 MET CE :methyl 149:sc= -8.19! (180deg=-9.31!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -166:sc= 1.15 (180deg=0.726) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -178:sc= 0 (180deg=-0.00406) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -164:sc= -0.059 (180deg=-0.384) USER MOD Single : A 77 THR OG1 : rot -87:sc= 1.28 USER MOD Single : A 78 GLN : amide:sc= 0.00782 X(o=0.0078,f=-0.09) USER MOD Single : A 81 LYS NZ :NH3+ 172:sc= 1.11 (180deg=1.05) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot -132:sc= 1.74 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl -164:sc= -0.101 (180deg=-0.494) USER MOD Single : A 92 SER OG : rot -83:sc= 0.973 USER MOD Single : A 93 LYS NZ :NH3+ 143:sc= -0.186 (180deg=-0.418!) USER MOD Single : A 117 GLN : amide:sc= -3.03! C(o=-3!,f=-1.7!) USER MOD Single : A 120 SER OG : rot -28:sc= 0.355 USER MOD Single : A 121 LYS NZ :NH3+ -169:sc= 1.21 (180deg=1.04) USER MOD Single : A 127 LYS NZ :NH3+ -156:sc= -0.166 (180deg=-0.993) USER MOD Single : A 130 THR OG1 : rot -89:sc= 0.595 USER MOD Single : A 134 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 138 LYS NZ :NH3+ 166:sc= -0.0654 (180deg=-0.348) USER MOD ----------------------------------------------------------------- ATOM 89 N LEU A 7 -9.790 -8.192 12.502 1.00 0.00 N ATOM 90 CA LEU A 7 -9.439 -8.187 11.088 1.00 0.00 C ATOM 91 C LEU A 7 -10.684 -8.279 10.210 1.00 0.00 C ATOM 92 O LEU A 7 -10.776 -7.600 9.190 1.00 0.00 O ATOM 93 CB LEU A 7 -8.488 -9.347 10.772 1.00 0.00 C ATOM 94 CG LEU A 7 -8.037 -9.450 9.310 1.00 0.00 C ATOM 95 CD1 LEU A 7 -7.228 -8.227 8.903 1.00 0.00 C ATOM 96 CD2 LEU A 7 -7.222 -10.717 9.090 1.00 0.00 C ATOM 0 HA LEU A 7 -8.938 -7.244 10.871 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.603 -9.250 11.401 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -8.977 -10.281 11.050 1.00 0.00 H new ATOM 0 HG LEU A 7 -8.929 -9.495 8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.920 -8.324 7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.839 -7.332 9.018 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -6.345 -8.148 9.537 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.911 -10.773 8.047 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.341 -10.699 9.731 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.830 -11.588 9.334 1.00 0.00 H new ATOM 108 N ASP A 8 -11.644 -9.103 10.628 1.00 0.00 N ATOM 109 CA ASP A 8 -12.837 -9.381 9.824 1.00 0.00 C ATOM 110 C ASP A 8 -13.581 -8.105 9.463 1.00 0.00 C ATOM 111 O ASP A 8 -13.789 -7.809 8.289 1.00 0.00 O ATOM 112 CB ASP A 8 -13.786 -10.327 10.563 1.00 0.00 C ATOM 113 CG ASP A 8 -15.008 -10.675 9.729 1.00 0.00 C ATOM 114 OD1 ASP A 8 -14.948 -11.661 8.967 1.00 0.00 O ATOM 115 OD2 ASP A 8 -16.030 -9.968 9.827 1.00 0.00 O ATOM 0 H ASP A 8 -11.620 -9.592 11.523 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.495 -9.856 8.905 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.254 -11.241 10.826 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.105 -9.864 11.497 1.00 0.00 H new ATOM 120 N THR A 9 -13.968 -7.352 10.479 1.00 0.00 N ATOM 121 CA THR A 9 -14.725 -6.129 10.277 1.00 0.00 C ATOM 122 C THR A 9 -13.855 -5.045 9.644 1.00 0.00 C ATOM 123 O THR A 9 -14.352 -4.164 8.940 1.00 0.00 O ATOM 124 CB THR A 9 -15.306 -5.635 11.615 1.00 0.00 C ATOM 125 OG1 THR A 9 -16.030 -6.705 12.235 1.00 0.00 O ATOM 126 CG2 THR A 9 -16.235 -4.444 11.418 1.00 0.00 C ATOM 0 H THR A 9 -13.769 -7.568 11.456 1.00 0.00 H new ATOM 0 HA THR A 9 -15.546 -6.346 9.594 1.00 0.00 H new ATOM 0 HB THR A 9 -14.479 -5.315 12.249 1.00 0.00 H new ATOM 0 HG1 THR A 9 -16.401 -6.398 13.088 1.00 0.00 H new ATOM 0 HG21 THR A 9 -16.625 -4.123 12.384 1.00 0.00 H new ATOM 0 HG22 THR A 9 -15.683 -3.624 10.960 1.00 0.00 H new ATOM 0 HG23 THR A 9 -17.063 -4.731 10.769 1.00 0.00 H new ATOM 134 N LEU A 10 -12.550 -5.148 9.856 1.00 0.00 N ATOM 135 CA LEU A 10 -11.615 -4.162 9.342 1.00 0.00 C ATOM 136 C LEU A 10 -11.517 -4.266 7.822 1.00 0.00 C ATOM 137 O LEU A 10 -11.759 -3.293 7.112 1.00 0.00 O ATOM 138 CB LEU A 10 -10.242 -4.346 9.996 1.00 0.00 C ATOM 139 CG LEU A 10 -9.226 -3.235 9.724 1.00 0.00 C ATOM 140 CD1 LEU A 10 -9.801 -1.877 10.104 1.00 0.00 C ATOM 141 CD2 LEU A 10 -7.940 -3.499 10.496 1.00 0.00 C ATOM 0 H LEU A 10 -12.116 -5.907 10.382 1.00 0.00 H new ATOM 0 HA LEU A 10 -11.979 -3.165 9.589 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -10.381 -4.431 11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -9.820 -5.291 9.654 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.001 -3.226 8.658 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -9.063 -1.100 9.903 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.699 -1.685 9.517 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -10.053 -1.872 11.164 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.224 -2.702 10.295 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.157 -3.531 11.564 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.517 -4.454 10.183 1.00 0.00 H new ATOM 153 N TYR A 11 -11.214 -5.462 7.319 1.00 0.00 N ATOM 154 CA TYR A 11 -11.098 -5.675 5.883 1.00 0.00 C ATOM 155 C TYR A 11 -12.481 -5.639 5.258 1.00 0.00 C ATOM 156 O TYR A 11 -12.629 -5.355 4.072 1.00 0.00 O ATOM 157 CB TYR A 11 -10.379 -7.003 5.554 1.00 0.00 C ATOM 158 CG TYR A 11 -11.258 -8.247 5.545 1.00 0.00 C ATOM 159 CD1 TYR A 11 -12.005 -8.590 4.422 1.00 0.00 C ATOM 160 CD2 TYR A 11 -11.328 -9.083 6.651 1.00 0.00 C ATOM 161 CE1 TYR A 11 -12.797 -9.723 4.407 1.00 0.00 C ATOM 162 CE2 TYR A 11 -12.118 -10.219 6.642 1.00 0.00 C ATOM 163 CZ TYR A 11 -12.852 -10.534 5.520 1.00 0.00 C ATOM 164 OH TYR A 11 -13.643 -11.664 5.507 1.00 0.00 O ATOM 0 H TYR A 11 -11.046 -6.294 7.885 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.488 -4.875 5.463 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -9.908 -6.907 4.576 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.579 -7.151 6.280 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -11.965 -7.959 3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -10.755 -8.842 7.535 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.371 -9.972 3.526 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -12.159 -10.857 7.512 1.00 0.00 H new ATOM 0 HH TYR A 11 -13.569 -12.125 6.368 1.00 0.00 H new ATOM 174 N ARG A 12 -13.490 -5.932 6.076 1.00 0.00 N ATOM 175 CA ARG A 12 -14.877 -5.809 5.662 1.00 0.00 C ATOM 176 C ARG A 12 -15.128 -4.381 5.205 1.00 0.00 C ATOM 177 O ARG A 12 -15.651 -4.146 4.118 1.00 0.00 O ATOM 178 CB ARG A 12 -15.812 -6.155 6.823 1.00 0.00 C ATOM 179 CG ARG A 12 -17.252 -6.412 6.414 1.00 0.00 C ATOM 180 CD ARG A 12 -17.383 -7.708 5.632 1.00 0.00 C ATOM 181 NE ARG A 12 -16.869 -8.856 6.386 1.00 0.00 N ATOM 182 CZ ARG A 12 -17.142 -10.125 6.087 1.00 0.00 C ATOM 183 NH1 ARG A 12 -17.995 -10.411 5.110 1.00 0.00 N ATOM 184 NH2 ARG A 12 -16.590 -11.113 6.783 1.00 0.00 N ATOM 0 H ARG A 12 -13.366 -6.258 7.035 1.00 0.00 H new ATOM 0 HA ARG A 12 -15.074 -6.501 4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -15.428 -7.039 7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -15.792 -5.339 7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -17.882 -6.456 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -17.614 -5.581 5.808 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -18.430 -7.877 5.382 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -16.841 -7.620 4.690 1.00 0.00 H new ATOM 0 HE ARG A 12 -16.266 -8.672 7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -18.442 -9.658 4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -18.203 -11.383 4.883 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -15.953 -10.902 7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -16.803 -12.083 6.549 1.00 0.00 H new ATOM 198 N GLN A 13 -14.718 -3.431 6.036 1.00 0.00 N ATOM 199 CA GLN A 13 -14.833 -2.024 5.700 1.00 0.00 C ATOM 200 C GLN A 13 -13.896 -1.670 4.556 1.00 0.00 C ATOM 201 O GLN A 13 -14.252 -0.873 3.689 1.00 0.00 O ATOM 202 CB GLN A 13 -14.532 -1.147 6.915 1.00 0.00 C ATOM 203 CG GLN A 13 -15.575 -1.257 8.013 1.00 0.00 C ATOM 204 CD GLN A 13 -15.295 -0.325 9.171 1.00 0.00 C ATOM 205 OE1 GLN A 13 -14.619 -0.692 10.129 1.00 0.00 O ATOM 206 NE2 GLN A 13 -15.802 0.892 9.082 1.00 0.00 N ATOM 0 H GLN A 13 -14.302 -3.614 6.949 1.00 0.00 H new ATOM 0 HA GLN A 13 -15.859 -1.837 5.385 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -13.558 -1.423 7.320 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -14.461 -0.108 6.595 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -16.558 -1.033 7.600 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.608 -2.284 8.377 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -16.358 1.155 8.268 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.637 1.569 9.827 1.00 0.00 H new ATOM 215 N VAL A 14 -12.708 -2.278 4.538 1.00 0.00 N ATOM 216 CA VAL A 14 -11.740 -1.994 3.481 1.00 0.00 C ATOM 217 C VAL A 14 -12.307 -2.345 2.100 1.00 0.00 C ATOM 218 O VAL A 14 -12.203 -1.558 1.157 1.00 0.00 O ATOM 219 CB VAL A 14 -10.403 -2.742 3.702 1.00 0.00 C ATOM 220 CG1 VAL A 14 -9.433 -2.479 2.558 1.00 0.00 C ATOM 221 CG2 VAL A 14 -9.773 -2.331 5.023 1.00 0.00 C ATOM 0 H VAL A 14 -12.398 -2.959 5.232 1.00 0.00 H new ATOM 0 HA VAL A 14 -11.541 -0.923 3.522 1.00 0.00 H new ATOM 0 HB VAL A 14 -10.619 -3.810 3.731 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.502 -3.017 2.739 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -9.873 -2.821 1.622 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -9.228 -1.410 2.493 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.834 -2.867 5.161 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -9.581 -1.258 5.016 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -10.452 -2.572 5.841 1.00 0.00 H new ATOM 231 N ILE A 15 -12.930 -3.513 1.985 1.00 0.00 N ATOM 232 CA ILE A 15 -13.480 -3.947 0.706 1.00 0.00 C ATOM 233 C ILE A 15 -14.817 -3.258 0.407 1.00 0.00 C ATOM 234 O ILE A 15 -15.141 -2.998 -0.751 1.00 0.00 O ATOM 235 CB ILE A 15 -13.638 -5.488 0.635 1.00 0.00 C ATOM 236 CG1 ILE A 15 -14.013 -5.917 -0.788 1.00 0.00 C ATOM 237 CG2 ILE A 15 -14.679 -5.985 1.632 1.00 0.00 C ATOM 238 CD1 ILE A 15 -14.052 -7.418 -0.987 1.00 0.00 C ATOM 0 H ILE A 15 -13.066 -4.170 2.753 1.00 0.00 H new ATOM 0 HA ILE A 15 -12.763 -3.650 -0.059 1.00 0.00 H new ATOM 0 HB ILE A 15 -12.681 -5.938 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -14.990 -5.502 -1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -13.297 -5.486 -1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -14.766 -7.069 1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -14.373 -5.714 2.643 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -15.643 -5.527 1.410 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -14.325 -7.641 -2.018 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -13.070 -7.839 -0.772 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -14.790 -7.855 -0.314 1.00 0.00 H new ATOM 250 N MET A 16 -15.581 -2.943 1.448 1.00 0.00 N ATOM 251 CA MET A 16 -16.861 -2.263 1.266 1.00 0.00 C ATOM 252 C MET A 16 -16.654 -0.840 0.773 1.00 0.00 C ATOM 253 O MET A 16 -17.385 -0.365 -0.096 1.00 0.00 O ATOM 254 CB MET A 16 -17.677 -2.244 2.558 1.00 0.00 C ATOM 255 CG MET A 16 -18.375 -3.559 2.863 1.00 0.00 C ATOM 256 SD MET A 16 -19.350 -3.492 4.379 1.00 0.00 S ATOM 257 CE MET A 16 -20.071 -5.132 4.384 1.00 0.00 C ATOM 0 H MET A 16 -15.340 -3.145 2.418 1.00 0.00 H new ATOM 0 HA MET A 16 -17.417 -2.825 0.515 1.00 0.00 H new ATOM 0 HB2 MET A 16 -17.018 -1.992 3.389 1.00 0.00 H new ATOM 0 HB3 MET A 16 -18.425 -1.453 2.493 1.00 0.00 H new ATOM 0 HG2 MET A 16 -19.025 -3.823 2.029 1.00 0.00 H new ATOM 0 HG3 MET A 16 -17.630 -4.350 2.949 1.00 0.00 H new ATOM 0 HE1 MET A 16 -20.542 -5.319 5.349 1.00 0.00 H new ATOM 0 HE2 MET A 16 -20.820 -5.203 3.595 1.00 0.00 H new ATOM 0 HE3 MET A 16 -19.291 -5.873 4.211 1.00 0.00 H new ATOM 267 N ASP A 17 -15.652 -0.165 1.323 1.00 0.00 N ATOM 268 CA ASP A 17 -15.326 1.188 0.893 1.00 0.00 C ATOM 269 C ASP A 17 -14.855 1.157 -0.553 1.00 0.00 C ATOM 270 O ASP A 17 -15.138 2.060 -1.337 1.00 0.00 O ATOM 271 CB ASP A 17 -14.242 1.796 1.787 1.00 0.00 C ATOM 272 CG ASP A 17 -14.176 3.306 1.679 1.00 0.00 C ATOM 273 OD1 ASP A 17 -13.522 3.822 0.751 1.00 0.00 O ATOM 274 OD2 ASP A 17 -14.794 3.984 2.528 1.00 0.00 O ATOM 0 H ASP A 17 -15.054 -0.531 2.064 1.00 0.00 H new ATOM 0 HA ASP A 17 -16.218 1.809 0.973 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -14.433 1.518 2.823 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.274 1.374 1.517 1.00 0.00 H new ATOM 279 N HIS A 18 -14.167 0.079 -0.903 1.00 0.00 N ATOM 280 CA HIS A 18 -13.669 -0.111 -2.258 1.00 0.00 C ATOM 281 C HIS A 18 -14.824 -0.407 -3.218 1.00 0.00 C ATOM 282 O HIS A 18 -14.699 -0.237 -4.427 1.00 0.00 O ATOM 283 CB HIS A 18 -12.658 -1.260 -2.288 1.00 0.00 C ATOM 284 CG HIS A 18 -11.823 -1.304 -3.531 1.00 0.00 C ATOM 285 ND1 HIS A 18 -12.166 -2.026 -4.655 1.00 0.00 N ATOM 286 CD2 HIS A 18 -10.642 -0.709 -3.819 1.00 0.00 C ATOM 287 CE1 HIS A 18 -11.231 -1.876 -5.572 1.00 0.00 C ATOM 288 NE2 HIS A 18 -10.295 -1.083 -5.091 1.00 0.00 N ATOM 0 H HIS A 18 -13.940 -0.682 -0.263 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.177 0.807 -2.578 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -12.000 -1.174 -1.423 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -13.193 -2.204 -2.189 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -10.077 -0.059 -3.167 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -11.232 -2.327 -6.553 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -9.450 -0.795 -5.585 1.00 0.00 H new ATOM 297 N TYR A 19 -15.943 -0.870 -2.674 1.00 0.00 N ATOM 298 CA TYR A 19 -17.118 -1.154 -3.485 1.00 0.00 C ATOM 299 C TYR A 19 -17.965 0.101 -3.676 1.00 0.00 C ATOM 300 O TYR A 19 -18.632 0.262 -4.698 1.00 0.00 O ATOM 301 CB TYR A 19 -17.958 -2.259 -2.851 1.00 0.00 C ATOM 302 CG TYR A 19 -19.159 -2.638 -3.686 1.00 0.00 C ATOM 303 CD1 TYR A 19 -19.004 -3.300 -4.898 1.00 0.00 C ATOM 304 CD2 TYR A 19 -20.444 -2.312 -3.275 1.00 0.00 C ATOM 305 CE1 TYR A 19 -20.096 -3.621 -5.678 1.00 0.00 C ATOM 306 CE2 TYR A 19 -21.541 -2.638 -4.047 1.00 0.00 C ATOM 307 CZ TYR A 19 -21.362 -3.290 -5.248 1.00 0.00 C ATOM 308 OH TYR A 19 -22.453 -3.593 -6.029 1.00 0.00 O ATOM 0 H TYR A 19 -16.060 -1.056 -1.678 1.00 0.00 H new ATOM 0 HA TYR A 19 -16.774 -1.492 -4.462 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -17.335 -3.140 -2.699 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -18.294 -1.933 -1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -18.013 -3.567 -5.235 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -20.588 -1.796 -2.337 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -19.959 -4.129 -6.621 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -22.535 -2.383 -3.711 1.00 0.00 H new ATOM 0 HH TYR A 19 -23.271 -3.293 -5.580 1.00 0.00 H new ATOM 318 N LYS A 20 -17.948 0.984 -2.681 1.00 0.00 N ATOM 319 CA LYS A 20 -18.643 2.263 -2.792 1.00 0.00 C ATOM 320 C LYS A 20 -17.970 3.134 -3.843 1.00 0.00 C ATOM 321 O LYS A 20 -18.578 4.048 -4.398 1.00 0.00 O ATOM 322 CB LYS A 20 -18.683 2.981 -1.441 1.00 0.00 C ATOM 323 CG LYS A 20 -19.784 2.476 -0.522 1.00 0.00 C ATOM 324 CD LYS A 20 -21.158 2.817 -1.081 1.00 0.00 C ATOM 325 CE LYS A 20 -22.280 2.333 -0.175 1.00 0.00 C ATOM 326 NZ LYS A 20 -22.376 0.849 -0.140 1.00 0.00 N ATOM 0 H LYS A 20 -17.464 0.839 -1.795 1.00 0.00 H new ATOM 0 HA LYS A 20 -19.671 2.073 -3.101 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -17.721 2.859 -0.944 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -18.822 4.049 -1.609 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -19.694 1.397 -0.400 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -19.669 2.919 0.467 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -21.238 3.896 -1.212 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -21.270 2.367 -2.068 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -22.116 2.708 0.835 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -23.227 2.748 -0.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -23.205 0.568 0.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -22.474 0.485 -1.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -21.516 0.456 0.292 1.00 0.00 H new ATOM 340 N ASN A 21 -16.715 2.817 -4.116 1.00 0.00 N ATOM 341 CA ASN A 21 -15.967 3.449 -5.195 1.00 0.00 C ATOM 342 C ASN A 21 -15.355 2.371 -6.078 1.00 0.00 C ATOM 343 O ASN A 21 -14.178 2.035 -5.941 1.00 0.00 O ATOM 344 CB ASN A 21 -14.875 4.380 -4.648 1.00 0.00 C ATOM 345 CG ASN A 21 -15.411 5.743 -4.248 1.00 0.00 C ATOM 346 OD1 ASN A 21 -15.438 6.673 -5.055 1.00 0.00 O ATOM 347 ND2 ASN A 21 -15.829 5.879 -3.000 1.00 0.00 N ATOM 0 H ASN A 21 -16.185 2.116 -3.598 1.00 0.00 H new ATOM 0 HA ASN A 21 -16.651 4.060 -5.784 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -14.404 3.912 -3.784 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -14.100 4.507 -5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.189 6.777 -2.678 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -15.791 5.086 -2.360 1.00 0.00 H new ATOM 354 N PRO A 22 -16.166 1.796 -6.985 1.00 0.00 N ATOM 355 CA PRO A 22 -15.787 0.620 -7.770 1.00 0.00 C ATOM 356 C PRO A 22 -14.777 0.936 -8.869 1.00 0.00 C ATOM 357 O PRO A 22 -15.104 0.946 -10.057 1.00 0.00 O ATOM 358 CB PRO A 22 -17.111 0.135 -8.382 1.00 0.00 C ATOM 359 CG PRO A 22 -18.183 0.987 -7.782 1.00 0.00 C ATOM 360 CD PRO A 22 -17.518 2.251 -7.324 1.00 0.00 C ATOM 0 HA PRO A 22 -15.295 -0.126 -7.145 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -17.097 0.233 -9.467 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -17.280 -0.918 -8.159 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -18.962 1.202 -8.513 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -18.662 0.476 -6.947 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -17.506 3.009 -8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -18.026 2.688 -6.464 1.00 0.00 H new ATOM 368 N ARG A 23 -13.552 1.210 -8.461 1.00 0.00 N ATOM 369 CA ARG A 23 -12.463 1.435 -9.390 1.00 0.00 C ATOM 370 C ARG A 23 -11.231 0.668 -8.942 1.00 0.00 C ATOM 371 O ARG A 23 -10.785 0.799 -7.802 1.00 0.00 O ATOM 372 CB ARG A 23 -12.158 2.930 -9.521 1.00 0.00 C ATOM 373 CG ARG A 23 -13.162 3.669 -10.388 1.00 0.00 C ATOM 374 CD ARG A 23 -12.792 5.129 -10.569 1.00 0.00 C ATOM 375 NE ARG A 23 -13.445 5.707 -11.740 1.00 0.00 N ATOM 376 CZ ARG A 23 -13.228 6.941 -12.190 1.00 0.00 C ATOM 377 NH1 ARG A 23 -12.479 7.794 -11.497 1.00 0.00 N ATOM 378 NH2 ARG A 23 -13.792 7.323 -13.327 1.00 0.00 N ATOM 0 H ARG A 23 -13.285 1.282 -7.479 1.00 0.00 H new ATOM 0 HA ARG A 23 -12.762 1.070 -10.373 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -12.143 3.380 -8.528 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -11.161 3.056 -9.943 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -13.222 3.187 -11.364 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -14.152 3.599 -9.936 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -13.076 5.690 -9.679 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -11.711 5.221 -10.672 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.112 5.126 -12.248 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.064 7.505 -10.611 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.319 8.737 -11.851 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -14.384 6.674 -13.846 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.634 8.266 -13.683 1.00 0.00 H new ATOM 392 N ASN A 24 -10.704 -0.145 -9.842 1.00 0.00 N ATOM 393 CA ASN A 24 -9.560 -0.976 -9.571 1.00 0.00 C ATOM 394 C ASN A 24 -9.053 -1.514 -10.891 1.00 0.00 C ATOM 395 O ASN A 24 -9.814 -1.621 -11.854 1.00 0.00 O ATOM 396 CB ASN A 24 -9.927 -2.129 -8.624 1.00 0.00 C ATOM 397 CG ASN A 24 -8.719 -2.944 -8.187 1.00 0.00 C ATOM 398 OD1 ASN A 24 -7.596 -2.448 -8.163 1.00 0.00 O ATOM 399 ND2 ASN A 24 -8.949 -4.191 -7.806 1.00 0.00 N ATOM 0 H ASN A 24 -11.068 -0.242 -10.790 1.00 0.00 H new ATOM 0 HA ASN A 24 -8.785 -0.389 -9.078 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -10.424 -1.724 -7.742 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -10.642 -2.786 -9.119 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -8.179 -4.774 -7.478 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -9.896 -4.568 -7.840 1.00 0.00 H new ATOM 406 N LYS A 25 -7.768 -1.794 -10.926 1.00 0.00 N ATOM 407 CA LYS A 25 -7.101 -2.366 -12.089 1.00 0.00 C ATOM 408 C LYS A 25 -6.962 -1.327 -13.201 1.00 0.00 C ATOM 409 O LYS A 25 -7.881 -1.106 -13.991 1.00 0.00 O ATOM 410 CB LYS A 25 -7.839 -3.616 -12.584 1.00 0.00 C ATOM 411 CG LYS A 25 -7.098 -4.378 -13.666 1.00 0.00 C ATOM 412 CD LYS A 25 -7.901 -5.569 -14.159 1.00 0.00 C ATOM 413 CE LYS A 25 -7.135 -6.367 -15.203 1.00 0.00 C ATOM 414 NZ LYS A 25 -6.649 -5.507 -16.314 1.00 0.00 N ATOM 0 H LYS A 25 -7.142 -1.630 -10.137 1.00 0.00 H new ATOM 0 HA LYS A 25 -6.098 -2.670 -11.790 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -8.013 -4.282 -11.739 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.817 -3.322 -12.965 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -6.885 -3.711 -14.501 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.138 -4.720 -13.279 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.150 -6.215 -13.317 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.843 -5.223 -14.584 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.287 -6.863 -14.730 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -7.778 -7.150 -15.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.474 -6.093 -17.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.367 -4.788 -16.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -5.765 -5.038 -16.029 1.00 0.00 H new ATOM 428 N GLY A 26 -5.813 -0.670 -13.224 1.00 0.00 N ATOM 429 CA GLY A 26 -5.518 0.311 -14.248 1.00 0.00 C ATOM 430 C GLY A 26 -4.022 0.474 -14.415 1.00 0.00 C ATOM 431 O GLY A 26 -3.262 0.070 -13.535 1.00 0.00 O ATOM 0 H GLY A 26 -5.068 -0.802 -12.540 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.963 0.002 -15.194 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -5.966 1.268 -13.982 1.00 0.00 H new ATOM 435 N VAL A 27 -3.592 1.060 -15.525 1.00 0.00 N ATOM 436 CA VAL A 27 -2.171 1.191 -15.810 1.00 0.00 C ATOM 437 C VAL A 27 -1.863 2.582 -16.353 1.00 0.00 C ATOM 438 O VAL A 27 -2.396 2.994 -17.388 1.00 0.00 O ATOM 439 CB VAL A 27 -1.687 0.127 -16.826 1.00 0.00 C ATOM 440 CG1 VAL A 27 -0.195 0.271 -17.091 1.00 0.00 C ATOM 441 CG2 VAL A 27 -2.004 -1.282 -16.341 1.00 0.00 C ATOM 0 H VAL A 27 -4.206 1.451 -16.240 1.00 0.00 H new ATOM 0 HA VAL A 27 -1.640 1.035 -14.871 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.223 0.294 -17.760 1.00 0.00 H new ATOM 0 HG11 VAL A 27 0.122 -0.487 -17.807 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.008 1.262 -17.497 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.354 0.141 -16.159 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.652 -2.007 -17.075 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.506 -1.459 -15.388 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -3.081 -1.389 -16.213 1.00 0.00 H new ATOM 451 N LEU A 28 -1.021 3.306 -15.642 1.00 0.00 N ATOM 452 CA LEU A 28 -0.623 4.640 -16.046 1.00 0.00 C ATOM 453 C LEU A 28 0.870 4.661 -16.359 1.00 0.00 C ATOM 454 O LEU A 28 1.708 4.692 -15.457 1.00 0.00 O ATOM 455 CB LEU A 28 -0.952 5.631 -14.926 1.00 0.00 C ATOM 456 CG LEU A 28 -1.259 7.063 -15.367 1.00 0.00 C ATOM 457 CD1 LEU A 28 -1.728 7.882 -14.178 1.00 0.00 C ATOM 458 CD2 LEU A 28 -0.046 7.710 -16.008 1.00 0.00 C ATOM 0 H LEU A 28 -0.595 2.988 -14.772 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.169 4.929 -16.944 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.810 5.251 -14.372 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.111 5.658 -14.233 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.053 7.029 -16.113 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.945 8.900 -14.500 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -2.630 7.434 -13.761 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.947 7.900 -13.418 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.294 8.727 -16.312 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.775 7.735 -15.291 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.254 7.133 -16.883 1.00 0.00 H new ATOM 470 N ASN A 29 1.202 4.625 -17.637 1.00 0.00 N ATOM 471 CA ASN A 29 2.593 4.630 -18.056 1.00 0.00 C ATOM 472 C ASN A 29 3.092 6.057 -18.185 1.00 0.00 C ATOM 473 O ASN A 29 2.678 6.787 -19.090 1.00 0.00 O ATOM 474 CB ASN A 29 2.767 3.897 -19.391 1.00 0.00 C ATOM 475 CG ASN A 29 2.432 2.421 -19.302 1.00 0.00 C ATOM 476 OD1 ASN A 29 3.285 1.597 -18.968 1.00 0.00 O ATOM 477 ND2 ASN A 29 1.192 2.073 -19.609 1.00 0.00 N ATOM 0 H ASN A 29 0.529 4.592 -18.402 1.00 0.00 H new ATOM 0 HA ASN A 29 3.178 4.109 -17.298 1.00 0.00 H new ATOM 0 HB2 ASN A 29 2.130 4.364 -20.142 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.796 4.011 -19.731 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.914 1.092 -19.574 1.00 0.00 H new ATOM 0 HD22 ASN A 29 0.515 2.786 -19.881 1.00 0.00 H new ATOM 484 N ASP A 30 3.955 6.465 -17.264 1.00 0.00 N ATOM 485 CA ASP A 30 4.517 7.808 -17.295 1.00 0.00 C ATOM 486 C ASP A 30 5.886 7.853 -16.626 1.00 0.00 C ATOM 487 O ASP A 30 6.910 7.972 -17.298 1.00 0.00 O ATOM 488 CB ASP A 30 3.582 8.808 -16.609 1.00 0.00 C ATOM 489 CG ASP A 30 4.129 10.222 -16.644 1.00 0.00 C ATOM 490 OD1 ASP A 30 3.886 10.932 -17.645 1.00 0.00 O ATOM 491 OD2 ASP A 30 4.806 10.628 -15.674 1.00 0.00 O ATOM 0 H ASP A 30 4.280 5.887 -16.489 1.00 0.00 H new ATOM 0 HA ASP A 30 4.631 8.085 -18.343 1.00 0.00 H new ATOM 0 HB2 ASP A 30 2.608 8.785 -17.097 1.00 0.00 H new ATOM 0 HB3 ASP A 30 3.427 8.506 -15.573 1.00 0.00 H new ATOM 496 N SER A 31 5.902 7.758 -15.302 1.00 0.00 N ATOM 497 CA SER A 31 7.141 7.900 -14.553 1.00 0.00 C ATOM 498 C SER A 31 7.544 6.598 -13.863 1.00 0.00 C ATOM 499 O SER A 31 8.496 5.938 -14.281 1.00 0.00 O ATOM 500 CB SER A 31 7.008 9.041 -13.544 1.00 0.00 C ATOM 501 OG SER A 31 5.644 9.364 -13.326 1.00 0.00 O ATOM 0 H SER A 31 5.076 7.584 -14.729 1.00 0.00 H new ATOM 0 HA SER A 31 7.937 8.140 -15.257 1.00 0.00 H new ATOM 0 HB2 SER A 31 7.474 8.755 -12.601 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.541 9.919 -13.909 1.00 0.00 H new ATOM 0 HG SER A 31 5.293 9.844 -14.105 1.00 0.00 H new ATOM 507 N ILE A 32 6.828 6.208 -12.815 1.00 0.00 N ATOM 508 CA ILE A 32 7.185 4.993 -12.089 1.00 0.00 C ATOM 509 C ILE A 32 6.187 3.865 -12.341 1.00 0.00 C ATOM 510 O ILE A 32 4.976 4.036 -12.190 1.00 0.00 O ATOM 511 CB ILE A 32 7.323 5.235 -10.571 1.00 0.00 C ATOM 512 CG1 ILE A 32 6.041 5.830 -9.989 1.00 0.00 C ATOM 513 CG2 ILE A 32 8.507 6.149 -10.293 1.00 0.00 C ATOM 514 CD1 ILE A 32 6.045 5.917 -8.480 1.00 0.00 C ATOM 0 H ILE A 32 6.013 6.703 -12.454 1.00 0.00 H new ATOM 0 HA ILE A 32 8.158 4.691 -12.476 1.00 0.00 H new ATOM 0 HB ILE A 32 7.496 4.274 -10.087 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.894 6.828 -10.402 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.192 5.225 -10.307 1.00 0.00 H new ATOM 0 HG21 ILE A 32 8.595 6.313 -9.219 1.00 0.00 H new ATOM 0 HG22 ILE A 32 9.420 5.685 -10.666 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.355 7.105 -10.795 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.104 6.349 -8.138 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.161 4.919 -8.058 1.00 0.00 H new ATOM 0 HD13 ILE A 32 6.873 6.547 -8.154 1.00 0.00 H new ATOM 526 N VAL A 33 6.714 2.715 -12.743 1.00 0.00 N ATOM 527 CA VAL A 33 5.907 1.529 -12.996 1.00 0.00 C ATOM 528 C VAL A 33 6.453 0.347 -12.198 1.00 0.00 C ATOM 529 O VAL A 33 7.501 -0.210 -12.539 1.00 0.00 O ATOM 530 CB VAL A 33 5.898 1.165 -14.499 1.00 0.00 C ATOM 531 CG1 VAL A 33 5.100 -0.106 -14.750 1.00 0.00 C ATOM 532 CG2 VAL A 33 5.348 2.316 -15.330 1.00 0.00 C ATOM 0 H VAL A 33 7.712 2.579 -12.903 1.00 0.00 H new ATOM 0 HA VAL A 33 4.886 1.749 -12.685 1.00 0.00 H new ATOM 0 HB VAL A 33 6.928 0.982 -14.805 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.111 -0.338 -15.815 1.00 0.00 H new ATOM 0 HG12 VAL A 33 5.546 -0.931 -14.194 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.071 0.039 -14.421 1.00 0.00 H new ATOM 0 HG21 VAL A 33 5.351 2.038 -16.384 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.328 2.537 -15.016 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.971 3.199 -15.186 1.00 0.00 H new ATOM 542 N VAL A 34 5.762 -0.011 -11.126 1.00 0.00 N ATOM 543 CA VAL A 34 6.191 -1.107 -10.266 1.00 0.00 C ATOM 544 C VAL A 34 5.040 -2.077 -10.017 1.00 0.00 C ATOM 545 O VAL A 34 4.040 -1.717 -9.404 1.00 0.00 O ATOM 546 CB VAL A 34 6.715 -0.587 -8.904 1.00 0.00 C ATOM 547 CG1 VAL A 34 7.106 -1.743 -7.996 1.00 0.00 C ATOM 548 CG2 VAL A 34 7.895 0.356 -9.099 1.00 0.00 C ATOM 0 H VAL A 34 4.898 0.443 -10.829 1.00 0.00 H new ATOM 0 HA VAL A 34 7.001 -1.622 -10.782 1.00 0.00 H new ATOM 0 HB VAL A 34 5.907 -0.032 -8.426 1.00 0.00 H new ATOM 0 HG11 VAL A 34 7.471 -1.352 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.237 -2.376 -7.818 1.00 0.00 H new ATOM 0 HG13 VAL A 34 7.891 -2.330 -8.472 1.00 0.00 H new ATOM 0 HG21 VAL A 34 8.244 0.707 -8.128 1.00 0.00 H new ATOM 0 HG22 VAL A 34 8.703 -0.172 -9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 34 7.584 1.209 -9.703 1.00 0.00 H new ATOM 558 N ASP A 35 5.167 -3.301 -10.509 1.00 0.00 N ATOM 559 CA ASP A 35 4.155 -4.314 -10.250 1.00 0.00 C ATOM 560 C ASP A 35 4.715 -5.439 -9.392 1.00 0.00 C ATOM 561 O ASP A 35 5.923 -5.685 -9.382 1.00 0.00 O ATOM 562 CB ASP A 35 3.548 -4.863 -11.549 1.00 0.00 C ATOM 563 CG ASP A 35 4.536 -5.546 -12.475 1.00 0.00 C ATOM 564 OD1 ASP A 35 4.760 -6.762 -12.315 1.00 0.00 O ATOM 565 OD2 ASP A 35 5.036 -4.882 -13.409 1.00 0.00 O ATOM 0 H ASP A 35 5.950 -3.614 -11.083 1.00 0.00 H new ATOM 0 HA ASP A 35 3.350 -3.831 -9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.761 -5.572 -11.294 1.00 0.00 H new ATOM 0 HB3 ASP A 35 3.075 -4.042 -12.088 1.00 0.00 H new ATOM 570 N MET A 36 3.828 -6.109 -8.660 1.00 0.00 N ATOM 571 CA MET A 36 4.220 -7.137 -7.719 1.00 0.00 C ATOM 572 C MET A 36 3.222 -8.278 -7.780 1.00 0.00 C ATOM 573 O MET A 36 2.017 -8.077 -7.632 1.00 0.00 O ATOM 574 CB MET A 36 4.299 -6.570 -6.299 1.00 0.00 C ATOM 575 CG MET A 36 4.674 -7.603 -5.245 1.00 0.00 C ATOM 576 SD MET A 36 6.246 -8.418 -5.589 1.00 0.00 S ATOM 577 CE MET A 36 6.341 -9.564 -4.213 1.00 0.00 C ATOM 0 H MET A 36 2.822 -5.950 -8.707 1.00 0.00 H new ATOM 0 HA MET A 36 5.210 -7.507 -7.987 1.00 0.00 H new ATOM 0 HB2 MET A 36 5.031 -5.763 -6.280 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.335 -6.132 -6.038 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.728 -7.117 -4.271 1.00 0.00 H new ATOM 0 HG3 MET A 36 3.887 -8.354 -5.184 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.262 -10.143 -4.285 1.00 0.00 H new ATOM 0 HE2 MET A 36 6.334 -9.008 -3.275 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.485 -10.238 -4.241 1.00 0.00 H new ATOM 587 N ASN A 37 3.731 -9.461 -8.048 1.00 0.00 N ATOM 588 CA ASN A 37 2.896 -10.651 -8.195 1.00 0.00 C ATOM 589 C ASN A 37 3.093 -11.608 -7.024 1.00 0.00 C ATOM 590 O ASN A 37 4.159 -11.641 -6.408 1.00 0.00 O ATOM 591 CB ASN A 37 3.227 -11.399 -9.499 1.00 0.00 C ATOM 592 CG ASN A 37 2.826 -10.663 -10.770 1.00 0.00 C ATOM 593 OD1 ASN A 37 2.468 -11.288 -11.766 1.00 0.00 O ATOM 594 ND2 ASN A 37 2.908 -9.343 -10.762 1.00 0.00 N ATOM 0 H ASN A 37 4.729 -9.633 -8.171 1.00 0.00 H new ATOM 0 HA ASN A 37 1.860 -10.313 -8.219 1.00 0.00 H new ATOM 0 HB2 ASN A 37 4.299 -11.592 -9.530 1.00 0.00 H new ATOM 0 HB3 ASN A 37 2.729 -12.368 -9.483 1.00 0.00 H new ATOM 0 HD21 ASN A 37 2.670 -8.812 -11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 37 3.209 -8.856 -9.918 1.00 0.00 H new ATOM 601 N ASN A 38 2.060 -12.384 -6.722 1.00 0.00 N ATOM 602 CA ASN A 38 2.168 -13.489 -5.789 1.00 0.00 C ATOM 603 C ASN A 38 1.750 -14.743 -6.538 1.00 0.00 C ATOM 604 O ASN A 38 0.591 -15.148 -6.478 1.00 0.00 O ATOM 605 CB ASN A 38 1.284 -13.255 -4.546 1.00 0.00 C ATOM 606 CG ASN A 38 1.385 -14.357 -3.494 1.00 0.00 C ATOM 607 OD1 ASN A 38 1.601 -15.529 -3.805 1.00 0.00 O ATOM 608 ND2 ASN A 38 1.214 -13.988 -2.229 1.00 0.00 N ATOM 0 H ASN A 38 1.128 -12.263 -7.118 1.00 0.00 H new ATOM 0 HA ASN A 38 3.190 -13.587 -5.423 1.00 0.00 H new ATOM 0 HB2 ASN A 38 1.562 -12.305 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 38 0.245 -13.165 -4.864 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.260 -14.683 -1.484 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.037 -13.009 -2.003 1.00 0.00 H new ATOM 615 N PRO A 39 2.685 -15.342 -7.294 1.00 0.00 N ATOM 616 CA PRO A 39 2.390 -16.454 -8.210 1.00 0.00 C ATOM 617 C PRO A 39 1.896 -17.705 -7.494 1.00 0.00 C ATOM 618 O PRO A 39 1.506 -18.683 -8.130 1.00 0.00 O ATOM 619 CB PRO A 39 3.732 -16.727 -8.902 1.00 0.00 C ATOM 620 CG PRO A 39 4.557 -15.510 -8.656 1.00 0.00 C ATOM 621 CD PRO A 39 4.111 -14.981 -7.327 1.00 0.00 C ATOM 0 HA PRO A 39 1.585 -16.194 -8.898 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.212 -17.616 -8.493 1.00 0.00 H new ATOM 0 HB3 PRO A 39 3.596 -16.901 -9.969 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.620 -15.753 -8.644 1.00 0.00 H new ATOM 0 HG3 PRO A 39 4.408 -14.770 -9.442 1.00 0.00 H new ATOM 0 HD2 PRO A 39 4.663 -15.437 -6.505 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.257 -13.904 -7.251 1.00 0.00 H new ATOM 629 N THR A 40 1.929 -17.679 -6.175 1.00 0.00 N ATOM 630 CA THR A 40 1.372 -18.757 -5.385 1.00 0.00 C ATOM 631 C THR A 40 -0.125 -18.533 -5.157 1.00 0.00 C ATOM 632 O THR A 40 -0.936 -19.451 -5.284 1.00 0.00 O ATOM 633 CB THR A 40 2.083 -18.855 -4.025 1.00 0.00 C ATOM 634 OG1 THR A 40 3.498 -19.009 -4.215 1.00 0.00 O ATOM 635 CG2 THR A 40 1.545 -20.023 -3.214 1.00 0.00 C ATOM 0 H THR A 40 2.337 -16.921 -5.628 1.00 0.00 H new ATOM 0 HA THR A 40 1.519 -19.687 -5.934 1.00 0.00 H new ATOM 0 HB THR A 40 1.891 -17.933 -3.476 1.00 0.00 H new ATOM 0 HG1 THR A 40 3.941 -19.069 -3.343 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.064 -20.071 -2.257 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.478 -19.885 -3.042 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.707 -20.951 -3.761 1.00 0.00 H new ATOM 643 N CYS A 41 -0.484 -17.296 -4.846 1.00 0.00 N ATOM 644 CA CYS A 41 -1.847 -16.978 -4.453 1.00 0.00 C ATOM 645 C CYS A 41 -2.641 -16.380 -5.619 1.00 0.00 C ATOM 646 O CYS A 41 -3.869 -16.455 -5.642 1.00 0.00 O ATOM 647 CB CYS A 41 -1.817 -16.027 -3.255 1.00 0.00 C ATOM 648 SG CYS A 41 -3.431 -15.671 -2.520 1.00 0.00 S ATOM 0 H CYS A 41 0.150 -16.497 -4.858 1.00 0.00 H new ATOM 0 HA CYS A 41 -2.356 -17.898 -4.165 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -1.171 -16.454 -2.488 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.362 -15.087 -3.568 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.349 -14.597 -1.792 1.00 0.00 H new ATOM 654 N GLY A 42 -1.946 -15.772 -6.580 1.00 0.00 N ATOM 655 CA GLY A 42 -2.608 -15.302 -7.785 1.00 0.00 C ATOM 656 C GLY A 42 -2.749 -13.794 -7.823 1.00 0.00 C ATOM 657 O GLY A 42 -3.307 -13.238 -8.765 1.00 0.00 O ATOM 0 H GLY A 42 -0.942 -15.598 -6.545 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -2.044 -15.632 -8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -3.596 -15.757 -7.853 1.00 0.00 H new ATOM 661 N ASP A 43 -2.261 -13.138 -6.781 1.00 0.00 N ATOM 662 CA ASP A 43 -2.299 -11.686 -6.695 1.00 0.00 C ATOM 663 C ASP A 43 -1.329 -11.055 -7.690 1.00 0.00 C ATOM 664 O ASP A 43 -0.268 -11.613 -7.978 1.00 0.00 O ATOM 665 CB ASP A 43 -1.945 -11.240 -5.276 1.00 0.00 C ATOM 666 CG ASP A 43 -2.659 -12.055 -4.224 1.00 0.00 C ATOM 667 OD1 ASP A 43 -2.228 -13.161 -3.884 1.00 0.00 O ATOM 668 OD2 ASP A 43 -3.698 -11.652 -3.712 1.00 0.00 O ATOM 0 H ASP A 43 -1.830 -13.593 -5.976 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.308 -11.355 -6.940 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.868 -11.324 -5.129 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -2.202 -10.188 -5.154 1.00 0.00 H new ATOM 673 N ARG A 44 -1.710 -9.906 -8.221 1.00 0.00 N ATOM 674 CA ARG A 44 -0.874 -9.153 -9.138 1.00 0.00 C ATOM 675 C ARG A 44 -1.255 -7.686 -9.058 1.00 0.00 C ATOM 676 O ARG A 44 -2.369 -7.327 -9.416 1.00 0.00 O ATOM 677 CB ARG A 44 -1.077 -9.649 -10.572 1.00 0.00 C ATOM 678 CG ARG A 44 -0.278 -8.872 -11.604 1.00 0.00 C ATOM 679 CD ARG A 44 -0.755 -9.163 -13.016 1.00 0.00 C ATOM 680 NE ARG A 44 -0.802 -10.594 -13.303 1.00 0.00 N ATOM 681 CZ ARG A 44 0.012 -11.208 -14.155 1.00 0.00 C ATOM 682 NH1 ARG A 44 0.960 -10.520 -14.779 1.00 0.00 N ATOM 683 NH2 ARG A 44 -0.124 -12.508 -14.384 1.00 0.00 N ATOM 0 H ARG A 44 -2.611 -9.468 -8.027 1.00 0.00 H new ATOM 0 HA ARG A 44 0.172 -9.288 -8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.798 -10.701 -10.626 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.136 -9.586 -10.823 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.364 -7.804 -11.403 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.778 -9.129 -11.516 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -1.747 -8.734 -13.157 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.092 -8.674 -13.729 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.502 -11.157 -12.820 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.063 -9.520 -14.604 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.585 -10.991 -15.433 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.854 -13.036 -13.906 1.00 0.00 H new ATOM 0 HH22 ARG A 44 0.501 -12.979 -15.038 1.00 0.00 H new ATOM 697 N ILE A 45 -0.355 -6.843 -8.580 1.00 0.00 N ATOM 698 CA ILE A 45 -0.664 -5.428 -8.456 1.00 0.00 C ATOM 699 C ILE A 45 0.333 -4.596 -9.240 1.00 0.00 C ATOM 700 O ILE A 45 1.507 -4.526 -8.886 1.00 0.00 O ATOM 701 CB ILE A 45 -0.684 -4.962 -6.983 1.00 0.00 C ATOM 702 CG1 ILE A 45 -1.788 -5.692 -6.211 1.00 0.00 C ATOM 703 CG2 ILE A 45 -0.888 -3.454 -6.902 1.00 0.00 C ATOM 704 CD1 ILE A 45 -1.882 -5.289 -4.755 1.00 0.00 C ATOM 0 H ILE A 45 0.582 -7.108 -8.276 1.00 0.00 H new ATOM 0 HA ILE A 45 -1.664 -5.284 -8.866 1.00 0.00 H new ATOM 0 HB ILE A 45 0.278 -5.204 -6.530 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -2.746 -5.499 -6.695 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.611 -6.766 -6.271 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.899 -3.144 -5.857 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.074 -2.948 -7.422 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.837 -3.190 -7.369 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.685 -5.847 -4.274 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.938 -5.508 -4.255 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.090 -4.221 -4.686 1.00 0.00 H new ATOM 716 N ARG A 46 -0.133 -3.999 -10.325 1.00 0.00 N ATOM 717 CA ARG A 46 0.693 -3.097 -11.103 1.00 0.00 C ATOM 718 C ARG A 46 0.454 -1.666 -10.653 1.00 0.00 C ATOM 719 O ARG A 46 -0.610 -1.101 -10.890 1.00 0.00 O ATOM 720 CB ARG A 46 0.409 -3.233 -12.602 1.00 0.00 C ATOM 721 CG ARG A 46 0.534 -4.655 -13.127 1.00 0.00 C ATOM 722 CD ARG A 46 0.863 -4.669 -14.611 1.00 0.00 C ATOM 723 NE ARG A 46 2.217 -4.175 -14.872 1.00 0.00 N ATOM 724 CZ ARG A 46 2.551 -3.423 -15.918 1.00 0.00 C ATOM 725 NH1 ARG A 46 1.632 -3.043 -16.798 1.00 0.00 N ATOM 726 NH2 ARG A 46 3.814 -3.055 -16.085 1.00 0.00 N ATOM 0 H ARG A 46 -1.079 -4.124 -10.685 1.00 0.00 H new ATOM 0 HA ARG A 46 1.737 -3.361 -10.936 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -0.598 -2.868 -12.805 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.098 -2.591 -13.152 1.00 0.00 H new ATOM 0 HG2 ARG A 46 1.312 -5.182 -12.575 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.399 -5.192 -12.954 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.766 -5.684 -14.995 1.00 0.00 H new ATOM 0 HD3 ARG A 46 0.142 -4.054 -15.149 1.00 0.00 H new ATOM 0 HE ARG A 46 2.951 -4.423 -14.209 1.00 0.00 H new ATOM 0 HH11 ARG A 46 0.660 -3.327 -16.675 1.00 0.00 H new ATOM 0 HH12 ARG A 46 1.898 -2.467 -17.596 1.00 0.00 H new ATOM 0 HH21 ARG A 46 4.524 -3.348 -15.414 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.076 -2.479 -16.885 1.00 0.00 H new ATOM 740 N LEU A 47 1.446 -1.099 -9.996 1.00 0.00 N ATOM 741 CA LEU A 47 1.356 0.234 -9.458 1.00 0.00 C ATOM 742 C LEU A 47 2.048 1.201 -10.396 1.00 0.00 C ATOM 743 O LEU A 47 3.277 1.248 -10.481 1.00 0.00 O ATOM 744 CB LEU A 47 1.987 0.288 -8.066 1.00 0.00 C ATOM 745 CG LEU A 47 1.933 1.649 -7.380 1.00 0.00 C ATOM 746 CD1 LEU A 47 0.492 2.119 -7.247 1.00 0.00 C ATOM 747 CD2 LEU A 47 2.608 1.579 -6.017 1.00 0.00 C ATOM 0 H LEU A 47 2.341 -1.557 -9.822 1.00 0.00 H new ATOM 0 HA LEU A 47 0.308 0.517 -9.365 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.487 -0.442 -7.429 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.030 -0.020 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 47 2.471 2.372 -7.992 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.470 3.092 -6.755 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.044 2.203 -8.237 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.072 1.400 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.563 2.557 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.095 0.846 -5.394 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.650 1.284 -6.142 1.00 0.00 H new ATOM 759 N THR A 48 1.248 1.941 -11.124 1.00 0.00 N ATOM 760 CA THR A 48 1.760 2.881 -12.090 1.00 0.00 C ATOM 761 C THR A 48 1.389 4.300 -11.684 1.00 0.00 C ATOM 762 O THR A 48 0.241 4.715 -11.821 1.00 0.00 O ATOM 763 CB THR A 48 1.221 2.551 -13.490 1.00 0.00 C ATOM 764 OG1 THR A 48 -0.159 2.166 -13.409 1.00 0.00 O ATOM 765 CG2 THR A 48 2.018 1.426 -14.131 1.00 0.00 C ATOM 0 H THR A 48 0.230 1.909 -11.064 1.00 0.00 H new ATOM 0 HA THR A 48 2.847 2.806 -12.119 1.00 0.00 H new ATOM 0 HB THR A 48 1.319 3.445 -14.106 1.00 0.00 H new ATOM 0 HG1 THR A 48 -0.221 1.230 -13.124 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.615 1.213 -15.121 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.062 1.725 -14.221 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.949 0.532 -13.511 1.00 0.00 H new ATOM 773 N MET A 49 2.355 5.026 -11.153 1.00 0.00 N ATOM 774 CA MET A 49 2.094 6.353 -10.619 1.00 0.00 C ATOM 775 C MET A 49 2.673 7.422 -11.520 1.00 0.00 C ATOM 776 O MET A 49 3.526 7.147 -12.367 1.00 0.00 O ATOM 777 CB MET A 49 2.695 6.516 -9.220 1.00 0.00 C ATOM 778 CG MET A 49 2.080 5.626 -8.159 1.00 0.00 C ATOM 779 SD MET A 49 2.787 5.923 -6.525 1.00 0.00 S ATOM 780 CE MET A 49 1.748 4.886 -5.503 1.00 0.00 C ATOM 0 H MET A 49 3.326 4.722 -11.079 1.00 0.00 H new ATOM 0 HA MET A 49 1.011 6.466 -10.563 1.00 0.00 H new ATOM 0 HB2 MET A 49 3.764 6.310 -9.272 1.00 0.00 H new ATOM 0 HB3 MET A 49 2.585 7.556 -8.911 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.004 5.796 -8.124 1.00 0.00 H new ATOM 0 HG3 MET A 49 2.229 4.581 -8.433 1.00 0.00 H new ATOM 0 HE1 MET A 49 2.324 4.520 -4.653 1.00 0.00 H new ATOM 0 HE2 MET A 49 0.898 5.465 -5.143 1.00 0.00 H new ATOM 0 HE3 MET A 49 1.389 4.040 -6.089 1.00 0.00 H new ATOM 790 N LYS A 50 2.212 8.639 -11.321 1.00 0.00 N ATOM 791 CA LYS A 50 2.759 9.779 -12.015 1.00 0.00 C ATOM 792 C LYS A 50 3.084 10.872 -11.018 1.00 0.00 C ATOM 793 O LYS A 50 2.198 11.572 -10.538 1.00 0.00 O ATOM 794 CB LYS A 50 1.792 10.306 -13.076 1.00 0.00 C ATOM 795 CG LYS A 50 2.305 11.560 -13.769 1.00 0.00 C ATOM 796 CD LYS A 50 1.386 12.010 -14.889 1.00 0.00 C ATOM 797 CE LYS A 50 1.911 13.269 -15.563 1.00 0.00 C ATOM 798 NZ LYS A 50 1.079 13.652 -16.727 1.00 0.00 N ATOM 0 H LYS A 50 1.453 8.862 -10.678 1.00 0.00 H new ATOM 0 HA LYS A 50 3.670 9.464 -12.524 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.619 9.530 -13.821 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.830 10.521 -12.610 1.00 0.00 H new ATOM 0 HG2 LYS A 50 2.405 12.362 -13.038 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.300 11.370 -14.171 1.00 0.00 H new ATOM 0 HD2 LYS A 50 1.291 11.213 -15.626 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.389 12.197 -14.491 1.00 0.00 H new ATOM 0 HE2 LYS A 50 1.929 14.087 -14.843 1.00 0.00 H new ATOM 0 HE3 LYS A 50 2.939 13.107 -15.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.466 14.514 -17.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.082 12.881 -17.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.104 13.831 -16.413 1.00 0.00 H new ATOM 812 N LEU A 51 4.346 10.978 -10.670 1.00 0.00 N ATOM 813 CA LEU A 51 4.804 12.047 -9.817 1.00 0.00 C ATOM 814 C LEU A 51 5.425 13.134 -10.678 1.00 0.00 C ATOM 815 O LEU A 51 6.521 12.984 -11.207 1.00 0.00 O ATOM 816 CB LEU A 51 5.777 11.518 -8.754 1.00 0.00 C ATOM 817 CG LEU A 51 6.979 10.722 -9.258 1.00 0.00 C ATOM 818 CD1 LEU A 51 8.257 11.540 -9.134 1.00 0.00 C ATOM 819 CD2 LEU A 51 7.098 9.422 -8.483 1.00 0.00 C ATOM 0 H LEU A 51 5.077 10.332 -10.968 1.00 0.00 H new ATOM 0 HA LEU A 51 3.961 12.477 -9.276 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.148 12.367 -8.180 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.217 10.887 -8.064 1.00 0.00 H new ATOM 0 HG LEU A 51 6.829 10.491 -10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 51 9.101 10.954 -9.499 1.00 0.00 H new ATOM 0 HD12 LEU A 51 8.165 12.451 -9.726 1.00 0.00 H new ATOM 0 HD13 LEU A 51 8.422 11.802 -8.089 1.00 0.00 H new ATOM 0 HD21 LEU A 51 7.957 8.859 -8.847 1.00 0.00 H new ATOM 0 HD22 LEU A 51 7.230 9.641 -7.423 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.192 8.832 -8.621 1.00 0.00 H new ATOM 831 N ASP A 52 4.699 14.224 -10.839 1.00 0.00 N ATOM 832 CA ASP A 52 5.105 15.264 -11.773 1.00 0.00 C ATOM 833 C ASP A 52 5.553 16.496 -11.014 1.00 0.00 C ATOM 834 O ASP A 52 4.828 17.486 -10.912 1.00 0.00 O ATOM 835 CB ASP A 52 3.968 15.604 -12.742 1.00 0.00 C ATOM 836 CG ASP A 52 4.396 16.565 -13.834 1.00 0.00 C ATOM 837 OD1 ASP A 52 5.023 16.113 -14.815 1.00 0.00 O ATOM 838 OD2 ASP A 52 4.099 17.772 -13.719 1.00 0.00 O ATOM 0 H ASP A 52 3.830 14.414 -10.340 1.00 0.00 H new ATOM 0 HA ASP A 52 5.943 14.893 -12.363 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.597 14.685 -13.197 1.00 0.00 H new ATOM 0 HB3 ASP A 52 3.139 16.040 -12.184 1.00 0.00 H new ATOM 843 N GLY A 53 6.717 16.390 -10.403 1.00 0.00 N ATOM 844 CA GLY A 53 7.255 17.487 -9.641 1.00 0.00 C ATOM 845 C GLY A 53 7.994 16.999 -8.424 1.00 0.00 C ATOM 846 O GLY A 53 9.131 16.537 -8.511 1.00 0.00 O ATOM 0 H GLY A 53 7.303 15.555 -10.422 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.929 18.072 -10.268 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.447 18.151 -9.336 1.00 0.00 H new ATOM 850 N ASP A 54 7.327 17.089 -7.290 1.00 0.00 N ATOM 851 CA ASP A 54 7.869 16.620 -6.024 1.00 0.00 C ATOM 852 C ASP A 54 6.738 16.002 -5.210 1.00 0.00 C ATOM 853 O ASP A 54 6.822 15.837 -3.993 1.00 0.00 O ATOM 854 CB ASP A 54 8.514 17.790 -5.269 1.00 0.00 C ATOM 855 CG ASP A 54 9.342 17.344 -4.081 1.00 0.00 C ATOM 856 OD1 ASP A 54 10.222 16.473 -4.255 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.124 17.868 -2.968 1.00 0.00 O ATOM 0 H ASP A 54 6.392 17.490 -7.218 1.00 0.00 H new ATOM 0 HA ASP A 54 8.638 15.867 -6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.147 18.353 -5.955 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.733 18.469 -4.926 1.00 0.00 H new ATOM 862 N ILE A 55 5.679 15.630 -5.919 1.00 0.00 N ATOM 863 CA ILE A 55 4.469 15.142 -5.320 1.00 0.00 C ATOM 864 C ILE A 55 4.096 13.816 -5.940 1.00 0.00 C ATOM 865 O ILE A 55 4.909 13.168 -6.585 1.00 0.00 O ATOM 866 CB ILE A 55 3.306 16.140 -5.551 1.00 0.00 C ATOM 867 CG1 ILE A 55 3.366 16.760 -6.968 1.00 0.00 C ATOM 868 CG2 ILE A 55 3.325 17.233 -4.493 1.00 0.00 C ATOM 869 CD1 ILE A 55 3.244 15.769 -8.120 1.00 0.00 C ATOM 0 H ILE A 55 5.648 15.664 -6.938 1.00 0.00 H new ATOM 0 HA ILE A 55 4.638 15.026 -4.250 1.00 0.00 H new ATOM 0 HB ILE A 55 2.371 15.586 -5.468 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.567 17.496 -7.058 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.309 17.298 -7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.502 17.925 -4.670 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.216 16.785 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.270 17.773 -4.545 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.298 16.304 -9.068 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.057 15.045 -8.065 1.00 0.00 H new ATOM 0 HD13 ILE A 55 2.289 15.247 -8.052 1.00 0.00 H new ATOM 881 N VAL A 56 2.862 13.447 -5.748 1.00 0.00 N ATOM 882 CA VAL A 56 2.245 12.362 -6.483 1.00 0.00 C ATOM 883 C VAL A 56 0.993 12.895 -7.165 1.00 0.00 C ATOM 884 O VAL A 56 0.076 13.375 -6.501 1.00 0.00 O ATOM 885 CB VAL A 56 1.870 11.175 -5.569 1.00 0.00 C ATOM 886 CG1 VAL A 56 1.267 10.038 -6.382 1.00 0.00 C ATOM 887 CG2 VAL A 56 3.081 10.690 -4.786 1.00 0.00 C ATOM 0 H VAL A 56 2.242 13.891 -5.070 1.00 0.00 H new ATOM 0 HA VAL A 56 2.963 11.991 -7.214 1.00 0.00 H new ATOM 0 HB VAL A 56 1.121 11.521 -4.857 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.010 9.212 -5.718 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.368 10.390 -6.888 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.990 9.697 -7.122 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.792 9.854 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.857 10.367 -5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 56 3.463 11.502 -4.167 1.00 0.00 H new ATOM 897 N GLU A 57 0.968 12.857 -8.489 1.00 0.00 N ATOM 898 CA GLU A 57 -0.160 13.395 -9.232 1.00 0.00 C ATOM 899 C GLU A 57 -1.242 12.350 -9.368 1.00 0.00 C ATOM 900 O GLU A 57 -2.414 12.609 -9.089 1.00 0.00 O ATOM 901 CB GLU A 57 0.268 13.887 -10.617 1.00 0.00 C ATOM 902 CG GLU A 57 0.840 15.292 -10.608 1.00 0.00 C ATOM 903 CD GLU A 57 -0.133 16.280 -10.005 1.00 0.00 C ATOM 904 OE1 GLU A 57 -1.287 16.348 -10.484 1.00 0.00 O ATOM 905 OE2 GLU A 57 0.240 16.975 -9.043 1.00 0.00 O ATOM 0 H GLU A 57 1.710 12.462 -9.067 1.00 0.00 H new ATOM 0 HA GLU A 57 -0.550 14.247 -8.675 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.012 13.202 -11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -0.592 13.857 -11.287 1.00 0.00 H new ATOM 0 HG2 GLU A 57 1.771 15.304 -10.041 1.00 0.00 H new ATOM 0 HG3 GLU A 57 1.083 15.594 -11.627 1.00 0.00 H new ATOM 912 N ASP A 58 -0.855 11.162 -9.786 1.00 0.00 N ATOM 913 CA ASP A 58 -1.824 10.092 -9.939 1.00 0.00 C ATOM 914 C ASP A 58 -1.178 8.737 -9.723 1.00 0.00 C ATOM 915 O ASP A 58 0.040 8.642 -9.559 1.00 0.00 O ATOM 916 CB ASP A 58 -2.483 10.153 -11.317 1.00 0.00 C ATOM 917 CG ASP A 58 -3.897 9.614 -11.286 1.00 0.00 C ATOM 918 OD1 ASP A 58 -4.082 8.394 -11.466 1.00 0.00 O ATOM 919 OD2 ASP A 58 -4.826 10.414 -11.058 1.00 0.00 O ATOM 0 H ASP A 58 0.106 10.914 -10.023 1.00 0.00 H new ATOM 0 HA ASP A 58 -2.594 10.227 -9.179 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -2.494 11.184 -11.670 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -1.890 9.579 -12.029 1.00 0.00 H new ATOM 924 N ALA A 59 -2.000 7.700 -9.734 1.00 0.00 N ATOM 925 CA ALA A 59 -1.555 6.342 -9.481 1.00 0.00 C ATOM 926 C ALA A 59 -2.598 5.363 -9.990 1.00 0.00 C ATOM 927 O ALA A 59 -3.787 5.521 -9.711 1.00 0.00 O ATOM 928 CB ALA A 59 -1.325 6.127 -7.991 1.00 0.00 C ATOM 0 H ALA A 59 -3.000 7.779 -9.920 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.614 6.175 -10.005 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.992 5.104 -7.818 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.563 6.821 -7.636 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -2.255 6.302 -7.450 1.00 0.00 H new ATOM 934 N LYS A 60 -2.171 4.364 -10.741 1.00 0.00 N ATOM 935 CA LYS A 60 -3.091 3.373 -11.242 1.00 0.00 C ATOM 936 C LYS A 60 -2.667 2.003 -10.766 1.00 0.00 C ATOM 937 O LYS A 60 -1.556 1.548 -11.040 1.00 0.00 O ATOM 938 CB LYS A 60 -3.200 3.426 -12.769 1.00 0.00 C ATOM 939 CG LYS A 60 -3.979 4.629 -13.285 1.00 0.00 C ATOM 940 CD LYS A 60 -5.335 4.738 -12.603 1.00 0.00 C ATOM 941 CE LYS A 60 -6.202 5.828 -13.215 1.00 0.00 C ATOM 942 NZ LYS A 60 -5.519 7.150 -13.257 1.00 0.00 N ATOM 0 H LYS A 60 -1.198 4.222 -11.013 1.00 0.00 H new ATOM 0 HA LYS A 60 -4.085 3.590 -10.850 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -2.197 3.443 -13.196 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.681 2.514 -13.122 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.406 5.540 -13.109 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.117 4.542 -14.363 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.853 3.782 -12.674 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.191 4.944 -11.542 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.484 5.537 -14.227 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.124 5.918 -12.641 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.217 7.895 -13.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -5.066 7.336 -12.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.797 7.144 -14.005 1.00 0.00 H new ATOM 956 N PHE A 61 -3.548 1.380 -10.016 1.00 0.00 N ATOM 957 CA PHE A 61 -3.266 0.109 -9.390 1.00 0.00 C ATOM 958 C PHE A 61 -4.007 -1.018 -10.095 1.00 0.00 C ATOM 959 O PHE A 61 -5.204 -1.213 -9.897 1.00 0.00 O ATOM 960 CB PHE A 61 -3.644 0.167 -7.903 1.00 0.00 C ATOM 961 CG PHE A 61 -4.861 1.012 -7.620 1.00 0.00 C ATOM 962 CD1 PHE A 61 -6.136 0.478 -7.701 1.00 0.00 C ATOM 963 CD2 PHE A 61 -4.722 2.349 -7.284 1.00 0.00 C ATOM 964 CE1 PHE A 61 -7.248 1.259 -7.452 1.00 0.00 C ATOM 965 CE2 PHE A 61 -5.829 3.135 -7.034 1.00 0.00 C ATOM 966 CZ PHE A 61 -7.094 2.590 -7.119 1.00 0.00 C ATOM 0 H PHE A 61 -4.482 1.742 -9.823 1.00 0.00 H new ATOM 0 HA PHE A 61 -2.198 -0.095 -9.473 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -3.824 -0.846 -7.543 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -2.799 0.561 -7.337 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -6.263 -0.562 -7.962 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -3.735 2.782 -7.217 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -8.237 0.829 -7.518 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.705 4.175 -6.772 1.00 0.00 H new ATOM 0 HZ PHE A 61 -7.962 3.203 -6.925 1.00 0.00 H new ATOM 976 N GLU A 62 -3.304 -1.729 -10.957 1.00 0.00 N ATOM 977 CA GLU A 62 -3.855 -2.929 -11.548 1.00 0.00 C ATOM 978 C GLU A 62 -3.690 -4.069 -10.560 1.00 0.00 C ATOM 979 O GLU A 62 -2.743 -4.849 -10.641 1.00 0.00 O ATOM 980 CB GLU A 62 -3.192 -3.251 -12.894 1.00 0.00 C ATOM 981 CG GLU A 62 -3.723 -4.520 -13.543 1.00 0.00 C ATOM 982 CD GLU A 62 -3.361 -4.632 -15.008 1.00 0.00 C ATOM 983 OE1 GLU A 62 -2.199 -4.954 -15.321 1.00 0.00 O ATOM 984 OE2 GLU A 62 -4.250 -4.410 -15.859 1.00 0.00 O ATOM 0 H GLU A 62 -2.358 -1.497 -11.260 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.914 -2.778 -11.758 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -3.344 -2.413 -13.575 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -2.117 -3.351 -12.746 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.330 -5.386 -13.010 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.808 -4.548 -13.439 1.00 0.00 H new ATOM 991 N GLY A 63 -4.583 -4.106 -9.581 1.00 0.00 N ATOM 992 CA GLY A 63 -4.492 -5.078 -8.520 1.00 0.00 C ATOM 993 C GLY A 63 -5.492 -6.198 -8.671 1.00 0.00 C ATOM 994 O GLY A 63 -6.700 -5.980 -8.590 1.00 0.00 O ATOM 0 H GLY A 63 -5.377 -3.470 -9.506 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.485 -5.495 -8.500 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.650 -4.581 -7.563 1.00 0.00 H new ATOM 998 N GLU A 64 -4.981 -7.393 -8.889 1.00 0.00 N ATOM 999 CA GLU A 64 -5.805 -8.575 -9.010 1.00 0.00 C ATOM 1000 C GLU A 64 -5.377 -9.560 -7.934 1.00 0.00 C ATOM 1001 O GLU A 64 -4.228 -9.535 -7.500 1.00 0.00 O ATOM 1002 CB GLU A 64 -5.646 -9.178 -10.411 1.00 0.00 C ATOM 1003 CG GLU A 64 -6.527 -10.386 -10.669 1.00 0.00 C ATOM 1004 CD GLU A 64 -7.993 -10.100 -10.423 1.00 0.00 C ATOM 1005 OE1 GLU A 64 -8.670 -9.612 -11.352 1.00 0.00 O ATOM 1006 OE2 GLU A 64 -8.467 -10.368 -9.301 1.00 0.00 O ATOM 0 H GLU A 64 -3.981 -7.570 -8.987 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.858 -8.328 -8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.872 -8.412 -11.152 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -4.604 -9.464 -10.556 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.393 -10.716 -11.699 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.208 -11.207 -10.027 1.00 0.00 H new ATOM 1013 N GLY A 65 -6.290 -10.390 -7.466 1.00 0.00 N ATOM 1014 CA GLY A 65 -5.939 -11.335 -6.430 1.00 0.00 C ATOM 1015 C GLY A 65 -7.071 -11.586 -5.466 1.00 0.00 C ATOM 1016 O GLY A 65 -8.207 -11.816 -5.877 1.00 0.00 O ATOM 0 H GLY A 65 -7.260 -10.428 -7.780 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -5.642 -12.278 -6.889 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -5.075 -10.962 -5.881 1.00 0.00 H new ATOM 1020 N CYS A 66 -6.763 -11.538 -4.180 1.00 0.00 N ATOM 1021 CA CYS A 66 -7.772 -11.785 -3.163 1.00 0.00 C ATOM 1022 C CYS A 66 -8.264 -10.474 -2.554 1.00 0.00 C ATOM 1023 O CYS A 66 -7.853 -9.392 -2.980 1.00 0.00 O ATOM 1024 CB CYS A 66 -7.246 -12.748 -2.090 1.00 0.00 C ATOM 1025 SG CYS A 66 -5.506 -12.521 -1.652 1.00 0.00 S ATOM 0 H CYS A 66 -5.832 -11.332 -3.818 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.627 -12.265 -3.640 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -7.850 -12.632 -1.190 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -7.387 -13.771 -2.439 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.804 -12.359 -2.734 1.00 0.00 H new ATOM 1031 N SER A 67 -9.124 -10.588 -1.550 1.00 0.00 N ATOM 1032 CA SER A 67 -9.872 -9.455 -1.018 1.00 0.00 C ATOM 1033 C SER A 67 -8.961 -8.371 -0.445 1.00 0.00 C ATOM 1034 O SER A 67 -9.201 -7.182 -0.647 1.00 0.00 O ATOM 1035 CB SER A 67 -10.829 -9.946 0.072 1.00 0.00 C ATOM 1036 OG SER A 67 -11.513 -11.122 -0.340 1.00 0.00 O ATOM 0 H SER A 67 -9.323 -11.471 -1.080 1.00 0.00 H new ATOM 0 HA SER A 67 -10.427 -9.011 -1.845 1.00 0.00 H new ATOM 0 HB2 SER A 67 -10.271 -10.147 0.986 1.00 0.00 H new ATOM 0 HB3 SER A 67 -11.552 -9.164 0.305 1.00 0.00 H new ATOM 0 HG SER A 67 -12.116 -11.416 0.374 1.00 0.00 H new ATOM 1042 N ILE A 68 -7.914 -8.780 0.257 1.00 0.00 N ATOM 1043 CA ILE A 68 -7.097 -7.829 0.999 1.00 0.00 C ATOM 1044 C ILE A 68 -6.108 -7.089 0.105 1.00 0.00 C ATOM 1045 O ILE A 68 -5.976 -5.875 0.202 1.00 0.00 O ATOM 1046 CB ILE A 68 -6.362 -8.499 2.195 1.00 0.00 C ATOM 1047 CG1 ILE A 68 -5.690 -9.827 1.805 1.00 0.00 C ATOM 1048 CG2 ILE A 68 -7.335 -8.725 3.340 1.00 0.00 C ATOM 1049 CD1 ILE A 68 -4.298 -9.679 1.224 1.00 0.00 C ATOM 0 H ILE A 68 -7.612 -9.752 0.329 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.789 -7.090 1.403 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.571 -7.819 2.510 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.636 -10.465 2.687 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.321 -10.339 1.079 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.813 -9.194 4.174 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.747 -7.768 3.662 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.144 -9.374 3.007 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.900 -10.663 0.978 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -4.343 -9.070 0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.648 -9.197 1.955 1.00 0.00 H new ATOM 1061 N SER A 69 -5.466 -7.811 -0.799 1.00 0.00 N ATOM 1062 CA SER A 69 -4.349 -7.276 -1.566 1.00 0.00 C ATOM 1063 C SER A 69 -4.781 -6.146 -2.494 1.00 0.00 C ATOM 1064 O SER A 69 -4.209 -5.055 -2.472 1.00 0.00 O ATOM 1065 CB SER A 69 -3.715 -8.412 -2.363 1.00 0.00 C ATOM 1066 OG SER A 69 -4.719 -9.284 -2.855 1.00 0.00 O ATOM 0 H SER A 69 -5.701 -8.778 -1.022 1.00 0.00 H new ATOM 0 HA SER A 69 -3.622 -6.851 -0.874 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.137 -8.005 -3.193 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.020 -8.965 -1.732 1.00 0.00 H new ATOM 0 HG SER A 69 -4.307 -10.122 -3.153 1.00 0.00 H new ATOM 1072 N MET A 70 -5.800 -6.410 -3.298 1.00 0.00 N ATOM 1073 CA MET A 70 -6.280 -5.427 -4.262 1.00 0.00 C ATOM 1074 C MET A 70 -6.932 -4.241 -3.556 1.00 0.00 C ATOM 1075 O MET A 70 -7.009 -3.143 -4.105 1.00 0.00 O ATOM 1076 CB MET A 70 -7.254 -6.078 -5.259 1.00 0.00 C ATOM 1077 CG MET A 70 -8.523 -6.651 -4.637 1.00 0.00 C ATOM 1078 SD MET A 70 -9.797 -5.403 -4.347 1.00 0.00 S ATOM 1079 CE MET A 70 -11.092 -6.405 -3.619 1.00 0.00 C ATOM 0 H MET A 70 -6.310 -7.293 -3.304 1.00 0.00 H new ATOM 0 HA MET A 70 -5.422 -5.051 -4.820 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.536 -5.336 -6.006 1.00 0.00 H new ATOM 0 HB3 MET A 70 -6.732 -6.877 -5.785 1.00 0.00 H new ATOM 0 HG2 MET A 70 -8.924 -7.425 -5.292 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.272 -7.132 -3.691 1.00 0.00 H new ATOM 0 HE1 MET A 70 -11.963 -5.782 -3.416 1.00 0.00 H new ATOM 0 HE2 MET A 70 -11.368 -7.201 -4.310 1.00 0.00 H new ATOM 0 HE3 MET A 70 -10.733 -6.842 -2.687 1.00 0.00 H new ATOM 1089 N ALA A 71 -7.376 -4.461 -2.326 1.00 0.00 N ATOM 1090 CA ALA A 71 -8.044 -3.423 -1.558 1.00 0.00 C ATOM 1091 C ALA A 71 -7.039 -2.538 -0.830 1.00 0.00 C ATOM 1092 O ALA A 71 -7.118 -1.314 -0.913 1.00 0.00 O ATOM 1093 CB ALA A 71 -9.024 -4.038 -0.573 1.00 0.00 C ATOM 0 H ALA A 71 -7.284 -5.352 -1.839 1.00 0.00 H new ATOM 0 HA ALA A 71 -8.597 -2.795 -2.256 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -9.515 -3.247 -0.006 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -9.773 -4.614 -1.117 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -8.488 -4.695 0.112 1.00 0.00 H new ATOM 1099 N SER A 72 -6.087 -3.164 -0.137 1.00 0.00 N ATOM 1100 CA SER A 72 -5.094 -2.434 0.652 1.00 0.00 C ATOM 1101 C SER A 72 -4.291 -1.486 -0.230 1.00 0.00 C ATOM 1102 O SER A 72 -4.109 -0.311 0.096 1.00 0.00 O ATOM 1103 CB SER A 72 -4.153 -3.412 1.366 1.00 0.00 C ATOM 1104 OG SER A 72 -3.597 -4.357 0.462 1.00 0.00 O ATOM 0 H SER A 72 -5.983 -4.178 -0.106 1.00 0.00 H new ATOM 0 HA SER A 72 -5.624 -1.844 1.400 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.351 -2.857 1.852 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.699 -3.936 2.151 1.00 0.00 H new ATOM 0 HG SER A 72 -4.263 -5.046 0.258 1.00 0.00 H new ATOM 1110 N ALA A 73 -3.836 -2.004 -1.366 1.00 0.00 N ATOM 1111 CA ALA A 73 -3.079 -1.213 -2.318 1.00 0.00 C ATOM 1112 C ALA A 73 -3.879 0.001 -2.754 1.00 0.00 C ATOM 1113 O ALA A 73 -3.364 1.112 -2.769 1.00 0.00 O ATOM 1114 CB ALA A 73 -2.695 -2.053 -3.523 1.00 0.00 C ATOM 0 H ALA A 73 -3.982 -2.974 -1.647 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.166 -0.870 -1.831 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.128 -1.443 -4.226 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.084 -2.896 -3.199 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.597 -2.424 -4.010 1.00 0.00 H new ATOM 1120 N SER A 74 -5.149 -0.216 -3.076 1.00 0.00 N ATOM 1121 CA SER A 74 -6.031 0.862 -3.509 1.00 0.00 C ATOM 1122 C SER A 74 -6.187 1.920 -2.417 1.00 0.00 C ATOM 1123 O SER A 74 -6.282 3.114 -2.700 1.00 0.00 O ATOM 1124 CB SER A 74 -7.408 0.303 -3.876 1.00 0.00 C ATOM 1125 OG SER A 74 -7.321 -0.656 -4.920 1.00 0.00 O ATOM 0 H SER A 74 -5.593 -1.134 -3.045 1.00 0.00 H new ATOM 0 HA SER A 74 -5.581 1.330 -4.385 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.862 -0.155 -2.997 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.062 1.119 -4.184 1.00 0.00 H new ATOM 0 HG SER A 74 -7.173 -1.545 -4.536 1.00 0.00 H new ATOM 1131 N MET A 75 -6.175 1.481 -1.168 1.00 0.00 N ATOM 1132 CA MET A 75 -6.431 2.375 -0.051 1.00 0.00 C ATOM 1133 C MET A 75 -5.191 3.197 0.245 1.00 0.00 C ATOM 1134 O MET A 75 -5.263 4.414 0.442 1.00 0.00 O ATOM 1135 CB MET A 75 -6.859 1.580 1.188 1.00 0.00 C ATOM 1136 CG MET A 75 -7.178 2.453 2.392 1.00 0.00 C ATOM 1137 SD MET A 75 -7.825 1.512 3.789 1.00 0.00 S ATOM 1138 CE MET A 75 -8.066 2.811 4.999 1.00 0.00 C ATOM 0 H MET A 75 -5.991 0.513 -0.903 1.00 0.00 H new ATOM 0 HA MET A 75 -7.245 3.049 -0.318 1.00 0.00 H new ATOM 0 HB2 MET A 75 -7.736 0.982 0.941 1.00 0.00 H new ATOM 0 HB3 MET A 75 -6.064 0.884 1.455 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.275 2.980 2.702 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.906 3.211 2.102 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.463 2.382 5.919 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.112 3.296 5.207 1.00 0.00 H new ATOM 0 HE3 MET A 75 -8.769 3.546 4.608 1.00 0.00 H new ATOM 1148 N MET A 76 -4.047 2.534 0.238 1.00 0.00 N ATOM 1149 CA MET A 76 -2.793 3.204 0.533 1.00 0.00 C ATOM 1150 C MET A 76 -2.346 4.092 -0.626 1.00 0.00 C ATOM 1151 O MET A 76 -1.736 5.136 -0.411 1.00 0.00 O ATOM 1152 CB MET A 76 -1.713 2.187 0.886 1.00 0.00 C ATOM 1153 CG MET A 76 -1.929 1.535 2.242 1.00 0.00 C ATOM 1154 SD MET A 76 -1.957 2.735 3.589 1.00 0.00 S ATOM 1155 CE MET A 76 -0.273 3.345 3.536 1.00 0.00 C ATOM 0 H MET A 76 -3.961 1.539 0.033 1.00 0.00 H new ATOM 0 HA MET A 76 -2.955 3.850 1.396 1.00 0.00 H new ATOM 0 HB2 MET A 76 -1.685 1.414 0.118 1.00 0.00 H new ATOM 0 HB3 MET A 76 -0.741 2.680 0.877 1.00 0.00 H new ATOM 0 HG2 MET A 76 -2.869 0.984 2.231 1.00 0.00 H new ATOM 0 HG3 MET A 76 -1.136 0.809 2.423 1.00 0.00 H new ATOM 0 HE1 MET A 76 -0.047 3.871 4.464 1.00 0.00 H new ATOM 0 HE2 MET A 76 0.414 2.507 3.417 1.00 0.00 H new ATOM 0 HE3 MET A 76 -0.160 4.029 2.695 1.00 0.00 H new ATOM 1165 N THR A 77 -2.666 3.696 -1.854 1.00 0.00 N ATOM 1166 CA THR A 77 -2.314 4.503 -3.021 1.00 0.00 C ATOM 1167 C THR A 77 -3.218 5.724 -3.133 1.00 0.00 C ATOM 1168 O THR A 77 -2.870 6.704 -3.786 1.00 0.00 O ATOM 1169 CB THR A 77 -2.391 3.701 -4.330 1.00 0.00 C ATOM 1170 OG1 THR A 77 -3.664 3.066 -4.442 1.00 0.00 O ATOM 1171 CG2 THR A 77 -1.292 2.660 -4.392 1.00 0.00 C ATOM 0 H THR A 77 -3.163 2.831 -2.068 1.00 0.00 H new ATOM 0 HA THR A 77 -1.282 4.821 -2.873 1.00 0.00 H new ATOM 0 HB THR A 77 -2.259 4.394 -5.161 1.00 0.00 H new ATOM 0 HG1 THR A 77 -3.637 2.197 -3.990 1.00 0.00 H new ATOM 0 HG21 THR A 77 -1.368 2.106 -5.328 1.00 0.00 H new ATOM 0 HG22 THR A 77 -0.321 3.152 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 77 -1.395 1.972 -3.553 1.00 0.00 H new ATOM 1179 N GLN A 78 -4.370 5.663 -2.478 1.00 0.00 N ATOM 1180 CA GLN A 78 -5.307 6.778 -2.463 1.00 0.00 C ATOM 1181 C GLN A 78 -4.730 7.879 -1.594 1.00 0.00 C ATOM 1182 O GLN A 78 -4.829 9.065 -1.916 1.00 0.00 O ATOM 1183 CB GLN A 78 -6.681 6.318 -1.943 1.00 0.00 C ATOM 1184 CG GLN A 78 -7.759 7.399 -1.933 1.00 0.00 C ATOM 1185 CD GLN A 78 -7.901 8.092 -0.587 1.00 0.00 C ATOM 1186 OE1 GLN A 78 -8.654 7.643 0.276 1.00 0.00 O ATOM 1187 NE2 GLN A 78 -7.197 9.198 -0.405 1.00 0.00 N ATOM 0 H GLN A 78 -4.679 4.848 -1.948 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.454 7.158 -3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -7.026 5.487 -2.558 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -6.560 5.936 -0.929 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.525 8.143 -2.694 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -8.715 6.952 -2.207 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.583 9.539 -1.145 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -7.268 9.709 0.475 1.00 0.00 H new ATOM 1196 N ALA A 79 -4.098 7.460 -0.508 1.00 0.00 N ATOM 1197 CA ALA A 79 -3.417 8.374 0.387 1.00 0.00 C ATOM 1198 C ALA A 79 -2.161 8.905 -0.281 1.00 0.00 C ATOM 1199 O ALA A 79 -1.784 10.058 -0.095 1.00 0.00 O ATOM 1200 CB ALA A 79 -3.075 7.672 1.692 1.00 0.00 C ATOM 0 H ALA A 79 -4.045 6.481 -0.226 1.00 0.00 H new ATOM 0 HA ALA A 79 -4.075 9.213 0.612 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.564 8.368 2.357 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.991 7.322 2.168 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -2.425 6.821 1.488 1.00 0.00 H new ATOM 1206 N ILE A 80 -1.535 8.053 -1.086 1.00 0.00 N ATOM 1207 CA ILE A 80 -0.318 8.439 -1.795 1.00 0.00 C ATOM 1208 C ILE A 80 -0.634 9.416 -2.914 1.00 0.00 C ATOM 1209 O ILE A 80 0.079 10.397 -3.116 1.00 0.00 O ATOM 1210 CB ILE A 80 0.430 7.212 -2.361 1.00 0.00 C ATOM 1211 CG1 ILE A 80 1.109 6.458 -1.222 1.00 0.00 C ATOM 1212 CG2 ILE A 80 1.458 7.628 -3.406 1.00 0.00 C ATOM 1213 CD1 ILE A 80 2.054 7.334 -0.434 1.00 0.00 C ATOM 0 H ILE A 80 -1.846 7.098 -1.264 1.00 0.00 H new ATOM 0 HA ILE A 80 0.335 8.926 -1.071 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.294 6.559 -2.848 1.00 0.00 H new ATOM 0 HG12 ILE A 80 0.349 6.055 -0.553 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.659 5.609 -1.629 1.00 0.00 H new ATOM 0 HG21 ILE A 80 1.969 6.743 -3.786 1.00 0.00 H new ATOM 0 HG22 ILE A 80 0.956 8.138 -4.228 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.186 8.300 -2.952 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.511 6.750 0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.832 7.717 -1.095 1.00 0.00 H new ATOM 0 HD13 ILE A 80 1.502 8.169 -0.002 1.00 0.00 H new ATOM 1225 N LYS A 81 -1.726 9.150 -3.617 1.00 0.00 N ATOM 1226 CA LYS A 81 -2.186 10.024 -4.697 1.00 0.00 C ATOM 1227 C LYS A 81 -2.422 11.454 -4.195 1.00 0.00 C ATOM 1228 O LYS A 81 -2.445 12.403 -4.978 1.00 0.00 O ATOM 1229 CB LYS A 81 -3.465 9.459 -5.331 1.00 0.00 C ATOM 1230 CG LYS A 81 -4.098 10.378 -6.367 1.00 0.00 C ATOM 1231 CD LYS A 81 -5.308 9.740 -7.030 1.00 0.00 C ATOM 1232 CE LYS A 81 -6.152 10.777 -7.756 1.00 0.00 C ATOM 1233 NZ LYS A 81 -5.355 11.574 -8.729 1.00 0.00 N ATOM 0 H LYS A 81 -2.315 8.332 -3.461 1.00 0.00 H new ATOM 0 HA LYS A 81 -1.404 10.062 -5.455 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -3.234 8.503 -5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -4.192 9.260 -4.544 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -4.396 11.311 -5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -3.359 10.631 -7.127 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -4.979 8.977 -7.736 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -5.915 9.237 -6.277 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.966 10.277 -8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -6.607 11.447 -7.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.993 12.171 -9.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -4.682 12.177 -8.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -4.833 10.932 -9.359 1.00 0.00 H new ATOM 1247 N GLY A 82 -2.568 11.606 -2.889 1.00 0.00 N ATOM 1248 CA GLY A 82 -2.867 12.908 -2.330 1.00 0.00 C ATOM 1249 C GLY A 82 -1.740 13.424 -1.466 1.00 0.00 C ATOM 1250 O GLY A 82 -1.954 14.249 -0.578 1.00 0.00 O ATOM 0 H GLY A 82 -2.485 10.853 -2.206 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.058 13.615 -3.138 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.780 12.847 -1.738 1.00 0.00 H new ATOM 1254 N LYS A 83 -0.531 12.956 -1.742 1.00 0.00 N ATOM 1255 CA LYS A 83 0.619 13.267 -0.911 1.00 0.00 C ATOM 1256 C LYS A 83 1.763 13.820 -1.755 1.00 0.00 C ATOM 1257 O LYS A 83 1.589 14.142 -2.935 1.00 0.00 O ATOM 1258 CB LYS A 83 1.083 12.002 -0.177 1.00 0.00 C ATOM 1259 CG LYS A 83 0.991 12.083 1.340 1.00 0.00 C ATOM 1260 CD LYS A 83 -0.445 12.213 1.826 1.00 0.00 C ATOM 1261 CE LYS A 83 -0.520 12.172 3.347 1.00 0.00 C ATOM 1262 NZ LYS A 83 -1.914 12.308 3.848 1.00 0.00 N ATOM 0 H LYS A 83 -0.323 12.356 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 83 0.327 14.026 -0.185 1.00 0.00 H new ATOM 0 HB2 LYS A 83 0.485 11.158 -0.520 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.116 11.794 -0.455 1.00 0.00 H new ATOM 0 HG2 LYS A 83 1.441 11.191 1.777 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.570 12.937 1.692 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.871 13.149 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.047 11.406 1.408 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.098 11.232 3.704 1.00 0.00 H new ATOM 0 HE3 LYS A 83 0.092 12.974 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.914 12.274 4.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.310 13.216 3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.494 11.529 3.476 1.00 0.00 H new ATOM 1276 N ASP A 84 2.934 13.916 -1.142 1.00 0.00 N ATOM 1277 CA ASP A 84 4.129 14.348 -1.801 1.00 0.00 C ATOM 1278 C ASP A 84 5.102 13.203 -1.677 1.00 0.00 C ATOM 1279 O ASP A 84 4.725 12.093 -1.301 1.00 0.00 O ATOM 1280 CB ASP A 84 4.742 15.593 -1.130 1.00 0.00 C ATOM 1281 CG ASP A 84 3.719 16.561 -0.571 1.00 0.00 C ATOM 1282 OD1 ASP A 84 3.271 16.352 0.580 1.00 0.00 O ATOM 1283 OD2 ASP A 84 3.376 17.547 -1.257 1.00 0.00 O ATOM 0 H ASP A 84 3.068 13.689 -0.157 1.00 0.00 H new ATOM 0 HA ASP A 84 3.909 14.616 -2.834 1.00 0.00 H new ATOM 0 HB2 ASP A 84 5.400 15.271 -0.323 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.362 16.116 -1.858 1.00 0.00 H new ATOM 1288 N ILE A 85 6.343 13.468 -1.953 1.00 0.00 N ATOM 1289 CA ILE A 85 7.361 12.452 -1.798 1.00 0.00 C ATOM 1290 C ILE A 85 7.889 12.462 -0.371 1.00 0.00 C ATOM 1291 O ILE A 85 8.115 11.413 0.221 1.00 0.00 O ATOM 1292 CB ILE A 85 8.493 12.613 -2.832 1.00 0.00 C ATOM 1293 CG1 ILE A 85 7.895 12.537 -4.242 1.00 0.00 C ATOM 1294 CG2 ILE A 85 9.563 11.542 -2.644 1.00 0.00 C ATOM 1295 CD1 ILE A 85 6.870 11.427 -4.396 1.00 0.00 C ATOM 0 H ILE A 85 6.682 14.371 -2.285 1.00 0.00 H new ATOM 0 HA ILE A 85 6.909 11.479 -1.989 1.00 0.00 H new ATOM 0 HB ILE A 85 8.972 13.582 -2.690 1.00 0.00 H new ATOM 0 HG12 ILE A 85 7.427 13.491 -4.484 1.00 0.00 H new ATOM 0 HG13 ILE A 85 8.698 12.384 -4.963 1.00 0.00 H new ATOM 0 HG21 ILE A 85 10.349 11.679 -3.386 1.00 0.00 H new ATOM 0 HG22 ILE A 85 9.989 11.625 -1.644 1.00 0.00 H new ATOM 0 HG23 ILE A 85 9.116 10.556 -2.767 1.00 0.00 H new ATOM 0 HD11 ILE A 85 6.485 11.426 -5.416 1.00 0.00 H new ATOM 0 HD12 ILE A 85 7.340 10.466 -4.185 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.049 11.591 -3.698 1.00 0.00 H new ATOM 1307 N GLU A 86 8.029 13.658 0.191 1.00 0.00 N ATOM 1308 CA GLU A 86 8.460 13.817 1.574 1.00 0.00 C ATOM 1309 C GLU A 86 7.485 13.113 2.507 1.00 0.00 C ATOM 1310 O GLU A 86 7.878 12.317 3.358 1.00 0.00 O ATOM 1311 CB GLU A 86 8.534 15.302 1.937 1.00 0.00 C ATOM 1312 CG GLU A 86 9.034 15.565 3.348 1.00 0.00 C ATOM 1313 CD GLU A 86 10.519 15.312 3.495 1.00 0.00 C ATOM 1314 OE1 GLU A 86 10.918 14.146 3.676 1.00 0.00 O ATOM 1315 OE2 GLU A 86 11.298 16.286 3.423 1.00 0.00 O ATOM 0 H GLU A 86 7.849 14.537 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 86 9.449 13.373 1.684 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.191 15.807 1.229 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.544 15.744 1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.816 16.598 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.490 14.930 4.047 1.00 0.00 H new ATOM 1322 N THR A 87 6.206 13.395 2.316 1.00 0.00 N ATOM 1323 CA THR A 87 5.164 12.833 3.155 1.00 0.00 C ATOM 1324 C THR A 87 5.038 11.324 2.946 1.00 0.00 C ATOM 1325 O THR A 87 4.731 10.586 3.882 1.00 0.00 O ATOM 1326 CB THR A 87 3.816 13.526 2.886 1.00 0.00 C ATOM 1327 OG1 THR A 87 3.698 13.833 1.490 1.00 0.00 O ATOM 1328 CG2 THR A 87 3.688 14.803 3.704 1.00 0.00 C ATOM 0 H THR A 87 5.865 14.015 1.581 1.00 0.00 H new ATOM 0 HA THR A 87 5.444 13.008 4.194 1.00 0.00 H new ATOM 0 HB THR A 87 3.016 12.846 3.180 1.00 0.00 H new ATOM 0 HG1 THR A 87 3.404 14.762 1.383 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.727 15.274 3.496 1.00 0.00 H new ATOM 0 HG22 THR A 87 3.752 14.563 4.765 1.00 0.00 H new ATOM 0 HG23 THR A 87 4.493 15.488 3.437 1.00 0.00 H new ATOM 1336 N ALA A 88 5.300 10.868 1.725 1.00 0.00 N ATOM 1337 CA ALA A 88 5.269 9.443 1.420 1.00 0.00 C ATOM 1338 C ALA A 88 6.448 8.729 2.071 1.00 0.00 C ATOM 1339 O ALA A 88 6.296 7.652 2.649 1.00 0.00 O ATOM 1340 CB ALA A 88 5.281 9.217 -0.084 1.00 0.00 C ATOM 0 H ALA A 88 5.536 11.464 0.932 1.00 0.00 H new ATOM 0 HA ALA A 88 4.346 9.028 1.825 1.00 0.00 H new ATOM 0 HB1 ALA A 88 5.258 8.147 -0.291 1.00 0.00 H new ATOM 0 HB2 ALA A 88 4.408 9.692 -0.530 1.00 0.00 H new ATOM 0 HB3 ALA A 88 6.187 9.649 -0.510 1.00 0.00 H new ATOM 1346 N LEU A 89 7.623 9.345 1.976 1.00 0.00 N ATOM 1347 CA LEU A 89 8.832 8.797 2.578 1.00 0.00 C ATOM 1348 C LEU A 89 8.721 8.788 4.099 1.00 0.00 C ATOM 1349 O LEU A 89 9.195 7.865 4.754 1.00 0.00 O ATOM 1350 CB LEU A 89 10.065 9.597 2.147 1.00 0.00 C ATOM 1351 CG LEU A 89 10.386 9.559 0.651 1.00 0.00 C ATOM 1352 CD1 LEU A 89 11.652 10.346 0.358 1.00 0.00 C ATOM 1353 CD2 LEU A 89 10.527 8.128 0.163 1.00 0.00 C ATOM 0 H LEU A 89 7.762 10.228 1.485 1.00 0.00 H new ATOM 0 HA LEU A 89 8.944 7.770 2.229 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.924 10.636 2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 89 10.929 9.223 2.696 1.00 0.00 H new ATOM 0 HG LEU A 89 9.557 10.021 0.115 1.00 0.00 H new ATOM 0 HD11 LEU A 89 11.865 10.308 -0.710 1.00 0.00 H new ATOM 0 HD12 LEU A 89 11.515 11.383 0.664 1.00 0.00 H new ATOM 0 HD13 LEU A 89 12.486 9.912 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 89 10.755 8.128 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 89 11.334 7.636 0.707 1.00 0.00 H new ATOM 0 HD23 LEU A 89 9.594 7.591 0.334 1.00 0.00 H new ATOM 1365 N SER A 90 8.080 9.811 4.649 1.00 0.00 N ATOM 1366 CA SER A 90 7.861 9.901 6.087 1.00 0.00 C ATOM 1367 C SER A 90 6.885 8.821 6.542 1.00 0.00 C ATOM 1368 O SER A 90 7.127 8.129 7.528 1.00 0.00 O ATOM 1369 CB SER A 90 7.327 11.289 6.460 1.00 0.00 C ATOM 1370 OG SER A 90 7.085 11.392 7.853 1.00 0.00 O ATOM 0 H SER A 90 7.701 10.595 4.117 1.00 0.00 H new ATOM 0 HA SER A 90 8.814 9.747 6.593 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.045 12.051 6.156 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.405 11.485 5.913 1.00 0.00 H new ATOM 0 HG SER A 90 6.747 12.288 8.061 1.00 0.00 H new ATOM 1376 N MET A 91 5.797 8.668 5.793 1.00 0.00 N ATOM 1377 CA MET A 91 4.764 7.685 6.110 1.00 0.00 C ATOM 1378 C MET A 91 5.347 6.275 6.162 1.00 0.00 C ATOM 1379 O MET A 91 4.933 5.450 6.967 1.00 0.00 O ATOM 1380 CB MET A 91 3.645 7.749 5.066 1.00 0.00 C ATOM 1381 CG MET A 91 2.509 6.769 5.315 1.00 0.00 C ATOM 1382 SD MET A 91 1.283 6.780 3.990 1.00 0.00 S ATOM 1383 CE MET A 91 0.675 8.460 4.100 1.00 0.00 C ATOM 0 H MET A 91 5.606 9.217 4.955 1.00 0.00 H new ATOM 0 HA MET A 91 4.357 7.922 7.093 1.00 0.00 H new ATOM 0 HB2 MET A 91 3.240 8.761 5.044 1.00 0.00 H new ATOM 0 HB3 MET A 91 4.070 7.554 4.081 1.00 0.00 H new ATOM 0 HG2 MET A 91 2.917 5.764 5.420 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.022 7.015 6.258 1.00 0.00 H new ATOM 0 HE1 MET A 91 -0.266 8.543 3.555 1.00 0.00 H new ATOM 0 HE2 MET A 91 0.513 8.721 5.146 1.00 0.00 H new ATOM 0 HE3 MET A 91 1.407 9.141 3.666 1.00 0.00 H new ATOM 1393 N SER A 92 6.316 6.014 5.303 1.00 0.00 N ATOM 1394 CA SER A 92 6.941 4.715 5.218 1.00 0.00 C ATOM 1395 C SER A 92 8.104 4.618 6.197 1.00 0.00 C ATOM 1396 O SER A 92 8.412 3.538 6.709 1.00 0.00 O ATOM 1397 CB SER A 92 7.394 4.463 3.787 1.00 0.00 C ATOM 1398 OG SER A 92 8.043 5.609 3.262 1.00 0.00 O ATOM 0 H SER A 92 6.689 6.700 4.646 1.00 0.00 H new ATOM 0 HA SER A 92 6.220 3.945 5.492 1.00 0.00 H new ATOM 0 HB2 SER A 92 8.071 3.609 3.759 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.535 4.209 3.167 1.00 0.00 H new ATOM 0 HG SER A 92 7.372 6.241 2.929 1.00 0.00 H new ATOM 1404 N LYS A 93 8.744 5.757 6.463 1.00 0.00 N ATOM 1405 CA LYS A 93 9.805 5.815 7.458 1.00 0.00 C ATOM 1406 C LYS A 93 9.237 5.445 8.814 1.00 0.00 C ATOM 1407 O LYS A 93 9.789 4.604 9.519 1.00 0.00 O ATOM 1408 CB LYS A 93 10.443 7.208 7.509 1.00 0.00 C ATOM 1409 CG LYS A 93 11.597 7.317 8.495 1.00 0.00 C ATOM 1410 CD LYS A 93 12.321 8.649 8.360 1.00 0.00 C ATOM 1411 CE LYS A 93 13.553 8.716 9.248 1.00 0.00 C ATOM 1412 NZ LYS A 93 14.384 9.918 8.958 1.00 0.00 N ATOM 0 H LYS A 93 8.545 6.646 6.004 1.00 0.00 H new ATOM 0 HA LYS A 93 10.585 5.106 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 93 10.801 7.470 6.514 1.00 0.00 H new ATOM 0 HB3 LYS A 93 9.679 7.938 7.775 1.00 0.00 H new ATOM 0 HG2 LYS A 93 11.220 7.208 9.512 1.00 0.00 H new ATOM 0 HG3 LYS A 93 12.300 6.501 8.326 1.00 0.00 H new ATOM 0 HD2 LYS A 93 12.614 8.800 7.321 1.00 0.00 H new ATOM 0 HD3 LYS A 93 11.641 9.460 8.620 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.246 8.731 10.294 1.00 0.00 H new ATOM 0 HE3 LYS A 93 14.153 7.817 9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 14.780 10.288 9.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 15.159 9.658 8.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 13.794 10.648 8.511 1.00 0.00 H new ATOM 1426 N ILE A 94 8.110 6.057 9.161 1.00 0.00 N ATOM 1427 CA ILE A 94 7.425 5.718 10.395 1.00 0.00 C ATOM 1428 C ILE A 94 6.778 4.341 10.273 1.00 0.00 C ATOM 1429 O ILE A 94 6.716 3.601 11.250 1.00 0.00 O ATOM 1430 CB ILE A 94 6.367 6.777 10.804 1.00 0.00 C ATOM 1431 CG1 ILE A 94 5.801 6.450 12.189 1.00 0.00 C ATOM 1432 CG2 ILE A 94 5.245 6.867 9.778 1.00 0.00 C ATOM 1433 CD1 ILE A 94 4.772 7.445 12.683 1.00 0.00 C ATOM 0 H ILE A 94 7.657 6.784 8.608 1.00 0.00 H new ATOM 0 HA ILE A 94 8.176 5.702 11.185 1.00 0.00 H new ATOM 0 HB ILE A 94 6.860 7.749 10.842 1.00 0.00 H new ATOM 0 HG12 ILE A 94 5.349 5.459 12.161 1.00 0.00 H new ATOM 0 HG13 ILE A 94 6.622 6.406 12.905 1.00 0.00 H new ATOM 0 HG21 ILE A 94 4.521 7.618 10.095 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.659 7.148 8.810 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.751 5.899 9.694 1.00 0.00 H new ATOM 0 HD11 ILE A 94 4.419 7.144 13.670 1.00 0.00 H new ATOM 0 HD12 ILE A 94 5.224 8.435 12.745 1.00 0.00 H new ATOM 0 HD13 ILE A 94 3.931 7.473 11.990 1.00 0.00 H new ATOM 1445 N PHE A 95 6.336 3.979 9.060 1.00 0.00 N ATOM 1446 CA PHE A 95 5.725 2.666 8.842 1.00 0.00 C ATOM 1447 C PHE A 95 6.690 1.558 9.255 1.00 0.00 C ATOM 1448 O PHE A 95 6.312 0.605 9.935 1.00 0.00 O ATOM 1449 CB PHE A 95 5.326 2.487 7.372 1.00 0.00 C ATOM 1450 CG PHE A 95 4.415 1.317 7.119 1.00 0.00 C ATOM 1451 CD1 PHE A 95 4.926 0.043 6.942 1.00 0.00 C ATOM 1452 CD2 PHE A 95 3.042 1.498 7.053 1.00 0.00 C ATOM 1453 CE1 PHE A 95 4.088 -1.029 6.704 1.00 0.00 C ATOM 1454 CE2 PHE A 95 2.199 0.429 6.815 1.00 0.00 C ATOM 1455 CZ PHE A 95 2.723 -0.835 6.640 1.00 0.00 C ATOM 0 H PHE A 95 6.390 4.568 8.229 1.00 0.00 H new ATOM 0 HA PHE A 95 4.826 2.605 9.456 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.835 3.397 7.027 1.00 0.00 H new ATOM 0 HB3 PHE A 95 6.229 2.366 6.774 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.993 -0.115 6.991 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.627 2.486 7.189 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.500 -2.018 6.568 1.00 0.00 H new ATOM 0 HE2 PHE A 95 1.131 0.583 6.766 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.066 -1.672 6.453 1.00 0.00 H new ATOM 1465 N SER A 96 7.944 1.699 8.849 1.00 0.00 N ATOM 1466 CA SER A 96 8.970 0.731 9.200 1.00 0.00 C ATOM 1467 C SER A 96 9.446 0.938 10.638 1.00 0.00 C ATOM 1468 O SER A 96 9.767 -0.022 11.337 1.00 0.00 O ATOM 1469 CB SER A 96 10.149 0.840 8.234 1.00 0.00 C ATOM 1470 OG SER A 96 9.738 0.608 6.894 1.00 0.00 O ATOM 0 H SER A 96 8.274 2.475 8.276 1.00 0.00 H new ATOM 0 HA SER A 96 8.539 -0.267 9.123 1.00 0.00 H new ATOM 0 HB2 SER A 96 10.597 1.830 8.313 1.00 0.00 H new ATOM 0 HB3 SER A 96 10.918 0.119 8.511 1.00 0.00 H new ATOM 0 HG SER A 96 9.282 1.404 6.549 1.00 0.00 H new ATOM 1476 N ASP A 97 9.470 2.194 11.076 1.00 0.00 N ATOM 1477 CA ASP A 97 9.956 2.542 12.412 1.00 0.00 C ATOM 1478 C ASP A 97 9.070 1.936 13.500 1.00 0.00 C ATOM 1479 O ASP A 97 9.549 1.586 14.581 1.00 0.00 O ATOM 1480 CB ASP A 97 10.020 4.063 12.567 1.00 0.00 C ATOM 1481 CG ASP A 97 10.660 4.498 13.869 1.00 0.00 C ATOM 1482 OD1 ASP A 97 11.855 4.197 14.078 1.00 0.00 O ATOM 1483 OD2 ASP A 97 9.973 5.143 14.687 1.00 0.00 O ATOM 0 H ASP A 97 9.157 2.992 10.524 1.00 0.00 H new ATOM 0 HA ASP A 97 10.958 2.128 12.527 1.00 0.00 H new ATOM 0 HB2 ASP A 97 10.582 4.484 11.734 1.00 0.00 H new ATOM 0 HB3 ASP A 97 9.011 4.471 12.510 1.00 0.00 H new ATOM 1670 N LEU A 110 -4.327 4.087 11.357 1.00 0.00 N ATOM 1671 CA LEU A 110 -3.807 2.739 11.174 1.00 0.00 C ATOM 1672 C LEU A 110 -4.819 1.833 10.485 1.00 0.00 C ATOM 1673 O LEU A 110 -4.724 0.609 10.587 1.00 0.00 O ATOM 1674 CB LEU A 110 -3.429 2.151 12.537 1.00 0.00 C ATOM 1675 CG LEU A 110 -2.303 2.877 13.269 1.00 0.00 C ATOM 1676 CD1 LEU A 110 -2.178 2.372 14.695 1.00 0.00 C ATOM 1677 CD2 LEU A 110 -0.991 2.698 12.529 1.00 0.00 C ATOM 0 HA LEU A 110 -2.927 2.799 10.534 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.314 2.152 13.173 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.138 1.110 12.397 1.00 0.00 H new ATOM 0 HG LEU A 110 -2.544 3.940 13.301 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -1.370 2.902 15.199 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -3.114 2.547 15.226 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -1.960 1.304 14.685 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -0.198 3.221 13.063 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -0.749 1.637 12.469 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -1.082 3.107 11.523 1.00 0.00 H new ATOM 1689 N GLY A 111 -5.760 2.436 9.761 1.00 0.00 N ATOM 1690 CA GLY A 111 -6.826 1.679 9.117 1.00 0.00 C ATOM 1691 C GLY A 111 -6.318 0.501 8.306 1.00 0.00 C ATOM 1692 O GLY A 111 -6.694 -0.644 8.562 1.00 0.00 O ATOM 0 H GLY A 111 -5.804 3.443 9.607 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -7.516 1.317 9.879 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -7.392 2.344 8.464 1.00 0.00 H new ATOM 1696 N ASP A 112 -5.455 0.777 7.342 1.00 0.00 N ATOM 1697 CA ASP A 112 -4.891 -0.277 6.502 1.00 0.00 C ATOM 1698 C ASP A 112 -3.730 -0.967 7.209 1.00 0.00 C ATOM 1699 O ASP A 112 -3.550 -2.177 7.096 1.00 0.00 O ATOM 1700 CB ASP A 112 -4.409 0.299 5.170 1.00 0.00 C ATOM 1701 CG ASP A 112 -3.775 -0.758 4.285 1.00 0.00 C ATOM 1702 OD1 ASP A 112 -4.518 -1.447 3.560 1.00 0.00 O ATOM 1703 OD2 ASP A 112 -2.533 -0.896 4.313 1.00 0.00 O ATOM 0 H ASP A 112 -5.128 1.717 7.119 1.00 0.00 H new ATOM 0 HA ASP A 112 -5.675 -1.010 6.312 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -5.251 0.752 4.646 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -3.687 1.093 5.359 1.00 0.00 H new ATOM 1708 N ILE A 113 -2.975 -0.191 7.976 1.00 0.00 N ATOM 1709 CA ILE A 113 -1.753 -0.673 8.611 1.00 0.00 C ATOM 1710 C ILE A 113 -2.034 -1.848 9.549 1.00 0.00 C ATOM 1711 O ILE A 113 -1.265 -2.812 9.596 1.00 0.00 O ATOM 1712 CB ILE A 113 -1.050 0.463 9.386 1.00 0.00 C ATOM 1713 CG1 ILE A 113 -0.773 1.640 8.443 1.00 0.00 C ATOM 1714 CG2 ILE A 113 0.246 -0.036 10.017 1.00 0.00 C ATOM 1715 CD1 ILE A 113 -0.117 2.827 9.113 1.00 0.00 C ATOM 0 H ILE A 113 -3.190 0.786 8.175 1.00 0.00 H new ATOM 0 HA ILE A 113 -1.092 -1.021 7.817 1.00 0.00 H new ATOM 0 HB ILE A 113 -1.706 0.800 10.188 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -0.134 1.297 7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -1.713 1.963 7.996 1.00 0.00 H new ATOM 0 HG21 ILE A 113 0.725 0.780 10.558 1.00 0.00 H new ATOM 0 HG22 ILE A 113 0.025 -0.849 10.708 1.00 0.00 H new ATOM 0 HG23 ILE A 113 0.916 -0.396 9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 113 0.045 3.616 8.378 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.763 3.199 9.908 1.00 0.00 H new ATOM 0 HD13 ILE A 113 0.841 2.523 9.536 1.00 0.00 H new ATOM 1727 N GLU A 114 -3.140 -1.779 10.280 1.00 0.00 N ATOM 1728 CA GLU A 114 -3.503 -2.858 11.195 1.00 0.00 C ATOM 1729 C GLU A 114 -4.101 -4.042 10.436 1.00 0.00 C ATOM 1730 O GLU A 114 -4.058 -5.177 10.908 1.00 0.00 O ATOM 1731 CB GLU A 114 -4.467 -2.371 12.283 1.00 0.00 C ATOM 1732 CG GLU A 114 -3.802 -1.479 13.322 1.00 0.00 C ATOM 1733 CD GLU A 114 -4.715 -1.158 14.490 1.00 0.00 C ATOM 1734 OE1 GLU A 114 -4.749 -1.948 15.462 1.00 0.00 O ATOM 1735 OE2 GLU A 114 -5.393 -0.111 14.449 1.00 0.00 O ATOM 0 H GLU A 114 -3.795 -0.998 10.259 1.00 0.00 H new ATOM 0 HA GLU A 114 -2.588 -3.192 11.685 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -5.285 -1.824 11.815 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -4.906 -3.235 12.783 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -2.903 -1.970 13.694 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -3.485 -0.550 12.848 1.00 0.00 H new ATOM 1742 N ALA A 115 -4.637 -3.782 9.251 1.00 0.00 N ATOM 1743 CA ALA A 115 -5.191 -4.845 8.423 1.00 0.00 C ATOM 1744 C ALA A 115 -4.074 -5.597 7.711 1.00 0.00 C ATOM 1745 O ALA A 115 -4.066 -6.831 7.662 1.00 0.00 O ATOM 1746 CB ALA A 115 -6.182 -4.279 7.415 1.00 0.00 C ATOM 0 H ALA A 115 -4.700 -2.849 8.843 1.00 0.00 H new ATOM 0 HA ALA A 115 -5.723 -5.544 9.068 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -6.584 -5.089 6.806 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -6.996 -3.784 7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -5.676 -3.559 6.772 1.00 0.00 H new ATOM 1752 N LEU A 116 -3.116 -4.844 7.190 1.00 0.00 N ATOM 1753 CA LEU A 116 -1.990 -5.408 6.461 1.00 0.00 C ATOM 1754 C LEU A 116 -1.129 -6.258 7.392 1.00 0.00 C ATOM 1755 O LEU A 116 -0.629 -7.315 7.005 1.00 0.00 O ATOM 1756 CB LEU A 116 -1.155 -4.278 5.850 1.00 0.00 C ATOM 1757 CG LEU A 116 -0.094 -4.712 4.836 1.00 0.00 C ATOM 1758 CD1 LEU A 116 -0.748 -5.315 3.603 1.00 0.00 C ATOM 1759 CD2 LEU A 116 0.785 -3.532 4.447 1.00 0.00 C ATOM 0 H LEU A 116 -3.098 -3.827 7.261 1.00 0.00 H new ATOM 0 HA LEU A 116 -2.366 -6.046 5.661 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -1.830 -3.574 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -0.660 -3.739 6.658 1.00 0.00 H new ATOM 0 HG LEU A 116 0.533 -5.473 5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.022 -5.617 2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 116 -1.337 -6.185 3.892 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -1.399 -4.575 3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.534 -3.858 3.725 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.169 -2.750 4.002 1.00 0.00 H new ATOM 0 HD23 LEU A 116 1.283 -3.141 5.334 1.00 0.00 H new ATOM 1771 N GLN A 117 -0.985 -5.804 8.634 1.00 0.00 N ATOM 1772 CA GLN A 117 -0.171 -6.511 9.618 1.00 0.00 C ATOM 1773 C GLN A 117 -0.879 -7.779 10.094 1.00 0.00 C ATOM 1774 O GLN A 117 -0.240 -8.724 10.557 1.00 0.00 O ATOM 1775 CB GLN A 117 0.130 -5.601 10.812 1.00 0.00 C ATOM 1776 CG GLN A 117 -1.026 -5.475 11.792 1.00 0.00 C ATOM 1777 CD GLN A 117 -0.807 -4.398 12.833 1.00 0.00 C ATOM 1778 OE1 GLN A 117 -1.232 -4.533 13.980 1.00 0.00 O ATOM 1779 NE2 GLN A 117 -0.173 -3.308 12.434 1.00 0.00 N ATOM 0 H GLN A 117 -1.421 -4.950 8.983 1.00 0.00 H new ATOM 0 HA GLN A 117 0.768 -6.795 9.143 1.00 0.00 H new ATOM 0 HB2 GLN A 117 1.002 -5.986 11.340 1.00 0.00 H new ATOM 0 HB3 GLN A 117 0.393 -4.609 10.444 1.00 0.00 H new ATOM 0 HG2 GLN A 117 -1.940 -5.258 11.240 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -1.176 -6.431 12.293 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.164 -3.236 11.474 1.00 0.00 H new ATOM 0 HE22 GLN A 117 -0.021 -2.539 13.087 1.00 0.00 H new ATOM 1788 N GLY A 118 -2.204 -7.795 9.966 1.00 0.00 N ATOM 1789 CA GLY A 118 -2.983 -8.935 10.406 1.00 0.00 C ATOM 1790 C GLY A 118 -2.675 -10.182 9.604 1.00 0.00 C ATOM 1791 O GLY A 118 -2.433 -11.250 10.169 1.00 0.00 O ATOM 0 H GLY A 118 -2.751 -7.034 9.563 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -2.783 -9.125 11.461 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -4.044 -8.703 10.320 1.00 0.00 H new ATOM 1795 N VAL A 119 -2.665 -10.037 8.287 1.00 0.00 N ATOM 1796 CA VAL A 119 -2.406 -11.160 7.391 1.00 0.00 C ATOM 1797 C VAL A 119 -0.907 -11.422 7.249 1.00 0.00 C ATOM 1798 O VAL A 119 -0.492 -12.508 6.855 1.00 0.00 O ATOM 1799 CB VAL A 119 -3.038 -10.927 6.000 1.00 0.00 C ATOM 1800 CG1 VAL A 119 -4.556 -10.950 6.095 1.00 0.00 C ATOM 1801 CG2 VAL A 119 -2.563 -9.613 5.396 1.00 0.00 C ATOM 0 H VAL A 119 -2.834 -9.150 7.812 1.00 0.00 H new ATOM 0 HA VAL A 119 -2.870 -12.040 7.837 1.00 0.00 H new ATOM 0 HB VAL A 119 -2.717 -11.736 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 119 -4.985 -10.784 5.107 1.00 0.00 H new ATOM 0 HG12 VAL A 119 -4.882 -11.918 6.474 1.00 0.00 H new ATOM 0 HG13 VAL A 119 -4.890 -10.164 6.772 1.00 0.00 H new ATOM 0 HG21 VAL A 119 -3.023 -9.475 4.418 1.00 0.00 H new ATOM 0 HG22 VAL A 119 -2.846 -8.788 6.050 1.00 0.00 H new ATOM 0 HG23 VAL A 119 -1.479 -9.634 5.287 1.00 0.00 H new ATOM 1811 N SER A 120 -0.117 -10.419 7.606 1.00 0.00 N ATOM 1812 CA SER A 120 1.346 -10.439 7.492 1.00 0.00 C ATOM 1813 C SER A 120 2.017 -11.663 8.137 1.00 0.00 C ATOM 1814 O SER A 120 3.206 -11.894 7.921 1.00 0.00 O ATOM 1815 CB SER A 120 1.932 -9.157 8.096 1.00 0.00 C ATOM 1816 OG SER A 120 3.344 -9.116 7.951 1.00 0.00 O ATOM 0 H SER A 120 -0.477 -9.546 7.992 1.00 0.00 H new ATOM 0 HA SER A 120 1.560 -10.503 6.425 1.00 0.00 H new ATOM 0 HB2 SER A 120 1.489 -8.288 7.609 1.00 0.00 H new ATOM 0 HB3 SER A 120 1.671 -9.098 9.153 1.00 0.00 H new ATOM 0 HG SER A 120 3.696 -10.030 7.918 1.00 0.00 H new ATOM 1822 N LYS A 121 1.293 -12.432 8.935 1.00 0.00 N ATOM 1823 CA LYS A 121 1.946 -13.371 9.840 1.00 0.00 C ATOM 1824 C LYS A 121 1.558 -14.799 9.515 1.00 0.00 C ATOM 1825 O LYS A 121 2.300 -15.739 9.806 1.00 0.00 O ATOM 1826 CB LYS A 121 1.623 -13.046 11.303 1.00 0.00 C ATOM 1827 CG LYS A 121 0.137 -13.001 11.630 1.00 0.00 C ATOM 1828 CD LYS A 121 -0.090 -12.830 13.126 1.00 0.00 C ATOM 1829 CE LYS A 121 -1.566 -12.708 13.464 1.00 0.00 C ATOM 1830 NZ LYS A 121 -2.146 -11.433 12.964 1.00 0.00 N ATOM 0 H LYS A 121 0.274 -12.428 8.977 1.00 0.00 H new ATOM 0 HA LYS A 121 3.022 -13.269 9.700 1.00 0.00 H new ATOM 0 HB2 LYS A 121 2.099 -13.791 11.940 1.00 0.00 H new ATOM 0 HB3 LYS A 121 2.066 -12.082 11.553 1.00 0.00 H new ATOM 0 HG2 LYS A 121 -0.332 -12.178 11.091 1.00 0.00 H new ATOM 0 HG3 LYS A 121 -0.342 -13.919 11.289 1.00 0.00 H new ATOM 0 HD2 LYS A 121 0.335 -13.681 13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 121 0.437 -11.942 13.474 1.00 0.00 H new ATOM 0 HE2 LYS A 121 -2.108 -13.548 13.030 1.00 0.00 H new ATOM 0 HE3 LYS A 121 -1.697 -12.767 14.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 -3.094 -11.300 13.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 -1.535 -10.640 13.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 -2.215 -11.466 11.927 1.00 0.00 H new ATOM 1844 N PHE A 122 0.401 -14.960 8.905 1.00 0.00 N ATOM 1845 CA PHE A 122 -0.044 -16.266 8.479 1.00 0.00 C ATOM 1846 C PHE A 122 0.742 -16.681 7.248 1.00 0.00 C ATOM 1847 O PHE A 122 0.842 -15.908 6.297 1.00 0.00 O ATOM 1848 CB PHE A 122 -1.537 -16.239 8.163 1.00 0.00 C ATOM 1849 CG PHE A 122 -2.387 -15.757 9.304 1.00 0.00 C ATOM 1850 CD1 PHE A 122 -2.488 -16.497 10.471 1.00 0.00 C ATOM 1851 CD2 PHE A 122 -3.082 -14.563 9.209 1.00 0.00 C ATOM 1852 CE1 PHE A 122 -3.267 -16.053 11.522 1.00 0.00 C ATOM 1853 CE2 PHE A 122 -3.864 -14.116 10.255 1.00 0.00 C ATOM 1854 CZ PHE A 122 -3.956 -14.860 11.414 1.00 0.00 C ATOM 0 H PHE A 122 -0.246 -14.201 8.694 1.00 0.00 H new ATOM 0 HA PHE A 122 0.125 -16.985 9.280 1.00 0.00 H new ATOM 0 HB2 PHE A 122 -1.705 -15.596 7.299 1.00 0.00 H new ATOM 0 HB3 PHE A 122 -1.858 -17.242 7.881 1.00 0.00 H new ATOM 0 HD1 PHE A 122 -1.952 -17.431 10.560 1.00 0.00 H new ATOM 0 HD2 PHE A 122 -3.011 -13.975 8.306 1.00 0.00 H new ATOM 0 HE1 PHE A 122 -3.337 -16.638 12.427 1.00 0.00 H new ATOM 0 HE2 PHE A 122 -4.404 -13.185 10.167 1.00 0.00 H new ATOM 0 HZ PHE A 122 -4.565 -14.511 12.235 1.00 0.00 H new ATOM 1864 N PRO A 123 1.315 -17.894 7.252 1.00 0.00 N ATOM 1865 CA PRO A 123 2.145 -18.391 6.145 1.00 0.00 C ATOM 1866 C PRO A 123 1.483 -18.221 4.779 1.00 0.00 C ATOM 1867 O PRO A 123 2.158 -18.029 3.766 1.00 0.00 O ATOM 1868 CB PRO A 123 2.316 -19.873 6.472 1.00 0.00 C ATOM 1869 CG PRO A 123 2.201 -19.943 7.954 1.00 0.00 C ATOM 1870 CD PRO A 123 1.208 -18.881 8.343 1.00 0.00 C ATOM 0 HA PRO A 123 3.082 -17.840 6.068 1.00 0.00 H new ATOM 0 HB2 PRO A 123 1.551 -20.478 5.985 1.00 0.00 H new ATOM 0 HB3 PRO A 123 3.282 -20.246 6.131 1.00 0.00 H new ATOM 0 HG2 PRO A 123 1.863 -20.929 8.273 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.166 -19.768 8.429 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.199 -19.285 8.422 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.451 -18.439 9.309 1.00 0.00 H new ATOM 1878 N ALA A 124 0.160 -18.264 4.754 1.00 0.00 N ATOM 1879 CA ALA A 124 -0.569 -18.147 3.506 1.00 0.00 C ATOM 1880 C ALA A 124 -0.942 -16.697 3.186 1.00 0.00 C ATOM 1881 O ALA A 124 -1.284 -16.392 2.044 1.00 0.00 O ATOM 1882 CB ALA A 124 -1.818 -19.015 3.544 1.00 0.00 C ATOM 0 H ALA A 124 -0.426 -18.379 5.581 1.00 0.00 H new ATOM 0 HA ALA A 124 0.091 -18.495 2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -2.357 -18.919 2.601 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -1.533 -20.056 3.694 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -2.460 -18.693 4.364 1.00 0.00 H new ATOM 1888 N ARG A 125 -0.863 -15.786 4.162 1.00 0.00 N ATOM 1889 CA ARG A 125 -1.365 -14.443 3.943 1.00 0.00 C ATOM 1890 C ARG A 125 -0.207 -13.455 3.960 1.00 0.00 C ATOM 1891 O ARG A 125 -0.366 -12.280 3.636 1.00 0.00 O ATOM 1892 CB ARG A 125 -2.389 -14.081 5.025 1.00 0.00 C ATOM 1893 CG ARG A 125 -3.349 -15.210 5.386 1.00 0.00 C ATOM 1894 CD ARG A 125 -4.283 -15.574 4.242 1.00 0.00 C ATOM 1895 NE ARG A 125 -5.118 -16.730 4.577 1.00 0.00 N ATOM 1896 CZ ARG A 125 -6.450 -16.713 4.610 1.00 0.00 C ATOM 1897 NH1 ARG A 125 -7.114 -15.589 4.361 1.00 0.00 N ATOM 1898 NH2 ARG A 125 -7.114 -17.823 4.906 1.00 0.00 N ATOM 0 H ARG A 125 -0.465 -15.956 5.086 1.00 0.00 H new ATOM 0 HA ARG A 125 -1.856 -14.397 2.971 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -1.856 -13.772 5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -2.968 -13.222 4.687 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -2.775 -16.090 5.676 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -3.940 -14.915 6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -4.919 -14.721 4.005 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -3.698 -15.793 3.349 1.00 0.00 H new ATOM 0 HE ARG A 125 -4.648 -17.607 4.800 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -6.604 -14.733 4.143 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -8.134 -15.582 4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -6.605 -18.684 5.107 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -8.134 -17.816 4.933 1.00 0.00 H new ATOM 1912 N ILE A 126 0.977 -13.970 4.265 1.00 0.00 N ATOM 1913 CA ILE A 126 2.143 -13.134 4.517 1.00 0.00 C ATOM 1914 C ILE A 126 2.680 -12.610 3.206 1.00 0.00 C ATOM 1915 O ILE A 126 3.178 -11.491 3.113 1.00 0.00 O ATOM 1916 CB ILE A 126 3.257 -13.911 5.266 1.00 0.00 C ATOM 1917 CG1 ILE A 126 4.522 -13.054 5.412 1.00 0.00 C ATOM 1918 CG2 ILE A 126 3.576 -15.213 4.547 1.00 0.00 C ATOM 1919 CD1 ILE A 126 5.635 -13.732 6.180 1.00 0.00 C ATOM 0 H ILE A 126 1.155 -14.971 4.344 1.00 0.00 H new ATOM 0 HA ILE A 126 1.832 -12.305 5.153 1.00 0.00 H new ATOM 0 HB ILE A 126 2.891 -14.147 6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 126 4.887 -12.790 4.419 1.00 0.00 H new ATOM 0 HG13 ILE A 126 4.262 -12.122 5.914 1.00 0.00 H new ATOM 0 HG21 ILE A 126 4.360 -15.744 5.087 1.00 0.00 H new ATOM 0 HG22 ILE A 126 2.681 -15.833 4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 126 3.916 -14.996 3.535 1.00 0.00 H new ATOM 0 HD11 ILE A 126 6.494 -13.064 6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 126 5.290 -13.972 7.186 1.00 0.00 H new ATOM 0 HD13 ILE A 126 5.924 -14.650 5.668 1.00 0.00 H new ATOM 1931 N LYS A 127 2.519 -13.419 2.182 1.00 0.00 N ATOM 1932 CA LYS A 127 3.020 -13.090 0.866 1.00 0.00 C ATOM 1933 C LYS A 127 2.062 -12.145 0.147 1.00 0.00 C ATOM 1934 O LYS A 127 2.443 -11.467 -0.801 1.00 0.00 O ATOM 1935 CB LYS A 127 3.287 -14.374 0.073 1.00 0.00 C ATOM 1936 CG LYS A 127 2.311 -15.503 0.370 1.00 0.00 C ATOM 1937 CD LYS A 127 2.913 -16.854 0.012 1.00 0.00 C ATOM 1938 CE LYS A 127 1.967 -18.003 0.322 1.00 0.00 C ATOM 1939 NZ LYS A 127 2.631 -19.323 0.155 1.00 0.00 N ATOM 0 H LYS A 127 2.040 -14.318 2.237 1.00 0.00 H new ATOM 0 HA LYS A 127 3.969 -12.561 0.959 1.00 0.00 H new ATOM 0 HB2 LYS A 127 3.248 -14.145 -0.992 1.00 0.00 H new ATOM 0 HB3 LYS A 127 4.299 -14.717 0.288 1.00 0.00 H new ATOM 0 HG2 LYS A 127 2.044 -15.489 1.427 1.00 0.00 H new ATOM 0 HG3 LYS A 127 1.391 -15.350 -0.194 1.00 0.00 H new ATOM 0 HD2 LYS A 127 3.165 -16.868 -1.048 1.00 0.00 H new ATOM 0 HD3 LYS A 127 3.844 -16.993 0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 127 1.600 -17.907 1.344 1.00 0.00 H new ATOM 0 HE3 LYS A 127 1.099 -17.947 -0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 127 1.913 -20.052 -0.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 127 3.294 -19.280 -0.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 127 3.152 -19.562 1.023 1.00 0.00 H new ATOM 1953 N CYS A 128 0.818 -12.092 0.612 1.00 0.00 N ATOM 1954 CA CYS A 128 -0.137 -11.114 0.101 1.00 0.00 C ATOM 1955 C CYS A 128 0.021 -9.802 0.859 1.00 0.00 C ATOM 1956 O CYS A 128 -0.248 -8.726 0.329 1.00 0.00 O ATOM 1957 CB CYS A 128 -1.580 -11.618 0.224 1.00 0.00 C ATOM 1958 SG CYS A 128 -2.049 -12.883 -0.985 1.00 0.00 S ATOM 0 H CYS A 128 0.449 -12.709 1.336 1.00 0.00 H new ATOM 0 HA CYS A 128 0.072 -10.957 -0.957 1.00 0.00 H new ATOM 0 HB2 CYS A 128 -1.725 -12.022 1.226 1.00 0.00 H new ATOM 0 HB3 CYS A 128 -2.256 -10.769 0.122 1.00 0.00 H new ATOM 0 HG CYS A 128 -3.302 -12.739 -1.300 1.00 0.00 H new ATOM 1964 N ALA A 129 0.472 -9.907 2.102 1.00 0.00 N ATOM 1965 CA ALA A 129 0.711 -8.736 2.931 1.00 0.00 C ATOM 1966 C ALA A 129 1.984 -8.034 2.494 1.00 0.00 C ATOM 1967 O ALA A 129 1.991 -6.827 2.254 1.00 0.00 O ATOM 1968 CB ALA A 129 0.805 -9.129 4.394 1.00 0.00 C ATOM 0 H ALA A 129 0.680 -10.795 2.558 1.00 0.00 H new ATOM 0 HA ALA A 129 -0.128 -8.051 2.810 1.00 0.00 H new ATOM 0 HB1 ALA A 129 0.984 -8.240 4.999 1.00 0.00 H new ATOM 0 HB2 ALA A 129 -0.128 -9.598 4.705 1.00 0.00 H new ATOM 0 HB3 ALA A 129 1.627 -9.832 4.530 1.00 0.00 H new ATOM 1974 N THR A 130 3.057 -8.805 2.371 1.00 0.00 N ATOM 1975 CA THR A 130 4.329 -8.265 1.919 1.00 0.00 C ATOM 1976 C THR A 130 4.210 -7.780 0.483 1.00 0.00 C ATOM 1977 O THR A 130 4.937 -6.891 0.060 1.00 0.00 O ATOM 1978 CB THR A 130 5.461 -9.305 2.025 1.00 0.00 C ATOM 1979 OG1 THR A 130 5.037 -10.551 1.459 1.00 0.00 O ATOM 1980 CG2 THR A 130 5.876 -9.513 3.474 1.00 0.00 C ATOM 0 H THR A 130 3.070 -9.804 2.578 1.00 0.00 H new ATOM 0 HA THR A 130 4.581 -7.427 2.569 1.00 0.00 H new ATOM 0 HB THR A 130 6.321 -8.929 1.471 1.00 0.00 H new ATOM 0 HG1 THR A 130 4.606 -11.095 2.151 1.00 0.00 H new ATOM 0 HG21 THR A 130 6.676 -10.252 3.521 1.00 0.00 H new ATOM 0 HG22 THR A 130 6.228 -8.569 3.891 1.00 0.00 H new ATOM 0 HG23 THR A 130 5.021 -9.867 4.050 1.00 0.00 H new ATOM 1988 N LEU A 131 3.279 -8.375 -0.250 1.00 0.00 N ATOM 1989 CA LEU A 131 2.976 -7.952 -1.607 1.00 0.00 C ATOM 1990 C LEU A 131 2.654 -6.456 -1.642 1.00 0.00 C ATOM 1991 O LEU A 131 3.398 -5.672 -2.232 1.00 0.00 O ATOM 1992 CB LEU A 131 1.803 -8.780 -2.141 1.00 0.00 C ATOM 1993 CG LEU A 131 1.458 -8.600 -3.617 1.00 0.00 C ATOM 1994 CD1 LEU A 131 0.767 -9.845 -4.130 1.00 0.00 C ATOM 1995 CD2 LEU A 131 0.558 -7.396 -3.819 1.00 0.00 C ATOM 0 H LEU A 131 2.716 -9.160 0.078 1.00 0.00 H new ATOM 0 HA LEU A 131 3.845 -8.117 -2.244 1.00 0.00 H new ATOM 0 HB2 LEU A 131 2.023 -9.834 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 131 0.918 -8.538 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 131 2.382 -8.436 -4.172 1.00 0.00 H new ATOM 0 HD11 LEU A 131 0.521 -9.716 -5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 131 1.430 -10.703 -4.014 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -0.148 -10.014 -3.562 1.00 0.00 H new ATOM 0 HD21 LEU A 131 0.326 -7.289 -4.879 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -0.366 -7.534 -3.258 1.00 0.00 H new ATOM 0 HD23 LEU A 131 1.066 -6.499 -3.466 1.00 0.00 H new ATOM 2007 N SER A 132 1.563 -6.064 -0.990 1.00 0.00 N ATOM 2008 CA SER A 132 1.140 -4.668 -0.973 1.00 0.00 C ATOM 2009 C SER A 132 2.175 -3.789 -0.269 1.00 0.00 C ATOM 2010 O SER A 132 2.396 -2.639 -0.652 1.00 0.00 O ATOM 2011 CB SER A 132 -0.212 -4.538 -0.271 1.00 0.00 C ATOM 2012 OG SER A 132 -1.186 -5.379 -0.870 1.00 0.00 O ATOM 0 H SER A 132 0.956 -6.694 -0.466 1.00 0.00 H new ATOM 0 HA SER A 132 1.046 -4.330 -2.005 1.00 0.00 H new ATOM 0 HB2 SER A 132 -0.104 -4.796 0.782 1.00 0.00 H new ATOM 0 HB3 SER A 132 -0.548 -3.502 -0.312 1.00 0.00 H new ATOM 0 HG SER A 132 -2.073 -5.156 -0.517 1.00 0.00 H new ATOM 2018 N TRP A 133 2.818 -4.354 0.743 1.00 0.00 N ATOM 2019 CA TRP A 133 3.794 -3.630 1.546 1.00 0.00 C ATOM 2020 C TRP A 133 5.021 -3.274 0.705 1.00 0.00 C ATOM 2021 O TRP A 133 5.361 -2.101 0.538 1.00 0.00 O ATOM 2022 CB TRP A 133 4.188 -4.489 2.757 1.00 0.00 C ATOM 2023 CG TRP A 133 5.140 -3.831 3.712 1.00 0.00 C ATOM 2024 CD1 TRP A 133 5.539 -2.527 3.712 1.00 0.00 C ATOM 2025 CD2 TRP A 133 5.803 -4.452 4.821 1.00 0.00 C ATOM 2026 NE1 TRP A 133 6.422 -2.303 4.738 1.00 0.00 N ATOM 2027 CE2 TRP A 133 6.595 -3.466 5.438 1.00 0.00 C ATOM 2028 CE3 TRP A 133 5.803 -5.744 5.351 1.00 0.00 C ATOM 2029 CZ2 TRP A 133 7.383 -3.733 6.554 1.00 0.00 C ATOM 2030 CZ3 TRP A 133 6.584 -6.008 6.461 1.00 0.00 C ATOM 2031 CH2 TRP A 133 7.362 -5.005 7.053 1.00 0.00 C ATOM 0 H TRP A 133 2.679 -5.323 1.030 1.00 0.00 H new ATOM 0 HA TRP A 133 3.354 -2.698 1.900 1.00 0.00 H new ATOM 0 HB2 TRP A 133 3.283 -4.764 3.299 1.00 0.00 H new ATOM 0 HB3 TRP A 133 4.638 -5.414 2.397 1.00 0.00 H new ATOM 0 HD1 TRP A 133 5.208 -1.779 3.007 1.00 0.00 H new ATOM 0 HE1 TRP A 133 6.876 -1.413 4.945 1.00 0.00 H new ATOM 0 HE3 TRP A 133 5.204 -6.523 4.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 133 7.989 -2.963 7.009 1.00 0.00 H new ATOM 0 HZ3 TRP A 133 6.594 -7.004 6.878 1.00 0.00 H new ATOM 0 HH2 TRP A 133 7.958 -5.242 7.922 1.00 0.00 H new ATOM 2042 N LYS A 134 5.657 -4.295 0.147 1.00 0.00 N ATOM 2043 CA LYS A 134 6.892 -4.112 -0.604 1.00 0.00 C ATOM 2044 C LYS A 134 6.644 -3.327 -1.885 1.00 0.00 C ATOM 2045 O LYS A 134 7.499 -2.564 -2.320 1.00 0.00 O ATOM 2046 CB LYS A 134 7.524 -5.467 -0.935 1.00 0.00 C ATOM 2047 CG LYS A 134 7.950 -6.267 0.288 1.00 0.00 C ATOM 2048 CD LYS A 134 9.127 -5.623 1.003 1.00 0.00 C ATOM 2049 CE LYS A 134 10.372 -5.627 0.132 1.00 0.00 C ATOM 2050 NZ LYS A 134 11.550 -5.056 0.834 1.00 0.00 N ATOM 0 H LYS A 134 5.337 -5.262 0.200 1.00 0.00 H new ATOM 0 HA LYS A 134 7.580 -3.542 0.020 1.00 0.00 H new ATOM 0 HB2 LYS A 134 6.812 -6.057 -1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 134 8.394 -5.305 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 134 7.109 -6.353 0.977 1.00 0.00 H new ATOM 0 HG3 LYS A 134 8.219 -7.279 -0.015 1.00 0.00 H new ATOM 0 HD2 LYS A 134 8.874 -4.598 1.274 1.00 0.00 H new ATOM 0 HD3 LYS A 134 9.328 -6.158 1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 134 10.595 -6.649 -0.176 1.00 0.00 H new ATOM 0 HE3 LYS A 134 10.180 -5.055 -0.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 134 12.376 -5.079 0.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 11.349 -4.072 1.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 11.751 -5.616 1.687 1.00 0.00 H new ATOM 2064 N ALA A 135 5.468 -3.507 -2.476 1.00 0.00 N ATOM 2065 CA ALA A 135 5.136 -2.839 -3.729 1.00 0.00 C ATOM 2066 C ALA A 135 4.971 -1.337 -3.531 1.00 0.00 C ATOM 2067 O ALA A 135 5.359 -0.544 -4.388 1.00 0.00 O ATOM 2068 CB ALA A 135 3.871 -3.428 -4.334 1.00 0.00 C ATOM 0 H ALA A 135 4.730 -4.108 -2.109 1.00 0.00 H new ATOM 0 HA ALA A 135 5.965 -3.002 -4.417 1.00 0.00 H new ATOM 0 HB1 ALA A 135 3.641 -2.915 -5.268 1.00 0.00 H new ATOM 0 HB2 ALA A 135 4.022 -4.490 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 135 3.042 -3.302 -3.638 1.00 0.00 H new ATOM 2074 N LEU A 136 4.416 -0.947 -2.391 1.00 0.00 N ATOM 2075 CA LEU A 136 4.151 0.460 -2.131 1.00 0.00 C ATOM 2076 C LEU A 136 5.438 1.158 -1.706 1.00 0.00 C ATOM 2077 O LEU A 136 5.700 2.292 -2.107 1.00 0.00 O ATOM 2078 CB LEU A 136 3.069 0.623 -1.058 1.00 0.00 C ATOM 2079 CG LEU A 136 2.378 1.993 -1.028 1.00 0.00 C ATOM 2080 CD1 LEU A 136 1.529 2.199 -2.277 1.00 0.00 C ATOM 2081 CD2 LEU A 136 1.520 2.128 0.218 1.00 0.00 C ATOM 0 H LEU A 136 4.143 -1.579 -1.638 1.00 0.00 H new ATOM 0 HA LEU A 136 3.784 0.921 -3.048 1.00 0.00 H new ATOM 0 HB2 LEU A 136 2.311 -0.145 -1.210 1.00 0.00 H new ATOM 0 HB3 LEU A 136 3.518 0.439 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 136 3.150 2.762 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 136 1.049 3.177 -2.233 1.00 0.00 H new ATOM 0 HD12 LEU A 136 2.164 2.145 -3.161 1.00 0.00 H new ATOM 0 HD13 LEU A 136 0.766 1.422 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 136 1.037 3.105 0.223 1.00 0.00 H new ATOM 0 HD22 LEU A 136 0.759 1.347 0.222 1.00 0.00 H new ATOM 0 HD23 LEU A 136 2.147 2.028 1.104 1.00 0.00 H new ATOM 2093 N GLU A 137 6.254 0.461 -0.915 1.00 0.00 N ATOM 2094 CA GLU A 137 7.539 1.004 -0.481 1.00 0.00 C ATOM 2095 C GLU A 137 8.517 1.074 -1.648 1.00 0.00 C ATOM 2096 O GLU A 137 9.484 1.829 -1.615 1.00 0.00 O ATOM 2097 CB GLU A 137 8.161 0.161 0.636 1.00 0.00 C ATOM 2098 CG GLU A 137 7.381 0.162 1.941 1.00 0.00 C ATOM 2099 CD GLU A 137 8.185 -0.426 3.088 1.00 0.00 C ATOM 2100 OE1 GLU A 137 9.088 -1.255 2.831 1.00 0.00 O ATOM 2101 OE2 GLU A 137 7.934 -0.052 4.254 1.00 0.00 O ATOM 0 H GLU A 137 6.049 -0.475 -0.564 1.00 0.00 H new ATOM 0 HA GLU A 137 7.346 2.007 -0.100 1.00 0.00 H new ATOM 0 HB2 GLU A 137 8.257 -0.867 0.286 1.00 0.00 H new ATOM 0 HB3 GLU A 137 9.169 0.527 0.831 1.00 0.00 H new ATOM 0 HG2 GLU A 137 7.091 1.183 2.188 1.00 0.00 H new ATOM 0 HG3 GLU A 137 6.461 -0.409 1.814 1.00 0.00 H new ATOM 2108 N LYS A 138 8.271 0.274 -2.677 1.00 0.00 N ATOM 2109 CA LYS A 138 9.169 0.228 -3.825 1.00 0.00 C ATOM 2110 C LYS A 138 8.809 1.295 -4.855 1.00 0.00 C ATOM 2111 O LYS A 138 9.653 1.706 -5.653 1.00 0.00 O ATOM 2112 CB LYS A 138 9.147 -1.163 -4.468 1.00 0.00 C ATOM 2113 CG LYS A 138 10.077 -1.289 -5.661 1.00 0.00 C ATOM 2114 CD LYS A 138 10.163 -2.714 -6.174 1.00 0.00 C ATOM 2115 CE LYS A 138 11.048 -2.796 -7.406 1.00 0.00 C ATOM 2116 NZ LYS A 138 12.393 -2.209 -7.159 1.00 0.00 N ATOM 0 H LYS A 138 7.465 -0.347 -2.741 1.00 0.00 H new ATOM 0 HA LYS A 138 10.178 0.434 -3.467 1.00 0.00 H new ATOM 0 HB2 LYS A 138 9.425 -1.906 -3.720 1.00 0.00 H new ATOM 0 HB3 LYS A 138 8.129 -1.393 -4.784 1.00 0.00 H new ATOM 0 HG2 LYS A 138 9.728 -0.637 -6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 138 11.073 -0.945 -5.381 1.00 0.00 H new ATOM 0 HD2 LYS A 138 10.560 -3.362 -5.393 1.00 0.00 H new ATOM 0 HD3 LYS A 138 9.164 -3.079 -6.414 1.00 0.00 H new ATOM 0 HE2 LYS A 138 11.156 -3.838 -7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 138 10.569 -2.272 -8.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 138 13.040 -2.489 -7.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 138 12.319 -1.172 -7.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 138 12.761 -2.555 -6.250 1.00 0.00 H new ATOM 2130 N GLY A 139 7.562 1.751 -4.820 1.00 0.00 N ATOM 2131 CA GLY A 139 7.095 2.722 -5.793 1.00 0.00 C ATOM 2132 C GLY A 139 7.861 4.032 -5.732 1.00 0.00 C ATOM 2133 O GLY A 139 8.500 4.435 -6.705 1.00 0.00 O ATOM 0 H GLY A 139 6.864 1.465 -4.133 1.00 0.00 H new ATOM 0 HA2 GLY A 139 7.186 2.299 -6.794 1.00 0.00 H new ATOM 0 HA3 GLY A 139 6.036 2.918 -5.625 1.00 0.00 H new ATOM 2137 N VAL A 140 7.814 4.690 -4.583 1.00 0.00 N ATOM 2138 CA VAL A 140 8.467 5.984 -4.418 1.00 0.00 C ATOM 2139 C VAL A 140 9.639 5.884 -3.449 1.00 0.00 C ATOM 2140 O VAL A 140 10.198 6.903 -3.040 1.00 0.00 O ATOM 2141 CB VAL A 140 7.476 7.056 -3.905 1.00 0.00 C ATOM 2142 CG1 VAL A 140 6.396 7.332 -4.939 1.00 0.00 C ATOM 2143 CG2 VAL A 140 6.853 6.625 -2.584 1.00 0.00 C ATOM 0 H VAL A 140 7.331 4.351 -3.751 1.00 0.00 H new ATOM 0 HA VAL A 140 8.834 6.283 -5.400 1.00 0.00 H new ATOM 0 HB VAL A 140 8.032 7.978 -3.738 1.00 0.00 H new ATOM 0 HG11 VAL A 140 5.711 8.089 -4.557 1.00 0.00 H new ATOM 0 HG12 VAL A 140 6.857 7.691 -5.859 1.00 0.00 H new ATOM 0 HG13 VAL A 140 5.845 6.414 -5.144 1.00 0.00 H new ATOM 0 HG21 VAL A 140 6.160 7.393 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 140 6.316 5.687 -2.724 1.00 0.00 H new ATOM 0 HG23 VAL A 140 7.637 6.486 -1.840 1.00 0.00 H new ATOM 2153 N ALA A 141 10.012 4.642 -3.120 1.00 0.00 N ATOM 2154 CA ALA A 141 11.012 4.355 -2.086 1.00 0.00 C ATOM 2155 C ALA A 141 10.457 4.714 -0.711 1.00 0.00 C ATOM 2156 O ALA A 141 9.289 5.084 -0.587 1.00 0.00 O ATOM 2157 CB ALA A 141 12.328 5.078 -2.357 1.00 0.00 C ATOM 0 H ALA A 141 9.629 3.807 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 141 11.228 3.287 -2.108 1.00 0.00 H new ATOM 0 HB1 ALA A 141 13.043 4.840 -1.569 1.00 0.00 H new ATOM 0 HB2 ALA A 141 12.728 4.757 -3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 141 12.155 6.154 -2.377 1.00 0.00 H new ATOM 2163 N LYS A 142 11.273 4.592 0.327 1.00 0.00 N ATOM 2164 CA LYS A 142 10.808 4.901 1.672 1.00 0.00 C ATOM 2165 C LYS A 142 11.916 5.513 2.512 1.00 0.00 C ATOM 2166 O LYS A 142 13.090 5.464 2.129 1.00 0.00 O ATOM 2167 CB LYS A 142 10.262 3.653 2.363 1.00 0.00 C ATOM 2168 CG LYS A 142 11.307 2.617 2.741 1.00 0.00 C ATOM 2169 CD LYS A 142 10.681 1.555 3.623 1.00 0.00 C ATOM 2170 CE LYS A 142 11.650 0.450 3.994 1.00 0.00 C ATOM 2171 NZ LYS A 142 10.959 -0.629 4.749 1.00 0.00 N ATOM 0 H LYS A 142 12.244 4.287 0.267 1.00 0.00 H new ATOM 0 HA LYS A 142 10.003 5.630 1.577 1.00 0.00 H new ATOM 0 HB2 LYS A 142 9.732 3.958 3.265 1.00 0.00 H new ATOM 0 HB3 LYS A 142 9.529 3.184 1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 142 11.720 2.159 1.842 1.00 0.00 H new ATOM 0 HG3 LYS A 142 12.135 3.096 3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 142 10.304 2.022 4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 142 9.823 1.122 3.108 1.00 0.00 H new ATOM 0 HE2 LYS A 142 12.100 0.037 3.091 1.00 0.00 H new ATOM 0 HE3 LYS A 142 12.461 0.859 4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 142 11.664 -1.287 5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 142 10.410 -0.211 5.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 142 10.319 -1.144 4.111 1.00 0.00 H new ATOM 2185 N GLU A 143 11.528 6.082 3.657 1.00 0.00 N ATOM 2186 CA GLU A 143 12.468 6.727 4.572 1.00 0.00 C ATOM 2187 C GLU A 143 13.180 7.879 3.870 1.00 0.00 C ATOM 2188 O GLU A 143 12.597 8.938 3.655 1.00 0.00 O ATOM 2189 CB GLU A 143 13.486 5.714 5.115 1.00 0.00 C ATOM 2190 CG GLU A 143 12.870 4.597 5.944 1.00 0.00 C ATOM 2191 CD GLU A 143 13.863 3.498 6.270 1.00 0.00 C ATOM 2192 OE1 GLU A 143 15.039 3.812 6.557 1.00 0.00 O ATOM 2193 OE2 GLU A 143 13.471 2.313 6.252 1.00 0.00 O ATOM 0 H GLU A 143 10.558 6.108 3.973 1.00 0.00 H new ATOM 0 HA GLU A 143 11.907 7.126 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 143 14.027 5.274 4.277 1.00 0.00 H new ATOM 0 HB3 GLU A 143 14.219 6.243 5.725 1.00 0.00 H new ATOM 0 HG2 GLU A 143 12.476 5.013 6.871 1.00 0.00 H new ATOM 0 HG3 GLU A 143 12.026 4.170 5.402 1.00 0.00 H new ATOM 2200 N GLU A 144 14.437 7.667 3.511 1.00 0.00 N ATOM 2201 CA GLU A 144 15.177 8.620 2.699 1.00 0.00 C ATOM 2202 C GLU A 144 16.000 7.868 1.664 1.00 0.00 C ATOM 2203 O GLU A 144 16.950 8.405 1.093 1.00 0.00 O ATOM 2204 CB GLU A 144 16.094 9.505 3.555 1.00 0.00 C ATOM 2205 CG GLU A 144 15.357 10.529 4.410 1.00 0.00 C ATOM 2206 CD GLU A 144 15.310 10.152 5.876 1.00 0.00 C ATOM 2207 OE1 GLU A 144 14.547 9.238 6.242 1.00 0.00 O ATOM 2208 OE2 GLU A 144 16.040 10.765 6.676 1.00 0.00 O ATOM 0 H GLU A 144 14.969 6.837 3.772 1.00 0.00 H new ATOM 0 HA GLU A 144 14.459 9.273 2.203 1.00 0.00 H new ATOM 0 HB2 GLU A 144 16.691 8.867 4.207 1.00 0.00 H new ATOM 0 HB3 GLU A 144 16.789 10.029 2.899 1.00 0.00 H new ATOM 0 HG2 GLU A 144 15.843 11.499 4.305 1.00 0.00 H new ATOM 0 HG3 GLU A 144 14.339 10.641 4.036 1.00 0.00 H new