USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 564 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 16 THR OG1 : rot -68:sc= -0.0161 USER MOD Set 1.2: A 20 HIS : no HD1:sc= -4.25! C(o=-6.5!,f=-4.9!) USER MOD Set 1.3: A 67 ASN : amide:sc= -2.2! K(o=-6.5!,f=-4.9) USER MOD Set 1.4: A 69 GLN : amide:sc= 0 K(o=-6.5,f=-4.9) USER MOD Set 2.1: A 23 GLN : amide:sc= -2.2! C(o=-8.7!,f=-12!) USER MOD Set 2.2: A 28 GLN : amide:sc= 1.11 K(o=-8.7,f=-6.1) USER MOD Set 2.3: A 33 HIS : no HD1:sc= -7.6! C(o=-8.7!,f=-6.1!) USER MOD Set 3.1: A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 8 ASN : amide:sc= 0.00729 K(o=0.0073,f=-3.5!) USER MOD Single : A 1 CYS N :NH3+ -137:sc= 0.406 (180deg=0.0486) USER MOD Single : A 1 CYS SG : rot 180:sc= -0.335 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0.0019 USER MOD Single : A 9 TYR OH : rot -40:sc= 0.00443 USER MOD Single : A 12 ASN : amide:sc= -2.91! C(o=-2.9!,f=-12!) USER MOD Single : A 18 SER OG : rot 70:sc= 1.2 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.21) USER MOD Single : A 26 SER OG : rot 180:sc= 0.0094 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -1.08 X(o=-1.1,f=-1.3) USER MOD Single : A 32 THR OG1 : rot 48:sc= 0.35 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.41) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.0571 X(o=0.057,f=-0.26) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.07) USER MOD Single : A 45 ASN : amide:sc= -1.48 K(o=-1.5,f=-4.4!) USER MOD Single : A 49 ASN : amide:sc= -0.393 K(o=-0.39,f=-7.2!) USER MOD Single : A 50 TYR OH : rot 78:sc= 1.32 USER MOD Single : A 53 ASN : amide:sc= 2.58 K(o=2.6,f=-13!) USER MOD Single : A 57 LYS NZ :NH3+ -141:sc= 1.23 (180deg=-0.627) USER MOD Single : A 64 HIS : no HD1:sc= -1.5 X(o=-1.5,f=-1.9) USER MOD Single : A 65 THR OG1 : rot -79:sc= -0.292 USER MOD Single : A 66 THR OG1 : rot 149:sc= -2.39! USER MOD Single : A 68 SER OG : rot 180:sc= 0.0686 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0222 USER MOD Single : A 76 LYS NZ :NH3+ -144:sc= -0.592 (180deg=-2.39!) USER MOD ----------------------------------------------------------------- ATOM 55 N CYS A 1 11.101 26.140 -21.244 1.00 0.00 N ATOM 56 CA CYS A 1 11.903 25.971 -20.048 1.00 0.00 C ATOM 57 C CYS A 1 10.999 25.527 -18.909 1.00 0.00 C ATOM 58 O CYS A 1 9.809 25.294 -19.119 1.00 0.00 O ATOM 59 CB CYS A 1 12.639 27.268 -19.699 1.00 0.00 C ATOM 60 SG CYS A 1 11.562 28.728 -19.583 1.00 0.00 S ATOM 0 H1 CYS A 1 11.603 25.734 -22.059 1.00 0.00 H new ATOM 0 H2 CYS A 1 10.189 25.655 -21.122 1.00 0.00 H new ATOM 0 H3 CYS A 1 10.934 27.153 -21.410 1.00 0.00 H new ATOM 0 HA CYS A 1 12.662 25.208 -20.221 1.00 0.00 H new ATOM 0 HB2 CYS A 1 13.155 27.135 -18.748 1.00 0.00 H new ATOM 0 HB3 CYS A 1 13.403 27.453 -20.454 1.00 0.00 H new ATOM 0 HG CYS A 1 12.277 29.772 -19.282 1.00 0.00 H new ATOM 65 N LEU A 2 11.549 25.362 -17.722 1.00 0.00 N ATOM 66 CA LEU A 2 10.740 24.992 -16.578 1.00 0.00 C ATOM 67 C LEU A 2 10.249 26.232 -15.831 1.00 0.00 C ATOM 68 O LEU A 2 10.669 27.353 -16.124 1.00 0.00 O ATOM 69 CB LEU A 2 11.540 24.080 -15.657 1.00 0.00 C ATOM 70 CG LEU A 2 10.761 23.425 -14.529 1.00 0.00 C ATOM 71 CD1 LEU A 2 9.506 22.760 -15.072 1.00 0.00 C ATOM 72 CD2 LEU A 2 11.641 22.416 -13.813 1.00 0.00 C ATOM 0 H LEU A 2 12.543 25.477 -17.525 1.00 0.00 H new ATOM 0 HA LEU A 2 9.860 24.452 -16.929 1.00 0.00 H new ATOM 0 HB2 LEU A 2 11.995 23.295 -16.261 1.00 0.00 H new ATOM 0 HB3 LEU A 2 12.354 24.660 -15.221 1.00 0.00 H new ATOM 0 HG LEU A 2 10.457 24.189 -13.814 1.00 0.00 H new ATOM 0 HD11 LEU A 2 8.957 22.295 -14.253 1.00 0.00 H new ATOM 0 HD12 LEU A 2 8.876 23.509 -15.552 1.00 0.00 H new ATOM 0 HD13 LEU A 2 9.784 21.999 -15.801 1.00 0.00 H new ATOM 0 HD21 LEU A 2 11.077 21.950 -13.005 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.965 21.651 -14.518 1.00 0.00 H new ATOM 0 HD23 LEU A 2 12.514 22.922 -13.401 1.00 0.00 H new ATOM 84 N LYS A 3 9.354 26.008 -14.880 1.00 0.00 N ATOM 85 CA LYS A 3 8.756 27.067 -14.083 1.00 0.00 C ATOM 86 C LYS A 3 8.752 26.664 -12.611 1.00 0.00 C ATOM 87 O LYS A 3 7.699 26.606 -11.972 1.00 0.00 O ATOM 88 CB LYS A 3 7.323 27.333 -14.561 1.00 0.00 C ATOM 89 CG LYS A 3 6.511 26.059 -14.759 1.00 0.00 C ATOM 90 CD LYS A 3 5.012 26.322 -14.875 1.00 0.00 C ATOM 91 CE LYS A 3 4.691 27.430 -15.864 1.00 0.00 C ATOM 92 NZ LYS A 3 3.225 27.640 -16.011 1.00 0.00 N1+ ATOM 0 H LYS A 3 9.019 25.075 -14.638 1.00 0.00 H new ATOM 0 HA LYS A 3 9.341 27.979 -14.200 1.00 0.00 H new ATOM 0 HB2 LYS A 3 6.817 27.970 -13.835 1.00 0.00 H new ATOM 0 HB3 LYS A 3 7.357 27.885 -15.500 1.00 0.00 H new ATOM 0 HG2 LYS A 3 6.856 25.550 -15.659 1.00 0.00 H new ATOM 0 HG3 LYS A 3 6.693 25.385 -13.922 1.00 0.00 H new ATOM 0 HD2 LYS A 3 4.508 25.406 -15.184 1.00 0.00 H new ATOM 0 HD3 LYS A 3 4.616 26.588 -13.895 1.00 0.00 H new ATOM 0 HE2 LYS A 3 5.159 28.357 -15.533 1.00 0.00 H new ATOM 0 HE3 LYS A 3 5.121 27.185 -16.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 3.051 28.404 -16.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 2.781 26.763 -16.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 2.817 27.900 -15.090 1.00 0.00 H new ATOM 106 N GLY A 4 9.929 26.366 -12.083 1.00 0.00 N ATOM 107 CA GLY A 4 10.026 25.892 -10.717 1.00 0.00 C ATOM 108 C GLY A 4 9.588 24.446 -10.594 1.00 0.00 C ATOM 109 O GLY A 4 10.337 23.537 -10.945 1.00 0.00 O ATOM 0 H GLY A 4 10.819 26.444 -12.575 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.054 25.992 -10.369 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.409 26.516 -10.070 1.00 0.00 H new ATOM 113 N THR A 5 8.366 24.236 -10.121 1.00 0.00 N ATOM 114 CA THR A 5 7.813 22.891 -10.003 1.00 0.00 C ATOM 115 C THR A 5 7.300 22.399 -11.351 1.00 0.00 C ATOM 116 O THR A 5 7.213 21.192 -11.575 1.00 0.00 O ATOM 117 CB THR A 5 6.667 22.831 -8.972 1.00 0.00 C ATOM 118 OG1 THR A 5 5.722 23.886 -9.209 1.00 0.00 O ATOM 119 CG2 THR A 5 7.202 22.926 -7.555 1.00 0.00 C ATOM 0 H THR A 5 7.739 24.979 -9.813 1.00 0.00 H new ATOM 0 HA THR A 5 8.621 22.245 -9.660 1.00 0.00 H new ATOM 0 HB THR A 5 6.165 21.871 -9.087 1.00 0.00 H new ATOM 0 HG1 THR A 5 5.000 23.833 -8.548 1.00 0.00 H new ATOM 0 HG21 THR A 5 6.373 22.881 -6.849 1.00 0.00 H new ATOM 0 HG22 THR A 5 7.884 22.096 -7.367 1.00 0.00 H new ATOM 0 HG23 THR A 5 7.735 23.869 -7.430 1.00 0.00 H new ATOM 127 N GLY A 6 6.983 23.343 -12.239 1.00 0.00 N ATOM 128 CA GLY A 6 6.564 23.014 -13.592 1.00 0.00 C ATOM 129 C GLY A 6 5.535 21.911 -13.669 1.00 0.00 C ATOM 130 O GLY A 6 5.790 20.857 -14.256 1.00 0.00 O ATOM 0 H GLY A 6 7.010 24.343 -12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.157 23.909 -14.062 1.00 0.00 H new ATOM 0 HA3 GLY A 6 7.440 22.720 -14.171 1.00 0.00 H new ATOM 134 N GLU A 7 4.371 22.164 -13.099 1.00 0.00 N ATOM 135 CA GLU A 7 3.304 21.180 -13.075 1.00 0.00 C ATOM 136 C GLU A 7 2.677 21.066 -14.452 1.00 0.00 C ATOM 137 O GLU A 7 2.489 19.967 -14.975 1.00 0.00 O ATOM 138 CB GLU A 7 2.250 21.569 -12.038 1.00 0.00 C ATOM 139 CG GLU A 7 2.833 21.853 -10.665 1.00 0.00 C ATOM 140 CD GLU A 7 1.769 22.097 -9.615 1.00 0.00 C ATOM 141 OE1 GLU A 7 1.341 23.262 -9.447 1.00 0.00 O ATOM 142 OE2 GLU A 7 1.357 21.130 -8.946 1.00 0.00 O1- ATOM 0 H GLU A 7 4.140 23.047 -12.644 1.00 0.00 H new ATOM 0 HA GLU A 7 3.719 20.211 -12.797 1.00 0.00 H new ATOM 0 HB2 GLU A 7 1.715 22.452 -12.388 1.00 0.00 H new ATOM 0 HB3 GLU A 7 1.518 20.765 -11.955 1.00 0.00 H new ATOM 0 HG2 GLU A 7 3.454 21.012 -10.358 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.484 22.725 -10.725 1.00 0.00 H new ATOM 149 N ASN A 8 2.381 22.213 -15.046 1.00 0.00 N ATOM 150 CA ASN A 8 1.771 22.249 -16.364 1.00 0.00 C ATOM 151 C ASN A 8 2.601 23.085 -17.328 1.00 0.00 C ATOM 152 O ASN A 8 2.142 23.446 -18.408 1.00 0.00 O ATOM 153 CB ASN A 8 0.348 22.803 -16.280 1.00 0.00 C ATOM 154 CG ASN A 8 0.309 24.290 -15.955 1.00 0.00 C ATOM 155 OD1 ASN A 8 1.205 24.827 -15.298 1.00 0.00 O ATOM 156 ND2 ASN A 8 -0.733 24.965 -16.408 1.00 0.00 N ATOM 0 H ASN A 8 2.554 23.130 -14.635 1.00 0.00 H new ATOM 0 HA ASN A 8 1.731 21.228 -16.743 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -0.160 22.630 -17.229 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -0.205 22.255 -15.517 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -0.816 25.964 -16.218 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -1.455 24.487 -16.948 1.00 0.00 H new ATOM 163 N TYR A 9 3.843 23.349 -16.891 1.00 0.00 N ATOM 164 CA TYR A 9 4.816 24.229 -17.570 1.00 0.00 C ATOM 165 C TYR A 9 4.533 24.437 -19.065 1.00 0.00 C ATOM 166 O TYR A 9 4.177 25.538 -19.472 1.00 0.00 O ATOM 167 CB TYR A 9 6.255 23.711 -17.344 1.00 0.00 C ATOM 168 CG TYR A 9 6.574 22.353 -17.953 1.00 0.00 C ATOM 169 CD1 TYR A 9 5.745 21.252 -17.757 1.00 0.00 C ATOM 170 CD2 TYR A 9 7.713 22.182 -18.730 1.00 0.00 C ATOM 171 CE1 TYR A 9 6.041 20.027 -18.320 1.00 0.00 C ATOM 172 CE2 TYR A 9 8.013 20.958 -19.296 1.00 0.00 C ATOM 173 CZ TYR A 9 7.175 19.884 -19.089 1.00 0.00 C ATOM 174 OH TYR A 9 7.459 18.669 -19.665 1.00 0.00 O ATOM 0 H TYR A 9 4.212 22.945 -16.030 1.00 0.00 H new ATOM 0 HA TYR A 9 4.707 25.213 -17.115 1.00 0.00 H new ATOM 0 HB2 TYR A 9 6.952 24.443 -17.751 1.00 0.00 H new ATOM 0 HB3 TYR A 9 6.438 23.659 -16.271 1.00 0.00 H new ATOM 0 HD1 TYR A 9 4.855 21.358 -17.154 1.00 0.00 H new ATOM 0 HD2 TYR A 9 8.375 23.020 -18.894 1.00 0.00 H new ATOM 0 HE1 TYR A 9 5.386 19.184 -18.158 1.00 0.00 H new ATOM 0 HE2 TYR A 9 8.902 20.843 -19.899 1.00 0.00 H new ATOM 0 HH TYR A 9 7.255 17.950 -19.031 1.00 0.00 H new ATOM 184 N ARG A 10 4.743 23.405 -19.874 1.00 0.00 N ATOM 185 CA ARG A 10 4.370 23.418 -21.273 1.00 0.00 C ATOM 186 C ARG A 10 3.721 22.091 -21.649 1.00 0.00 C ATOM 187 O ARG A 10 2.497 21.977 -21.704 1.00 0.00 O ATOM 188 CB ARG A 10 5.593 23.669 -22.157 1.00 0.00 C ATOM 189 CG ARG A 10 6.127 25.077 -22.078 1.00 0.00 C ATOM 190 CD ARG A 10 7.172 25.232 -20.997 1.00 0.00 C ATOM 191 NE ARG A 10 7.775 26.568 -21.027 1.00 0.00 N ATOM 192 CZ ARG A 10 7.875 27.373 -19.963 1.00 0.00 C ATOM 193 NH1 ARG A 10 7.390 27.000 -18.788 1.00 0.00 N1+ ATOM 194 NH2 ARG A 10 8.455 28.559 -20.076 1.00 0.00 N ATOM 0 H ARG A 10 5.179 22.534 -19.571 1.00 0.00 H new ATOM 0 HA ARG A 10 3.657 24.226 -21.433 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.384 22.975 -21.872 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.332 23.448 -23.192 1.00 0.00 H new ATOM 0 HG2 ARG A 10 6.558 25.355 -23.040 1.00 0.00 H new ATOM 0 HG3 ARG A 10 5.304 25.766 -21.887 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.718 25.057 -20.022 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.948 24.477 -21.127 1.00 0.00 H new ATOM 0 HE ARG A 10 8.142 26.906 -21.917 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.936 26.092 -18.689 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.471 27.621 -17.983 1.00 0.00 H new ATOM 0 HH21 ARG A 10 8.827 28.861 -20.976 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.529 29.170 -19.263 1.00 0.00 H new ATOM 208 N GLY A 11 4.550 21.080 -21.855 1.00 0.00 N ATOM 209 CA GLY A 11 4.061 19.777 -22.258 1.00 0.00 C ATOM 210 C GLY A 11 4.899 19.221 -23.381 1.00 0.00 C ATOM 211 O GLY A 11 4.390 18.902 -24.455 1.00 0.00 O ATOM 0 H GLY A 11 5.563 21.139 -21.749 1.00 0.00 H new ATOM 0 HA2 GLY A 11 4.083 19.095 -21.408 1.00 0.00 H new ATOM 0 HA3 GLY A 11 3.022 19.855 -22.577 1.00 0.00 H new ATOM 215 N ASN A 12 6.195 19.115 -23.127 1.00 0.00 N ATOM 216 CA ASN A 12 7.153 18.760 -24.169 1.00 0.00 C ATOM 217 C ASN A 12 7.856 17.439 -23.882 1.00 0.00 C ATOM 218 O ASN A 12 7.580 16.431 -24.531 1.00 0.00 O ATOM 219 CB ASN A 12 8.186 19.879 -24.333 1.00 0.00 C ATOM 220 CG ASN A 12 8.547 20.534 -23.010 1.00 0.00 C ATOM 221 OD1 ASN A 12 9.362 20.025 -22.245 1.00 0.00 O ATOM 222 ND2 ASN A 12 7.962 21.688 -22.745 1.00 0.00 N ATOM 0 H ASN A 12 6.610 19.270 -22.208 1.00 0.00 H new ATOM 0 HA ASN A 12 6.594 18.635 -25.096 1.00 0.00 H new ATOM 0 HB2 ASN A 12 9.087 19.473 -24.792 1.00 0.00 H new ATOM 0 HB3 ASN A 12 7.794 20.634 -25.014 1.00 0.00 H new ATOM 0 HD21 ASN A 12 8.183 22.185 -21.882 1.00 0.00 H new ATOM 0 HD22 ASN A 12 7.290 22.082 -23.403 1.00 0.00 H new ATOM 229 N VAL A 13 8.773 17.455 -22.924 1.00 0.00 N ATOM 230 CA VAL A 13 9.573 16.290 -22.599 1.00 0.00 C ATOM 231 C VAL A 13 8.710 15.132 -22.108 1.00 0.00 C ATOM 232 O VAL A 13 7.911 15.284 -21.183 1.00 0.00 O ATOM 233 CB VAL A 13 10.629 16.648 -21.539 1.00 0.00 C ATOM 234 CG1 VAL A 13 11.400 15.419 -21.103 1.00 0.00 C ATOM 235 CG2 VAL A 13 11.574 17.709 -22.078 1.00 0.00 C ATOM 0 H VAL A 13 8.980 18.275 -22.354 1.00 0.00 H new ATOM 0 HA VAL A 13 10.073 15.968 -23.512 1.00 0.00 H new ATOM 0 HB VAL A 13 10.115 17.048 -20.665 1.00 0.00 H new ATOM 0 HG11 VAL A 13 12.140 15.700 -20.354 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.711 14.690 -20.677 1.00 0.00 H new ATOM 0 HG13 VAL A 13 11.905 14.981 -21.964 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.317 17.954 -21.319 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.076 17.331 -22.968 1.00 0.00 H new ATOM 0 HG23 VAL A 13 11.008 18.604 -22.334 1.00 0.00 H new ATOM 245 N ALA A 14 8.883 13.983 -22.747 1.00 0.00 N ATOM 246 CA ALA A 14 8.160 12.773 -22.392 1.00 0.00 C ATOM 247 C ALA A 14 9.155 11.673 -22.016 1.00 0.00 C ATOM 248 O ALA A 14 8.899 10.480 -22.194 1.00 0.00 O ATOM 249 CB ALA A 14 7.278 12.333 -23.549 1.00 0.00 C ATOM 0 H ALA A 14 9.530 13.865 -23.527 1.00 0.00 H new ATOM 0 HA ALA A 14 7.519 12.972 -21.533 1.00 0.00 H new ATOM 0 HB1 ALA A 14 6.741 11.426 -23.272 1.00 0.00 H new ATOM 0 HB2 ALA A 14 6.562 13.122 -23.781 1.00 0.00 H new ATOM 0 HB3 ALA A 14 7.897 12.136 -24.424 1.00 0.00 H new ATOM 255 N VAL A 15 10.307 12.103 -21.517 1.00 0.00 N ATOM 256 CA VAL A 15 11.388 11.210 -21.124 1.00 0.00 C ATOM 257 C VAL A 15 11.994 11.705 -19.813 1.00 0.00 C ATOM 258 O VAL A 15 12.066 12.909 -19.581 1.00 0.00 O ATOM 259 CB VAL A 15 12.485 11.142 -22.219 1.00 0.00 C ATOM 260 CG1 VAL A 15 13.663 10.288 -21.773 1.00 0.00 C ATOM 261 CG2 VAL A 15 11.913 10.603 -23.522 1.00 0.00 C ATOM 0 H VAL A 15 10.518 13.090 -21.373 1.00 0.00 H new ATOM 0 HA VAL A 15 10.982 10.207 -20.993 1.00 0.00 H new ATOM 0 HB VAL A 15 12.845 12.157 -22.385 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.413 10.262 -22.563 1.00 0.00 H new ATOM 0 HG12 VAL A 15 14.101 10.715 -20.871 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.320 9.275 -21.565 1.00 0.00 H new ATOM 0 HG21 VAL A 15 12.699 10.564 -24.276 1.00 0.00 H new ATOM 0 HG22 VAL A 15 11.517 9.601 -23.358 1.00 0.00 H new ATOM 0 HG23 VAL A 15 11.113 11.258 -23.866 1.00 0.00 H new ATOM 271 N THR A 16 12.412 10.777 -18.965 1.00 0.00 N ATOM 272 CA THR A 16 12.964 11.115 -17.657 1.00 0.00 C ATOM 273 C THR A 16 14.231 11.966 -17.783 1.00 0.00 C ATOM 274 O THR A 16 14.717 12.204 -18.889 1.00 0.00 O ATOM 275 CB THR A 16 13.290 9.834 -16.860 1.00 0.00 C ATOM 276 OG1 THR A 16 14.268 9.058 -17.572 1.00 0.00 O ATOM 277 CG2 THR A 16 12.038 8.998 -16.648 1.00 0.00 C ATOM 0 H THR A 16 12.380 9.776 -19.159 1.00 0.00 H new ATOM 0 HA THR A 16 12.208 11.694 -17.128 1.00 0.00 H new ATOM 0 HB THR A 16 13.685 10.124 -15.887 1.00 0.00 H new ATOM 0 HG1 THR A 16 13.870 8.707 -18.396 1.00 0.00 H new ATOM 0 HG21 THR A 16 12.291 8.100 -16.084 1.00 0.00 H new ATOM 0 HG22 THR A 16 11.302 9.580 -16.093 1.00 0.00 H new ATOM 0 HG23 THR A 16 11.622 8.714 -17.615 1.00 0.00 H new ATOM 285 N VAL A 17 14.770 12.421 -16.660 1.00 0.00 N ATOM 286 CA VAL A 17 16.037 13.140 -16.667 1.00 0.00 C ATOM 287 C VAL A 17 17.154 12.224 -17.181 1.00 0.00 C ATOM 288 O VAL A 17 18.141 12.684 -17.765 1.00 0.00 O ATOM 289 CB VAL A 17 16.375 13.703 -15.263 1.00 0.00 C ATOM 290 CG1 VAL A 17 16.428 12.602 -14.222 1.00 0.00 C ATOM 291 CG2 VAL A 17 17.678 14.484 -15.279 1.00 0.00 C ATOM 0 H VAL A 17 14.352 12.306 -15.737 1.00 0.00 H new ATOM 0 HA VAL A 17 15.947 13.992 -17.341 1.00 0.00 H new ATOM 0 HB VAL A 17 15.572 14.388 -14.990 1.00 0.00 H new ATOM 0 HG11 VAL A 17 16.667 13.032 -13.249 1.00 0.00 H new ATOM 0 HG12 VAL A 17 15.460 12.103 -14.170 1.00 0.00 H new ATOM 0 HG13 VAL A 17 17.195 11.878 -14.497 1.00 0.00 H new ATOM 0 HG21 VAL A 17 17.886 14.865 -14.279 1.00 0.00 H new ATOM 0 HG22 VAL A 17 18.491 13.829 -15.594 1.00 0.00 H new ATOM 0 HG23 VAL A 17 17.594 15.318 -15.975 1.00 0.00 H new ATOM 301 N SER A 18 16.971 10.927 -16.976 1.00 0.00 N ATOM 302 CA SER A 18 17.849 9.922 -17.545 1.00 0.00 C ATOM 303 C SER A 18 17.242 9.396 -18.851 1.00 0.00 C ATOM 304 O SER A 18 16.287 9.970 -19.369 1.00 0.00 O ATOM 305 CB SER A 18 18.032 8.787 -16.542 1.00 0.00 C ATOM 306 OG SER A 18 18.262 9.297 -15.243 1.00 0.00 O ATOM 0 H SER A 18 16.211 10.546 -16.412 1.00 0.00 H new ATOM 0 HA SER A 18 18.824 10.358 -17.764 1.00 0.00 H new ATOM 0 HB2 SER A 18 17.145 8.153 -16.537 1.00 0.00 H new ATOM 0 HB3 SER A 18 18.870 8.160 -16.845 1.00 0.00 H new ATOM 0 HG SER A 18 17.439 9.706 -14.902 1.00 0.00 H new ATOM 312 N GLY A 19 17.765 8.293 -19.368 1.00 0.00 N ATOM 313 CA GLY A 19 17.316 7.799 -20.659 1.00 0.00 C ATOM 314 C GLY A 19 16.133 6.850 -20.567 1.00 0.00 C ATOM 315 O GLY A 19 15.946 5.999 -21.437 1.00 0.00 O ATOM 0 H GLY A 19 18.490 7.732 -18.921 1.00 0.00 H new ATOM 0 HA2 GLY A 19 17.044 8.646 -21.289 1.00 0.00 H new ATOM 0 HA3 GLY A 19 18.144 7.289 -21.152 1.00 0.00 H new ATOM 319 N HIS A 20 15.331 6.990 -19.519 1.00 0.00 N ATOM 320 CA HIS A 20 14.170 6.128 -19.325 1.00 0.00 C ATOM 321 C HIS A 20 12.933 6.747 -19.972 1.00 0.00 C ATOM 322 O HIS A 20 12.665 7.934 -19.803 1.00 0.00 O ATOM 323 CB HIS A 20 13.909 5.894 -17.830 1.00 0.00 C ATOM 324 CG HIS A 20 15.060 5.278 -17.089 1.00 0.00 C ATOM 325 ND1 HIS A 20 15.997 6.016 -16.402 1.00 0.00 N ATOM 326 CD2 HIS A 20 15.420 3.985 -16.929 1.00 0.00 C ATOM 327 CE1 HIS A 20 16.888 5.203 -15.868 1.00 0.00 C ATOM 328 NE2 HIS A 20 16.561 3.964 -16.169 1.00 0.00 N ATOM 0 H HIS A 20 15.462 7.692 -18.790 1.00 0.00 H new ATOM 0 HA HIS A 20 14.379 5.169 -19.799 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.661 6.847 -17.363 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.037 5.249 -17.722 1.00 0.00 H new ATOM 0 HD2 HIS A 20 14.903 3.125 -17.327 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.743 5.504 -15.281 1.00 0.00 H new ATOM 0 HE2 HIS A 20 17.071 3.128 -15.884 1.00 0.00 H new ATOM 337 N THR A 21 12.187 5.941 -20.713 1.00 0.00 N ATOM 338 CA THR A 21 10.956 6.399 -21.344 1.00 0.00 C ATOM 339 C THR A 21 9.864 6.649 -20.306 1.00 0.00 C ATOM 340 O THR A 21 9.590 5.789 -19.466 1.00 0.00 O ATOM 341 CB THR A 21 10.457 5.362 -22.373 1.00 0.00 C ATOM 342 OG1 THR A 21 11.323 5.345 -23.517 1.00 0.00 O ATOM 343 CG2 THR A 21 9.025 5.642 -22.809 1.00 0.00 C ATOM 0 H THR A 21 12.413 4.963 -20.893 1.00 0.00 H new ATOM 0 HA THR A 21 11.177 7.337 -21.853 1.00 0.00 H new ATOM 0 HB THR A 21 10.473 4.385 -21.890 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.999 4.683 -24.163 1.00 0.00 H new ATOM 0 HG21 THR A 21 8.712 4.890 -23.533 1.00 0.00 H new ATOM 0 HG22 THR A 21 8.367 5.606 -21.941 1.00 0.00 H new ATOM 0 HG23 THR A 21 8.970 6.630 -23.265 1.00 0.00 H new ATOM 351 N CYS A 22 9.278 7.841 -20.336 1.00 0.00 N ATOM 352 CA CYS A 22 8.138 8.140 -19.490 1.00 0.00 C ATOM 353 C CYS A 22 6.924 7.319 -19.903 1.00 0.00 C ATOM 354 O CYS A 22 6.438 7.416 -21.030 1.00 0.00 O ATOM 355 CB CYS A 22 7.791 9.626 -19.524 1.00 0.00 C ATOM 356 SG CYS A 22 8.938 10.690 -18.594 1.00 0.00 S ATOM 0 H CYS A 22 9.575 8.610 -20.936 1.00 0.00 H new ATOM 0 HA CYS A 22 8.416 7.874 -18.470 1.00 0.00 H new ATOM 0 HB2 CYS A 22 7.769 9.957 -20.562 1.00 0.00 H new ATOM 0 HB3 CYS A 22 6.786 9.761 -19.125 1.00 0.00 H new ATOM 361 N GLN A 23 6.479 6.481 -18.995 1.00 0.00 N ATOM 362 CA GLN A 23 5.229 5.761 -19.126 1.00 0.00 C ATOM 363 C GLN A 23 4.047 6.732 -19.055 1.00 0.00 C ATOM 364 O GLN A 23 4.081 7.712 -18.308 1.00 0.00 O ATOM 365 CB GLN A 23 5.152 4.743 -17.998 1.00 0.00 C ATOM 366 CG GLN A 23 3.822 4.051 -17.859 1.00 0.00 C ATOM 367 CD GLN A 23 3.505 3.813 -16.419 1.00 0.00 C ATOM 368 OE1 GLN A 23 3.949 2.846 -15.816 1.00 0.00 O ATOM 369 NE2 GLN A 23 2.706 4.689 -15.864 1.00 0.00 N ATOM 0 H GLN A 23 6.981 6.276 -18.131 1.00 0.00 H new ATOM 0 HA GLN A 23 5.185 5.254 -20.090 1.00 0.00 H new ATOM 0 HB2 GLN A 23 5.923 3.989 -18.155 1.00 0.00 H new ATOM 0 HB3 GLN A 23 5.384 5.245 -17.059 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.040 4.659 -18.314 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.841 3.102 -18.395 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.361 5.480 -16.407 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.429 4.580 -14.888 1.00 0.00 H new ATOM 378 N HIS A 24 3.005 6.445 -19.830 1.00 0.00 N ATOM 379 CA HIS A 24 1.838 7.319 -19.928 1.00 0.00 C ATOM 380 C HIS A 24 1.075 7.397 -18.614 1.00 0.00 C ATOM 381 O HIS A 24 0.978 6.420 -17.869 1.00 0.00 O ATOM 382 CB HIS A 24 0.893 6.832 -21.027 1.00 0.00 C ATOM 383 CG HIS A 24 1.482 6.898 -22.398 1.00 0.00 C ATOM 384 ND1 HIS A 24 2.278 5.906 -22.914 1.00 0.00 N ATOM 385 CD2 HIS A 24 1.403 7.850 -23.354 1.00 0.00 C ATOM 386 CE1 HIS A 24 2.666 6.243 -24.129 1.00 0.00 C ATOM 387 NE2 HIS A 24 2.149 7.421 -24.422 1.00 0.00 N ATOM 0 H HIS A 24 2.945 5.605 -20.405 1.00 0.00 H new ATOM 0 HA HIS A 24 2.207 8.315 -20.172 1.00 0.00 H new ATOM 0 HB2 HIS A 24 0.603 5.803 -20.815 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -0.017 7.431 -21.003 1.00 0.00 H new ATOM 0 HD2 HIS A 24 0.854 8.778 -23.289 1.00 0.00 H new ATOM 0 HE1 HIS A 24 3.300 5.654 -24.775 1.00 0.00 H new ATOM 0 HE2 HIS A 24 2.282 7.928 -25.297 1.00 0.00 H new ATOM 396 N TRP A 25 0.551 8.584 -18.334 1.00 0.00 N ATOM 397 CA TRP A 25 -0.281 8.811 -17.160 1.00 0.00 C ATOM 398 C TRP A 25 -1.605 8.076 -17.286 1.00 0.00 C ATOM 399 O TRP A 25 -2.199 7.670 -16.290 1.00 0.00 O ATOM 400 CB TRP A 25 -0.547 10.300 -16.964 1.00 0.00 C ATOM 401 CG TRP A 25 0.694 11.128 -16.881 1.00 0.00 C ATOM 402 CD1 TRP A 25 1.182 11.961 -17.844 1.00 0.00 C ATOM 403 CD2 TRP A 25 1.599 11.211 -15.776 1.00 0.00 C ATOM 404 NE1 TRP A 25 2.334 12.556 -17.405 1.00 0.00 N ATOM 405 CE2 TRP A 25 2.614 12.111 -16.141 1.00 0.00 C ATOM 406 CE3 TRP A 25 1.652 10.613 -14.514 1.00 0.00 C ATOM 407 CZ2 TRP A 25 3.668 12.429 -15.291 1.00 0.00 C ATOM 408 CZ3 TRP A 25 2.700 10.928 -13.672 1.00 0.00 C ATOM 409 CH2 TRP A 25 3.696 11.827 -14.064 1.00 0.00 C ATOM 0 H TRP A 25 0.690 9.413 -18.912 1.00 0.00 H new ATOM 0 HA TRP A 25 0.259 8.428 -16.294 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -1.160 10.662 -17.790 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -1.127 10.439 -16.052 1.00 0.00 H new ATOM 0 HD1 TRP A 25 0.727 12.127 -18.809 1.00 0.00 H new ATOM 0 HE1 TRP A 25 2.894 13.224 -17.935 1.00 0.00 H new ATOM 0 HE3 TRP A 25 0.887 9.917 -14.203 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 4.437 13.126 -15.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 2.751 10.472 -12.694 1.00 0.00 H new ATOM 0 HH2 TRP A 25 4.504 12.051 -13.383 1.00 0.00 H new ATOM 420 N SER A 26 -2.071 7.931 -18.514 1.00 0.00 N ATOM 421 CA SER A 26 -3.339 7.274 -18.782 1.00 0.00 C ATOM 422 C SER A 26 -3.184 5.757 -18.732 1.00 0.00 C ATOM 423 O SER A 26 -4.167 5.019 -18.650 1.00 0.00 O ATOM 424 CB SER A 26 -3.851 7.710 -20.155 1.00 0.00 C ATOM 425 OG SER A 26 -2.857 7.509 -21.147 1.00 0.00 O ATOM 0 H SER A 26 -1.586 8.262 -19.348 1.00 0.00 H new ATOM 0 HA SER A 26 -4.058 7.563 -18.016 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.747 7.145 -20.411 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.135 8.762 -20.126 1.00 0.00 H new ATOM 0 HG SER A 26 -3.203 7.792 -22.019 1.00 0.00 H new ATOM 431 N ALA A 27 -1.939 5.307 -18.765 1.00 0.00 N ATOM 432 CA ALA A 27 -1.637 3.891 -18.760 1.00 0.00 C ATOM 433 C ALA A 27 -1.149 3.470 -17.387 1.00 0.00 C ATOM 434 O ALA A 27 -0.253 4.090 -16.814 1.00 0.00 O ATOM 435 CB ALA A 27 -0.598 3.567 -19.823 1.00 0.00 C ATOM 0 H ALA A 27 -1.118 5.911 -18.796 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.545 3.335 -18.992 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.382 2.499 -19.807 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.983 3.844 -20.804 1.00 0.00 H new ATOM 0 HB3 ALA A 27 0.316 4.125 -19.621 1.00 0.00 H new ATOM 441 N GLN A 28 -1.758 2.434 -16.849 1.00 0.00 N ATOM 442 CA GLN A 28 -1.376 1.908 -15.547 1.00 0.00 C ATOM 443 C GLN A 28 -0.330 0.811 -15.696 1.00 0.00 C ATOM 444 O GLN A 28 0.036 0.144 -14.730 1.00 0.00 O ATOM 445 CB GLN A 28 -2.604 1.370 -14.809 1.00 0.00 C ATOM 446 CG GLN A 28 -3.513 2.442 -14.216 1.00 0.00 C ATOM 447 CD GLN A 28 -2.992 2.962 -12.902 1.00 0.00 C ATOM 448 OE1 GLN A 28 -3.277 2.414 -11.838 1.00 0.00 O ATOM 449 NE2 GLN A 28 -2.224 4.029 -12.966 1.00 0.00 N ATOM 0 H GLN A 28 -2.527 1.933 -17.295 1.00 0.00 H new ATOM 0 HA GLN A 28 -0.943 2.721 -14.963 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -3.187 0.760 -15.499 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -2.269 0.712 -14.007 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -3.607 3.268 -14.921 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -4.512 2.031 -14.072 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -2.013 4.452 -13.870 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -1.840 4.433 -12.112 1.00 0.00 H new ATOM 458 N THR A 29 0.124 0.625 -16.917 1.00 0.00 N ATOM 459 CA THR A 29 1.199 -0.304 -17.221 1.00 0.00 C ATOM 460 C THR A 29 2.344 0.477 -17.871 1.00 0.00 C ATOM 461 O THR A 29 2.085 1.394 -18.654 1.00 0.00 O ATOM 462 CB THR A 29 0.706 -1.410 -18.184 1.00 0.00 C ATOM 463 OG1 THR A 29 -0.495 -2.005 -17.670 1.00 0.00 O ATOM 464 CG2 THR A 29 1.755 -2.493 -18.382 1.00 0.00 C ATOM 0 H THR A 29 -0.242 1.115 -17.733 1.00 0.00 H new ATOM 0 HA THR A 29 1.540 -0.781 -16.302 1.00 0.00 H new ATOM 0 HB THR A 29 0.511 -0.943 -19.149 1.00 0.00 H new ATOM 0 HG1 THR A 29 -0.803 -2.703 -18.285 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.371 -3.251 -19.065 1.00 0.00 H new ATOM 0 HG22 THR A 29 2.659 -2.052 -18.802 1.00 0.00 H new ATOM 0 HG23 THR A 29 1.988 -2.954 -17.422 1.00 0.00 H new ATOM 472 N PRO A 30 3.620 0.159 -17.579 1.00 0.00 N ATOM 473 CA PRO A 30 4.026 -0.926 -16.663 1.00 0.00 C ATOM 474 C PRO A 30 3.665 -0.696 -15.186 1.00 0.00 C ATOM 475 O PRO A 30 3.133 -1.592 -14.531 1.00 0.00 O ATOM 476 CB PRO A 30 5.552 -0.976 -16.826 1.00 0.00 C ATOM 477 CG PRO A 30 5.940 0.360 -17.368 1.00 0.00 C ATOM 478 CD PRO A 30 4.780 0.828 -18.188 1.00 0.00 C ATOM 0 HA PRO A 30 3.502 -1.848 -16.916 1.00 0.00 H new ATOM 0 HB2 PRO A 30 6.042 -1.170 -15.872 1.00 0.00 H new ATOM 0 HB3 PRO A 30 5.848 -1.776 -17.505 1.00 0.00 H new ATOM 0 HG2 PRO A 30 6.155 1.061 -16.561 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.842 0.287 -17.975 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.679 1.913 -18.153 1.00 0.00 H new ATOM 0 HD3 PRO A 30 4.895 0.552 -19.236 1.00 0.00 H new ATOM 486 N HIS A 31 3.942 0.494 -14.667 1.00 0.00 N ATOM 487 CA HIS A 31 3.809 0.756 -13.231 1.00 0.00 C ATOM 488 C HIS A 31 2.395 1.200 -12.857 1.00 0.00 C ATOM 489 O HIS A 31 1.862 2.155 -13.428 1.00 0.00 O ATOM 490 CB HIS A 31 4.823 1.816 -12.778 1.00 0.00 C ATOM 491 CG HIS A 31 6.235 1.319 -12.719 1.00 0.00 C ATOM 492 ND1 HIS A 31 7.194 1.646 -13.659 1.00 0.00 N ATOM 493 CD2 HIS A 31 6.861 0.533 -11.808 1.00 0.00 C ATOM 494 CE1 HIS A 31 8.342 1.084 -13.326 1.00 0.00 C ATOM 495 NE2 HIS A 31 8.165 0.407 -12.211 1.00 0.00 N ATOM 0 H HIS A 31 4.260 1.294 -15.214 1.00 0.00 H new ATOM 0 HA HIS A 31 4.012 -0.183 -12.716 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.775 2.665 -13.460 1.00 0.00 H new ATOM 0 HB3 HIS A 31 4.535 2.182 -11.792 1.00 0.00 H new ATOM 0 HD1 HIS A 31 7.039 2.230 -14.481 1.00 0.00 H new ATOM 0 HD2 HIS A 31 6.416 0.090 -10.930 1.00 0.00 H new ATOM 0 HE1 HIS A 31 9.268 1.166 -13.875 1.00 0.00 H new ATOM 504 N THR A 32 1.811 0.525 -11.868 1.00 0.00 N ATOM 505 CA THR A 32 0.468 0.844 -11.396 1.00 0.00 C ATOM 506 C THR A 32 0.506 2.050 -10.459 1.00 0.00 C ATOM 507 O THR A 32 0.647 1.921 -9.241 1.00 0.00 O ATOM 508 CB THR A 32 -0.179 -0.359 -10.679 1.00 0.00 C ATOM 509 OG1 THR A 32 0.704 -0.858 -9.663 1.00 0.00 O ATOM 510 CG2 THR A 32 -0.505 -1.469 -11.670 1.00 0.00 C ATOM 0 H THR A 32 2.253 -0.252 -11.376 1.00 0.00 H new ATOM 0 HA THR A 32 -0.140 1.086 -12.268 1.00 0.00 H new ATOM 0 HB THR A 32 -1.108 -0.023 -10.218 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.034 -0.111 -9.121 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.960 -2.307 -11.141 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.200 -1.093 -12.421 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.411 -1.802 -12.157 1.00 0.00 H new ATOM 518 N HIS A 33 0.429 3.225 -11.060 1.00 0.00 N ATOM 519 CA HIS A 33 0.543 4.488 -10.334 1.00 0.00 C ATOM 520 C HIS A 33 -0.815 5.042 -9.944 1.00 0.00 C ATOM 521 O HIS A 33 -1.843 4.576 -10.407 1.00 0.00 O ATOM 522 CB HIS A 33 1.299 5.514 -11.182 1.00 0.00 C ATOM 523 CG HIS A 33 0.717 5.698 -12.553 1.00 0.00 C ATOM 524 ND1 HIS A 33 0.014 6.816 -12.942 1.00 0.00 N ATOM 525 CD2 HIS A 33 0.737 4.882 -13.630 1.00 0.00 C ATOM 526 CE1 HIS A 33 -0.373 6.673 -14.195 1.00 0.00 C ATOM 527 NE2 HIS A 33 0.055 5.513 -14.632 1.00 0.00 N ATOM 0 H HIS A 33 0.286 3.335 -12.064 1.00 0.00 H new ATOM 0 HA HIS A 33 1.097 4.290 -9.416 1.00 0.00 H new ATOM 0 HB2 HIS A 33 1.300 6.473 -10.664 1.00 0.00 H new ATOM 0 HB3 HIS A 33 2.339 5.202 -11.276 1.00 0.00 H new ATOM 0 HD2 HIS A 33 1.205 3.911 -13.688 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.946 7.390 -14.765 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -0.097 5.141 -15.570 1.00 0.00 H new ATOM 536 N ASN A 34 -0.795 6.073 -9.121 1.00 0.00 N ATOM 537 CA ASN A 34 -2.017 6.680 -8.620 1.00 0.00 C ATOM 538 C ASN A 34 -2.156 8.091 -9.166 1.00 0.00 C ATOM 539 O ASN A 34 -3.142 8.779 -8.918 1.00 0.00 O ATOM 540 CB ASN A 34 -1.995 6.690 -7.093 1.00 0.00 C ATOM 541 CG ASN A 34 -1.148 5.555 -6.551 1.00 0.00 C ATOM 542 OD1 ASN A 34 0.027 5.743 -6.212 1.00 0.00 O ATOM 543 ND2 ASN A 34 -1.710 4.361 -6.516 1.00 0.00 N ATOM 0 H ASN A 34 0.061 6.512 -8.782 1.00 0.00 H new ATOM 0 HA ASN A 34 -2.876 6.098 -8.953 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.602 7.643 -6.738 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.012 6.603 -6.711 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.172 3.553 -6.201 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.682 4.246 -6.804 1.00 0.00 H new ATOM 550 N ARG A 36 -1.146 8.523 -9.909 1.00 0.00 N ATOM 551 CA ARG A 36 -1.200 9.814 -10.576 1.00 0.00 C ATOM 552 C ARG A 36 -1.684 9.633 -12.006 1.00 0.00 C ATOM 553 O ARG A 36 -0.890 9.399 -12.916 1.00 0.00 O ATOM 554 CB ARG A 36 0.168 10.520 -10.563 1.00 0.00 C ATOM 555 CG ARG A 36 0.627 11.018 -9.191 1.00 0.00 C ATOM 556 CD ARG A 36 1.067 9.878 -8.280 1.00 0.00 C ATOM 557 NE ARG A 36 1.384 10.340 -6.926 1.00 0.00 N ATOM 558 CZ ARG A 36 1.864 9.556 -5.954 1.00 0.00 C ATOM 559 NH1 ARG A 36 2.123 8.277 -6.177 1.00 0.00 N1+ ATOM 560 NH2 ARG A 36 2.099 10.059 -4.755 1.00 0.00 N ATOM 0 H ARG A 36 -0.284 8.000 -10.064 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.900 10.446 -10.030 1.00 0.00 H new ATOM 0 HB2 ARG A 36 0.918 9.832 -10.953 1.00 0.00 H new ATOM 0 HB3 ARG A 36 0.128 11.369 -11.246 1.00 0.00 H new ATOM 0 HG2 ARG A 36 1.453 11.718 -9.318 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -0.186 11.567 -8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 36 0.276 9.129 -8.230 1.00 0.00 H new ATOM 0 HD3 ARG A 36 1.942 9.390 -8.709 1.00 0.00 H new ATOM 0 HE ARG A 36 1.228 11.325 -6.710 1.00 0.00 H new ATOM 0 HH11 ARG A 36 1.957 7.876 -7.100 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.489 7.692 -5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 36 1.914 11.045 -4.570 1.00 0.00 H new ATOM 0 HH22 ARG A 36 2.465 9.461 -4.014 1.00 0.00 H new ATOM 574 N THR A 37 -2.989 9.713 -12.183 1.00 0.00 N ATOM 575 CA THR A 37 -3.615 9.554 -13.484 1.00 0.00 C ATOM 576 C THR A 37 -4.455 10.790 -13.779 1.00 0.00 C ATOM 577 O THR A 37 -4.844 11.502 -12.857 1.00 0.00 O ATOM 578 CB THR A 37 -4.508 8.291 -13.518 1.00 0.00 C ATOM 579 OG1 THR A 37 -5.425 8.314 -12.417 1.00 0.00 O ATOM 580 CG2 THR A 37 -3.662 7.024 -13.453 1.00 0.00 C ATOM 0 H THR A 37 -3.649 9.891 -11.426 1.00 0.00 H new ATOM 0 HA THR A 37 -2.839 9.438 -14.241 1.00 0.00 H new ATOM 0 HB THR A 37 -5.062 8.289 -14.456 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.989 7.513 -12.444 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.313 6.150 -13.478 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.983 6.996 -14.305 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.084 7.019 -12.529 1.00 0.00 H new ATOM 588 N PRO A 38 -4.708 11.091 -15.062 1.00 0.00 N ATOM 589 CA PRO A 38 -5.500 12.263 -15.460 1.00 0.00 C ATOM 590 C PRO A 38 -6.936 12.220 -14.935 1.00 0.00 C ATOM 591 O PRO A 38 -7.681 13.186 -15.070 1.00 0.00 O ATOM 592 CB PRO A 38 -5.484 12.232 -16.991 1.00 0.00 C ATOM 593 CG PRO A 38 -4.993 10.878 -17.377 1.00 0.00 C ATOM 594 CD PRO A 38 -4.206 10.341 -16.220 1.00 0.00 C ATOM 0 HA PRO A 38 -5.079 13.178 -15.043 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.480 12.414 -17.394 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.832 13.010 -17.389 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -5.829 10.219 -17.612 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.371 10.935 -18.271 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -4.360 9.269 -16.097 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -3.136 10.495 -16.361 1.00 0.00 H new ATOM 602 N GLU A 39 -7.309 11.092 -14.344 1.00 0.00 N ATOM 603 CA GLU A 39 -8.602 10.947 -13.689 1.00 0.00 C ATOM 604 C GLU A 39 -8.490 11.378 -12.229 1.00 0.00 C ATOM 605 O GLU A 39 -9.469 11.773 -11.594 1.00 0.00 O ATOM 606 CB GLU A 39 -9.059 9.494 -13.759 1.00 0.00 C ATOM 607 CG GLU A 39 -9.096 8.936 -15.166 1.00 0.00 C ATOM 608 CD GLU A 39 -9.534 7.491 -15.195 1.00 0.00 C ATOM 609 OE1 GLU A 39 -8.713 6.609 -14.878 1.00 0.00 O ATOM 610 OE2 GLU A 39 -10.708 7.230 -15.529 1.00 0.00 O1- ATOM 0 H GLU A 39 -6.727 10.256 -14.305 1.00 0.00 H new ATOM 0 HA GLU A 39 -9.332 11.577 -14.198 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.391 8.882 -13.152 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -10.053 9.413 -13.319 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -9.776 9.532 -15.774 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.107 9.023 -15.616 1.00 0.00 H new ATOM 617 N ASN A 40 -7.271 11.318 -11.720 1.00 0.00 N ATOM 618 CA ASN A 40 -6.987 11.649 -10.332 1.00 0.00 C ATOM 619 C ASN A 40 -6.470 13.065 -10.225 1.00 0.00 C ATOM 620 O ASN A 40 -6.697 13.759 -9.234 1.00 0.00 O ATOM 621 CB ASN A 40 -5.945 10.683 -9.760 1.00 0.00 C ATOM 622 CG ASN A 40 -6.560 9.451 -9.126 1.00 0.00 C ATOM 623 OD1 ASN A 40 -7.633 8.997 -9.526 1.00 0.00 O ATOM 624 ND2 ASN A 40 -5.876 8.887 -8.142 1.00 0.00 N ATOM 0 H ASN A 40 -6.450 11.039 -12.257 1.00 0.00 H new ATOM 0 HA ASN A 40 -7.912 11.561 -9.762 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -5.268 10.375 -10.557 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -5.344 11.206 -9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -6.235 8.047 -7.688 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -4.991 9.293 -7.838 1.00 0.00 H new ATOM 631 N PHE A 41 -5.783 13.493 -11.261 1.00 0.00 N ATOM 632 CA PHE A 41 -5.197 14.816 -11.300 1.00 0.00 C ATOM 633 C PHE A 41 -5.500 15.477 -12.638 1.00 0.00 C ATOM 634 O PHE A 41 -4.596 15.732 -13.434 1.00 0.00 O ATOM 635 CB PHE A 41 -3.685 14.727 -11.083 1.00 0.00 C ATOM 636 CG PHE A 41 -3.288 14.173 -9.742 1.00 0.00 C ATOM 637 CD1 PHE A 41 -3.107 12.811 -9.564 1.00 0.00 C ATOM 638 CD2 PHE A 41 -3.093 15.017 -8.663 1.00 0.00 C ATOM 639 CE1 PHE A 41 -2.737 12.303 -8.333 1.00 0.00 C ATOM 640 CE2 PHE A 41 -2.724 14.515 -7.430 1.00 0.00 C ATOM 641 CZ PHE A 41 -2.546 13.156 -7.266 1.00 0.00 C ATOM 0 H PHE A 41 -5.615 12.936 -12.099 1.00 0.00 H new ATOM 0 HA PHE A 41 -5.629 15.421 -10.502 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.253 14.102 -11.865 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.254 15.722 -11.195 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.257 12.139 -10.396 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -3.231 16.081 -8.786 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.598 11.240 -8.207 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -2.575 15.185 -6.596 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.257 12.761 -6.303 1.00 0.00 H new ATOM 651 N PRO A 42 -6.785 15.755 -12.912 1.00 0.00 N ATOM 652 CA PRO A 42 -7.203 16.351 -14.180 1.00 0.00 C ATOM 653 C PRO A 42 -6.631 17.753 -14.356 1.00 0.00 C ATOM 654 O PRO A 42 -6.194 18.126 -15.442 1.00 0.00 O ATOM 655 CB PRO A 42 -8.735 16.402 -14.083 1.00 0.00 C ATOM 656 CG PRO A 42 -9.090 15.475 -12.972 1.00 0.00 C ATOM 657 CD PRO A 42 -7.932 15.512 -12.020 1.00 0.00 C ATOM 0 HA PRO A 42 -6.849 15.778 -15.037 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -9.082 17.414 -13.877 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -9.199 16.090 -15.019 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -10.010 15.789 -12.480 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.257 14.464 -13.345 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -8.043 16.303 -11.279 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.828 14.575 -11.473 1.00 0.00 H new ATOM 665 N SER A 43 -6.596 18.506 -13.266 1.00 0.00 N ATOM 666 CA SER A 43 -6.104 19.876 -13.291 1.00 0.00 C ATOM 667 C SER A 43 -4.590 19.917 -13.082 1.00 0.00 C ATOM 668 O SER A 43 -4.043 20.913 -12.608 1.00 0.00 O ATOM 669 CB SER A 43 -6.819 20.697 -12.218 1.00 0.00 C ATOM 670 OG SER A 43 -8.225 20.611 -12.379 1.00 0.00 O ATOM 0 H SER A 43 -6.905 18.188 -12.347 1.00 0.00 H new ATOM 0 HA SER A 43 -6.315 20.307 -14.270 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.538 20.336 -11.229 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.503 21.739 -12.279 1.00 0.00 H new ATOM 0 HG SER A 43 -8.667 21.141 -11.683 1.00 0.00 H new ATOM 676 N LYS A 44 -3.926 18.821 -13.431 1.00 0.00 N ATOM 677 CA LYS A 44 -2.470 18.745 -13.374 1.00 0.00 C ATOM 678 C LYS A 44 -1.929 18.493 -14.769 1.00 0.00 C ATOM 679 O LYS A 44 -0.721 18.473 -15.000 1.00 0.00 O ATOM 680 CB LYS A 44 -2.000 17.639 -12.425 1.00 0.00 C ATOM 681 CG LYS A 44 -2.317 17.905 -10.963 1.00 0.00 C ATOM 682 CD LYS A 44 -1.557 19.110 -10.436 1.00 0.00 C ATOM 683 CE LYS A 44 -1.805 19.309 -8.952 1.00 0.00 C ATOM 684 NZ LYS A 44 -1.123 20.521 -8.431 1.00 0.00 N1+ ATOM 0 H LYS A 44 -4.377 17.967 -13.759 1.00 0.00 H new ATOM 0 HA LYS A 44 -2.091 19.692 -12.990 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -2.464 16.698 -12.722 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -0.923 17.512 -12.536 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -3.388 18.070 -10.847 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -2.064 17.026 -10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.490 18.977 -10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.862 20.003 -10.981 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -2.877 19.390 -8.771 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.455 18.433 -8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.130 20.504 -7.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.140 20.539 -8.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -1.620 21.370 -8.767 1.00 0.00 H new ATOM 698 N ASN A 45 -2.877 18.287 -15.685 1.00 0.00 N ATOM 699 CA ASN A 45 -2.609 18.144 -17.109 1.00 0.00 C ATOM 700 C ASN A 45 -1.747 16.927 -17.407 1.00 0.00 C ATOM 701 O ASN A 45 -0.693 17.032 -18.015 1.00 0.00 O ATOM 702 CB ASN A 45 -1.972 19.422 -17.670 1.00 0.00 C ATOM 703 CG ASN A 45 -2.836 20.650 -17.441 1.00 0.00 C ATOM 704 OD1 ASN A 45 -2.334 21.770 -17.369 1.00 0.00 O ATOM 705 ND2 ASN A 45 -4.142 20.454 -17.305 1.00 0.00 N ATOM 0 H ASN A 45 -3.867 18.214 -15.450 1.00 0.00 H new ATOM 0 HA ASN A 45 -3.565 17.987 -17.608 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.999 19.574 -17.204 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.797 19.298 -18.739 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.762 21.246 -17.135 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -4.526 19.511 -17.370 1.00 0.00 H new ATOM 712 N LEU A 46 -2.226 15.761 -17.007 1.00 0.00 N ATOM 713 CA LEU A 46 -1.515 14.512 -17.260 1.00 0.00 C ATOM 714 C LEU A 46 -1.709 14.068 -18.708 1.00 0.00 C ATOM 715 O LEU A 46 -2.381 13.076 -18.998 1.00 0.00 O ATOM 716 CB LEU A 46 -1.990 13.437 -16.274 1.00 0.00 C ATOM 717 CG LEU A 46 -1.111 13.248 -15.024 1.00 0.00 C ATOM 718 CD1 LEU A 46 -0.258 14.478 -14.743 1.00 0.00 C ATOM 719 CD2 LEU A 46 -1.964 12.919 -13.805 1.00 0.00 C ATOM 0 H LEU A 46 -3.106 15.650 -16.504 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.447 14.669 -17.107 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.001 13.686 -15.951 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.049 12.485 -16.802 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.443 12.411 -15.226 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.348 14.305 -13.853 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.395 14.671 -15.595 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.905 15.340 -14.580 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.321 12.790 -12.935 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.665 13.733 -13.621 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.518 11.998 -13.986 1.00 0.00 H new ATOM 731 N ASP A 47 -1.098 14.836 -19.603 1.00 0.00 N ATOM 732 CA ASP A 47 -1.164 14.601 -21.036 1.00 0.00 C ATOM 733 C ASP A 47 -0.173 13.525 -21.446 1.00 0.00 C ATOM 734 O ASP A 47 1.016 13.623 -21.128 1.00 0.00 O ATOM 735 CB ASP A 47 -0.824 15.889 -21.793 1.00 0.00 C ATOM 736 CG ASP A 47 -1.771 17.039 -21.515 1.00 0.00 C ATOM 737 OD1 ASP A 47 -2.901 17.035 -22.045 1.00 0.00 O1- ATOM 738 OD2 ASP A 47 -1.367 17.977 -20.792 1.00 0.00 O1- ATOM 0 H ASP A 47 -0.537 15.649 -19.348 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.176 14.277 -21.280 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.189 16.195 -21.531 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.827 15.680 -22.863 1.00 0.00 H new ATOM 743 N GLU A 48 -0.667 12.522 -22.163 1.00 0.00 N ATOM 744 CA GLU A 48 0.156 11.430 -22.674 1.00 0.00 C ATOM 745 C GLU A 48 1.067 10.842 -21.603 1.00 0.00 C ATOM 746 O GLU A 48 0.631 10.106 -20.717 1.00 0.00 O ATOM 747 CB GLU A 48 1.015 11.883 -23.866 1.00 0.00 C ATOM 748 CG GLU A 48 0.269 12.003 -25.185 1.00 0.00 C ATOM 749 CD GLU A 48 -0.747 13.125 -25.210 1.00 0.00 C ATOM 750 OE1 GLU A 48 -1.883 12.919 -24.738 1.00 0.00 O ATOM 751 OE2 GLU A 48 -0.417 14.210 -25.729 1.00 0.00 O1- ATOM 0 H GLU A 48 -1.654 12.442 -22.408 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.541 10.658 -23.000 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.460 12.849 -23.628 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.836 11.177 -23.993 1.00 0.00 H new ATOM 0 HG2 GLU A 48 0.990 12.160 -25.987 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.238 11.061 -25.392 1.00 0.00 H new ATOM 758 N ASN A 49 2.339 11.185 -21.710 1.00 0.00 N ATOM 759 CA ASN A 49 3.366 10.705 -20.805 1.00 0.00 C ATOM 760 C ASN A 49 4.355 11.819 -20.516 1.00 0.00 C ATOM 761 O ASN A 49 5.460 11.574 -20.041 1.00 0.00 O ATOM 762 CB ASN A 49 4.093 9.506 -21.417 1.00 0.00 C ATOM 763 CG ASN A 49 4.732 9.809 -22.765 1.00 0.00 C ATOM 764 OD1 ASN A 49 4.235 10.625 -23.544 1.00 0.00 O ATOM 765 ND2 ASN A 49 5.838 9.147 -23.055 1.00 0.00 N ATOM 0 H ASN A 49 2.690 11.811 -22.435 1.00 0.00 H new ATOM 0 HA ASN A 49 2.897 10.390 -19.873 1.00 0.00 H new ATOM 0 HB2 ASN A 49 4.865 9.167 -20.726 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.387 8.684 -21.535 1.00 0.00 H new ATOM 0 HD21 ASN A 49 6.308 9.304 -23.947 1.00 0.00 H new ATOM 0 HD22 ASN A 49 6.222 8.479 -22.387 1.00 0.00 H new ATOM 772 N TYR A 50 3.939 13.043 -20.816 1.00 0.00 N ATOM 773 CA TYR A 50 4.779 14.220 -20.606 1.00 0.00 C ATOM 774 C TYR A 50 5.209 14.315 -19.150 1.00 0.00 C ATOM 775 O TYR A 50 4.449 13.956 -18.252 1.00 0.00 O ATOM 776 CB TYR A 50 4.027 15.501 -20.958 1.00 0.00 C ATOM 777 CG TYR A 50 3.424 15.543 -22.345 1.00 0.00 C ATOM 778 CD1 TYR A 50 3.742 14.596 -23.314 1.00 0.00 C ATOM 779 CD2 TYR A 50 2.528 16.547 -22.679 1.00 0.00 C ATOM 780 CE1 TYR A 50 3.179 14.657 -24.578 1.00 0.00 C ATOM 781 CE2 TYR A 50 1.963 16.612 -23.933 1.00 0.00 C ATOM 782 CZ TYR A 50 2.289 15.667 -24.878 1.00 0.00 C ATOM 783 OH TYR A 50 1.730 15.742 -26.131 1.00 0.00 O ATOM 0 H TYR A 50 3.020 13.249 -21.208 1.00 0.00 H new ATOM 0 HA TYR A 50 5.650 14.113 -21.253 1.00 0.00 H new ATOM 0 HB2 TYR A 50 3.229 15.645 -20.230 1.00 0.00 H new ATOM 0 HB3 TYR A 50 4.711 16.343 -20.852 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.437 13.804 -23.077 1.00 0.00 H new ATOM 0 HD2 TYR A 50 2.268 17.292 -21.942 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.435 13.919 -25.324 1.00 0.00 H new ATOM 0 HE2 TYR A 50 1.267 17.402 -24.174 1.00 0.00 H new ATOM 0 HH TYR A 50 1.010 15.082 -26.208 1.00 0.00 H new ATOM 793 N CYS A 51 6.423 14.793 -18.925 1.00 0.00 N ATOM 794 CA CYS A 51 6.912 15.039 -17.577 1.00 0.00 C ATOM 795 C CYS A 51 6.086 16.114 -16.880 1.00 0.00 C ATOM 796 O CYS A 51 6.420 17.298 -16.924 1.00 0.00 O ATOM 797 CB CYS A 51 8.367 15.476 -17.615 1.00 0.00 C ATOM 798 SG CYS A 51 9.532 14.189 -18.141 1.00 0.00 S ATOM 0 H CYS A 51 7.091 15.019 -19.662 1.00 0.00 H new ATOM 0 HA CYS A 51 6.822 14.108 -17.018 1.00 0.00 H new ATOM 0 HB2 CYS A 51 8.459 16.328 -18.289 1.00 0.00 H new ATOM 0 HB3 CYS A 51 8.654 15.823 -16.622 1.00 0.00 H new ATOM 803 N ARG A 52 5.000 15.696 -16.259 1.00 0.00 N ATOM 804 CA ARG A 52 4.157 16.602 -15.504 1.00 0.00 C ATOM 805 C ARG A 52 4.529 16.559 -14.035 1.00 0.00 C ATOM 806 O ARG A 52 5.436 15.832 -13.634 1.00 0.00 O ATOM 807 CB ARG A 52 2.686 16.237 -15.684 1.00 0.00 C ATOM 808 CG ARG A 52 2.164 16.487 -17.090 1.00 0.00 C ATOM 809 CD ARG A 52 2.322 17.945 -17.502 1.00 0.00 C ATOM 810 NE ARG A 52 1.499 18.270 -18.669 1.00 0.00 N ATOM 811 CZ ARG A 52 1.583 19.397 -19.372 1.00 0.00 C ATOM 812 NH1 ARG A 52 2.493 20.313 -19.063 1.00 0.00 N1+ ATOM 813 NH2 ARG A 52 0.743 19.612 -20.379 1.00 0.00 N ATOM 0 H ARG A 52 4.679 14.728 -16.263 1.00 0.00 H new ATOM 0 HA ARG A 52 4.312 17.614 -15.878 1.00 0.00 H new ATOM 0 HB2 ARG A 52 2.549 15.184 -15.436 1.00 0.00 H new ATOM 0 HB3 ARG A 52 2.089 16.812 -14.976 1.00 0.00 H new ATOM 0 HG2 ARG A 52 2.699 15.850 -17.795 1.00 0.00 H new ATOM 0 HG3 ARG A 52 1.112 16.207 -17.142 1.00 0.00 H new ATOM 0 HD2 ARG A 52 2.044 18.591 -16.669 1.00 0.00 H new ATOM 0 HD3 ARG A 52 3.369 18.148 -17.727 1.00 0.00 H new ATOM 0 HE ARG A 52 0.809 17.580 -18.966 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.132 20.155 -18.284 1.00 0.00 H new ATOM 0 HH12 ARG A 52 2.553 21.175 -19.605 1.00 0.00 H new ATOM 0 HH21 ARG A 52 0.036 18.914 -20.611 1.00 0.00 H new ATOM 0 HH22 ARG A 52 0.805 20.475 -20.920 1.00 0.00 H new ATOM 827 N ASN A 53 3.829 17.335 -13.236 1.00 0.00 N ATOM 828 CA ASN A 53 4.024 17.310 -11.797 1.00 0.00 C ATOM 829 C ASN A 53 2.665 17.248 -11.099 1.00 0.00 C ATOM 830 O ASN A 53 2.223 18.215 -10.483 1.00 0.00 O ATOM 831 CB ASN A 53 4.810 18.545 -11.350 1.00 0.00 C ATOM 832 CG ASN A 53 5.254 18.474 -9.905 1.00 0.00 C ATOM 833 OD1 ASN A 53 4.811 17.616 -9.139 1.00 0.00 O ATOM 834 ND2 ASN A 53 6.128 19.393 -9.516 1.00 0.00 N ATOM 0 H ASN A 53 3.118 17.993 -13.556 1.00 0.00 H new ATOM 0 HA ASN A 53 4.599 16.425 -11.524 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.686 18.661 -11.988 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.193 19.432 -11.491 1.00 0.00 H new ATOM 0 HD21 ASN A 53 6.458 19.407 -8.551 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.470 20.086 -10.182 1.00 0.00 H new ATOM 841 N PRO A 54 1.971 16.104 -11.216 1.00 0.00 N ATOM 842 CA PRO A 54 0.642 15.924 -10.628 1.00 0.00 C ATOM 843 C PRO A 54 0.675 15.813 -9.107 1.00 0.00 C ATOM 844 O PRO A 54 -0.111 16.450 -8.410 1.00 0.00 O ATOM 845 CB PRO A 54 0.154 14.611 -11.243 1.00 0.00 C ATOM 846 CG PRO A 54 1.393 13.868 -11.607 1.00 0.00 C ATOM 847 CD PRO A 54 2.420 14.908 -11.954 1.00 0.00 C ATOM 0 HA PRO A 54 -0.003 16.778 -10.833 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.451 14.045 -10.535 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.468 14.793 -12.119 1.00 0.00 H new ATOM 0 HG2 PRO A 54 1.732 13.248 -10.778 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.213 13.202 -12.451 1.00 0.00 H new ATOM 0 HD2 PRO A 54 3.420 14.601 -11.648 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.457 15.091 -13.028 1.00 0.00 H new ATOM 855 N ASP A 55 1.587 14.994 -8.602 1.00 0.00 N ATOM 856 CA ASP A 55 1.676 14.729 -7.170 1.00 0.00 C ATOM 857 C ASP A 55 2.130 15.961 -6.385 1.00 0.00 C ATOM 858 O ASP A 55 1.614 16.244 -5.304 1.00 0.00 O ATOM 859 CB ASP A 55 2.628 13.564 -6.908 1.00 0.00 C ATOM 860 CG ASP A 55 2.692 13.196 -5.441 1.00 0.00 C ATOM 861 OD1 ASP A 55 1.704 12.632 -4.923 1.00 0.00 O1- ATOM 862 OD2 ASP A 55 3.729 13.460 -4.810 1.00 0.00 O1- ATOM 0 H ASP A 55 2.279 14.499 -9.164 1.00 0.00 H new ATOM 0 HA ASP A 55 0.676 14.468 -6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.306 12.697 -7.484 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.626 13.827 -7.259 1.00 0.00 H new ATOM 867 N GLY A 56 3.079 16.701 -6.944 1.00 0.00 N ATOM 868 CA GLY A 56 3.589 17.887 -6.280 1.00 0.00 C ATOM 869 C GLY A 56 5.014 17.715 -5.798 1.00 0.00 C ATOM 870 O GLY A 56 5.290 17.735 -4.601 1.00 0.00 O ATOM 0 H GLY A 56 3.506 16.501 -7.848 1.00 0.00 H new ATOM 0 HA2 GLY A 56 3.541 18.733 -6.966 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.949 18.128 -5.432 1.00 0.00 H new ATOM 874 N LYS A 57 5.917 17.536 -6.741 1.00 0.00 N ATOM 875 CA LYS A 57 7.331 17.437 -6.441 1.00 0.00 C ATOM 876 C LYS A 57 8.014 18.766 -6.728 1.00 0.00 C ATOM 877 O LYS A 57 7.355 19.727 -7.116 1.00 0.00 O ATOM 878 CB LYS A 57 7.965 16.306 -7.254 1.00 0.00 C ATOM 879 CG LYS A 57 7.497 14.930 -6.810 1.00 0.00 C ATOM 880 CD LYS A 57 8.139 14.531 -5.488 1.00 0.00 C ATOM 881 CE LYS A 57 7.361 13.440 -4.768 1.00 0.00 C ATOM 882 NZ LYS A 57 6.184 13.984 -4.041 1.00 0.00 N1+ ATOM 0 H LYS A 57 5.693 17.455 -7.733 1.00 0.00 H new ATOM 0 HA LYS A 57 7.460 17.206 -5.384 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.726 16.444 -8.308 1.00 0.00 H new ATOM 0 HB3 LYS A 57 9.050 16.363 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 57 6.412 14.928 -6.706 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.745 14.194 -7.575 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.157 14.186 -5.672 1.00 0.00 H new ATOM 0 HD3 LYS A 57 8.211 15.407 -4.844 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.028 12.695 -5.490 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.018 12.930 -4.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 6.081 13.492 -3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.320 15.001 -3.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 5.326 13.840 -4.611 1.00 0.00 H new ATOM 896 N ARG A 59 9.319 18.824 -6.540 1.00 0.00 N ATOM 897 CA ARG A 59 10.068 20.051 -6.777 1.00 0.00 C ATOM 898 C ARG A 59 10.213 20.318 -8.272 1.00 0.00 C ATOM 899 O ARG A 59 10.501 21.440 -8.687 1.00 0.00 O ATOM 900 CB ARG A 59 11.447 19.950 -6.126 1.00 0.00 C ATOM 901 CG ARG A 59 12.315 18.863 -6.734 1.00 0.00 C ATOM 902 CD ARG A 59 13.565 18.621 -5.912 1.00 0.00 C ATOM 903 NE ARG A 59 14.471 17.678 -6.566 1.00 0.00 N ATOM 904 CZ ARG A 59 15.324 16.893 -5.912 1.00 0.00 C ATOM 905 NH1 ARG A 59 15.353 16.900 -4.585 1.00 0.00 N1+ ATOM 906 NH2 ARG A 59 16.145 16.097 -6.586 1.00 0.00 N ATOM 0 H ARG A 59 9.886 18.037 -6.224 1.00 0.00 H new ATOM 0 HA ARG A 59 9.520 20.882 -6.333 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.957 20.909 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 59 11.326 19.756 -5.060 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.743 17.938 -6.807 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.595 19.146 -7.749 1.00 0.00 H new ATOM 0 HD2 ARG A 59 14.081 19.567 -5.748 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.286 18.236 -4.931 1.00 0.00 H new ATOM 0 HE ARG A 59 14.448 17.618 -7.584 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.721 17.508 -4.064 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.008 16.298 -4.086 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.122 16.087 -7.606 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.798 15.496 -6.084 1.00 0.00 H new ATOM 920 N ALA A 60 9.996 19.288 -9.076 1.00 0.00 N ATOM 921 CA ALA A 60 10.189 19.384 -10.515 1.00 0.00 C ATOM 922 C ALA A 60 9.354 18.333 -11.238 1.00 0.00 C ATOM 923 O ALA A 60 8.867 17.391 -10.607 1.00 0.00 O ATOM 924 CB ALA A 60 11.665 19.219 -10.854 1.00 0.00 C ATOM 0 H ALA A 60 9.685 18.372 -8.754 1.00 0.00 H new ATOM 0 HA ALA A 60 9.860 20.368 -10.848 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.801 19.292 -11.933 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.241 20.002 -10.362 1.00 0.00 H new ATOM 0 HB3 ALA A 60 12.011 18.244 -10.510 1.00 0.00 H new ATOM 930 N PRO A 61 9.162 18.501 -12.562 1.00 0.00 N ATOM 931 CA PRO A 61 8.472 17.522 -13.409 1.00 0.00 C ATOM 932 C PRO A 61 9.016 16.117 -13.220 1.00 0.00 C ATOM 933 O PRO A 61 10.231 15.918 -13.117 1.00 0.00 O ATOM 934 CB PRO A 61 8.774 18.015 -14.823 1.00 0.00 C ATOM 935 CG PRO A 61 8.917 19.479 -14.667 1.00 0.00 C ATOM 936 CD PRO A 61 9.587 19.677 -13.339 1.00 0.00 C ATOM 0 HA PRO A 61 7.409 17.455 -13.177 1.00 0.00 H new ATOM 0 HB2 PRO A 61 9.685 17.564 -15.217 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.969 17.764 -15.514 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.513 19.903 -15.475 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.946 19.973 -14.694 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.671 19.722 -13.439 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.272 20.607 -12.865 1.00 0.00 H new ATOM 944 N TRP A 62 8.120 15.151 -13.177 1.00 0.00 N ATOM 945 CA TRP A 62 8.508 13.775 -12.972 1.00 0.00 C ATOM 946 C TRP A 62 7.557 12.844 -13.707 1.00 0.00 C ATOM 947 O TRP A 62 6.480 13.259 -14.132 1.00 0.00 O ATOM 948 CB TRP A 62 8.539 13.453 -11.474 1.00 0.00 C ATOM 949 CG TRP A 62 7.199 13.498 -10.796 1.00 0.00 C ATOM 950 CD1 TRP A 62 6.601 14.576 -10.201 1.00 0.00 C ATOM 951 CD2 TRP A 62 6.301 12.400 -10.627 1.00 0.00 C ATOM 952 NE1 TRP A 62 5.385 14.207 -9.672 1.00 0.00 N ATOM 953 CE2 TRP A 62 5.180 12.874 -9.920 1.00 0.00 C ATOM 954 CE3 TRP A 62 6.340 11.059 -11.011 1.00 0.00 C ATOM 955 CZ2 TRP A 62 4.112 12.042 -9.584 1.00 0.00 C ATOM 956 CZ3 TRP A 62 5.284 10.245 -10.676 1.00 0.00 C ATOM 957 CH2 TRP A 62 4.184 10.739 -9.968 1.00 0.00 C ATOM 0 H TRP A 62 7.116 15.297 -13.282 1.00 0.00 H new ATOM 0 HA TRP A 62 9.510 13.626 -13.375 1.00 0.00 H new ATOM 0 HB2 TRP A 62 8.967 12.460 -11.338 1.00 0.00 H new ATOM 0 HB3 TRP A 62 9.206 14.158 -10.978 1.00 0.00 H new ATOM 0 HD1 TRP A 62 7.021 15.570 -10.154 1.00 0.00 H new ATOM 0 HE1 TRP A 62 4.742 14.824 -9.177 1.00 0.00 H new ATOM 0 HE3 TRP A 62 7.183 10.668 -11.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 3.259 12.419 -9.039 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 5.304 9.205 -10.965 1.00 0.00 H new ATOM 0 HH2 TRP A 62 3.373 10.071 -9.720 1.00 0.00 H new ATOM 968 N CYS A 63 7.954 11.594 -13.862 1.00 0.00 N ATOM 969 CA CYS A 63 7.108 10.620 -14.528 1.00 0.00 C ATOM 970 C CYS A 63 7.468 9.210 -14.078 1.00 0.00 C ATOM 971 O CYS A 63 8.383 9.020 -13.286 1.00 0.00 O ATOM 972 CB CYS A 63 7.263 10.743 -16.049 1.00 0.00 C ATOM 973 SG CYS A 63 8.802 10.003 -16.689 1.00 0.00 S ATOM 0 H CYS A 63 8.851 11.231 -13.538 1.00 0.00 H new ATOM 0 HA CYS A 63 6.070 10.817 -14.260 1.00 0.00 H new ATOM 0 HB2 CYS A 63 6.411 10.264 -16.532 1.00 0.00 H new ATOM 0 HB3 CYS A 63 7.235 11.797 -16.325 1.00 0.00 H new ATOM 978 N HIS A 64 6.732 8.223 -14.576 1.00 0.00 N ATOM 979 CA HIS A 64 7.012 6.824 -14.270 1.00 0.00 C ATOM 980 C HIS A 64 7.732 6.216 -15.453 1.00 0.00 C ATOM 981 O HIS A 64 7.344 6.456 -16.584 1.00 0.00 O ATOM 982 CB HIS A 64 5.711 6.051 -13.984 1.00 0.00 C ATOM 983 CG HIS A 64 4.916 6.644 -12.869 1.00 0.00 C ATOM 984 ND1 HIS A 64 3.928 7.584 -13.069 1.00 0.00 N ATOM 985 CD2 HIS A 64 4.983 6.447 -11.532 1.00 0.00 C ATOM 986 CE1 HIS A 64 3.424 7.941 -11.904 1.00 0.00 C ATOM 987 NE2 HIS A 64 4.047 7.267 -10.952 1.00 0.00 N ATOM 0 H HIS A 64 5.934 8.366 -15.195 1.00 0.00 H new ATOM 0 HA HIS A 64 7.633 6.763 -13.376 1.00 0.00 H new ATOM 0 HB2 HIS A 64 5.101 6.030 -14.887 1.00 0.00 H new ATOM 0 HB3 HIS A 64 5.955 5.017 -13.740 1.00 0.00 H new ATOM 0 HD2 HIS A 64 5.649 5.771 -11.017 1.00 0.00 H new ATOM 0 HE1 HIS A 64 2.635 8.663 -11.753 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.863 7.344 -9.952 1.00 0.00 H new ATOM 996 N THR A 65 8.780 5.458 -15.209 1.00 0.00 N ATOM 997 CA THR A 65 9.562 4.914 -16.304 1.00 0.00 C ATOM 998 C THR A 65 8.945 3.617 -16.810 1.00 0.00 C ATOM 999 O THR A 65 8.310 2.878 -16.053 1.00 0.00 O ATOM 1000 CB THR A 65 11.027 4.655 -15.891 1.00 0.00 C ATOM 1001 OG1 THR A 65 11.137 3.406 -15.204 1.00 0.00 O ATOM 1002 CG2 THR A 65 11.546 5.774 -14.997 1.00 0.00 C ATOM 0 H THR A 65 9.109 5.206 -14.277 1.00 0.00 H new ATOM 0 HA THR A 65 9.556 5.658 -17.100 1.00 0.00 H new ATOM 0 HB THR A 65 11.630 4.622 -16.799 1.00 0.00 H new ATOM 0 HG1 THR A 65 10.838 3.515 -14.277 1.00 0.00 H new ATOM 0 HG21 THR A 65 12.580 5.568 -14.720 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.496 6.721 -15.534 1.00 0.00 H new ATOM 0 HG23 THR A 65 10.934 5.834 -14.097 1.00 0.00 H new ATOM 1010 N THR A 66 9.106 3.368 -18.104 1.00 0.00 N ATOM 1011 CA THR A 66 8.695 2.108 -18.701 1.00 0.00 C ATOM 1012 C THR A 66 9.710 0.999 -18.427 1.00 0.00 C ATOM 1013 O THR A 66 9.707 -0.036 -19.092 1.00 0.00 O ATOM 1014 CB THR A 66 8.511 2.256 -20.219 1.00 0.00 C ATOM 1015 OG1 THR A 66 9.665 2.885 -20.789 1.00 0.00 O ATOM 1016 CG2 THR A 66 7.274 3.077 -20.529 1.00 0.00 C ATOM 0 H THR A 66 9.521 4.028 -18.762 1.00 0.00 H new ATOM 0 HA THR A 66 7.744 1.835 -18.243 1.00 0.00 H new ATOM 0 HB THR A 66 8.388 1.263 -20.652 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.799 2.557 -21.703 1.00 0.00 H new ATOM 0 HG21 THR A 66 7.161 3.171 -21.609 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.396 2.583 -20.114 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.375 4.068 -20.087 1.00 0.00 H new ATOM 1024 N ASN A 67 10.579 1.227 -17.452 1.00 0.00 N ATOM 1025 CA ASN A 67 11.584 0.240 -17.076 1.00 0.00 C ATOM 1026 C ASN A 67 11.107 -0.582 -15.900 1.00 0.00 C ATOM 1027 O ASN A 67 10.426 -0.081 -15.013 1.00 0.00 O ATOM 1028 CB ASN A 67 12.907 0.916 -16.710 1.00 0.00 C ATOM 1029 CG ASN A 67 13.767 1.217 -17.916 1.00 0.00 C ATOM 1030 OD1 ASN A 67 14.694 0.472 -18.228 1.00 0.00 O ATOM 1031 ND2 ASN A 67 13.465 2.306 -18.605 1.00 0.00 N ATOM 0 H ASN A 67 10.609 2.088 -16.906 1.00 0.00 H new ATOM 0 HA ASN A 67 11.743 -0.411 -17.936 1.00 0.00 H new ATOM 0 HB2 ASN A 67 12.700 1.844 -16.177 1.00 0.00 H new ATOM 0 HB3 ASN A 67 13.461 0.273 -16.026 1.00 0.00 H new ATOM 0 HD21 ASN A 67 14.010 2.555 -19.430 1.00 0.00 H new ATOM 0 HD22 ASN A 67 12.687 2.896 -18.311 1.00 0.00 H new ATOM 1038 N SER A 68 11.480 -1.846 -15.897 1.00 0.00 N ATOM 1039 CA SER A 68 11.158 -2.742 -14.806 1.00 0.00 C ATOM 1040 C SER A 68 12.121 -2.539 -13.638 1.00 0.00 C ATOM 1041 O SER A 68 11.998 -3.181 -12.593 1.00 0.00 O ATOM 1042 CB SER A 68 11.227 -4.181 -15.310 1.00 0.00 C ATOM 1043 OG SER A 68 12.347 -4.358 -16.167 1.00 0.00 O ATOM 0 H SER A 68 12.014 -2.280 -16.650 1.00 0.00 H new ATOM 0 HA SER A 68 10.151 -2.528 -14.448 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.298 -4.865 -14.464 1.00 0.00 H new ATOM 0 HB3 SER A 68 10.310 -4.429 -15.845 1.00 0.00 H new ATOM 0 HG SER A 68 12.376 -5.286 -16.479 1.00 0.00 H new ATOM 1049 N GLN A 69 13.078 -1.640 -13.831 1.00 0.00 N ATOM 1050 CA GLN A 69 14.116 -1.392 -12.847 1.00 0.00 C ATOM 1051 C GLN A 69 13.692 -0.281 -11.893 1.00 0.00 C ATOM 1052 O GLN A 69 13.421 -0.514 -10.716 1.00 0.00 O ATOM 1053 CB GLN A 69 15.412 -0.989 -13.554 1.00 0.00 C ATOM 1054 CG GLN A 69 15.691 -1.785 -14.818 1.00 0.00 C ATOM 1055 CD GLN A 69 17.078 -1.527 -15.373 1.00 0.00 C ATOM 1056 OE1 GLN A 69 18.039 -2.201 -15.005 1.00 0.00 O ATOM 1057 NE2 GLN A 69 17.193 -0.560 -16.267 1.00 0.00 N ATOM 0 H GLN A 69 13.154 -1.066 -14.671 1.00 0.00 H new ATOM 0 HA GLN A 69 14.279 -2.306 -12.275 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.364 0.070 -13.806 1.00 0.00 H new ATOM 0 HB3 GLN A 69 16.246 -1.115 -12.864 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.580 -2.848 -14.606 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.948 -1.532 -15.574 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.372 -0.023 -16.546 1.00 0.00 H new ATOM 0 HE22 GLN A 69 18.103 -0.351 -16.678 1.00 0.00 H new ATOM 1066 N VAL A 70 13.628 0.928 -12.429 1.00 0.00 N ATOM 1067 CA VAL A 70 13.306 2.109 -11.648 1.00 0.00 C ATOM 1068 C VAL A 70 11.817 2.435 -11.768 1.00 0.00 C ATOM 1069 O VAL A 70 11.198 2.176 -12.798 1.00 0.00 O ATOM 1070 CB VAL A 70 14.164 3.310 -12.111 1.00 0.00 C ATOM 1071 CG1 VAL A 70 13.977 3.563 -13.595 1.00 0.00 C ATOM 1072 CG2 VAL A 70 13.853 4.563 -11.305 1.00 0.00 C ATOM 0 H VAL A 70 13.798 1.117 -13.417 1.00 0.00 H new ATOM 0 HA VAL A 70 13.532 1.907 -10.601 1.00 0.00 H new ATOM 0 HB VAL A 70 15.209 3.057 -11.934 1.00 0.00 H new ATOM 0 HG11 VAL A 70 14.589 4.412 -13.899 1.00 0.00 H new ATOM 0 HG12 VAL A 70 14.279 2.678 -14.156 1.00 0.00 H new ATOM 0 HG13 VAL A 70 12.928 3.781 -13.798 1.00 0.00 H new ATOM 0 HG21 VAL A 70 14.474 5.386 -11.658 1.00 0.00 H new ATOM 0 HG22 VAL A 70 12.802 4.823 -11.428 1.00 0.00 H new ATOM 0 HG23 VAL A 70 14.060 4.378 -10.251 1.00 0.00 H new ATOM 1082 N ARG A 71 11.250 2.986 -10.705 1.00 0.00 N ATOM 1083 CA ARG A 71 9.835 3.319 -10.671 1.00 0.00 C ATOM 1084 C ARG A 71 9.583 4.654 -11.379 1.00 0.00 C ATOM 1085 O ARG A 71 9.485 4.702 -12.606 1.00 0.00 O ATOM 1086 CB ARG A 71 9.364 3.367 -9.214 1.00 0.00 C ATOM 1087 CG ARG A 71 7.887 3.647 -9.018 1.00 0.00 C ATOM 1088 CD ARG A 71 7.569 3.737 -7.536 1.00 0.00 C ATOM 1089 NE ARG A 71 8.634 4.428 -6.805 1.00 0.00 N ATOM 1090 CZ ARG A 71 8.720 4.486 -5.477 1.00 0.00 C ATOM 1091 NH1 ARG A 71 7.771 3.956 -4.718 1.00 0.00 N1+ ATOM 1092 NH2 ARG A 71 9.765 5.082 -4.915 1.00 0.00 N ATOM 0 H ARG A 71 11.754 3.213 -9.848 1.00 0.00 H new ATOM 0 HA ARG A 71 9.266 2.554 -11.199 1.00 0.00 H new ATOM 0 HB2 ARG A 71 9.602 2.414 -8.741 1.00 0.00 H new ATOM 0 HB3 ARG A 71 9.935 4.134 -8.690 1.00 0.00 H new ATOM 0 HG2 ARG A 71 7.616 4.579 -9.514 1.00 0.00 H new ATOM 0 HG3 ARG A 71 7.294 2.857 -9.478 1.00 0.00 H new ATOM 0 HD2 ARG A 71 6.626 4.266 -7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.436 2.735 -7.129 1.00 0.00 H new ATOM 0 HE ARG A 71 9.358 4.896 -7.350 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.968 3.500 -5.150 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.844 4.005 -3.702 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.494 5.491 -5.499 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.839 5.131 -3.899 1.00 0.00 H new ATOM 1106 N TRP A 72 9.447 5.726 -10.610 1.00 0.00 N ATOM 1107 CA TRP A 72 9.318 7.057 -11.178 1.00 0.00 C ATOM 1108 C TRP A 72 10.678 7.744 -11.221 1.00 0.00 C ATOM 1109 O TRP A 72 11.617 7.313 -10.548 1.00 0.00 O ATOM 1110 CB TRP A 72 8.300 7.902 -10.400 1.00 0.00 C ATOM 1111 CG TRP A 72 8.700 8.226 -8.997 1.00 0.00 C ATOM 1112 CD1 TRP A 72 8.708 7.381 -7.932 1.00 0.00 C ATOM 1113 CD2 TRP A 72 9.131 9.499 -8.504 1.00 0.00 C ATOM 1114 NE1 TRP A 72 9.109 8.046 -6.803 1.00 0.00 N ATOM 1115 CE2 TRP A 72 9.375 9.351 -7.129 1.00 0.00 C ATOM 1116 CE3 TRP A 72 9.329 10.749 -9.095 1.00 0.00 C ATOM 1117 CZ2 TRP A 72 9.810 10.406 -6.331 1.00 0.00 C ATOM 1118 CZ3 TRP A 72 9.762 11.796 -8.303 1.00 0.00 C ATOM 1119 CH2 TRP A 72 9.997 11.620 -6.934 1.00 0.00 C ATOM 0 H TRP A 72 9.423 5.698 -9.591 1.00 0.00 H new ATOM 0 HA TRP A 72 8.946 6.957 -12.198 1.00 0.00 H new ATOM 0 HB2 TRP A 72 8.133 8.834 -10.940 1.00 0.00 H new ATOM 0 HB3 TRP A 72 7.348 7.371 -10.379 1.00 0.00 H new ATOM 0 HD1 TRP A 72 8.437 6.336 -7.970 1.00 0.00 H new ATOM 0 HE1 TRP A 72 9.195 7.637 -5.873 1.00 0.00 H new ATOM 0 HE3 TRP A 72 9.147 10.895 -10.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 9.993 10.271 -5.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 9.922 12.767 -8.748 1.00 0.00 H new ATOM 0 HH2 TRP A 72 10.332 12.459 -6.342 1.00 0.00 H new ATOM 1130 N GLU A 73 10.776 8.811 -11.996 1.00 0.00 N ATOM 1131 CA GLU A 73 11.998 9.587 -12.074 1.00 0.00 C ATOM 1132 C GLU A 73 11.661 11.040 -12.349 1.00 0.00 C ATOM 1133 O GLU A 73 10.581 11.349 -12.854 1.00 0.00 O ATOM 1134 CB GLU A 73 12.916 9.067 -13.178 1.00 0.00 C ATOM 1135 CG GLU A 73 14.346 8.851 -12.715 1.00 0.00 C ATOM 1136 CD GLU A 73 15.303 8.621 -13.863 1.00 0.00 C ATOM 1137 OE1 GLU A 73 15.796 9.613 -14.437 1.00 0.00 O1- ATOM 1138 OE2 GLU A 73 15.587 7.453 -14.185 1.00 0.00 O1- ATOM 0 H GLU A 73 10.018 9.160 -12.583 1.00 0.00 H new ATOM 0 HA GLU A 73 12.518 9.495 -11.121 1.00 0.00 H new ATOM 0 HB2 GLU A 73 12.518 8.126 -13.559 1.00 0.00 H new ATOM 0 HB3 GLU A 73 12.912 9.774 -14.008 1.00 0.00 H new ATOM 0 HG2 GLU A 73 14.673 9.719 -12.143 1.00 0.00 H new ATOM 0 HG3 GLU A 73 14.380 7.994 -12.042 1.00 0.00 H new ATOM 1145 N TYR A 74 12.586 11.924 -12.002 1.00 0.00 N ATOM 1146 CA TYR A 74 12.448 13.343 -12.301 1.00 0.00 C ATOM 1147 C TYR A 74 12.807 13.610 -13.756 1.00 0.00 C ATOM 1148 O TYR A 74 13.286 12.721 -14.453 1.00 0.00 O ATOM 1149 CB TYR A 74 13.359 14.171 -11.394 1.00 0.00 C ATOM 1150 CG TYR A 74 12.898 14.244 -9.957 1.00 0.00 C ATOM 1151 CD1 TYR A 74 11.772 14.976 -9.610 1.00 0.00 C ATOM 1152 CD2 TYR A 74 13.595 13.589 -8.949 1.00 0.00 C ATOM 1153 CE1 TYR A 74 11.351 15.056 -8.294 1.00 0.00 C ATOM 1154 CE2 TYR A 74 13.180 13.662 -7.633 1.00 0.00 C ATOM 1155 CZ TYR A 74 12.059 14.397 -7.311 1.00 0.00 C ATOM 1156 OH TYR A 74 11.644 14.470 -6.001 1.00 0.00 O ATOM 0 H TYR A 74 13.446 11.681 -11.510 1.00 0.00 H new ATOM 0 HA TYR A 74 11.412 13.631 -12.125 1.00 0.00 H new ATOM 0 HB2 TYR A 74 14.363 13.747 -11.421 1.00 0.00 H new ATOM 0 HB3 TYR A 74 13.429 15.183 -11.794 1.00 0.00 H new ATOM 0 HD1 TYR A 74 11.215 15.491 -10.379 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.475 13.014 -9.198 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.473 15.631 -8.038 1.00 0.00 H new ATOM 0 HE2 TYR A 74 13.731 13.146 -6.861 1.00 0.00 H new ATOM 0 HH TYR A 74 12.252 13.949 -5.436 1.00 0.00 H new ATOM 1166 N CYS A 75 12.581 14.833 -14.209 1.00 0.00 N ATOM 1167 CA CYS A 75 12.951 15.219 -15.566 1.00 0.00 C ATOM 1168 C CYS A 75 13.702 16.545 -15.567 1.00 0.00 C ATOM 1169 O CYS A 75 13.333 17.481 -14.854 1.00 0.00 O ATOM 1170 CB CYS A 75 11.715 15.348 -16.448 1.00 0.00 C ATOM 1171 SG CYS A 75 10.622 13.894 -16.460 1.00 0.00 S ATOM 0 H CYS A 75 12.145 15.575 -13.661 1.00 0.00 H new ATOM 0 HA CYS A 75 13.599 14.438 -15.963 1.00 0.00 H new ATOM 0 HB2 CYS A 75 11.140 16.213 -16.117 1.00 0.00 H new ATOM 0 HB3 CYS A 75 12.036 15.551 -17.470 1.00 0.00 H new ATOM 1176 N LYS A 76 14.740 16.635 -16.385 1.00 0.00 N ATOM 1177 CA LYS A 76 15.535 17.850 -16.456 1.00 0.00 C ATOM 1178 C LYS A 76 14.975 18.799 -17.504 1.00 0.00 C ATOM 1179 O LYS A 76 15.360 18.749 -18.674 1.00 0.00 O ATOM 1180 CB LYS A 76 17.003 17.538 -16.773 1.00 0.00 C ATOM 1181 CG LYS A 76 17.885 18.779 -16.819 1.00 0.00 C ATOM 1182 CD LYS A 76 19.347 18.452 -17.101 1.00 0.00 C ATOM 1183 CE LYS A 76 19.619 18.239 -18.587 1.00 0.00 C ATOM 1184 NZ LYS A 76 19.114 16.933 -19.089 1.00 0.00 N1+ ATOM 0 H LYS A 76 15.049 15.886 -17.005 1.00 0.00 H new ATOM 0 HA LYS A 76 15.487 18.329 -15.478 1.00 0.00 H new ATOM 0 HB2 LYS A 76 17.392 16.852 -16.021 1.00 0.00 H new ATOM 0 HB3 LYS A 76 17.059 17.025 -17.733 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.513 19.455 -17.589 1.00 0.00 H new ATOM 0 HG3 LYS A 76 17.812 19.307 -15.868 1.00 0.00 H new ATOM 0 HD2 LYS A 76 19.976 19.262 -16.732 1.00 0.00 H new ATOM 0 HD3 LYS A 76 19.628 17.554 -16.551 1.00 0.00 H new ATOM 0 HE2 LYS A 76 19.154 19.045 -19.155 1.00 0.00 H new ATOM 0 HE3 LYS A 76 20.692 18.301 -18.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.770 16.559 -19.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 19.043 16.261 -18.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.175 17.065 -19.516 1.00 0.00 H new ATOM 1198 N ILE A 77 14.045 19.642 -17.090 1.00 0.00 N ATOM 1199 CA ILE A 77 13.578 20.713 -17.952 1.00 0.00 C ATOM 1200 C ILE A 77 14.484 21.925 -17.716 1.00 0.00 C ATOM 1201 O ILE A 77 14.993 22.086 -16.605 1.00 0.00 O ATOM 1202 CB ILE A 77 12.098 21.083 -17.658 1.00 0.00 C ATOM 1203 CG1 ILE A 77 11.226 19.828 -17.521 1.00 0.00 C ATOM 1204 CG2 ILE A 77 11.535 21.989 -18.741 1.00 0.00 C ATOM 1205 CD1 ILE A 77 11.338 18.846 -18.671 1.00 0.00 C ATOM 0 H ILE A 77 13.602 19.607 -16.172 1.00 0.00 H new ATOM 0 HA ILE A 77 13.622 20.389 -18.992 1.00 0.00 H new ATOM 0 HB ILE A 77 12.082 21.620 -16.710 1.00 0.00 H new ATOM 0 HG12 ILE A 77 11.494 19.316 -16.597 1.00 0.00 H new ATOM 0 HG13 ILE A 77 10.185 20.135 -17.424 1.00 0.00 H new ATOM 0 HG21 ILE A 77 10.498 22.232 -18.509 1.00 0.00 H new ATOM 0 HG22 ILE A 77 12.121 22.907 -18.788 1.00 0.00 H new ATOM 0 HG23 ILE A 77 11.582 21.479 -19.703 1.00 0.00 H new ATOM 0 HD11 ILE A 77 10.686 17.992 -18.485 1.00 0.00 H new ATOM 0 HD12 ILE A 77 11.039 19.336 -19.598 1.00 0.00 H new ATOM 0 HD13 ILE A 77 12.369 18.503 -18.758 1.00 0.00 H new ATOM 1217 N PRO A 78 14.750 22.767 -18.741 1.00 0.00 N ATOM 1218 CA PRO A 78 15.550 23.992 -18.567 1.00 0.00 C ATOM 1219 C PRO A 78 14.908 24.933 -17.557 1.00 0.00 C ATOM 1220 O PRO A 78 13.973 24.562 -16.875 1.00 0.00 O ATOM 1221 CB PRO A 78 15.552 24.620 -19.962 1.00 0.00 C ATOM 1222 CG PRO A 78 15.278 23.487 -20.879 1.00 0.00 C ATOM 1223 CD PRO A 78 14.322 22.602 -20.139 1.00 0.00 C ATOM 0 HA PRO A 78 16.551 23.787 -18.186 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.790 25.395 -20.050 1.00 0.00 H new ATOM 0 HB3 PRO A 78 16.511 25.089 -20.185 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.846 23.836 -21.817 1.00 0.00 H new ATOM 0 HG3 PRO A 78 16.195 22.953 -21.130 1.00 0.00 H new ATOM 0 HD2 PRO A 78 13.287 22.911 -20.285 1.00 0.00 H new ATOM 0 HD3 PRO A 78 14.394 21.565 -20.465 1.00 0.00 H new