USER MOD reduce.3.24.130724 H: found=0, std=0, add=674, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 675 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 9 LYS NZ :NH3+ -126:sc= 0.29 (180deg=0) USER MOD Set 1.2: A 77 TYR OH : rot 144:sc= 0.812 USER MOD Set 1.3: A 79 TYR OH : rot -71:sc= 0.344 USER MOD Set 2.1: A 13 MET CE :methyl 173:sc= -0.799 (180deg=-0.929) USER MOD Set 2.2: A 17 MET CE :methyl -107:sc= -3.33 (180deg=-8.12!) USER MOD Set 2.3: A 74 HIS : no HD1:sc= -2.46 K(o=-6.6,f=-10!) USER MOD Set 3.1: A 72 THR OG1 : rot -119:sc= -0.0855 USER MOD Set 3.2: A 73 LYS NZ :NH3+ 167:sc= -0.0422 (180deg=-0.213) USER MOD Single : A 10 ASN : amide:sc= -1.89 K(o=-1.9,f=-5.1!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN :FLIP amide:sc= -4.96! C(o=-6.6!,f=-5!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 CYS SG : rot -27:sc= -0.373 USER MOD Single : A 26 THR OG1 : rot 56:sc= 1.19 USER MOD Single : A 27 GLN : amide:sc= -5.55! C(o=-5.6!,f=-9.2!) USER MOD Single : A 29 MET CE :methyl 172:sc= -1.73 (180deg=-1.89) USER MOD Single : A 31 LYS NZ :NH3+ -107:sc= -2.6! (180deg=-5.41!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN :FLIP amide:sc= -0.0304 F(o=-2.5,f=-0.03) USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.0238 (180deg=-0.256) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= -0.0388 (180deg=-0.286) USER MOD Single : A 44 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.872) USER MOD Single : A 48 LYS NZ :NH3+ -167:sc= -0.0314 (180deg=-0.209) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 ASN :FLIP amide:sc= -3.06! C(o=-5.1!,f=-3.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -0.932 USER MOD Single : A 55 HIS : no HD1:sc= -2.83 X(o=-2.8,f=-2.9) USER MOD Single : A 56 CYS SG : rot 28:sc= -4.77 USER MOD Single : A 61 SER OG : rot -50:sc= 0.779 USER MOD Single : A 63 ASN :FLIP amide:sc= -0.611 F(o=-3.7!,f=-0.61) USER MOD Single : A 66 SER OG : rot 19:sc= 0.582 USER MOD Single : A 67 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 69 THR OG1 : rot 160:sc= 1.29 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= -0.0703 X(o=-0.07,f=-0.07) USER MOD Single : A 89 LYS NZ :NH3+ 140:sc= -0.106 (180deg=-0.557) USER MOD Single : A 90 SER OG : rot 68:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 89 N ALA A 6 3.686 7.270 10.378 1.00 0.00 N ATOM 90 CA ALA A 6 3.907 6.229 9.377 1.00 0.00 C ATOM 91 C ALA A 6 4.396 4.942 10.029 1.00 0.00 C ATOM 92 O ALA A 6 5.599 4.707 10.141 1.00 0.00 O ATOM 93 CB ALA A 6 4.899 6.704 8.327 1.00 0.00 C ATOM 0 HA ALA A 6 2.955 6.021 8.888 1.00 0.00 H new ATOM 0 HB1 ALA A 6 5.052 5.917 7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 6 4.508 7.593 7.833 1.00 0.00 H new ATOM 0 HB3 ALA A 6 5.849 6.943 8.805 1.00 0.00 H new ATOM 99 N VAL A 7 3.451 4.115 10.460 1.00 0.00 N ATOM 100 CA VAL A 7 3.778 2.850 11.106 1.00 0.00 C ATOM 101 C VAL A 7 2.684 1.813 10.868 1.00 0.00 C ATOM 102 O VAL A 7 1.532 2.158 10.605 1.00 0.00 O ATOM 103 CB VAL A 7 3.974 3.037 12.624 1.00 0.00 C ATOM 104 CG1 VAL A 7 4.330 1.716 13.292 1.00 0.00 C ATOM 105 CG2 VAL A 7 5.044 4.083 12.898 1.00 0.00 C ATOM 0 H VAL A 7 2.451 4.298 10.374 1.00 0.00 H new ATOM 0 HA VAL A 7 4.710 2.496 10.665 1.00 0.00 H new ATOM 0 HB VAL A 7 3.033 3.387 13.049 1.00 0.00 H new ATOM 0 HG11 VAL A 7 4.463 1.874 14.362 1.00 0.00 H new ATOM 0 HG12 VAL A 7 3.527 0.997 13.128 1.00 0.00 H new ATOM 0 HG13 VAL A 7 5.255 1.330 12.864 1.00 0.00 H new ATOM 0 HG21 VAL A 7 5.169 4.202 13.974 1.00 0.00 H new ATOM 0 HG22 VAL A 7 5.988 3.763 12.456 1.00 0.00 H new ATOM 0 HG23 VAL A 7 4.743 5.035 12.460 1.00 0.00 H new ATOM 115 N ILE A 8 3.053 0.539 10.966 1.00 0.00 N ATOM 116 CA ILE A 8 2.106 -0.551 10.765 1.00 0.00 C ATOM 117 C ILE A 8 1.173 -0.689 11.966 1.00 0.00 C ATOM 118 O ILE A 8 1.489 -0.227 13.062 1.00 0.00 O ATOM 119 CB ILE A 8 2.837 -1.891 10.532 1.00 0.00 C ATOM 120 CG1 ILE A 8 3.800 -1.771 9.351 1.00 0.00 C ATOM 121 CG2 ILE A 8 1.835 -3.012 10.293 1.00 0.00 C ATOM 122 CD1 ILE A 8 4.565 -3.043 9.064 1.00 0.00 C ATOM 0 H ILE A 8 4.003 0.237 11.184 1.00 0.00 H new ATOM 0 HA ILE A 8 1.519 -0.310 9.879 1.00 0.00 H new ATOM 0 HB ILE A 8 3.413 -2.132 11.426 1.00 0.00 H new ATOM 0 HG12 ILE A 8 3.238 -1.486 8.462 1.00 0.00 H new ATOM 0 HG13 ILE A 8 4.509 -0.967 9.551 1.00 0.00 H new ATOM 0 HG21 ILE A 8 2.369 -3.949 10.131 1.00 0.00 H new ATOM 0 HG22 ILE A 8 1.185 -3.111 11.162 1.00 0.00 H new ATOM 0 HG23 ILE A 8 1.233 -2.781 9.414 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.229 -2.885 8.214 1.00 0.00 H new ATOM 0 HD12 ILE A 8 5.155 -3.318 9.938 1.00 0.00 H new ATOM 0 HD13 ILE A 8 3.864 -3.845 8.832 1.00 0.00 H new ATOM 134 N LYS A 9 0.025 -1.324 11.753 1.00 0.00 N ATOM 135 CA LYS A 9 -0.948 -1.514 12.823 1.00 0.00 C ATOM 136 C LYS A 9 -1.308 -2.989 12.984 1.00 0.00 C ATOM 137 O LYS A 9 -1.293 -3.520 14.095 1.00 0.00 O ATOM 138 CB LYS A 9 -2.210 -0.696 12.546 1.00 0.00 C ATOM 139 CG LYS A 9 -3.238 -0.767 13.664 1.00 0.00 C ATOM 140 CD LYS A 9 -4.459 0.085 13.354 1.00 0.00 C ATOM 141 CE LYS A 9 -5.458 0.063 14.499 1.00 0.00 C ATOM 142 NZ LYS A 9 -6.667 0.878 14.197 1.00 0.00 N ATOM 0 H LYS A 9 -0.254 -1.714 10.853 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.495 -1.168 13.752 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.930 0.345 12.386 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.666 -1.049 11.621 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.544 -1.803 13.813 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.786 -0.431 14.597 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.148 1.112 13.161 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -4.937 -0.280 12.445 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -5.755 -0.966 14.702 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.982 0.441 15.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.819 1.569 14.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.531 1.380 13.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -7.496 0.255 14.124 1.00 0.00 H new ATOM 156 N ASN A 10 -1.632 -3.647 11.875 1.00 0.00 N ATOM 157 CA ASN A 10 -1.995 -5.059 11.908 1.00 0.00 C ATOM 158 C ASN A 10 -1.322 -5.820 10.771 1.00 0.00 C ATOM 159 O ASN A 10 -1.087 -5.269 9.694 1.00 0.00 O ATOM 160 CB ASN A 10 -3.515 -5.218 11.818 1.00 0.00 C ATOM 161 CG ASN A 10 -3.950 -6.669 11.882 1.00 0.00 C ATOM 162 OD1 ASN A 10 -3.577 -7.480 11.036 1.00 0.00 O ATOM 163 ND2 ASN A 10 -4.746 -7.004 12.890 1.00 0.00 N ATOM 0 H ASN A 10 -1.651 -3.227 10.946 1.00 0.00 H new ATOM 0 HA ASN A 10 -1.649 -5.477 12.854 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -3.984 -4.665 12.632 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.869 -4.776 10.887 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -5.072 -7.966 12.984 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -5.032 -6.300 13.570 1.00 0.00 H new ATOM 170 N ALA A 11 -1.014 -7.089 11.017 1.00 0.00 N ATOM 171 CA ALA A 11 -0.368 -7.924 10.014 1.00 0.00 C ATOM 172 C ALA A 11 -0.367 -9.391 10.437 1.00 0.00 C ATOM 173 O ALA A 11 0.234 -9.755 11.448 1.00 0.00 O ATOM 174 CB ALA A 11 1.054 -7.445 9.765 1.00 0.00 C ATOM 0 H ALA A 11 -1.202 -7.560 11.902 1.00 0.00 H new ATOM 0 HA ALA A 11 -0.936 -7.840 9.088 1.00 0.00 H new ATOM 0 HB1 ALA A 11 1.525 -8.078 9.013 1.00 0.00 H new ATOM 0 HB2 ALA A 11 1.034 -6.414 9.411 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.624 -7.499 10.693 1.00 0.00 H new ATOM 180 N ASP A 12 -1.042 -10.227 9.657 1.00 0.00 N ATOM 181 CA ASP A 12 -1.120 -11.654 9.949 1.00 0.00 C ATOM 182 C ASP A 12 -0.966 -12.473 8.672 1.00 0.00 C ATOM 183 O ASP A 12 -1.954 -12.914 8.085 1.00 0.00 O ATOM 184 CB ASP A 12 -2.452 -11.988 10.624 1.00 0.00 C ATOM 185 CG ASP A 12 -2.566 -13.454 10.992 1.00 0.00 C ATOM 186 OD1 ASP A 12 -2.494 -14.302 10.077 1.00 0.00 O ATOM 187 OD2 ASP A 12 -2.725 -13.755 12.194 1.00 0.00 O ATOM 0 H ASP A 12 -1.544 -9.941 8.816 1.00 0.00 H new ATOM 0 HA ASP A 12 -0.306 -11.908 10.628 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -2.562 -11.382 11.523 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.271 -11.720 9.957 1.00 0.00 H new ATOM 192 N MET A 13 0.276 -12.668 8.242 1.00 0.00 N ATOM 193 CA MET A 13 0.550 -13.428 7.029 1.00 0.00 C ATOM 194 C MET A 13 2.035 -13.766 6.907 1.00 0.00 C ATOM 195 O MET A 13 2.827 -13.466 7.801 1.00 0.00 O ATOM 196 CB MET A 13 0.076 -12.642 5.803 1.00 0.00 C ATOM 197 CG MET A 13 0.549 -11.198 5.792 1.00 0.00 C ATOM 198 SD MET A 13 -0.065 -10.275 4.370 1.00 0.00 S ATOM 199 CE MET A 13 -1.834 -10.411 4.617 1.00 0.00 C ATOM 0 H MET A 13 1.107 -12.311 8.714 1.00 0.00 H new ATOM 0 HA MET A 13 0.002 -14.368 7.085 1.00 0.00 H new ATOM 0 HB2 MET A 13 0.432 -13.140 4.901 1.00 0.00 H new ATOM 0 HB3 MET A 13 -1.013 -12.660 5.768 1.00 0.00 H new ATOM 0 HG2 MET A 13 0.222 -10.706 6.708 1.00 0.00 H new ATOM 0 HG3 MET A 13 1.639 -11.177 5.790 1.00 0.00 H new ATOM 0 HE1 MET A 13 -2.352 -9.787 3.889 1.00 0.00 H new ATOM 0 HE2 MET A 13 -2.141 -11.449 4.489 1.00 0.00 H new ATOM 0 HE3 MET A 13 -2.087 -10.080 5.624 1.00 0.00 H new ATOM 209 N SER A 14 2.401 -14.403 5.798 1.00 0.00 N ATOM 210 CA SER A 14 3.787 -14.800 5.553 1.00 0.00 C ATOM 211 C SER A 14 4.747 -13.616 5.648 1.00 0.00 C ATOM 212 O SER A 14 5.944 -13.805 5.858 1.00 0.00 O ATOM 213 CB SER A 14 3.910 -15.455 4.176 1.00 0.00 C ATOM 214 OG SER A 14 3.094 -16.609 4.085 1.00 0.00 O ATOM 0 H SER A 14 1.755 -14.657 5.051 1.00 0.00 H new ATOM 0 HA SER A 14 4.063 -15.515 6.328 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.623 -14.741 3.404 1.00 0.00 H new ATOM 0 HB3 SER A 14 4.949 -15.725 3.990 1.00 0.00 H new ATOM 0 HG SER A 14 3.189 -17.008 3.195 1.00 0.00 H new ATOM 220 N GLU A 15 4.216 -12.401 5.483 1.00 0.00 N ATOM 221 CA GLU A 15 5.015 -11.169 5.541 1.00 0.00 C ATOM 222 C GLU A 15 5.593 -10.815 4.173 1.00 0.00 C ATOM 223 O GLU A 15 5.950 -9.662 3.924 1.00 0.00 O ATOM 224 CB GLU A 15 6.145 -11.273 6.574 1.00 0.00 C ATOM 225 CG GLU A 15 5.668 -11.671 7.961 1.00 0.00 C ATOM 226 CD GLU A 15 6.801 -11.769 8.964 1.00 0.00 C ATOM 227 OE1 GLU A 15 7.964 -11.530 8.574 1.00 0.00 O ATOM 228 OE2 GLU A 15 6.527 -12.085 10.140 1.00 0.00 O ATOM 0 H GLU A 15 3.224 -12.242 5.306 1.00 0.00 H new ATOM 0 HA GLU A 15 4.340 -10.372 5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.877 -12.003 6.227 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.658 -10.313 6.637 1.00 0.00 H new ATOM 0 HG2 GLU A 15 4.939 -10.941 8.313 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.156 -12.631 7.903 1.00 0.00 H new ATOM 235 N ASP A 16 5.667 -11.798 3.280 1.00 0.00 N ATOM 236 CA ASP A 16 6.186 -11.558 1.942 1.00 0.00 C ATOM 237 C ASP A 16 5.315 -10.539 1.223 1.00 0.00 C ATOM 238 O ASP A 16 5.761 -9.866 0.294 1.00 0.00 O ATOM 239 CB ASP A 16 6.249 -12.862 1.144 1.00 0.00 C ATOM 240 CG ASP A 16 4.893 -13.530 1.011 1.00 0.00 C ATOM 241 OD1 ASP A 16 3.905 -12.987 1.551 1.00 0.00 O ATOM 242 OD2 ASP A 16 4.818 -14.597 0.367 1.00 0.00 O ATOM 0 H ASP A 16 5.376 -12.759 3.459 1.00 0.00 H new ATOM 0 HA ASP A 16 7.198 -11.162 2.027 1.00 0.00 H new ATOM 0 HB2 ASP A 16 6.648 -12.657 0.151 1.00 0.00 H new ATOM 0 HB3 ASP A 16 6.942 -13.548 1.630 1.00 0.00 H new ATOM 247 N MET A 17 4.072 -10.419 1.675 1.00 0.00 N ATOM 248 CA MET A 17 3.140 -9.470 1.097 1.00 0.00 C ATOM 249 C MET A 17 3.289 -8.125 1.768 1.00 0.00 C ATOM 250 O MET A 17 3.190 -7.092 1.116 1.00 0.00 O ATOM 251 CB MET A 17 1.708 -9.989 1.204 1.00 0.00 C ATOM 252 CG MET A 17 1.419 -11.156 0.273 1.00 0.00 C ATOM 253 SD MET A 17 -0.265 -11.780 0.433 1.00 0.00 S ATOM 254 CE MET A 17 -0.226 -12.447 2.095 1.00 0.00 C ATOM 0 H MET A 17 3.689 -10.971 2.443 1.00 0.00 H new ATOM 0 HA MET A 17 3.368 -9.350 0.038 1.00 0.00 H new ATOM 0 HB2 MET A 17 1.517 -10.297 2.232 1.00 0.00 H new ATOM 0 HB3 MET A 17 1.017 -9.176 0.981 1.00 0.00 H new ATOM 0 HG2 MET A 17 1.589 -10.843 -0.757 1.00 0.00 H new ATOM 0 HG3 MET A 17 2.122 -11.963 0.481 1.00 0.00 H new ATOM 0 HE1 MET A 17 -0.217 -13.536 2.050 1.00 0.00 H new ATOM 0 HE2 MET A 17 0.671 -12.097 2.606 1.00 0.00 H new ATOM 0 HE3 MET A 17 -1.108 -12.114 2.641 1.00 0.00 H new ATOM 264 N GLN A 18 3.577 -8.130 3.062 1.00 0.00 N ATOM 265 CA GLN A 18 3.796 -6.883 3.763 1.00 0.00 C ATOM 266 C GLN A 18 5.010 -6.198 3.153 1.00 0.00 C ATOM 267 O GLN A 18 5.154 -4.979 3.215 1.00 0.00 O ATOM 268 CB GLN A 18 4.012 -7.140 5.248 1.00 0.00 C ATOM 269 CG GLN A 18 2.886 -7.936 5.876 1.00 0.00 C ATOM 270 CD GLN A 18 3.168 -8.312 7.313 1.00 0.00 C ATOM 271 OE1 GLN A 18 3.085 -9.602 7.605 1.00 0.00 O flip ATOM 272 NE2 GLN A 18 3.446 -7.456 8.152 1.00 0.00 N flip ATOM 0 H GLN A 18 3.662 -8.970 3.635 1.00 0.00 H new ATOM 0 HA GLN A 18 2.922 -6.240 3.663 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.951 -7.676 5.386 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.110 -6.186 5.767 1.00 0.00 H new ATOM 0 HG2 GLN A 18 1.966 -7.354 5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 18 2.718 -8.842 5.294 1.00 0.00 H new ATOM 0 HE21 GLN A 18 3.499 -6.474 7.881 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.624 -7.728 9.119 1.00 0.00 H new ATOM 281 N GLN A 19 5.866 -7.009 2.528 1.00 0.00 N ATOM 282 CA GLN A 19 7.054 -6.502 1.871 1.00 0.00 C ATOM 283 C GLN A 19 6.692 -6.003 0.480 1.00 0.00 C ATOM 284 O GLN A 19 6.969 -4.859 0.123 1.00 0.00 O ATOM 285 CB GLN A 19 8.119 -7.595 1.782 1.00 0.00 C ATOM 286 CG GLN A 19 9.384 -7.152 1.072 1.00 0.00 C ATOM 287 CD GLN A 19 10.435 -8.243 1.010 1.00 0.00 C ATOM 288 OE1 GLN A 19 10.890 -8.742 2.037 1.00 0.00 O ATOM 289 NE2 GLN A 19 10.823 -8.619 -0.204 1.00 0.00 N ATOM 0 H GLN A 19 5.751 -8.021 2.468 1.00 0.00 H new ATOM 0 HA GLN A 19 7.459 -5.675 2.454 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.374 -7.925 2.789 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.702 -8.456 1.260 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.135 -6.836 0.059 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.798 -6.284 1.585 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.418 -8.177 -1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.526 -9.350 -0.311 1.00 0.00 H new ATOM 298 N ASP A 20 6.045 -6.871 -0.289 1.00 0.00 N ATOM 299 CA ASP A 20 5.608 -6.528 -1.636 1.00 0.00 C ATOM 300 C ASP A 20 4.527 -5.457 -1.581 1.00 0.00 C ATOM 301 O ASP A 20 4.248 -4.789 -2.573 1.00 0.00 O ATOM 302 CB ASP A 20 5.081 -7.773 -2.356 1.00 0.00 C ATOM 303 CG ASP A 20 4.737 -7.508 -3.810 1.00 0.00 C ATOM 304 OD1 ASP A 20 4.962 -6.372 -4.278 1.00 0.00 O ATOM 305 OD2 ASP A 20 4.250 -8.441 -4.483 1.00 0.00 O ATOM 0 H ASP A 20 5.811 -7.821 -0.001 1.00 0.00 H new ATOM 0 HA ASP A 20 6.461 -6.138 -2.191 1.00 0.00 H new ATOM 0 HB2 ASP A 20 5.830 -8.563 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 20 4.194 -8.139 -1.838 1.00 0.00 H new ATOM 310 N ALA A 21 3.930 -5.288 -0.406 1.00 0.00 N ATOM 311 CA ALA A 21 2.889 -4.289 -0.211 1.00 0.00 C ATOM 312 C ALA A 21 3.512 -2.932 0.066 1.00 0.00 C ATOM 313 O ALA A 21 3.121 -1.925 -0.522 1.00 0.00 O ATOM 314 CB ALA A 21 1.965 -4.694 0.927 1.00 0.00 C ATOM 0 H ALA A 21 4.151 -5.833 0.428 1.00 0.00 H new ATOM 0 HA ALA A 21 2.296 -4.222 -1.123 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.194 -3.935 1.057 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.497 -5.650 0.693 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.541 -4.788 1.848 1.00 0.00 H new ATOM 320 N VAL A 22 4.494 -2.916 0.959 1.00 0.00 N ATOM 321 CA VAL A 22 5.182 -1.682 1.299 1.00 0.00 C ATOM 322 C VAL A 22 5.921 -1.138 0.086 1.00 0.00 C ATOM 323 O VAL A 22 6.064 0.076 -0.067 1.00 0.00 O ATOM 324 CB VAL A 22 6.175 -1.879 2.464 1.00 0.00 C ATOM 325 CG1 VAL A 22 6.925 -0.587 2.758 1.00 0.00 C ATOM 326 CG2 VAL A 22 5.448 -2.368 3.707 1.00 0.00 C ATOM 0 H VAL A 22 4.829 -3.741 1.457 1.00 0.00 H new ATOM 0 HA VAL A 22 4.424 -0.967 1.619 1.00 0.00 H new ATOM 0 HB VAL A 22 6.902 -2.636 2.169 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.619 -0.749 3.582 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.480 -0.278 1.872 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.214 0.193 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.164 -2.501 4.518 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.698 -1.634 4.002 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.961 -3.319 3.493 1.00 0.00 H new ATOM 336 N ASP A 23 6.371 -2.033 -0.790 1.00 0.00 N ATOM 337 CA ASP A 23 7.068 -1.599 -1.994 1.00 0.00 C ATOM 338 C ASP A 23 6.070 -1.332 -3.097 1.00 0.00 C ATOM 339 O ASP A 23 6.184 -0.342 -3.817 1.00 0.00 O ATOM 340 CB ASP A 23 8.135 -2.605 -2.438 1.00 0.00 C ATOM 341 CG ASP A 23 7.597 -4.010 -2.607 1.00 0.00 C ATOM 342 OD1 ASP A 23 6.621 -4.188 -3.365 1.00 0.00 O ATOM 343 OD2 ASP A 23 8.167 -4.936 -1.992 1.00 0.00 O ATOM 0 H ASP A 23 6.268 -3.043 -0.691 1.00 0.00 H new ATOM 0 HA ASP A 23 7.595 -0.673 -1.764 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.568 -2.273 -3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 23 8.941 -2.617 -1.704 1.00 0.00 H new ATOM 348 N CYS A 24 5.055 -2.176 -3.196 1.00 0.00 N ATOM 349 CA CYS A 24 4.018 -1.953 -4.183 1.00 0.00 C ATOM 350 C CYS A 24 3.225 -0.716 -3.782 1.00 0.00 C ATOM 351 O CYS A 24 2.514 -0.133 -4.595 1.00 0.00 O ATOM 352 CB CYS A 24 3.092 -3.165 -4.302 1.00 0.00 C ATOM 353 SG CYS A 24 1.763 -2.959 -5.510 1.00 0.00 S ATOM 0 H CYS A 24 4.930 -3.006 -2.616 1.00 0.00 H new ATOM 0 HA CYS A 24 4.480 -1.802 -5.159 1.00 0.00 H new ATOM 0 HB2 CYS A 24 3.686 -4.037 -4.575 1.00 0.00 H new ATOM 0 HB3 CYS A 24 2.653 -3.371 -3.326 1.00 0.00 H new ATOM 0 HG CYS A 24 1.483 -1.696 -5.636 1.00 0.00 H new ATOM 359 N ALA A 25 3.380 -0.304 -2.518 1.00 0.00 N ATOM 360 CA ALA A 25 2.706 0.878 -2.010 1.00 0.00 C ATOM 361 C ALA A 25 3.548 2.110 -2.300 1.00 0.00 C ATOM 362 O ALA A 25 3.029 3.153 -2.696 1.00 0.00 O ATOM 363 CB ALA A 25 2.448 0.745 -0.517 1.00 0.00 C ATOM 0 H ALA A 25 3.969 -0.778 -1.834 1.00 0.00 H new ATOM 0 HA ALA A 25 1.743 0.981 -2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.942 1.640 -0.154 1.00 0.00 H new ATOM 0 HB2 ALA A 25 1.820 -0.127 -0.333 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.396 0.626 0.007 1.00 0.00 H new ATOM 369 N THR A 26 4.857 1.972 -2.119 1.00 0.00 N ATOM 370 CA THR A 26 5.779 3.064 -2.384 1.00 0.00 C ATOM 371 C THR A 26 5.850 3.322 -3.881 1.00 0.00 C ATOM 372 O THR A 26 5.834 4.468 -4.332 1.00 0.00 O ATOM 373 CB THR A 26 7.170 2.740 -1.835 1.00 0.00 C ATOM 374 OG1 THR A 26 7.117 2.517 -0.437 1.00 0.00 O ATOM 375 CG2 THR A 26 8.185 3.835 -2.085 1.00 0.00 C ATOM 0 H THR A 26 5.301 1.114 -1.790 1.00 0.00 H new ATOM 0 HA THR A 26 5.416 3.961 -1.883 1.00 0.00 H new ATOM 0 HB THR A 26 7.488 1.844 -2.368 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.468 1.809 -0.243 1.00 0.00 H new ATOM 0 HG21 THR A 26 9.149 3.540 -1.670 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.287 3.999 -3.158 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.851 4.756 -1.607 1.00 0.00 H new ATOM 383 N GLN A 27 5.896 2.239 -4.649 1.00 0.00 N ATOM 384 CA GLN A 27 5.935 2.343 -6.099 1.00 0.00 C ATOM 385 C GLN A 27 4.578 2.779 -6.607 1.00 0.00 C ATOM 386 O GLN A 27 4.483 3.569 -7.544 1.00 0.00 O ATOM 387 CB GLN A 27 6.344 1.011 -6.734 1.00 0.00 C ATOM 388 CG GLN A 27 7.834 0.713 -6.636 1.00 0.00 C ATOM 389 CD GLN A 27 8.351 0.720 -5.211 1.00 0.00 C ATOM 390 OE1 GLN A 27 8.340 1.750 -4.537 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.814 -0.433 -4.746 1.00 0.00 N ATOM 0 H GLN A 27 5.907 1.284 -4.292 1.00 0.00 H new ATOM 0 HA GLN A 27 6.682 3.086 -6.380 1.00 0.00 H new ATOM 0 HB2 GLN A 27 5.790 0.205 -6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 27 6.053 1.016 -7.784 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.034 -0.261 -7.083 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.385 1.451 -7.219 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.804 -1.263 -5.339 1.00 0.00 H new ATOM 0 HE22 GLN A 27 9.180 -0.490 -3.795 1.00 0.00 H new ATOM 400 N ALA A 28 3.525 2.285 -5.967 1.00 0.00 N ATOM 401 CA ALA A 28 2.178 2.661 -6.352 1.00 0.00 C ATOM 402 C ALA A 28 1.995 4.162 -6.194 1.00 0.00 C ATOM 403 O ALA A 28 1.402 4.820 -7.046 1.00 0.00 O ATOM 404 CB ALA A 28 1.144 1.911 -5.527 1.00 0.00 C ATOM 0 H ALA A 28 3.580 1.630 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 28 2.031 2.392 -7.398 1.00 0.00 H new ATOM 0 HB1 ALA A 28 0.143 2.212 -5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.264 0.839 -5.681 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.283 2.144 -4.471 1.00 0.00 H new ATOM 410 N MET A 29 2.528 4.696 -5.100 1.00 0.00 N ATOM 411 CA MET A 29 2.442 6.122 -4.829 1.00 0.00 C ATOM 412 C MET A 29 3.483 6.886 -5.641 1.00 0.00 C ATOM 413 O MET A 29 3.370 8.098 -5.826 1.00 0.00 O ATOM 414 CB MET A 29 2.633 6.398 -3.336 1.00 0.00 C ATOM 415 CG MET A 29 1.536 5.810 -2.464 1.00 0.00 C ATOM 416 SD MET A 29 1.797 6.127 -0.709 1.00 0.00 S ATOM 417 CE MET A 29 3.374 5.318 -0.450 1.00 0.00 C ATOM 0 H MET A 29 3.024 4.160 -4.388 1.00 0.00 H new ATOM 0 HA MET A 29 1.450 6.465 -5.123 1.00 0.00 H new ATOM 0 HB2 MET A 29 3.594 5.992 -3.020 1.00 0.00 H new ATOM 0 HB3 MET A 29 2.674 7.475 -3.176 1.00 0.00 H new ATOM 0 HG2 MET A 29 0.575 6.227 -2.765 1.00 0.00 H new ATOM 0 HG3 MET A 29 1.483 4.734 -2.631 1.00 0.00 H new ATOM 0 HE1 MET A 29 3.740 5.546 0.551 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.251 4.240 -0.555 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.092 5.675 -1.189 1.00 0.00 H new ATOM 427 N GLU A 30 4.488 6.170 -6.136 1.00 0.00 N ATOM 428 CA GLU A 30 5.533 6.777 -6.938 1.00 0.00 C ATOM 429 C GLU A 30 5.100 6.831 -8.395 1.00 0.00 C ATOM 430 O GLU A 30 5.355 7.810 -9.099 1.00 0.00 O ATOM 431 CB GLU A 30 6.834 5.985 -6.801 1.00 0.00 C ATOM 432 CG GLU A 30 7.968 6.537 -7.643 1.00 0.00 C ATOM 433 CD GLU A 30 9.250 5.743 -7.488 1.00 0.00 C ATOM 434 OE1 GLU A 30 9.767 5.663 -6.354 1.00 0.00 O ATOM 435 OE2 GLU A 30 9.738 5.201 -8.503 1.00 0.00 O ATOM 0 H GLU A 30 4.597 5.166 -5.993 1.00 0.00 H new ATOM 0 HA GLU A 30 5.707 7.793 -6.582 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.138 5.979 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.651 4.949 -7.086 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.670 6.538 -8.691 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.152 7.574 -7.363 1.00 0.00 H new ATOM 442 N LYS A 31 4.435 5.771 -8.838 1.00 0.00 N ATOM 443 CA LYS A 31 3.952 5.689 -10.209 1.00 0.00 C ATOM 444 C LYS A 31 2.544 6.269 -10.318 1.00 0.00 C ATOM 445 O LYS A 31 2.188 6.889 -11.321 1.00 0.00 O ATOM 446 CB LYS A 31 3.962 4.236 -10.693 1.00 0.00 C ATOM 447 CG LYS A 31 2.863 3.378 -10.084 1.00 0.00 C ATOM 448 CD LYS A 31 2.987 1.915 -10.488 1.00 0.00 C ATOM 449 CE LYS A 31 2.830 1.718 -11.990 1.00 0.00 C ATOM 450 NZ LYS A 31 4.016 2.197 -12.753 1.00 0.00 N ATOM 0 H LYS A 31 4.218 4.955 -8.266 1.00 0.00 H new ATOM 0 HA LYS A 31 4.619 6.274 -10.842 1.00 0.00 H new ATOM 0 HB2 LYS A 31 3.860 4.224 -11.778 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.929 3.791 -10.458 1.00 0.00 H new ATOM 0 HG2 LYS A 31 2.902 3.458 -8.998 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.891 3.759 -10.397 1.00 0.00 H new ATOM 0 HD2 LYS A 31 3.958 1.534 -10.173 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.230 1.330 -9.965 1.00 0.00 H new ATOM 0 HE2 LYS A 31 2.669 0.661 -12.200 1.00 0.00 H new ATOM 0 HE3 LYS A 31 1.942 2.250 -12.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.777 3.081 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.804 2.369 -12.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.295 1.476 -13.449 1.00 0.00 H new ATOM 464 N TYR A 32 1.750 6.072 -9.268 1.00 0.00 N ATOM 465 CA TYR A 32 0.382 6.583 -9.227 1.00 0.00 C ATOM 466 C TYR A 32 0.198 7.489 -8.021 1.00 0.00 C ATOM 467 O TYR A 32 0.567 7.136 -6.905 1.00 0.00 O ATOM 468 CB TYR A 32 -0.628 5.432 -9.182 1.00 0.00 C ATOM 469 CG TYR A 32 -0.639 4.577 -10.428 1.00 0.00 C ATOM 470 CD1 TYR A 32 -0.831 5.144 -11.682 1.00 0.00 C ATOM 471 CD2 TYR A 32 -0.466 3.201 -10.352 1.00 0.00 C ATOM 472 CE1 TYR A 32 -0.849 4.365 -12.823 1.00 0.00 C ATOM 473 CE2 TYR A 32 -0.481 2.414 -11.488 1.00 0.00 C ATOM 474 CZ TYR A 32 -0.673 3.002 -12.721 1.00 0.00 C ATOM 475 OH TYR A 32 -0.690 2.223 -13.855 1.00 0.00 O ATOM 0 H TYR A 32 2.032 5.560 -8.432 1.00 0.00 H new ATOM 0 HA TYR A 32 0.204 7.160 -10.135 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.406 4.800 -8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.626 5.843 -9.027 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -0.969 6.212 -11.766 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.317 2.738 -9.388 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.000 4.822 -13.790 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.343 1.346 -11.411 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.550 1.285 -13.609 1.00 0.00 H new ATOM 485 N ASN A 33 -0.370 8.662 -8.253 1.00 0.00 N ATOM 486 CA ASN A 33 -0.598 9.619 -7.183 1.00 0.00 C ATOM 487 C ASN A 33 -2.083 9.718 -6.859 1.00 0.00 C ATOM 488 O ASN A 33 -2.517 10.635 -6.162 1.00 0.00 O ATOM 489 CB ASN A 33 -0.049 10.996 -7.576 1.00 0.00 C ATOM 490 CG ASN A 33 1.453 10.997 -7.845 1.00 0.00 C ATOM 491 OD1 ASN A 33 2.137 9.898 -7.524 1.00 0.00 O flip ATOM 492 ND2 ASN A 33 1.999 11.991 -8.323 1.00 0.00 N flip ATOM 0 H ASN A 33 -0.681 8.974 -9.173 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.073 9.272 -6.293 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -0.570 11.346 -8.467 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.268 11.707 -6.779 1.00 0.00 H new ATOM 0 HD21 ASN A 33 1.445 12.815 -8.557 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.006 11.991 -8.485 1.00 0.00 H new ATOM 499 N ILE A 34 -2.861 8.767 -7.370 1.00 0.00 N ATOM 500 CA ILE A 34 -4.293 8.748 -7.131 1.00 0.00 C ATOM 501 C ILE A 34 -4.624 7.836 -5.956 1.00 0.00 C ATOM 502 O ILE A 34 -3.740 7.439 -5.198 1.00 0.00 O ATOM 503 CB ILE A 34 -5.067 8.248 -8.372 1.00 0.00 C ATOM 504 CG1 ILE A 34 -4.203 8.333 -9.633 1.00 0.00 C ATOM 505 CG2 ILE A 34 -6.362 9.031 -8.542 1.00 0.00 C ATOM 506 CD1 ILE A 34 -4.984 8.248 -10.930 1.00 0.00 C ATOM 0 H ILE A 34 -2.520 8.002 -7.951 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.595 9.772 -6.910 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.319 7.199 -8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.648 9.271 -9.617 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -3.468 7.528 -9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.895 8.667 -9.420 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.986 8.899 -7.658 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.133 10.089 -8.670 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -4.297 8.316 -11.774 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -5.517 7.298 -10.972 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -5.700 9.068 -10.978 1.00 0.00 H new ATOM 518 N GLU A 35 -5.899 7.494 -5.821 1.00 0.00 N ATOM 519 CA GLU A 35 -6.350 6.613 -4.763 1.00 0.00 C ATOM 520 C GLU A 35 -7.006 5.369 -5.357 1.00 0.00 C ATOM 521 O GLU A 35 -7.115 4.336 -4.698 1.00 0.00 O ATOM 522 CB GLU A 35 -7.327 7.347 -3.844 1.00 0.00 C ATOM 523 CG GLU A 35 -7.932 6.459 -2.775 1.00 0.00 C ATOM 524 CD GLU A 35 -8.886 7.207 -1.862 1.00 0.00 C ATOM 525 OE1 GLU A 35 -9.075 8.424 -2.065 1.00 0.00 O ATOM 526 OE2 GLU A 35 -9.443 6.572 -0.940 1.00 0.00 O ATOM 0 H GLU A 35 -6.642 7.819 -6.440 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.488 6.302 -4.173 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.809 8.178 -3.365 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.128 7.775 -4.446 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.463 5.635 -3.251 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -7.133 6.021 -2.178 1.00 0.00 H new ATOM 533 N LYS A 36 -7.433 5.474 -6.615 1.00 0.00 N ATOM 534 CA LYS A 36 -8.066 4.362 -7.307 1.00 0.00 C ATOM 535 C LYS A 36 -7.040 3.574 -8.116 1.00 0.00 C ATOM 536 O LYS A 36 -7.275 2.420 -8.469 1.00 0.00 O ATOM 537 CB LYS A 36 -9.178 4.873 -8.223 1.00 0.00 C ATOM 538 CG LYS A 36 -10.272 5.629 -7.488 1.00 0.00 C ATOM 539 CD LYS A 36 -11.351 6.115 -8.441 1.00 0.00 C ATOM 540 CE LYS A 36 -12.444 6.875 -7.704 1.00 0.00 C ATOM 541 NZ LYS A 36 -13.110 6.029 -6.675 1.00 0.00 N ATOM 0 H LYS A 36 -7.350 6.323 -7.174 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.500 3.697 -6.560 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.743 5.525 -8.980 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -9.622 4.027 -8.748 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.717 4.982 -6.732 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.838 6.480 -6.964 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.905 6.760 -9.199 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.787 5.264 -8.963 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.015 7.757 -7.227 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -13.186 7.229 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -13.981 6.497 -6.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -13.347 5.104 -7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.468 5.895 -5.868 1.00 0.00 H new ATOM 555 N ASP A 37 -5.894 4.197 -8.400 1.00 0.00 N ATOM 556 CA ASP A 37 -4.838 3.536 -9.151 1.00 0.00 C ATOM 557 C ASP A 37 -3.892 2.826 -8.201 1.00 0.00 C ATOM 558 O ASP A 37 -3.298 1.805 -8.543 1.00 0.00 O ATOM 559 CB ASP A 37 -4.076 4.544 -10.013 1.00 0.00 C ATOM 560 CG ASP A 37 -4.947 5.144 -11.098 1.00 0.00 C ATOM 561 OD1 ASP A 37 -6.002 5.720 -10.760 1.00 0.00 O ATOM 562 OD2 ASP A 37 -4.576 5.036 -12.286 1.00 0.00 O ATOM 0 H ASP A 37 -5.679 5.154 -8.120 1.00 0.00 H new ATOM 0 HA ASP A 37 -5.291 2.798 -9.813 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.688 5.341 -9.379 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.217 4.053 -10.470 1.00 0.00 H new ATOM 567 N ILE A 38 -3.786 3.356 -6.988 1.00 0.00 N ATOM 568 CA ILE A 38 -2.947 2.748 -5.974 1.00 0.00 C ATOM 569 C ILE A 38 -3.606 1.465 -5.512 1.00 0.00 C ATOM 570 O ILE A 38 -2.948 0.467 -5.226 1.00 0.00 O ATOM 571 CB ILE A 38 -2.764 3.672 -4.757 1.00 0.00 C ATOM 572 CG1 ILE A 38 -2.368 5.075 -5.210 1.00 0.00 C ATOM 573 CG2 ILE A 38 -1.724 3.102 -3.808 1.00 0.00 C ATOM 574 CD1 ILE A 38 -1.084 5.108 -6.000 1.00 0.00 C ATOM 0 H ILE A 38 -4.270 4.202 -6.688 1.00 0.00 H new ATOM 0 HA ILE A 38 -1.966 2.559 -6.409 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.713 3.737 -4.225 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.171 5.493 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.264 5.716 -4.334 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.607 3.768 -2.953 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.047 2.120 -3.462 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.770 3.008 -4.327 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -0.862 6.135 -6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -0.270 4.720 -5.388 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.191 4.493 -6.894 1.00 0.00 H new ATOM 586 N ALA A 39 -4.929 1.505 -5.476 1.00 0.00 N ATOM 587 CA ALA A 39 -5.724 0.357 -5.076 1.00 0.00 C ATOM 588 C ALA A 39 -5.947 -0.563 -6.262 1.00 0.00 C ATOM 589 O ALA A 39 -6.109 -1.773 -6.109 1.00 0.00 O ATOM 590 CB ALA A 39 -7.055 0.809 -4.494 1.00 0.00 C ATOM 0 H ALA A 39 -5.478 2.329 -5.722 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.182 -0.192 -4.306 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -7.638 -0.063 -4.199 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -6.876 1.437 -3.621 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -7.606 1.377 -5.244 1.00 0.00 H new ATOM 596 N ALA A 40 -5.927 0.025 -7.452 1.00 0.00 N ATOM 597 CA ALA A 40 -6.105 -0.742 -8.674 1.00 0.00 C ATOM 598 C ALA A 40 -4.778 -1.343 -9.107 1.00 0.00 C ATOM 599 O ALA A 40 -4.740 -2.355 -9.807 1.00 0.00 O ATOM 600 CB ALA A 40 -6.682 0.131 -9.777 1.00 0.00 C ATOM 0 H ALA A 40 -5.790 1.026 -7.594 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.810 -1.550 -8.480 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.807 -0.462 -10.683 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.650 0.522 -9.463 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.003 0.960 -9.977 1.00 0.00 H new ATOM 606 N TYR A 41 -3.689 -0.720 -8.668 1.00 0.00 N ATOM 607 CA TYR A 41 -2.358 -1.204 -9.001 1.00 0.00 C ATOM 608 C TYR A 41 -1.942 -2.289 -8.022 1.00 0.00 C ATOM 609 O TYR A 41 -1.285 -3.255 -8.389 1.00 0.00 O ATOM 610 CB TYR A 41 -1.338 -0.066 -8.981 1.00 0.00 C ATOM 611 CG TYR A 41 0.048 -0.498 -9.404 1.00 0.00 C ATOM 612 CD1 TYR A 41 0.289 -0.957 -10.694 1.00 0.00 C ATOM 613 CD2 TYR A 41 1.113 -0.457 -8.515 1.00 0.00 C ATOM 614 CE1 TYR A 41 1.552 -1.359 -11.083 1.00 0.00 C ATOM 615 CE2 TYR A 41 2.380 -0.857 -8.897 1.00 0.00 C ATOM 616 CZ TYR A 41 2.594 -1.307 -10.182 1.00 0.00 C ATOM 617 OH TYR A 41 3.853 -1.707 -10.567 1.00 0.00 O ATOM 0 H TYR A 41 -3.703 0.116 -8.084 1.00 0.00 H new ATOM 0 HA TYR A 41 -2.388 -1.617 -10.009 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -1.680 0.731 -9.641 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -1.290 0.352 -7.975 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.524 -1.000 -11.403 1.00 0.00 H new ATOM 0 HD2 TYR A 41 0.949 -0.106 -7.507 1.00 0.00 H new ATOM 0 HE1 TYR A 41 1.722 -1.713 -12.089 1.00 0.00 H new ATOM 0 HE2 TYR A 41 3.198 -0.817 -8.192 1.00 0.00 H new ATOM 0 HH TYR A 41 4.473 -1.607 -9.814 1.00 0.00 H new ATOM 627 N ILE A 42 -2.359 -2.126 -6.774 1.00 0.00 N ATOM 628 CA ILE A 42 -2.058 -3.096 -5.732 1.00 0.00 C ATOM 629 C ILE A 42 -2.993 -4.287 -5.861 1.00 0.00 C ATOM 630 O ILE A 42 -2.636 -5.420 -5.539 1.00 0.00 O ATOM 631 CB ILE A 42 -2.208 -2.470 -4.331 1.00 0.00 C ATOM 632 CG1 ILE A 42 -1.222 -1.315 -4.160 1.00 0.00 C ATOM 633 CG2 ILE A 42 -1.993 -3.516 -3.245 1.00 0.00 C ATOM 634 CD1 ILE A 42 -1.591 -0.377 -3.032 1.00 0.00 C ATOM 0 H ILE A 42 -2.909 -1.327 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 42 -1.025 -3.421 -5.853 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.222 -2.083 -4.235 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -0.227 -1.720 -3.976 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.169 -0.750 -5.091 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.104 -3.051 -2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.730 -4.311 -3.355 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -0.991 -3.935 -3.337 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.851 0.420 -2.965 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.573 0.055 -3.225 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.616 -0.929 -2.093 1.00 0.00 H new ATOM 646 N LYS A 43 -4.189 -4.019 -6.369 1.00 0.00 N ATOM 647 CA LYS A 43 -5.175 -5.063 -6.576 1.00 0.00 C ATOM 648 C LYS A 43 -4.866 -5.783 -7.873 1.00 0.00 C ATOM 649 O LYS A 43 -5.153 -6.970 -8.026 1.00 0.00 O ATOM 650 CB LYS A 43 -6.589 -4.477 -6.621 1.00 0.00 C ATOM 651 CG LYS A 43 -7.674 -5.521 -6.833 1.00 0.00 C ATOM 652 CD LYS A 43 -9.057 -4.888 -6.852 1.00 0.00 C ATOM 653 CE LYS A 43 -10.143 -5.931 -7.060 1.00 0.00 C ATOM 654 NZ LYS A 43 -9.973 -6.662 -8.348 1.00 0.00 N ATOM 0 H LYS A 43 -4.497 -3.086 -6.644 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.130 -5.766 -5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.784 -3.947 -5.689 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.643 -3.741 -7.423 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.499 -6.044 -7.773 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.624 -6.266 -6.039 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.231 -4.362 -5.913 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.107 -4.145 -7.648 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.126 -6.642 -6.234 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -11.119 -5.447 -7.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.838 -7.200 -8.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.794 -5.981 -9.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.168 -7.316 -8.272 1.00 0.00 H new ATOM 668 N LYS A 44 -4.257 -5.056 -8.801 1.00 0.00 N ATOM 669 CA LYS A 44 -3.885 -5.632 -10.078 1.00 0.00 C ATOM 670 C LYS A 44 -2.504 -6.262 -9.973 1.00 0.00 C ATOM 671 O LYS A 44 -2.211 -7.256 -10.638 1.00 0.00 O ATOM 672 CB LYS A 44 -3.919 -4.561 -11.177 1.00 0.00 C ATOM 673 CG LYS A 44 -3.650 -5.088 -12.580 1.00 0.00 C ATOM 674 CD LYS A 44 -2.160 -5.202 -12.884 1.00 0.00 C ATOM 675 CE LYS A 44 -1.471 -3.846 -12.830 1.00 0.00 C ATOM 676 NZ LYS A 44 -0.031 -3.945 -13.197 1.00 0.00 N ATOM 0 H LYS A 44 -4.013 -4.072 -8.690 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.602 -6.408 -10.345 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -4.896 -4.077 -11.165 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -3.181 -3.794 -10.943 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -4.117 -6.067 -12.693 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -4.117 -4.426 -13.309 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.693 -5.877 -12.167 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -2.022 -5.641 -13.872 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.973 -3.156 -13.508 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.563 -3.431 -11.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 0.334 -2.999 -13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 0.505 -4.335 -12.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.075 -4.570 -14.022 1.00 0.00 H new ATOM 690 N GLU A 45 -1.664 -5.695 -9.110 1.00 0.00 N ATOM 691 CA GLU A 45 -0.319 -6.227 -8.910 1.00 0.00 C ATOM 692 C GLU A 45 -0.355 -7.493 -8.067 1.00 0.00 C ATOM 693 O GLU A 45 0.512 -8.356 -8.204 1.00 0.00 O ATOM 694 CB GLU A 45 0.596 -5.189 -8.257 1.00 0.00 C ATOM 695 CG GLU A 45 1.125 -4.144 -9.227 1.00 0.00 C ATOM 696 CD GLU A 45 2.065 -4.732 -10.260 1.00 0.00 C ATOM 697 OE1 GLU A 45 3.105 -5.298 -9.862 1.00 0.00 O ATOM 698 OE2 GLU A 45 1.762 -4.628 -11.467 1.00 0.00 O ATOM 0 H GLU A 45 -1.888 -4.876 -8.544 1.00 0.00 H new ATOM 0 HA GLU A 45 0.085 -6.472 -9.892 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.050 -4.687 -7.458 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.439 -5.701 -7.793 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.287 -3.666 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.645 -3.366 -8.669 1.00 0.00 H new ATOM 705 N PHE A 46 -1.351 -7.607 -7.195 1.00 0.00 N ATOM 706 CA PHE A 46 -1.468 -8.785 -6.345 1.00 0.00 C ATOM 707 C PHE A 46 -2.304 -9.876 -7.008 1.00 0.00 C ATOM 708 O PHE A 46 -1.947 -11.053 -6.960 1.00 0.00 O ATOM 709 CB PHE A 46 -2.053 -8.411 -4.985 1.00 0.00 C ATOM 710 CG PHE A 46 -1.076 -7.710 -4.084 1.00 0.00 C ATOM 711 CD1 PHE A 46 -0.407 -6.573 -4.507 1.00 0.00 C ATOM 712 CD2 PHE A 46 -0.829 -8.191 -2.807 1.00 0.00 C ATOM 713 CE1 PHE A 46 0.490 -5.930 -3.675 1.00 0.00 C ATOM 714 CE2 PHE A 46 0.068 -7.553 -1.972 1.00 0.00 C ATOM 715 CZ PHE A 46 0.729 -6.421 -2.406 1.00 0.00 C ATOM 0 H PHE A 46 -2.080 -6.907 -7.059 1.00 0.00 H new ATOM 0 HA PHE A 46 -0.465 -9.184 -6.195 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.921 -7.769 -5.136 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.407 -9.315 -4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.588 -6.185 -5.498 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.344 -9.075 -2.461 1.00 0.00 H new ATOM 0 HE1 PHE A 46 1.004 -5.044 -4.017 1.00 0.00 H new ATOM 0 HE2 PHE A 46 0.252 -7.939 -0.980 1.00 0.00 H new ATOM 0 HZ PHE A 46 1.431 -5.921 -1.755 1.00 0.00 H new ATOM 725 N ASP A 47 -3.413 -9.492 -7.627 1.00 0.00 N ATOM 726 CA ASP A 47 -4.282 -10.457 -8.292 1.00 0.00 C ATOM 727 C ASP A 47 -3.609 -11.073 -9.514 1.00 0.00 C ATOM 728 O ASP A 47 -3.696 -12.280 -9.738 1.00 0.00 O ATOM 729 CB ASP A 47 -5.591 -9.796 -8.716 1.00 0.00 C ATOM 730 CG ASP A 47 -6.509 -9.513 -7.547 1.00 0.00 C ATOM 731 OD1 ASP A 47 -6.091 -8.783 -6.624 1.00 0.00 O ATOM 732 OD2 ASP A 47 -7.648 -10.022 -7.559 1.00 0.00 O ATOM 0 H ASP A 47 -3.732 -8.525 -7.683 1.00 0.00 H new ATOM 0 HA ASP A 47 -4.488 -11.251 -7.575 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -5.371 -8.862 -9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -6.105 -10.442 -9.428 1.00 0.00 H new ATOM 737 N LYS A 48 -2.953 -10.237 -10.311 1.00 0.00 N ATOM 738 CA LYS A 48 -2.283 -10.704 -11.521 1.00 0.00 C ATOM 739 C LYS A 48 -0.845 -11.135 -11.245 1.00 0.00 C ATOM 740 O LYS A 48 0.000 -11.109 -12.139 1.00 0.00 O ATOM 741 CB LYS A 48 -2.300 -9.617 -12.597 1.00 0.00 C ATOM 742 CG LYS A 48 -3.700 -9.189 -13.007 1.00 0.00 C ATOM 743 CD LYS A 48 -3.663 -8.171 -14.133 1.00 0.00 C ATOM 744 CE LYS A 48 -5.061 -7.720 -14.526 1.00 0.00 C ATOM 745 NZ LYS A 48 -5.899 -8.859 -14.994 1.00 0.00 N ATOM 0 H LYS A 48 -2.870 -9.234 -10.142 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.833 -11.575 -11.878 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.755 -8.747 -12.231 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.768 -9.979 -13.476 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.271 -10.062 -13.323 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.218 -8.764 -12.147 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.075 -7.307 -13.824 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.163 -8.604 -14.999 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.542 -7.242 -13.673 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.993 -6.971 -15.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.756 -8.493 -15.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -5.358 -9.432 -15.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.169 -9.449 -14.181 1.00 0.00 H new ATOM 759 N LYS A 49 -0.570 -11.540 -10.010 1.00 0.00 N ATOM 760 CA LYS A 49 0.766 -11.983 -9.636 1.00 0.00 C ATOM 761 C LYS A 49 0.749 -12.637 -8.259 1.00 0.00 C ATOM 762 O LYS A 49 1.725 -12.567 -7.514 1.00 0.00 O ATOM 763 CB LYS A 49 1.742 -10.804 -9.652 1.00 0.00 C ATOM 764 CG LYS A 49 3.204 -11.211 -9.530 1.00 0.00 C ATOM 765 CD LYS A 49 3.621 -12.132 -10.664 1.00 0.00 C ATOM 766 CE LYS A 49 5.087 -12.521 -10.555 1.00 0.00 C ATOM 767 NZ LYS A 49 5.507 -13.421 -11.664 1.00 0.00 N ATOM 0 H LYS A 49 -1.253 -11.570 -9.253 1.00 0.00 H new ATOM 0 HA LYS A 49 1.099 -12.722 -10.364 1.00 0.00 H new ATOM 0 HB2 LYS A 49 1.607 -10.246 -10.578 1.00 0.00 H new ATOM 0 HB3 LYS A 49 1.494 -10.128 -8.833 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.832 -10.320 -9.533 1.00 0.00 H new ATOM 0 HG3 LYS A 49 3.365 -11.711 -8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 49 3.003 -13.030 -10.651 1.00 0.00 H new ATOM 0 HD3 LYS A 49 3.445 -11.638 -11.619 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.703 -11.622 -10.564 1.00 0.00 H new ATOM 0 HE3 LYS A 49 5.261 -13.016 -9.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.512 -13.663 -11.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.937 -14.291 -11.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 5.365 -12.939 -12.575 1.00 0.00 H new ATOM 781 N TYR A 50 -0.367 -13.280 -7.927 1.00 0.00 N ATOM 782 CA TYR A 50 -0.500 -13.952 -6.642 1.00 0.00 C ATOM 783 C TYR A 50 -1.767 -14.799 -6.604 1.00 0.00 C ATOM 784 O TYR A 50 -1.705 -15.981 -6.280 1.00 0.00 O ATOM 785 CB TYR A 50 -0.496 -12.934 -5.501 1.00 0.00 C ATOM 786 CG TYR A 50 -0.143 -13.537 -4.162 1.00 0.00 C ATOM 787 CD1 TYR A 50 1.039 -14.246 -3.990 1.00 0.00 C ATOM 788 CD2 TYR A 50 -0.985 -13.393 -3.073 1.00 0.00 C ATOM 789 CE1 TYR A 50 1.369 -14.797 -2.767 1.00 0.00 C ATOM 790 CE2 TYR A 50 -0.663 -13.941 -1.844 1.00 0.00 C ATOM 791 CZ TYR A 50 0.514 -14.643 -1.698 1.00 0.00 C ATOM 792 OH TYR A 50 0.838 -15.190 -0.477 1.00 0.00 O ATOM 0 H TYR A 50 -1.188 -13.349 -8.528 1.00 0.00 H new ATOM 0 HA TYR A 50 0.355 -14.615 -6.513 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.215 -12.141 -5.733 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.480 -12.470 -5.434 1.00 0.00 H new ATOM 0 HD1 TYR A 50 1.711 -14.369 -4.826 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -1.908 -12.844 -3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.292 -15.345 -2.650 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.330 -13.819 -1.004 1.00 0.00 H new ATOM 0 HH TYR A 50 0.130 -14.989 0.170 1.00 0.00 H new ATOM 802 N ASN A 51 -2.902 -14.178 -6.949 1.00 0.00 N ATOM 803 CA ASN A 51 -4.217 -14.842 -6.983 1.00 0.00 C ATOM 804 C ASN A 51 -5.306 -13.896 -6.490 1.00 0.00 C ATOM 805 O ASN A 51 -5.122 -13.188 -5.501 1.00 0.00 O ATOM 806 CB ASN A 51 -4.254 -16.136 -6.152 1.00 0.00 C ATOM 807 CG ASN A 51 -3.709 -17.357 -6.890 1.00 0.00 C ATOM 808 OD1 ASN A 51 -3.112 -17.152 -8.065 1.00 0.00 O flip ATOM 809 ND2 ASN A 51 -3.809 -18.480 -6.394 1.00 0.00 N flip ATOM 0 H ASN A 51 -2.937 -13.194 -7.215 1.00 0.00 H new ATOM 0 HA ASN A 51 -4.398 -15.112 -8.023 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.677 -15.987 -5.239 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -5.283 -16.334 -5.851 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -4.272 -18.600 -5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -3.429 -19.290 -6.884 1.00 0.00 H new ATOM 816 N PRO A 52 -6.460 -13.868 -7.178 1.00 0.00 N ATOM 817 CA PRO A 52 -7.574 -13.000 -6.799 1.00 0.00 C ATOM 818 C PRO A 52 -8.320 -13.527 -5.569 1.00 0.00 C ATOM 819 O PRO A 52 -8.462 -14.737 -5.402 1.00 0.00 O ATOM 820 CB PRO A 52 -8.477 -13.033 -8.030 1.00 0.00 C ATOM 821 CG PRO A 52 -8.217 -14.361 -8.650 1.00 0.00 C ATOM 822 CD PRO A 52 -6.772 -14.676 -8.375 1.00 0.00 C ATOM 0 HA PRO A 52 -7.244 -11.998 -6.525 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.526 -12.922 -7.755 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.240 -12.221 -8.718 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -8.870 -15.124 -8.225 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.413 -14.335 -9.722 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -6.622 -15.740 -8.190 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -6.136 -14.406 -9.218 1.00 0.00 H new ATOM 830 N THR A 53 -8.803 -12.623 -4.707 1.00 0.00 N ATOM 831 CA THR A 53 -8.635 -11.191 -4.901 1.00 0.00 C ATOM 832 C THR A 53 -8.238 -10.528 -3.602 1.00 0.00 C ATOM 833 O THR A 53 -8.515 -11.036 -2.518 1.00 0.00 O ATOM 834 CB THR A 53 -9.911 -10.555 -5.440 1.00 0.00 C ATOM 835 OG1 THR A 53 -10.475 -11.348 -6.469 1.00 0.00 O ATOM 836 CG2 THR A 53 -9.676 -9.174 -6.008 1.00 0.00 C ATOM 0 H THR A 53 -9.318 -12.870 -3.862 1.00 0.00 H new ATOM 0 HA THR A 53 -7.843 -11.044 -5.635 1.00 0.00 H new ATOM 0 HB THR A 53 -10.587 -10.483 -4.588 1.00 0.00 H new ATOM 0 HG1 THR A 53 -11.293 -10.922 -6.799 1.00 0.00 H new ATOM 0 HG21 THR A 53 -10.617 -8.768 -6.378 1.00 0.00 H new ATOM 0 HG22 THR A 53 -9.281 -8.522 -5.229 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.960 -9.235 -6.828 1.00 0.00 H new ATOM 844 N TRP A 54 -7.570 -9.401 -3.719 1.00 0.00 N ATOM 845 CA TRP A 54 -7.109 -8.676 -2.553 1.00 0.00 C ATOM 846 C TRP A 54 -7.829 -7.352 -2.393 1.00 0.00 C ATOM 847 O TRP A 54 -7.918 -6.554 -3.327 1.00 0.00 O ATOM 848 CB TRP A 54 -5.603 -8.480 -2.641 1.00 0.00 C ATOM 849 CG TRP A 54 -4.903 -9.789 -2.777 1.00 0.00 C ATOM 850 CD1 TRP A 54 -4.448 -10.375 -3.923 1.00 0.00 C ATOM 851 CD2 TRP A 54 -4.651 -10.712 -1.723 1.00 0.00 C ATOM 852 NE1 TRP A 54 -3.889 -11.598 -3.636 1.00 0.00 N ATOM 853 CE2 TRP A 54 -4.008 -11.829 -2.284 1.00 0.00 C ATOM 854 CE3 TRP A 54 -4.900 -10.688 -0.350 1.00 0.00 C ATOM 855 CZ2 TRP A 54 -3.612 -12.920 -1.512 1.00 0.00 C ATOM 856 CZ3 TRP A 54 -4.509 -11.766 0.414 1.00 0.00 C ATOM 857 CH2 TRP A 54 -3.871 -12.871 -0.166 1.00 0.00 C ATOM 0 H TRP A 54 -7.333 -8.966 -4.611 1.00 0.00 H new ATOM 0 HA TRP A 54 -7.340 -9.264 -1.665 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.364 -7.845 -3.494 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.247 -7.964 -1.750 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.517 -9.942 -4.910 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -3.458 -12.229 -4.312 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -5.390 -9.840 0.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.120 -13.772 -1.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -4.697 -11.759 1.477 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.577 -13.701 0.460 1.00 0.00 H new ATOM 868 N HIS A 55 -8.351 -7.132 -1.193 1.00 0.00 N ATOM 869 CA HIS A 55 -9.079 -5.911 -0.888 1.00 0.00 C ATOM 870 C HIS A 55 -8.134 -4.801 -0.443 1.00 0.00 C ATOM 871 O HIS A 55 -8.379 -4.130 0.557 1.00 0.00 O ATOM 872 CB HIS A 55 -10.122 -6.175 0.198 1.00 0.00 C ATOM 873 CG HIS A 55 -11.151 -7.189 -0.195 1.00 0.00 C ATOM 874 ND1 HIS A 55 -10.836 -8.486 -0.543 1.00 0.00 N ATOM 875 CD2 HIS A 55 -12.497 -7.090 -0.298 1.00 0.00 C ATOM 876 CE1 HIS A 55 -11.944 -9.140 -0.844 1.00 0.00 C ATOM 877 NE2 HIS A 55 -12.964 -8.316 -0.702 1.00 0.00 N ATOM 0 H HIS A 55 -8.282 -7.787 -0.414 1.00 0.00 H new ATOM 0 HA HIS A 55 -9.582 -5.585 -1.798 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -9.616 -6.514 1.102 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -10.622 -5.239 0.445 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -13.092 -6.211 -0.099 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -12.004 -10.173 -1.153 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -13.943 -8.552 -0.866 1.00 0.00 H new ATOM 886 N CYS A 56 -7.056 -4.608 -1.194 1.00 0.00 N ATOM 887 CA CYS A 56 -6.085 -3.572 -0.877 1.00 0.00 C ATOM 888 C CYS A 56 -6.726 -2.196 -0.991 1.00 0.00 C ATOM 889 O CYS A 56 -7.268 -1.839 -2.037 1.00 0.00 O ATOM 890 CB CYS A 56 -4.878 -3.670 -1.809 1.00 0.00 C ATOM 891 SG CYS A 56 -5.293 -3.545 -3.563 1.00 0.00 S ATOM 0 H CYS A 56 -6.834 -5.156 -2.025 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.746 -3.717 0.149 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.171 -2.880 -1.556 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.372 -4.619 -1.633 1.00 0.00 H new ATOM 0 HG CYS A 56 -6.372 -2.834 -3.704 1.00 0.00 H new ATOM 897 N ILE A 57 -6.673 -1.427 0.091 1.00 0.00 N ATOM 898 CA ILE A 57 -7.260 -0.098 0.102 1.00 0.00 C ATOM 899 C ILE A 57 -6.283 0.931 0.640 1.00 0.00 C ATOM 900 O ILE A 57 -5.321 0.593 1.328 1.00 0.00 O ATOM 901 CB ILE A 57 -8.541 -0.055 0.955 1.00 0.00 C ATOM 902 CG1 ILE A 57 -9.437 -1.244 0.605 1.00 0.00 C ATOM 903 CG2 ILE A 57 -9.274 1.264 0.744 1.00 0.00 C ATOM 904 CD1 ILE A 57 -10.839 -1.144 1.164 1.00 0.00 C ATOM 0 H ILE A 57 -6.230 -1.703 0.968 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.508 0.142 -0.932 1.00 0.00 H new ATOM 0 HB ILE A 57 -8.272 -0.124 2.009 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -9.495 -1.335 -0.480 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -8.973 -2.157 0.977 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -10.178 1.280 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.626 2.091 1.034 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -9.544 1.366 -0.307 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -11.411 -2.025 0.872 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -10.794 -1.085 2.251 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.324 -0.250 0.772 1.00 0.00 H new ATOM 916 N VAL A 58 -6.542 2.189 0.322 1.00 0.00 N ATOM 917 CA VAL A 58 -5.696 3.280 0.773 1.00 0.00 C ATOM 918 C VAL A 58 -6.556 4.491 1.133 1.00 0.00 C ATOM 919 O VAL A 58 -7.495 4.819 0.406 1.00 0.00 O ATOM 920 CB VAL A 58 -4.693 3.696 -0.324 1.00 0.00 C ATOM 921 CG1 VAL A 58 -3.662 4.665 0.233 1.00 0.00 C ATOM 922 CG2 VAL A 58 -4.023 2.478 -0.946 1.00 0.00 C ATOM 0 H VAL A 58 -7.335 2.480 -0.249 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.145 2.934 1.647 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.246 4.206 -1.113 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.964 4.946 -0.555 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.165 5.556 0.607 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -3.117 4.188 1.047 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.322 2.802 -1.715 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.486 1.925 -0.175 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.781 1.835 -1.393 1.00 0.00 H new ATOM 932 N GLY A 59 -6.250 5.159 2.244 1.00 0.00 N ATOM 933 CA GLY A 59 -7.044 6.319 2.624 1.00 0.00 C ATOM 934 C GLY A 59 -6.621 6.950 3.937 1.00 0.00 C ATOM 935 O GLY A 59 -6.067 6.287 4.809 1.00 0.00 O ATOM 0 H GLY A 59 -5.484 4.926 2.876 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -6.977 7.067 1.834 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -8.091 6.023 2.695 1.00 0.00 H new ATOM 939 N ARG A 60 -6.906 8.242 4.074 1.00 0.00 N ATOM 940 CA ARG A 60 -6.574 8.988 5.280 1.00 0.00 C ATOM 941 C ARG A 60 -7.622 8.752 6.359 1.00 0.00 C ATOM 942 O ARG A 60 -8.296 9.679 6.808 1.00 0.00 O ATOM 943 CB ARG A 60 -6.477 10.481 4.968 1.00 0.00 C ATOM 944 CG ARG A 60 -5.415 10.820 3.934 1.00 0.00 C ATOM 945 CD ARG A 60 -5.354 12.315 3.667 1.00 0.00 C ATOM 946 NE ARG A 60 -4.343 12.655 2.668 1.00 0.00 N ATOM 947 CZ ARG A 60 -4.413 12.299 1.388 1.00 0.00 C ATOM 948 NH1 ARG A 60 -5.466 11.632 0.933 1.00 0.00 N ATOM 949 NH2 ARG A 60 -3.433 12.623 0.554 1.00 0.00 N ATOM 0 H ARG A 60 -7.371 8.797 3.356 1.00 0.00 H new ATOM 0 HA ARG A 60 -5.609 8.638 5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.445 10.832 4.611 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -6.261 11.023 5.889 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.443 10.472 4.282 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.629 10.292 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.330 12.662 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.135 12.840 4.597 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.534 13.198 2.970 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -6.228 11.389 1.566 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -5.513 11.362 -0.050 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.626 13.145 0.894 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.487 12.350 -0.427 1.00 0.00 H new ATOM 963 N SER A 61 -7.753 7.499 6.764 1.00 0.00 N ATOM 964 CA SER A 61 -8.721 7.117 7.788 1.00 0.00 C ATOM 965 C SER A 61 -10.136 7.521 7.371 1.00 0.00 C ATOM 966 O SER A 61 -10.885 8.099 8.158 1.00 0.00 O ATOM 967 CB SER A 61 -8.361 7.766 9.126 1.00 0.00 C ATOM 968 OG SER A 61 -9.292 7.406 10.133 1.00 0.00 O ATOM 0 H SER A 61 -7.200 6.724 6.399 1.00 0.00 H new ATOM 0 HA SER A 61 -8.690 6.033 7.902 1.00 0.00 H new ATOM 0 HB2 SER A 61 -7.359 7.458 9.425 1.00 0.00 H new ATOM 0 HB3 SER A 61 -8.342 8.850 9.015 1.00 0.00 H new ATOM 0 HG SER A 61 -10.203 7.554 9.804 1.00 0.00 H new ATOM 974 N GLY A 62 -10.486 7.220 6.125 1.00 0.00 N ATOM 975 CA GLY A 62 -11.799 7.563 5.613 1.00 0.00 C ATOM 976 C GLY A 62 -12.908 6.703 6.182 1.00 0.00 C ATOM 977 O GLY A 62 -13.736 7.179 6.961 1.00 0.00 O ATOM 0 H GLY A 62 -9.880 6.742 5.458 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -12.008 8.609 5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -11.794 7.466 4.527 1.00 0.00 H new ATOM 981 N ASN A 63 -12.934 5.438 5.785 1.00 0.00 N ATOM 982 CA ASN A 63 -13.963 4.513 6.254 1.00 0.00 C ATOM 983 C ASN A 63 -13.574 3.061 5.994 1.00 0.00 C ATOM 984 O ASN A 63 -14.268 2.336 5.279 1.00 0.00 O ATOM 985 CB ASN A 63 -15.309 4.830 5.589 1.00 0.00 C ATOM 986 CG ASN A 63 -15.297 4.727 4.065 1.00 0.00 C ATOM 987 OD1 ASN A 63 -14.163 4.354 3.470 1.00 0.00 O flip ATOM 988 ND2 ASN A 63 -16.315 4.982 3.421 1.00 0.00 N flip ATOM 0 H ASN A 63 -12.258 5.027 5.141 1.00 0.00 H new ATOM 0 HA ASN A 63 -14.059 4.644 7.332 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -16.064 4.149 5.982 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -15.612 5.838 5.871 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -17.167 5.265 3.905 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.306 4.910 2.404 1.00 0.00 H new ATOM 995 N PHE A 64 -12.461 2.645 6.582 1.00 0.00 N ATOM 996 CA PHE A 64 -11.969 1.277 6.423 1.00 0.00 C ATOM 997 C PHE A 64 -12.820 0.266 7.196 1.00 0.00 C ATOM 998 O PHE A 64 -12.496 -0.920 7.231 1.00 0.00 O ATOM 999 CB PHE A 64 -10.513 1.174 6.884 1.00 0.00 C ATOM 1000 CG PHE A 64 -9.584 2.105 6.158 1.00 0.00 C ATOM 1001 CD1 PHE A 64 -9.548 3.456 6.468 1.00 0.00 C ATOM 1002 CD2 PHE A 64 -8.755 1.630 5.156 1.00 0.00 C ATOM 1003 CE1 PHE A 64 -8.698 4.311 5.793 1.00 0.00 C ATOM 1004 CE2 PHE A 64 -7.905 2.479 4.479 1.00 0.00 C ATOM 1005 CZ PHE A 64 -7.877 3.822 4.799 1.00 0.00 C ATOM 0 H PHE A 64 -11.878 3.235 7.176 1.00 0.00 H new ATOM 0 HA PHE A 64 -12.037 1.036 5.362 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -10.463 1.385 7.952 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -10.168 0.149 6.745 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -10.191 3.844 7.245 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.774 0.581 4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -8.677 5.361 6.044 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -7.263 2.095 3.700 1.00 0.00 H new ATOM 0 HZ PHE A 64 -7.212 4.489 4.271 1.00 0.00 H new ATOM 1015 N GLY A 65 -13.901 0.732 7.818 1.00 0.00 N ATOM 1016 CA GLY A 65 -14.755 -0.165 8.575 1.00 0.00 C ATOM 1017 C GLY A 65 -14.045 -0.767 9.774 1.00 0.00 C ATOM 1018 O GLY A 65 -14.541 -1.708 10.391 1.00 0.00 O ATOM 0 H GLY A 65 -14.198 1.708 7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.637 0.378 8.914 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -15.104 -0.966 7.923 1.00 0.00 H new ATOM 1022 N SER A 66 -12.879 -0.217 10.103 1.00 0.00 N ATOM 1023 CA SER A 66 -12.088 -0.691 11.230 1.00 0.00 C ATOM 1024 C SER A 66 -11.862 -2.197 11.164 1.00 0.00 C ATOM 1025 O SER A 66 -12.156 -2.914 12.118 1.00 0.00 O ATOM 1026 CB SER A 66 -12.761 -0.313 12.552 1.00 0.00 C ATOM 1027 OG SER A 66 -14.052 -0.888 12.653 1.00 0.00 O ATOM 0 H SER A 66 -12.460 0.564 9.598 1.00 0.00 H new ATOM 0 HA SER A 66 -11.113 -0.206 11.176 1.00 0.00 H new ATOM 0 HB2 SER A 66 -12.144 -0.649 13.386 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.836 0.772 12.628 1.00 0.00 H new ATOM 0 HG SER A 66 -14.131 -1.629 12.017 1.00 0.00 H new ATOM 1033 N TYR A 67 -11.326 -2.654 10.028 1.00 0.00 N ATOM 1034 CA TYR A 67 -11.026 -4.074 9.796 1.00 0.00 C ATOM 1035 C TYR A 67 -12.104 -4.737 8.951 1.00 0.00 C ATOM 1036 O TYR A 67 -12.784 -5.659 9.401 1.00 0.00 O ATOM 1037 CB TYR A 67 -10.847 -4.858 11.106 1.00 0.00 C ATOM 1038 CG TYR A 67 -9.749 -4.331 12.012 1.00 0.00 C ATOM 1039 CD1 TYR A 67 -8.947 -3.257 11.634 1.00 0.00 C ATOM 1040 CD2 TYR A 67 -9.514 -4.918 13.248 1.00 0.00 C ATOM 1041 CE1 TYR A 67 -7.947 -2.788 12.465 1.00 0.00 C ATOM 1042 CE2 TYR A 67 -8.517 -4.453 14.083 1.00 0.00 C ATOM 1043 CZ TYR A 67 -7.737 -3.390 13.687 1.00 0.00 C ATOM 1044 OH TYR A 67 -6.742 -2.925 14.516 1.00 0.00 O ATOM 0 H TYR A 67 -11.087 -2.051 9.241 1.00 0.00 H new ATOM 0 HA TYR A 67 -10.080 -4.098 9.255 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -11.789 -4.845 11.654 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -10.633 -5.899 10.865 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -9.109 -2.783 10.677 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -10.122 -5.754 13.562 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -7.333 -1.954 12.158 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -8.350 -4.921 15.042 1.00 0.00 H new ATOM 0 HH TYR A 67 -6.726 -3.457 15.339 1.00 0.00 H new ATOM 1054 N VAL A 68 -12.244 -4.273 7.715 1.00 0.00 N ATOM 1055 CA VAL A 68 -13.227 -4.837 6.792 1.00 0.00 C ATOM 1056 C VAL A 68 -13.146 -6.368 6.770 1.00 0.00 C ATOM 1057 O VAL A 68 -14.124 -7.046 6.454 1.00 0.00 O ATOM 1058 CB VAL A 68 -13.024 -4.290 5.366 1.00 0.00 C ATOM 1059 CG1 VAL A 68 -14.010 -4.926 4.395 1.00 0.00 C ATOM 1060 CG2 VAL A 68 -13.159 -2.775 5.352 1.00 0.00 C ATOM 0 H VAL A 68 -11.691 -3.509 7.327 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.214 -4.540 7.147 1.00 0.00 H new ATOM 0 HB VAL A 68 -12.016 -4.549 5.042 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -13.847 -4.524 3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -13.861 -6.006 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.029 -4.704 4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -13.013 -2.406 4.337 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.153 -2.495 5.700 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.408 -2.337 6.009 1.00 0.00 H new ATOM 1070 N THR A 69 -11.974 -6.901 7.124 1.00 0.00 N ATOM 1071 CA THR A 69 -11.745 -8.346 7.171 1.00 0.00 C ATOM 1072 C THR A 69 -12.915 -9.062 7.820 1.00 0.00 C ATOM 1073 O THR A 69 -13.423 -10.050 7.291 1.00 0.00 O ATOM 1074 CB THR A 69 -10.456 -8.629 7.950 1.00 0.00 C ATOM 1075 OG1 THR A 69 -9.352 -7.994 7.334 1.00 0.00 O ATOM 1076 CG2 THR A 69 -10.129 -10.101 8.067 1.00 0.00 C ATOM 0 H THR A 69 -11.160 -6.345 7.385 1.00 0.00 H new ATOM 0 HA THR A 69 -11.648 -8.719 6.151 1.00 0.00 H new ATOM 0 HB THR A 69 -10.636 -8.236 8.951 1.00 0.00 H new ATOM 0 HG1 THR A 69 -8.623 -7.903 7.983 1.00 0.00 H new ATOM 0 HG21 THR A 69 -9.204 -10.225 8.630 1.00 0.00 H new ATOM 0 HG22 THR A 69 -10.940 -10.614 8.584 1.00 0.00 H new ATOM 0 HG23 THR A 69 -10.007 -10.527 7.071 1.00 0.00 H new ATOM 1084 N HIS A 70 -13.325 -8.560 8.973 1.00 0.00 N ATOM 1085 CA HIS A 70 -14.432 -9.144 9.725 1.00 0.00 C ATOM 1086 C HIS A 70 -14.006 -10.452 10.379 1.00 0.00 C ATOM 1087 O HIS A 70 -14.550 -10.832 11.414 1.00 0.00 O ATOM 1088 CB HIS A 70 -15.651 -9.376 8.825 1.00 0.00 C ATOM 1089 CG HIS A 70 -16.840 -9.919 9.557 1.00 0.00 C ATOM 1090 ND1 HIS A 70 -17.450 -9.256 10.600 1.00 0.00 N ATOM 1091 CD2 HIS A 70 -17.531 -11.072 9.391 1.00 0.00 C ATOM 1092 CE1 HIS A 70 -18.464 -9.975 11.044 1.00 0.00 C ATOM 1093 NE2 HIS A 70 -18.535 -11.081 10.327 1.00 0.00 N ATOM 0 H HIS A 70 -12.906 -7.742 9.415 1.00 0.00 H new ATOM 0 HA HIS A 70 -14.713 -8.437 10.505 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -15.926 -8.435 8.349 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -15.378 -10.068 8.028 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -17.330 -11.840 8.659 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -19.123 -9.704 11.856 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -19.225 -11.823 10.449 1.00 0.00 H new ATOM 1102 N GLU A 71 -13.017 -11.109 9.762 1.00 0.00 N ATOM 1103 CA GLU A 71 -12.453 -12.380 10.242 1.00 0.00 C ATOM 1104 C GLU A 71 -12.347 -13.389 9.106 1.00 0.00 C ATOM 1105 O GLU A 71 -12.371 -14.598 9.341 1.00 0.00 O ATOM 1106 CB GLU A 71 -13.266 -13.003 11.386 1.00 0.00 C ATOM 1107 CG GLU A 71 -14.653 -13.477 10.970 1.00 0.00 C ATOM 1108 CD GLU A 71 -15.459 -14.023 12.133 1.00 0.00 C ATOM 1109 OE1 GLU A 71 -14.938 -14.029 13.267 1.00 0.00 O ATOM 1110 OE2 GLU A 71 -16.614 -14.442 11.907 1.00 0.00 O ATOM 0 H GLU A 71 -12.579 -10.771 8.905 1.00 0.00 H new ATOM 0 HA GLU A 71 -11.462 -12.140 10.627 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -12.711 -13.848 11.795 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -13.368 -12.271 12.187 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -15.195 -12.647 10.516 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -14.555 -14.249 10.207 1.00 0.00 H new ATOM 1117 N THR A 72 -12.221 -12.902 7.873 1.00 0.00 N ATOM 1118 CA THR A 72 -12.105 -13.797 6.724 1.00 0.00 C ATOM 1119 C THR A 72 -10.997 -14.835 6.951 1.00 0.00 C ATOM 1120 O THR A 72 -11.243 -15.889 7.537 1.00 0.00 O ATOM 1121 CB THR A 72 -11.869 -12.994 5.438 1.00 0.00 C ATOM 1122 OG1 THR A 72 -11.376 -13.831 4.407 1.00 0.00 O ATOM 1123 CG2 THR A 72 -10.903 -11.838 5.606 1.00 0.00 C ATOM 0 H THR A 72 -12.197 -11.908 7.646 1.00 0.00 H new ATOM 0 HA THR A 72 -13.044 -14.339 6.611 1.00 0.00 H new ATOM 0 HB THR A 72 -12.844 -12.582 5.179 1.00 0.00 H new ATOM 0 HG1 THR A 72 -10.494 -13.513 4.121 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.788 -11.319 4.654 1.00 0.00 H new ATOM 0 HG22 THR A 72 -11.291 -11.145 6.353 1.00 0.00 H new ATOM 0 HG23 THR A 72 -9.935 -12.218 5.932 1.00 0.00 H new ATOM 1131 N LYS A 73 -9.784 -14.537 6.497 1.00 0.00 N ATOM 1132 CA LYS A 73 -8.658 -15.445 6.663 1.00 0.00 C ATOM 1133 C LYS A 73 -7.468 -14.709 7.271 1.00 0.00 C ATOM 1134 O LYS A 73 -7.108 -14.923 8.428 1.00 0.00 O ATOM 1135 CB LYS A 73 -8.273 -16.044 5.314 1.00 0.00 C ATOM 1136 CG LYS A 73 -9.415 -16.774 4.631 1.00 0.00 C ATOM 1137 CD LYS A 73 -9.122 -16.993 3.161 1.00 0.00 C ATOM 1138 CE LYS A 73 -10.246 -17.754 2.475 1.00 0.00 C ATOM 1139 NZ LYS A 73 -11.543 -17.027 2.560 1.00 0.00 N ATOM 0 H LYS A 73 -9.557 -13.670 6.010 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.950 -16.249 7.339 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -7.917 -15.248 4.660 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -7.442 -16.736 5.456 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.580 -17.735 5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.335 -16.199 4.740 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.981 -16.030 2.670 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -8.189 -17.546 3.054 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -9.989 -17.916 1.428 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.351 -18.738 2.933 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.226 -17.457 1.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.911 -17.086 3.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.399 -16.029 2.305 1.00 0.00 H new ATOM 1153 N HIS A 74 -6.881 -13.825 6.477 1.00 0.00 N ATOM 1154 CA HIS A 74 -5.745 -13.022 6.908 1.00 0.00 C ATOM 1155 C HIS A 74 -5.933 -11.584 6.442 1.00 0.00 C ATOM 1156 O HIS A 74 -6.851 -11.299 5.674 1.00 0.00 O ATOM 1157 CB HIS A 74 -4.436 -13.597 6.360 1.00 0.00 C ATOM 1158 CG HIS A 74 -4.405 -13.724 4.869 1.00 0.00 C ATOM 1159 ND1 HIS A 74 -3.341 -14.273 4.185 1.00 0.00 N ATOM 1160 CD2 HIS A 74 -5.314 -13.374 3.928 1.00 0.00 C ATOM 1161 CE1 HIS A 74 -3.596 -14.256 2.890 1.00 0.00 C ATOM 1162 NE2 HIS A 74 -4.787 -13.716 2.707 1.00 0.00 N ATOM 0 H HIS A 74 -7.178 -13.644 5.518 1.00 0.00 H new ATOM 0 HA HIS A 74 -5.690 -13.041 7.996 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -3.610 -12.960 6.678 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -4.269 -14.579 6.802 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -6.274 -12.912 4.105 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.942 -14.622 2.112 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -5.242 -13.576 1.805 1.00 0.00 H new ATOM 1171 N PHE A 75 -5.082 -10.674 6.905 1.00 0.00 N ATOM 1172 CA PHE A 75 -5.214 -9.276 6.509 1.00 0.00 C ATOM 1173 C PHE A 75 -4.080 -8.413 7.048 1.00 0.00 C ATOM 1174 O PHE A 75 -3.621 -8.596 8.176 1.00 0.00 O ATOM 1175 CB PHE A 75 -6.552 -8.719 7.003 1.00 0.00 C ATOM 1176 CG PHE A 75 -6.679 -8.697 8.501 1.00 0.00 C ATOM 1177 CD1 PHE A 75 -6.656 -9.875 9.231 1.00 0.00 C ATOM 1178 CD2 PHE A 75 -6.819 -7.496 9.179 1.00 0.00 C ATOM 1179 CE1 PHE A 75 -6.771 -9.855 10.609 1.00 0.00 C ATOM 1180 CE2 PHE A 75 -6.934 -7.471 10.556 1.00 0.00 C ATOM 1181 CZ PHE A 75 -6.911 -8.652 11.272 1.00 0.00 C ATOM 0 H PHE A 75 -4.310 -10.872 7.541 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.169 -9.244 5.420 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -6.677 -7.706 6.621 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.361 -9.319 6.587 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.547 -10.819 8.718 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.838 -6.569 8.625 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -6.751 -10.780 11.166 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.042 -6.528 11.072 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.002 -8.634 12.348 1.00 0.00 H new ATOM 1191 N ILE A 76 -3.657 -7.453 6.234 1.00 0.00 N ATOM 1192 CA ILE A 76 -2.597 -6.527 6.622 1.00 0.00 C ATOM 1193 C ILE A 76 -3.138 -5.109 6.697 1.00 0.00 C ATOM 1194 O ILE A 76 -4.167 -4.787 6.101 1.00 0.00 O ATOM 1195 CB ILE A 76 -1.405 -6.579 5.644 1.00 0.00 C ATOM 1196 CG1 ILE A 76 -0.362 -5.497 5.955 1.00 0.00 C ATOM 1197 CG2 ILE A 76 -1.885 -6.462 4.205 1.00 0.00 C ATOM 1198 CD1 ILE A 76 0.328 -5.682 7.290 1.00 0.00 C ATOM 0 H ILE A 76 -4.032 -7.294 5.299 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.239 -6.834 7.605 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.920 -7.547 5.774 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.389 -5.492 5.165 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.848 -4.521 5.939 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.029 -6.501 3.532 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -2.562 -7.286 3.979 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -2.409 -5.515 4.072 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.051 -4.880 7.440 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.413 -5.657 8.089 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.844 -6.642 7.303 1.00 0.00 H new ATOM 1210 N TYR A 77 -2.441 -4.272 7.442 1.00 0.00 N ATOM 1211 CA TYR A 77 -2.854 -2.882 7.612 1.00 0.00 C ATOM 1212 C TYR A 77 -1.719 -2.039 8.191 1.00 0.00 C ATOM 1213 O TYR A 77 -1.116 -2.402 9.200 1.00 0.00 O ATOM 1214 CB TYR A 77 -4.073 -2.819 8.536 1.00 0.00 C ATOM 1215 CG TYR A 77 -4.880 -1.546 8.413 1.00 0.00 C ATOM 1216 CD1 TYR A 77 -4.301 -0.299 8.617 1.00 0.00 C ATOM 1217 CD2 TYR A 77 -6.231 -1.595 8.094 1.00 0.00 C ATOM 1218 CE1 TYR A 77 -5.046 0.860 8.505 1.00 0.00 C ATOM 1219 CE2 TYR A 77 -6.983 -0.442 7.980 1.00 0.00 C ATOM 1220 CZ TYR A 77 -6.385 0.783 8.187 1.00 0.00 C ATOM 1221 OH TYR A 77 -7.132 1.934 8.075 1.00 0.00 O ATOM 0 H TYR A 77 -1.587 -4.524 7.940 1.00 0.00 H new ATOM 0 HA TYR A 77 -3.113 -2.476 6.634 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -4.721 -3.669 8.322 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -3.738 -2.925 9.568 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -3.252 -0.235 8.867 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.703 -2.553 7.932 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -4.581 1.821 8.666 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -8.032 -0.500 7.730 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.794 1.826 7.361 1.00 0.00 H new ATOM 1231 N PHE A 78 -1.442 -0.905 7.550 1.00 0.00 N ATOM 1232 CA PHE A 78 -0.388 -0.005 8.008 1.00 0.00 C ATOM 1233 C PHE A 78 -0.738 1.448 7.697 1.00 0.00 C ATOM 1234 O PHE A 78 -1.484 1.730 6.759 1.00 0.00 O ATOM 1235 CB PHE A 78 0.955 -0.373 7.371 1.00 0.00 C ATOM 1236 CG PHE A 78 0.937 -0.380 5.867 1.00 0.00 C ATOM 1237 CD1 PHE A 78 0.149 -1.284 5.175 1.00 0.00 C ATOM 1238 CD2 PHE A 78 1.711 0.517 5.149 1.00 0.00 C ATOM 1239 CE1 PHE A 78 0.134 -1.294 3.794 1.00 0.00 C ATOM 1240 CE2 PHE A 78 1.699 0.512 3.768 1.00 0.00 C ATOM 1241 CZ PHE A 78 0.909 -0.394 3.089 1.00 0.00 C ATOM 0 H PHE A 78 -1.932 -0.589 6.713 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.302 -0.115 9.089 1.00 0.00 H new ATOM 0 HB2 PHE A 78 1.713 0.333 7.712 1.00 0.00 H new ATOM 0 HB3 PHE A 78 1.255 -1.359 7.725 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.460 -1.989 5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.331 1.228 5.675 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -0.483 -2.005 3.266 1.00 0.00 H new ATOM 0 HE2 PHE A 78 2.307 1.216 3.220 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.897 -0.399 2.009 1.00 0.00 H new ATOM 1251 N TYR A 79 -0.200 2.366 8.496 1.00 0.00 N ATOM 1252 CA TYR A 79 -0.461 3.791 8.316 1.00 0.00 C ATOM 1253 C TYR A 79 0.792 4.536 7.868 1.00 0.00 C ATOM 1254 O TYR A 79 1.911 4.169 8.226 1.00 0.00 O ATOM 1255 CB TYR A 79 -0.982 4.404 9.618 1.00 0.00 C ATOM 1256 CG TYR A 79 -2.276 3.794 10.108 1.00 0.00 C ATOM 1257 CD1 TYR A 79 -2.350 2.449 10.448 1.00 0.00 C ATOM 1258 CD2 TYR A 79 -3.424 4.567 10.233 1.00 0.00 C ATOM 1259 CE1 TYR A 79 -3.533 1.891 10.896 1.00 0.00 C ATOM 1260 CE2 TYR A 79 -4.610 4.017 10.681 1.00 0.00 C ATOM 1261 CZ TYR A 79 -4.659 2.680 11.011 1.00 0.00 C ATOM 1262 OH TYR A 79 -5.838 2.128 11.458 1.00 0.00 O ATOM 0 H TYR A 79 0.420 2.148 9.276 1.00 0.00 H new ATOM 0 HA TYR A 79 -1.217 3.891 7.537 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -0.222 4.290 10.391 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -1.129 5.474 9.471 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -1.470 1.830 10.361 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -3.389 5.615 9.976 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -3.575 0.843 11.155 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -5.493 4.632 10.772 1.00 0.00 H new ATOM 0 HH TYR A 79 -6.203 1.535 10.769 1.00 0.00 H new ATOM 1272 N LEU A 80 0.584 5.592 7.092 1.00 0.00 N ATOM 1273 CA LEU A 80 1.675 6.417 6.593 1.00 0.00 C ATOM 1274 C LEU A 80 1.432 7.875 6.966 1.00 0.00 C ATOM 1275 O LEU A 80 1.016 8.679 6.131 1.00 0.00 O ATOM 1276 CB LEU A 80 1.791 6.276 5.072 1.00 0.00 C ATOM 1277 CG LEU A 80 2.899 7.107 4.420 1.00 0.00 C ATOM 1278 CD1 LEU A 80 4.266 6.670 4.925 1.00 0.00 C ATOM 1279 CD2 LEU A 80 2.827 6.993 2.904 1.00 0.00 C ATOM 0 H LEU A 80 -0.341 5.899 6.792 1.00 0.00 H new ATOM 0 HA LEU A 80 2.608 6.083 7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.959 5.226 4.833 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.838 6.557 4.624 1.00 0.00 H new ATOM 0 HG LEU A 80 2.752 8.151 4.695 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.039 7.273 4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 80 4.315 6.804 6.006 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.425 5.619 4.682 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.622 7.590 2.456 1.00 0.00 H new ATOM 0 HD22 LEU A 80 2.948 5.950 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 80 1.860 7.358 2.557 1.00 0.00 H new ATOM 1291 N GLY A 81 1.673 8.208 8.233 1.00 0.00 N ATOM 1292 CA GLY A 81 1.452 9.559 8.691 1.00 0.00 C ATOM 1293 C GLY A 81 -0.023 9.866 8.849 1.00 0.00 C ATOM 1294 O GLY A 81 -0.567 9.788 9.950 1.00 0.00 O ATOM 0 H GLY A 81 2.017 7.563 8.945 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.958 9.707 9.645 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.895 10.260 7.983 1.00 0.00 H new ATOM 1298 N GLN A 82 -0.675 10.201 7.742 1.00 0.00 N ATOM 1299 CA GLN A 82 -2.099 10.502 7.756 1.00 0.00 C ATOM 1300 C GLN A 82 -2.879 9.490 6.926 1.00 0.00 C ATOM 1301 O GLN A 82 -4.107 9.451 6.981 1.00 0.00 O ATOM 1302 CB GLN A 82 -2.365 11.901 7.205 1.00 0.00 C ATOM 1303 CG GLN A 82 -1.621 13.004 7.938 1.00 0.00 C ATOM 1304 CD GLN A 82 -1.971 13.069 9.410 1.00 0.00 C ATOM 1305 OE1 GLN A 82 -3.131 13.260 9.778 1.00 0.00 O ATOM 1306 NE2 GLN A 82 -0.967 12.909 10.264 1.00 0.00 N ATOM 0 H GLN A 82 -0.238 10.271 6.823 1.00 0.00 H new ATOM 0 HA GLN A 82 -2.430 10.451 8.793 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -2.085 11.925 6.152 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -3.435 12.103 7.255 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -0.548 12.846 7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -1.850 13.962 7.472 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -0.021 12.753 9.916 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -1.142 12.942 11.268 1.00 0.00 H new ATOM 1315 N VAL A 83 -2.167 8.677 6.150 1.00 0.00 N ATOM 1316 CA VAL A 83 -2.812 7.684 5.311 1.00 0.00 C ATOM 1317 C VAL A 83 -2.887 6.342 6.015 1.00 0.00 C ATOM 1318 O VAL A 83 -2.132 6.066 6.948 1.00 0.00 O ATOM 1319 CB VAL A 83 -2.076 7.504 3.971 1.00 0.00 C ATOM 1320 CG1 VAL A 83 -2.883 6.623 3.029 1.00 0.00 C ATOM 1321 CG2 VAL A 83 -1.783 8.855 3.334 1.00 0.00 C ATOM 0 H VAL A 83 -1.149 8.690 6.088 1.00 0.00 H new ATOM 0 HA VAL A 83 -3.819 8.050 5.113 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.125 7.008 4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.345 6.508 2.088 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -3.031 5.644 3.484 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.852 7.085 2.839 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.262 8.706 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.719 9.383 3.154 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.157 9.445 4.004 1.00 0.00 H new ATOM 1331 N ALA A 84 -3.803 5.512 5.553 1.00 0.00 N ATOM 1332 CA ALA A 84 -3.998 4.191 6.113 1.00 0.00 C ATOM 1333 C ALA A 84 -4.268 3.195 5.000 1.00 0.00 C ATOM 1334 O ALA A 84 -5.298 3.266 4.330 1.00 0.00 O ATOM 1335 CB ALA A 84 -5.144 4.204 7.112 1.00 0.00 C ATOM 0 H ALA A 84 -4.431 5.735 4.781 1.00 0.00 H new ATOM 0 HA ALA A 84 -3.092 3.890 6.639 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -5.279 3.204 7.524 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -4.916 4.901 7.918 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -6.060 4.516 6.611 1.00 0.00 H new ATOM 1341 N ILE A 85 -3.339 2.278 4.790 1.00 0.00 N ATOM 1342 CA ILE A 85 -3.494 1.284 3.744 1.00 0.00 C ATOM 1343 C ILE A 85 -3.719 -0.100 4.312 1.00 0.00 C ATOM 1344 O ILE A 85 -3.156 -0.472 5.342 1.00 0.00 O ATOM 1345 CB ILE A 85 -2.282 1.260 2.789 1.00 0.00 C ATOM 1346 CG1 ILE A 85 -2.385 2.431 1.826 1.00 0.00 C ATOM 1347 CG2 ILE A 85 -2.212 -0.053 2.015 1.00 0.00 C ATOM 1348 CD1 ILE A 85 -1.265 2.486 0.810 1.00 0.00 C ATOM 0 H ILE A 85 -2.475 2.202 5.327 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.378 1.576 3.177 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.370 1.344 3.379 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -3.338 2.374 1.300 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.391 3.360 2.397 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -1.348 -0.038 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -2.118 -0.883 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.120 -0.177 1.425 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.407 3.348 0.158 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.309 2.575 1.326 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.271 1.574 0.212 1.00 0.00 H new ATOM 1360 N LEU A 86 -4.538 -0.860 3.610 1.00 0.00 N ATOM 1361 CA LEU A 86 -4.837 -2.227 4.021 1.00 0.00 C ATOM 1362 C LEU A 86 -4.874 -3.155 2.815 1.00 0.00 C ATOM 1363 O LEU A 86 -4.868 -2.701 1.673 1.00 0.00 O ATOM 1364 CB LEU A 86 -6.158 -2.295 4.800 1.00 0.00 C ATOM 1365 CG LEU A 86 -7.432 -1.982 4.007 1.00 0.00 C ATOM 1366 CD1 LEU A 86 -7.723 -3.075 2.988 1.00 0.00 C ATOM 1367 CD2 LEU A 86 -8.610 -1.817 4.954 1.00 0.00 C ATOM 0 H LEU A 86 -5.008 -0.560 2.756 1.00 0.00 H new ATOM 0 HA LEU A 86 -4.040 -2.559 4.686 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -6.255 -3.295 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -6.097 -1.600 5.638 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.277 -1.048 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -8.632 -2.828 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -6.889 -3.154 2.291 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.857 -4.026 3.503 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -9.510 -1.595 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -8.757 -2.739 5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -8.409 -0.998 5.645 1.00 0.00 H new ATOM 1379 N LEU A 87 -4.902 -4.453 3.086 1.00 0.00 N ATOM 1380 CA LEU A 87 -4.936 -5.461 2.034 1.00 0.00 C ATOM 1381 C LEU A 87 -5.208 -6.831 2.646 1.00 0.00 C ATOM 1382 O LEU A 87 -4.529 -7.242 3.586 1.00 0.00 O ATOM 1383 CB LEU A 87 -3.606 -5.465 1.268 1.00 0.00 C ATOM 1384 CG LEU A 87 -3.530 -6.419 0.073 1.00 0.00 C ATOM 1385 CD1 LEU A 87 -2.287 -6.131 -0.755 1.00 0.00 C ATOM 1386 CD2 LEU A 87 -3.524 -7.867 0.537 1.00 0.00 C ATOM 0 H LEU A 87 -4.902 -4.835 4.032 1.00 0.00 H new ATOM 0 HA LEU A 87 -5.736 -5.226 1.332 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.409 -4.453 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.808 -5.721 1.965 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.413 -6.259 -0.546 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -2.246 -6.817 -1.601 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -2.323 -5.105 -1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.399 -6.264 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.470 -8.526 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.660 -8.040 1.179 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -4.438 -8.074 1.094 1.00 0.00 H new ATOM 1398 N PHE A 88 -6.207 -7.531 2.121 1.00 0.00 N ATOM 1399 CA PHE A 88 -6.558 -8.843 2.642 1.00 0.00 C ATOM 1400 C PHE A 88 -7.377 -9.645 1.630 1.00 0.00 C ATOM 1401 O PHE A 88 -7.755 -9.135 0.574 1.00 0.00 O ATOM 1402 CB PHE A 88 -7.336 -8.691 3.950 1.00 0.00 C ATOM 1403 CG PHE A 88 -8.593 -7.874 3.822 1.00 0.00 C ATOM 1404 CD1 PHE A 88 -9.660 -8.324 3.060 1.00 0.00 C ATOM 1405 CD2 PHE A 88 -8.704 -6.652 4.467 1.00 0.00 C ATOM 1406 CE1 PHE A 88 -10.814 -7.569 2.945 1.00 0.00 C ATOM 1407 CE2 PHE A 88 -9.854 -5.895 4.356 1.00 0.00 C ATOM 1408 CZ PHE A 88 -10.910 -6.354 3.594 1.00 0.00 C ATOM 0 H PHE A 88 -6.783 -7.214 1.341 1.00 0.00 H new ATOM 0 HA PHE A 88 -5.635 -9.391 2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -7.595 -9.681 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -6.688 -8.228 4.695 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -9.590 -9.274 2.551 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.881 -6.287 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -11.639 -7.930 2.348 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -9.927 -4.945 4.865 1.00 0.00 H new ATOM 0 HZ PHE A 88 -11.810 -5.763 3.506 1.00 0.00 H new ATOM 1418 N LYS A 89 -7.653 -10.901 1.970 1.00 0.00 N ATOM 1419 CA LYS A 89 -8.427 -11.788 1.114 1.00 0.00 C ATOM 1420 C LYS A 89 -9.739 -12.177 1.791 1.00 0.00 C ATOM 1421 O LYS A 89 -9.745 -12.935 2.763 1.00 0.00 O ATOM 1422 CB LYS A 89 -7.608 -13.044 0.798 1.00 0.00 C ATOM 1423 CG LYS A 89 -8.389 -14.128 0.079 1.00 0.00 C ATOM 1424 CD LYS A 89 -8.630 -13.744 -1.362 1.00 0.00 C ATOM 1425 CE LYS A 89 -7.331 -13.739 -2.151 1.00 0.00 C ATOM 1426 NZ LYS A 89 -6.631 -15.052 -2.077 1.00 0.00 N ATOM 0 H LYS A 89 -7.347 -11.329 2.844 1.00 0.00 H new ATOM 0 HA LYS A 89 -8.660 -11.265 0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -6.751 -12.762 0.186 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -7.214 -13.452 1.729 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -7.840 -15.069 0.123 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -9.342 -14.291 0.582 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -9.332 -14.444 -1.816 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -9.090 -12.757 -1.407 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -7.540 -13.497 -3.193 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -6.676 -12.956 -1.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -6.229 -15.284 -3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -5.867 -14.999 -1.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -7.308 -15.791 -1.799 1.00 0.00 H new ATOM 1440 N SER A 90 -10.846 -11.665 1.268 1.00 0.00 N ATOM 1441 CA SER A 90 -12.160 -11.969 1.818 1.00 0.00 C ATOM 1442 C SER A 90 -12.946 -12.864 0.867 1.00 0.00 C ATOM 1443 O SER A 90 -14.176 -12.828 0.835 1.00 0.00 O ATOM 1444 CB SER A 90 -12.941 -10.682 2.095 1.00 0.00 C ATOM 1445 OG SER A 90 -12.306 -9.899 3.093 1.00 0.00 O ATOM 0 H SER A 90 -10.860 -11.038 0.464 1.00 0.00 H new ATOM 0 HA SER A 90 -12.018 -12.499 2.760 1.00 0.00 H new ATOM 0 HB2 SER A 90 -13.029 -10.102 1.176 1.00 0.00 H new ATOM 0 HB3 SER A 90 -13.954 -10.930 2.414 1.00 0.00 H new ATOM 0 HG SER A 90 -11.458 -9.552 2.746 1.00 0.00 H new ATOM 1451 N GLY A 91 -12.223 -13.662 0.093 1.00 0.00 N ATOM 1452 CA GLY A 91 -12.860 -14.560 -0.854 1.00 0.00 C ATOM 1453 C GLY A 91 -11.996 -14.827 -2.071 1.00 0.00 C ATOM 1454 O GLY A 91 -11.665 -13.861 -2.789 1.00 0.00 O ATOM 1455 OXT GLY A 91 -11.650 -16.004 -2.305 1.00 0.00 O ATOM 0 H GLY A 91 -11.204 -13.705 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -13.086 -15.504 -0.359 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -13.810 -14.132 -1.174 1.00 0.00 H new