USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 852 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 39 CYS SG : rot 87:sc= -5.96! USER MOD Set 1.2: A 63 ASN : amide:sc= -5.79! C(o=-12!,f=-20!) USER MOD Set 2.1: A 20 TYR OH : rot 0:sc= -2.11! USER MOD Set 2.2: A 43 HIS : no HD1:sc= -0.98 K(o=-3.1,f=-18!) USER MOD Set 3.1: A 22 HIS : no HE2:sc= -2.46! C(o=-2.8!,f=-7.1!) USER MOD Set 3.2: A 36 MET CE :methyl -155:sc= -0.32 (180deg=0) USER MOD Set 4.1: A 19 ASN :FLIP amide:sc= 0.019 F(o=-1.9,f=0.97) USER MOD Set 4.2: A 44 LYS NZ :NH3+ -151:sc= 0.95 (180deg=0) USER MOD Single : A 7 ASN : amide:sc= -0.0797 X(o=-0.08,f=0) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 180:sc= -3.72! USER MOD Single : A 16 MET CE :methyl -154:sc= -0.614 (180deg=-3.15!) USER MOD Single : A 17 THR OG1 : rot 45:sc= -1.12 USER MOD Single : A 26 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.098) USER MOD Single : A 27 ASN :FLIP amide:sc= -1.42 F(o=-3.8!,f=-1.4) USER MOD Single : A 29 SER OG : rot 180:sc= 0.185 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -79:sc= 0.121 USER MOD Single : A 33 SER OG : rot -30:sc= 0.683 USER MOD Single : A 34 SER OG : rot -150:sc= -0.201 USER MOD Single : A 52 TYR OH : rot -170:sc= -2.09 USER MOD Single : A 59 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.248) USER MOD Single : A 62 HIS : no HD1:sc= -0.0493 X(o=-0.049,f=0) USER MOD Single : A 65 THR OG1 : rot 82:sc= -1.64! USER MOD Single : A 69 SER OG : rot -62:sc= -0.343 USER MOD Single : A 70 THR OG1 : rot 96:sc= 1.21 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 CYS SG : rot -3:sc= 0.608 USER MOD Single : A 79 GLN :FLIP amide:sc= -0.927 F(o=-1.9!,f=-0.93) USER MOD Single : A 86 MET CE :methyl -133:sc=-0.00516 (180deg=-1.38) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 149:sc= -0.305 (180deg=-1.32!) USER MOD Single : A 96 CYS SG : rot 180:sc= -1.09 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 99:sc= 0.77 USER MOD Single : A 100 TYR OH : rot 165:sc=-0.00866 USER MOD Single : A 102 GLN :FLIP amide:sc=-0.00131 F(o=-1.5!,f=-0.0013) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 71:sc= 0.0291 USER MOD Single : A 110 GLN : amide:sc= -0.0451 X(o=-0.045,f=-0.19) USER MOD Single : A 111 LYS NZ :NH3+ -114:sc= -0.221 (180deg=-1.29) USER MOD ----------------------------------------------------------------- ATOM 83 N ASN A 7 3.141 13.054 5.281 1.00 0.00 N ATOM 84 CA ASN A 7 2.758 13.723 4.050 1.00 0.00 C ATOM 85 C ASN A 7 3.544 13.153 2.875 1.00 0.00 C ATOM 86 O ASN A 7 3.008 12.970 1.782 1.00 0.00 O ATOM 87 CB ASN A 7 3.024 15.226 4.168 1.00 0.00 C ATOM 88 CG ASN A 7 2.660 15.928 2.863 1.00 0.00 C ATOM 89 OD1 ASN A 7 1.503 16.296 2.658 1.00 0.00 O ATOM 90 ND2 ASN A 7 3.583 16.134 1.966 1.00 0.00 N ATOM 0 HA ASN A 7 1.694 13.559 3.878 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.441 15.643 4.989 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.074 15.400 4.403 1.00 0.00 H new ATOM 0 HD21 ASN A 7 3.348 16.602 1.090 1.00 0.00 H new ATOM 0 HD22 ASN A 7 4.540 15.828 2.140 1.00 0.00 H new ATOM 97 N MET A 8 4.819 12.875 3.117 1.00 0.00 N ATOM 98 CA MET A 8 5.691 12.329 2.084 1.00 0.00 C ATOM 99 C MET A 8 5.131 11.010 1.566 1.00 0.00 C ATOM 100 O MET A 8 5.070 10.781 0.358 1.00 0.00 O ATOM 101 CB MET A 8 7.089 12.110 2.672 1.00 0.00 C ATOM 102 CG MET A 8 8.030 11.542 1.606 1.00 0.00 C ATOM 103 SD MET A 8 9.737 11.606 2.210 1.00 0.00 S ATOM 104 CE MET A 8 10.548 11.340 0.612 1.00 0.00 C ATOM 0 H MET A 8 5.272 13.019 4.019 1.00 0.00 H new ATOM 0 HA MET A 8 5.750 13.030 1.252 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.484 13.053 3.050 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.032 11.426 3.519 1.00 0.00 H new ATOM 0 HG2 MET A 8 7.754 10.514 1.373 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.938 12.114 0.683 1.00 0.00 H new ATOM 0 HE1 MET A 8 11.629 11.342 0.748 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.236 10.380 0.201 1.00 0.00 H new ATOM 0 HE3 MET A 8 10.268 12.138 -0.076 1.00 0.00 H new ATOM 114 N LEU A 9 4.719 10.150 2.494 1.00 0.00 N ATOM 115 CA LEU A 9 4.159 8.858 2.142 1.00 0.00 C ATOM 116 C LEU A 9 2.908 9.042 1.302 1.00 0.00 C ATOM 117 O LEU A 9 2.738 8.397 0.267 1.00 0.00 O ATOM 118 CB LEU A 9 3.805 8.109 3.420 1.00 0.00 C ATOM 119 CG LEU A 9 5.074 7.712 4.161 1.00 0.00 C ATOM 120 CD1 LEU A 9 4.697 7.216 5.557 1.00 0.00 C ATOM 121 CD2 LEU A 9 5.821 6.599 3.392 1.00 0.00 C ATOM 0 H LEU A 9 4.765 10.330 3.497 1.00 0.00 H new ATOM 0 HA LEU A 9 4.890 8.291 1.566 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.183 8.736 4.058 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.221 7.220 3.180 1.00 0.00 H new ATOM 0 HG LEU A 9 5.733 8.577 4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.599 6.929 6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.187 8.011 6.100 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.036 6.354 5.471 1.00 0.00 H new ATOM 0 HD21 LEU A 9 6.726 6.326 3.935 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.176 5.725 3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.088 6.960 2.399 1.00 0.00 H new ATOM 133 N LEU A 10 2.030 9.926 1.765 1.00 0.00 N ATOM 134 CA LEU A 10 0.787 10.185 1.054 1.00 0.00 C ATOM 135 C LEU A 10 1.116 10.690 -0.348 1.00 0.00 C ATOM 136 O LEU A 10 0.537 10.250 -1.338 1.00 0.00 O ATOM 137 CB LEU A 10 -0.052 11.225 1.831 1.00 0.00 C ATOM 138 CG LEU A 10 -1.545 11.099 1.468 1.00 0.00 C ATOM 139 CD1 LEU A 10 -2.185 9.983 2.309 1.00 0.00 C ATOM 140 CD2 LEU A 10 -2.265 12.436 1.742 1.00 0.00 C ATOM 0 H LEU A 10 2.155 10.469 2.620 1.00 0.00 H new ATOM 0 HA LEU A 10 0.202 9.269 0.973 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.081 11.079 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.300 12.230 1.600 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.639 10.854 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.241 9.894 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.681 9.039 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.088 10.224 3.368 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -3.320 12.341 1.484 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.172 12.690 2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.813 13.223 1.138 1.00 0.00 H new ATOM 152 N GLU A 11 2.069 11.601 -0.420 1.00 0.00 N ATOM 153 CA GLU A 11 2.505 12.168 -1.695 1.00 0.00 C ATOM 154 C GLU A 11 3.031 11.068 -2.598 1.00 0.00 C ATOM 155 O GLU A 11 2.589 10.868 -3.731 1.00 0.00 O ATOM 156 CB GLU A 11 3.640 13.137 -1.409 1.00 0.00 C ATOM 157 CG GLU A 11 3.951 13.952 -2.655 1.00 0.00 C ATOM 158 CD GLU A 11 2.837 14.954 -2.917 1.00 0.00 C ATOM 159 OE1 GLU A 11 1.967 15.075 -2.069 1.00 0.00 O ATOM 160 OE2 GLU A 11 2.867 15.586 -3.959 1.00 0.00 O ATOM 0 H GLU A 11 2.563 11.970 0.393 1.00 0.00 H new ATOM 0 HA GLU A 11 1.669 12.668 -2.184 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.365 13.801 -0.589 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.527 12.588 -1.092 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.899 14.475 -2.529 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.064 13.290 -3.513 1.00 0.00 H new ATOM 167 N TRP A 12 3.991 10.372 -2.035 1.00 0.00 N ATOM 168 CA TRP A 12 4.680 9.264 -2.662 1.00 0.00 C ATOM 169 C TRP A 12 3.692 8.234 -3.214 1.00 0.00 C ATOM 170 O TRP A 12 3.644 7.997 -4.421 1.00 0.00 O ATOM 171 CB TRP A 12 5.532 8.695 -1.539 1.00 0.00 C ATOM 172 CG TRP A 12 6.312 7.496 -1.922 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.442 7.484 -2.655 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.069 6.135 -1.508 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.906 6.182 -2.728 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.087 5.311 -2.034 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.061 5.548 -0.737 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.106 3.938 -1.794 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.071 4.167 -0.490 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.093 3.362 -1.019 1.00 0.00 C ATOM 0 H TRP A 12 4.327 10.568 -1.092 1.00 0.00 H new ATOM 0 HA TRP A 12 5.276 9.564 -3.524 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.219 9.467 -1.191 1.00 0.00 H new ATOM 0 HB3 TRP A 12 4.885 8.442 -0.699 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.908 8.346 -3.110 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.747 5.900 -3.231 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.271 6.161 -0.330 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 7.895 3.324 -2.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.290 3.722 0.109 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.097 2.299 -0.828 1.00 0.00 H new ATOM 191 N CYS A 13 2.901 7.639 -2.329 1.00 0.00 N ATOM 192 CA CYS A 13 1.905 6.646 -2.738 1.00 0.00 C ATOM 193 C CYS A 13 0.992 7.197 -3.842 1.00 0.00 C ATOM 194 O CYS A 13 0.715 6.529 -4.832 1.00 0.00 O ATOM 195 CB CYS A 13 1.066 6.263 -1.516 1.00 0.00 C ATOM 196 SG CYS A 13 0.548 4.536 -1.643 1.00 0.00 S ATOM 0 H CYS A 13 2.927 7.823 -1.326 1.00 0.00 H new ATOM 0 HA CYS A 13 2.419 5.771 -3.136 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.645 6.412 -0.605 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.192 6.910 -1.447 1.00 0.00 H new ATOM 0 HG CYS A 13 -0.162 4.218 -0.601 1.00 0.00 H new ATOM 202 N ARG A 14 0.550 8.430 -3.646 1.00 0.00 N ATOM 203 CA ARG A 14 -0.319 9.100 -4.617 1.00 0.00 C ATOM 204 C ARG A 14 0.380 9.227 -5.958 1.00 0.00 C ATOM 205 O ARG A 14 -0.247 9.148 -7.019 1.00 0.00 O ATOM 206 CB ARG A 14 -0.691 10.499 -4.118 1.00 0.00 C ATOM 207 CG ARG A 14 -1.836 10.410 -3.106 1.00 0.00 C ATOM 208 CD ARG A 14 -2.223 11.820 -2.655 1.00 0.00 C ATOM 209 NE ARG A 14 -3.325 11.757 -1.698 1.00 0.00 N ATOM 210 CZ ARG A 14 -4.153 12.786 -1.528 1.00 0.00 C ATOM 211 NH1 ARG A 14 -3.779 13.821 -0.827 1.00 0.00 N ATOM 212 NH2 ARG A 14 -5.342 12.758 -2.066 1.00 0.00 N ATOM 0 H ARG A 14 0.776 8.992 -2.825 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.221 8.499 -4.734 1.00 0.00 H new ATOM 0 HB2 ARG A 14 0.176 10.971 -3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.986 11.127 -4.959 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -2.695 9.911 -3.554 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -1.532 9.812 -2.247 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.364 12.313 -2.200 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -2.514 12.419 -3.518 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.463 10.908 -1.149 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -2.850 13.844 -0.407 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -4.416 14.607 -0.699 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.635 11.949 -2.615 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.979 13.545 -1.938 1.00 0.00 H new ATOM 226 N ALA A 15 1.673 9.448 -5.894 1.00 0.00 N ATOM 227 CA ALA A 15 2.476 9.619 -7.095 1.00 0.00 C ATOM 228 C ALA A 15 2.459 8.361 -7.961 1.00 0.00 C ATOM 229 O ALA A 15 2.822 8.400 -9.134 1.00 0.00 O ATOM 230 CB ALA A 15 3.918 9.948 -6.705 1.00 0.00 C ATOM 0 H ALA A 15 2.198 9.515 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 15 2.048 10.437 -7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.518 10.076 -7.606 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.936 10.869 -6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.328 9.134 -6.108 1.00 0.00 H new ATOM 236 N MET A 16 2.062 7.242 -7.367 1.00 0.00 N ATOM 237 CA MET A 16 2.024 5.959 -8.074 1.00 0.00 C ATOM 238 C MET A 16 0.610 5.386 -8.073 1.00 0.00 C ATOM 239 O MET A 16 0.356 4.338 -8.665 1.00 0.00 O ATOM 240 CB MET A 16 2.997 4.986 -7.397 1.00 0.00 C ATOM 241 CG MET A 16 2.836 5.070 -5.875 1.00 0.00 C ATOM 242 SD MET A 16 4.173 4.171 -5.052 1.00 0.00 S ATOM 243 CE MET A 16 5.382 5.520 -5.016 1.00 0.00 C ATOM 0 H MET A 16 1.760 7.193 -6.394 1.00 0.00 H new ATOM 0 HA MET A 16 2.323 6.110 -9.111 1.00 0.00 H new ATOM 0 HB2 MET A 16 2.804 3.968 -7.737 1.00 0.00 H new ATOM 0 HB3 MET A 16 4.022 5.227 -7.678 1.00 0.00 H new ATOM 0 HG2 MET A 16 2.841 6.113 -5.559 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.873 4.653 -5.581 1.00 0.00 H new ATOM 0 HE1 MET A 16 6.390 5.105 -4.988 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.267 6.135 -5.908 1.00 0.00 H new ATOM 0 HE3 MET A 16 5.217 6.133 -4.130 1.00 0.00 H new ATOM 253 N THR A 17 -0.310 6.079 -7.398 1.00 0.00 N ATOM 254 CA THR A 17 -1.701 5.635 -7.321 1.00 0.00 C ATOM 255 C THR A 17 -2.523 6.182 -8.489 1.00 0.00 C ATOM 256 O THR A 17 -3.634 5.723 -8.745 1.00 0.00 O ATOM 257 CB THR A 17 -2.329 6.116 -6.010 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.464 5.822 -4.930 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.669 5.414 -5.790 1.00 0.00 C ATOM 0 H THR A 17 -0.116 6.947 -6.899 1.00 0.00 H new ATOM 0 HA THR A 17 -1.705 4.546 -7.366 1.00 0.00 H new ATOM 0 HB THR A 17 -2.488 7.193 -6.066 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.545 6.063 -5.171 1.00 0.00 H new ATOM 0 HG21 THR A 17 -4.112 5.760 -4.856 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.341 5.644 -6.617 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.511 4.337 -5.740 1.00 0.00 H new ATOM 267 N ARG A 18 -1.963 7.151 -9.197 1.00 0.00 N ATOM 268 CA ARG A 18 -2.637 7.747 -10.342 1.00 0.00 C ATOM 269 C ARG A 18 -2.792 6.702 -11.448 1.00 0.00 C ATOM 270 O ARG A 18 -3.820 6.625 -12.128 1.00 0.00 O ATOM 271 CB ARG A 18 -1.809 8.921 -10.846 1.00 0.00 C ATOM 272 CG ARG A 18 -2.573 9.634 -11.953 1.00 0.00 C ATOM 273 CD ARG A 18 -1.724 10.759 -12.529 1.00 0.00 C ATOM 274 NE ARG A 18 -2.525 11.544 -13.457 1.00 0.00 N ATOM 275 CZ ARG A 18 -2.928 11.031 -14.612 1.00 0.00 C ATOM 276 NH1 ARG A 18 -4.034 10.339 -14.663 1.00 0.00 N ATOM 277 NH2 ARG A 18 -2.219 11.215 -15.689 1.00 0.00 N ATOM 0 H ARG A 18 -1.042 7.542 -8.999 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.626 8.098 -10.049 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.600 9.612 -10.029 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -0.847 8.569 -11.220 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -2.836 8.926 -12.739 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.507 10.036 -11.561 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -1.350 11.395 -11.726 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -0.854 10.347 -13.041 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.780 12.502 -13.216 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -4.585 10.195 -13.817 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -4.347 9.943 -15.549 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -1.354 11.754 -15.644 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -2.529 10.821 -16.577 1.00 0.00 H new ATOM 291 N ASN A 19 -1.738 5.922 -11.616 1.00 0.00 N ATOM 292 CA ASN A 19 -1.701 4.873 -12.628 1.00 0.00 C ATOM 293 C ASN A 19 -2.845 3.895 -12.407 1.00 0.00 C ATOM 294 O ASN A 19 -3.402 3.343 -13.357 1.00 0.00 O ATOM 295 CB ASN A 19 -0.367 4.116 -12.551 1.00 0.00 C ATOM 296 CG ASN A 19 0.745 4.935 -13.197 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.903 5.024 -12.605 1.00 0.00 O flip ATOM 298 ND2 ASN A 19 0.550 5.511 -14.267 1.00 0.00 N flip ATOM 0 H ASN A 19 -0.886 5.995 -11.059 1.00 0.00 H new ATOM 0 HA ASN A 19 -1.802 5.333 -13.611 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.118 3.910 -11.510 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.458 3.153 -13.054 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -0.357 5.439 -14.727 1.00 0.00 H new ATOM 0 HD22 ASN A 19 1.296 6.060 -14.694 1.00 0.00 H new ATOM 305 N TYR A 20 -3.171 3.682 -11.142 1.00 0.00 N ATOM 306 CA TYR A 20 -4.236 2.767 -10.759 1.00 0.00 C ATOM 307 C TYR A 20 -5.556 3.511 -10.596 1.00 0.00 C ATOM 308 O TYR A 20 -5.571 4.704 -10.299 1.00 0.00 O ATOM 309 CB TYR A 20 -3.857 2.098 -9.441 1.00 0.00 C ATOM 310 CG TYR A 20 -2.653 1.213 -9.665 1.00 0.00 C ATOM 311 CD1 TYR A 20 -2.774 0.061 -10.444 1.00 0.00 C ATOM 312 CD2 TYR A 20 -1.422 1.543 -9.085 1.00 0.00 C ATOM 313 CE1 TYR A 20 -1.665 -0.768 -10.646 1.00 0.00 C ATOM 314 CE2 TYR A 20 -0.312 0.717 -9.288 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.431 -0.439 -10.068 1.00 0.00 C ATOM 316 OH TYR A 20 0.665 -1.255 -10.265 1.00 0.00 O ATOM 0 H TYR A 20 -2.708 4.136 -10.355 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.362 2.018 -11.540 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.634 2.853 -8.687 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.693 1.508 -9.065 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -3.724 -0.191 -10.891 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.330 2.434 -8.482 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -1.760 -1.661 -11.247 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.638 0.971 -8.842 1.00 0.00 H new ATOM 0 HH TYR A 20 0.410 -2.016 -10.828 1.00 0.00 H new ATOM 326 N GLU A 21 -6.662 2.806 -10.811 1.00 0.00 N ATOM 327 CA GLU A 21 -7.994 3.415 -10.695 1.00 0.00 C ATOM 328 C GLU A 21 -8.796 2.744 -9.594 1.00 0.00 C ATOM 329 O GLU A 21 -8.350 1.757 -9.013 1.00 0.00 O ATOM 330 CB GLU A 21 -8.745 3.267 -12.012 1.00 0.00 C ATOM 331 CG GLU A 21 -8.077 4.130 -13.079 1.00 0.00 C ATOM 332 CD GLU A 21 -8.745 3.888 -14.427 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.732 3.172 -14.454 1.00 0.00 O ATOM 334 OE2 GLU A 21 -8.263 4.424 -15.410 1.00 0.00 O ATOM 0 H GLU A 21 -6.669 1.818 -11.065 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.867 4.470 -10.453 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.750 2.223 -12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.785 3.567 -11.885 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.153 5.183 -12.809 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.015 3.892 -13.141 1.00 0.00 H new ATOM 341 N HIS A 22 -9.972 3.303 -9.305 1.00 0.00 N ATOM 342 CA HIS A 22 -10.833 2.757 -8.262 1.00 0.00 C ATOM 343 C HIS A 22 -10.122 2.889 -6.918 1.00 0.00 C ATOM 344 O HIS A 22 -10.584 2.412 -5.888 1.00 0.00 O ATOM 345 CB HIS A 22 -11.163 1.281 -8.582 1.00 0.00 C ATOM 346 CG HIS A 22 -12.105 0.700 -7.563 1.00 0.00 C ATOM 347 ND1 HIS A 22 -11.713 0.427 -6.268 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.417 0.297 -7.645 1.00 0.00 C ATOM 349 CE1 HIS A 22 -12.760 -0.115 -5.626 1.00 0.00 C ATOM 350 NE2 HIS A 22 -13.829 -0.218 -6.418 1.00 0.00 N ATOM 0 H HIS A 22 -10.346 4.127 -9.776 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.773 3.308 -8.216 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.609 1.212 -9.574 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.243 0.697 -8.605 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -10.791 0.605 -5.869 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.035 0.369 -8.528 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -12.740 -0.430 -4.593 1.00 0.00 H new ATOM 358 N VAL A 23 -8.978 3.574 -6.947 1.00 0.00 N ATOM 359 CA VAL A 23 -8.173 3.800 -5.754 1.00 0.00 C ATOM 360 C VAL A 23 -7.901 5.291 -5.577 1.00 0.00 C ATOM 361 O VAL A 23 -7.431 5.959 -6.495 1.00 0.00 O ATOM 362 CB VAL A 23 -6.843 3.050 -5.916 1.00 0.00 C ATOM 363 CG1 VAL A 23 -5.957 3.258 -4.687 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.120 1.553 -6.100 1.00 0.00 C ATOM 0 H VAL A 23 -8.588 3.984 -7.795 1.00 0.00 H new ATOM 0 HA VAL A 23 -8.707 3.438 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.324 3.440 -6.792 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.019 2.719 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.751 4.321 -4.563 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.469 2.882 -3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.176 1.020 -6.215 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -7.649 1.171 -5.227 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.732 1.403 -6.989 1.00 0.00 H new ATOM 374 N ASP A 24 -8.198 5.798 -4.386 1.00 0.00 N ATOM 375 CA ASP A 24 -7.979 7.212 -4.071 1.00 0.00 C ATOM 376 C ASP A 24 -7.459 7.348 -2.646 1.00 0.00 C ATOM 377 O ASP A 24 -8.185 7.112 -1.684 1.00 0.00 O ATOM 378 CB ASP A 24 -9.285 7.995 -4.218 1.00 0.00 C ATOM 379 CG ASP A 24 -9.040 9.470 -3.924 1.00 0.00 C ATOM 380 OD1 ASP A 24 -7.931 9.799 -3.535 1.00 0.00 O ATOM 381 OD2 ASP A 24 -9.962 10.250 -4.094 1.00 0.00 O ATOM 0 H ASP A 24 -8.592 5.253 -3.619 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.243 7.617 -4.766 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.679 7.877 -5.228 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -10.036 7.599 -3.535 1.00 0.00 H new ATOM 386 N ILE A 25 -6.182 7.698 -2.517 1.00 0.00 N ATOM 387 CA ILE A 25 -5.561 7.823 -1.199 1.00 0.00 C ATOM 388 C ILE A 25 -5.816 9.190 -0.559 1.00 0.00 C ATOM 389 O ILE A 25 -5.022 10.124 -0.697 1.00 0.00 O ATOM 390 CB ILE A 25 -4.063 7.533 -1.324 1.00 0.00 C ATOM 391 CG1 ILE A 25 -3.893 6.050 -1.685 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.355 7.828 0.003 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.439 5.752 -2.066 1.00 0.00 C ATOM 0 H ILE A 25 -5.561 7.899 -3.301 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.019 7.093 -0.532 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.623 8.165 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.188 5.428 -0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.552 5.794 -2.515 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.290 7.618 -0.098 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.495 8.877 0.265 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -3.776 7.199 0.788 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.338 4.696 -2.319 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.156 6.359 -2.926 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.787 5.988 -1.225 1.00 0.00 H new ATOM 405 N GLN A 26 -6.931 9.265 0.175 1.00 0.00 N ATOM 406 CA GLN A 26 -7.325 10.484 0.892 1.00 0.00 C ATOM 407 C GLN A 26 -6.923 10.354 2.353 1.00 0.00 C ATOM 408 O GLN A 26 -6.679 11.343 3.046 1.00 0.00 O ATOM 409 CB GLN A 26 -8.841 10.687 0.792 1.00 0.00 C ATOM 410 CG GLN A 26 -9.224 10.972 -0.662 1.00 0.00 C ATOM 411 CD GLN A 26 -10.741 11.049 -0.792 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.395 11.758 -0.029 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.345 10.349 -1.713 1.00 0.00 N ATOM 0 H GLN A 26 -7.582 8.489 0.289 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.824 11.343 0.446 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.362 9.798 1.149 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.150 11.515 1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.774 11.909 -0.989 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.834 10.188 -1.311 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.802 9.761 -2.345 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.360 10.390 -1.801 1.00 0.00 H new ATOM 422 N ASN A 27 -6.839 9.110 2.798 1.00 0.00 N ATOM 423 CA ASN A 27 -6.445 8.800 4.160 1.00 0.00 C ATOM 424 C ASN A 27 -5.739 7.460 4.159 1.00 0.00 C ATOM 425 O ASN A 27 -5.497 6.879 3.098 1.00 0.00 O ATOM 426 CB ASN A 27 -7.669 8.742 5.085 1.00 0.00 C ATOM 427 CG ASN A 27 -8.225 10.145 5.321 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.409 11.159 5.394 1.00 0.00 O flip ATOM 429 ND2 ASN A 27 -9.437 10.319 5.451 1.00 0.00 N flip ATOM 0 H ASN A 27 -7.042 8.290 2.226 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.781 9.581 4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.438 8.109 4.642 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -7.392 8.289 6.037 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.075 9.525 5.394 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.803 11.257 5.616 1.00 0.00 H new ATOM 436 N PHE A 28 -5.399 6.966 5.336 1.00 0.00 N ATOM 437 CA PHE A 28 -4.707 5.687 5.433 1.00 0.00 C ATOM 438 C PHE A 28 -5.660 4.603 5.913 1.00 0.00 C ATOM 439 O PHE A 28 -5.338 3.416 5.892 1.00 0.00 O ATOM 440 CB PHE A 28 -3.538 5.818 6.405 1.00 0.00 C ATOM 441 CG PHE A 28 -2.474 6.699 5.796 1.00 0.00 C ATOM 442 CD1 PHE A 28 -1.541 6.152 4.907 1.00 0.00 C ATOM 443 CD2 PHE A 28 -2.421 8.060 6.112 1.00 0.00 C ATOM 444 CE1 PHE A 28 -0.558 6.966 4.333 1.00 0.00 C ATOM 445 CE2 PHE A 28 -1.436 8.873 5.541 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.506 8.327 4.650 1.00 0.00 C ATOM 0 H PHE A 28 -5.586 7.422 6.229 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.334 5.408 4.447 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.881 6.243 7.348 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.126 4.834 6.630 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.580 5.100 4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -3.141 8.484 6.797 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.160 6.543 3.646 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -1.394 9.923 5.788 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.252 8.956 4.207 1.00 0.00 H new ATOM 456 N SER A 29 -6.827 5.033 6.374 1.00 0.00 N ATOM 457 CA SER A 29 -7.835 4.114 6.911 1.00 0.00 C ATOM 458 C SER A 29 -9.010 3.896 5.960 1.00 0.00 C ATOM 459 O SER A 29 -9.165 2.826 5.373 1.00 0.00 O ATOM 460 CB SER A 29 -8.366 4.689 8.223 1.00 0.00 C ATOM 461 OG SER A 29 -8.901 5.984 7.982 1.00 0.00 O ATOM 0 H SER A 29 -7.104 6.014 6.389 1.00 0.00 H new ATOM 0 HA SER A 29 -7.353 3.147 7.057 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.135 4.036 8.636 1.00 0.00 H new ATOM 0 HB3 SER A 29 -7.565 4.744 8.960 1.00 0.00 H new ATOM 0 HG SER A 29 -9.245 6.357 8.820 1.00 0.00 H new ATOM 467 N SER A 30 -9.848 4.913 5.843 1.00 0.00 N ATOM 468 CA SER A 30 -11.037 4.836 4.995 1.00 0.00 C ATOM 469 C SER A 30 -10.691 4.586 3.537 1.00 0.00 C ATOM 470 O SER A 30 -11.337 3.783 2.866 1.00 0.00 O ATOM 471 CB SER A 30 -11.834 6.134 5.097 1.00 0.00 C ATOM 472 OG SER A 30 -12.777 6.186 4.037 1.00 0.00 O ATOM 0 H SER A 30 -9.731 5.805 6.323 1.00 0.00 H new ATOM 0 HA SER A 30 -11.629 3.993 5.352 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.346 6.186 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.163 6.992 5.046 1.00 0.00 H new ATOM 0 HG SER A 30 -13.293 7.017 4.099 1.00 0.00 H new ATOM 478 N SER A 31 -9.692 5.288 3.037 1.00 0.00 N ATOM 479 CA SER A 31 -9.307 5.137 1.644 1.00 0.00 C ATOM 480 C SER A 31 -8.657 3.779 1.403 1.00 0.00 C ATOM 481 O SER A 31 -8.266 3.461 0.281 1.00 0.00 O ATOM 482 CB SER A 31 -8.340 6.252 1.258 1.00 0.00 C ATOM 483 OG SER A 31 -9.072 7.458 1.098 1.00 0.00 O ATOM 0 H SER A 31 -9.137 5.961 3.566 1.00 0.00 H new ATOM 0 HA SER A 31 -10.203 5.200 1.027 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.577 6.373 2.027 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.822 5.999 0.333 1.00 0.00 H new ATOM 0 HG SER A 31 -9.515 7.458 0.224 1.00 0.00 H new ATOM 489 N TRP A 32 -8.536 2.986 2.465 1.00 0.00 N ATOM 490 CA TRP A 32 -7.919 1.664 2.374 1.00 0.00 C ATOM 491 C TRP A 32 -8.930 0.543 2.607 1.00 0.00 C ATOM 492 O TRP A 32 -8.588 -0.635 2.508 1.00 0.00 O ATOM 493 CB TRP A 32 -6.824 1.586 3.427 1.00 0.00 C ATOM 494 CG TRP A 32 -5.689 2.450 3.019 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.756 3.787 2.882 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.330 2.064 2.702 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.517 4.252 2.489 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.601 3.224 2.370 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.667 0.830 2.671 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.254 3.161 2.021 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.313 0.762 2.313 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.607 1.927 1.993 1.00 0.00 C ATOM 0 H TRP A 32 -8.857 3.236 3.400 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.516 1.532 1.370 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.210 1.906 4.394 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.488 0.556 3.543 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.633 4.395 3.051 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.304 5.233 2.309 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.202 -0.074 2.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.714 4.063 1.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.812 -0.195 2.284 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.562 1.870 1.725 1.00 0.00 H new ATOM 513 N SER A 33 -10.164 0.908 2.935 1.00 0.00 N ATOM 514 CA SER A 33 -11.198 -0.086 3.195 1.00 0.00 C ATOM 515 C SER A 33 -11.473 -0.932 1.958 1.00 0.00 C ATOM 516 O SER A 33 -12.329 -1.815 1.986 1.00 0.00 O ATOM 517 CB SER A 33 -12.485 0.610 3.628 1.00 0.00 C ATOM 518 OG SER A 33 -13.437 -0.367 4.022 1.00 0.00 O ATOM 0 H SER A 33 -10.471 1.876 3.027 1.00 0.00 H new ATOM 0 HA SER A 33 -10.844 -0.742 3.990 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.283 1.292 4.454 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.881 1.210 2.809 1.00 0.00 H new ATOM 0 HG SER A 33 -13.289 -1.192 3.514 1.00 0.00 H new ATOM 524 N SER A 34 -10.761 -0.657 0.864 1.00 0.00 N ATOM 525 CA SER A 34 -10.964 -1.408 -0.376 1.00 0.00 C ATOM 526 C SER A 34 -9.951 -2.538 -0.523 1.00 0.00 C ATOM 527 O SER A 34 -10.204 -3.515 -1.227 1.00 0.00 O ATOM 528 CB SER A 34 -10.820 -0.469 -1.570 1.00 0.00 C ATOM 529 OG SER A 34 -9.452 -0.118 -1.721 1.00 0.00 O ATOM 0 H SER A 34 -10.048 0.070 0.810 1.00 0.00 H new ATOM 0 HA SER A 34 -11.964 -1.840 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 34 -11.187 -0.953 -2.475 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.424 0.426 -1.420 1.00 0.00 H new ATOM 0 HG SER A 34 -9.385 0.778 -2.112 1.00 0.00 H new ATOM 535 N GLY A 35 -8.797 -2.395 0.117 1.00 0.00 N ATOM 536 CA GLY A 35 -7.755 -3.410 0.005 1.00 0.00 C ATOM 537 C GLY A 35 -7.051 -3.246 -1.329 1.00 0.00 C ATOM 538 O GLY A 35 -5.973 -3.792 -1.561 1.00 0.00 O ATOM 0 H GLY A 35 -8.560 -1.600 0.710 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.041 -3.310 0.823 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.190 -4.407 0.082 1.00 0.00 H new ATOM 542 N MET A 36 -7.684 -2.464 -2.194 1.00 0.00 N ATOM 543 CA MET A 36 -7.154 -2.180 -3.513 1.00 0.00 C ATOM 544 C MET A 36 -5.849 -1.398 -3.402 1.00 0.00 C ATOM 545 O MET A 36 -5.001 -1.462 -4.288 1.00 0.00 O ATOM 546 CB MET A 36 -8.184 -1.363 -4.303 1.00 0.00 C ATOM 547 CG MET A 36 -9.479 -2.171 -4.465 1.00 0.00 C ATOM 548 SD MET A 36 -9.376 -3.201 -5.952 1.00 0.00 S ATOM 549 CE MET A 36 -11.011 -2.798 -6.624 1.00 0.00 C ATOM 0 H MET A 36 -8.577 -2.012 -1.998 1.00 0.00 H new ATOM 0 HA MET A 36 -6.953 -3.119 -4.030 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.392 -0.426 -3.786 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.782 -1.104 -5.282 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.640 -2.798 -3.588 1.00 0.00 H new ATOM 0 HG3 MET A 36 -10.333 -1.497 -4.536 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.351 -3.610 -7.266 1.00 0.00 H new ATOM 0 HE2 MET A 36 -11.718 -2.663 -5.805 1.00 0.00 H new ATOM 0 HE3 MET A 36 -10.949 -1.878 -7.205 1.00 0.00 H new ATOM 559 N ALA A 37 -5.708 -0.645 -2.314 1.00 0.00 N ATOM 560 CA ALA A 37 -4.506 0.157 -2.110 1.00 0.00 C ATOM 561 C ALA A 37 -3.257 -0.718 -1.966 1.00 0.00 C ATOM 562 O ALA A 37 -2.258 -0.498 -2.652 1.00 0.00 O ATOM 563 CB ALA A 37 -4.670 1.037 -0.874 1.00 0.00 C ATOM 0 H ALA A 37 -6.401 -0.574 -1.569 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.373 0.785 -2.991 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.768 1.632 -0.729 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.525 1.700 -1.010 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -4.834 0.408 0.001 1.00 0.00 H new ATOM 569 N PHE A 38 -3.307 -1.702 -1.066 1.00 0.00 N ATOM 570 CA PHE A 38 -2.149 -2.577 -0.851 1.00 0.00 C ATOM 571 C PHE A 38 -1.747 -3.284 -2.143 1.00 0.00 C ATOM 572 O PHE A 38 -0.564 -3.347 -2.482 1.00 0.00 O ATOM 573 CB PHE A 38 -2.464 -3.628 0.243 1.00 0.00 C ATOM 574 CG PHE A 38 -2.211 -3.046 1.619 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.896 -2.807 2.051 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.285 -2.749 2.461 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.664 -2.271 3.325 1.00 0.00 C ATOM 578 CE2 PHE A 38 -3.050 -2.215 3.733 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.743 -1.975 4.162 1.00 0.00 C ATOM 0 H PHE A 38 -4.118 -1.912 -0.484 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.316 -1.955 -0.524 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.503 -3.948 0.161 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -1.845 -4.513 0.096 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.064 -3.036 1.402 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.297 -2.931 2.130 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.346 -2.087 3.659 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.881 -1.988 4.384 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.566 -1.560 5.143 1.00 0.00 H new ATOM 589 N CYS A 39 -2.721 -3.821 -2.860 1.00 0.00 N ATOM 590 CA CYS A 39 -2.428 -4.525 -4.102 1.00 0.00 C ATOM 591 C CYS A 39 -1.891 -3.569 -5.168 1.00 0.00 C ATOM 592 O CYS A 39 -0.907 -3.868 -5.844 1.00 0.00 O ATOM 593 CB CYS A 39 -3.702 -5.203 -4.622 1.00 0.00 C ATOM 594 SG CYS A 39 -3.873 -6.839 -3.863 1.00 0.00 S ATOM 0 H CYS A 39 -3.709 -3.785 -2.610 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.663 -5.274 -3.895 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.573 -4.590 -4.389 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.659 -5.297 -5.707 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.491 -6.727 -2.725 1.00 0.00 H new ATOM 600 N ALA A 40 -2.571 -2.439 -5.322 1.00 0.00 N ATOM 601 CA ALA A 40 -2.201 -1.440 -6.319 1.00 0.00 C ATOM 602 C ALA A 40 -0.805 -0.872 -6.080 1.00 0.00 C ATOM 603 O ALA A 40 -0.045 -0.657 -7.024 1.00 0.00 O ATOM 604 CB ALA A 40 -3.218 -0.304 -6.281 1.00 0.00 C ATOM 0 H ALA A 40 -3.388 -2.190 -4.765 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.195 -1.927 -7.294 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.951 0.449 -7.023 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.210 -0.696 -6.503 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.221 0.149 -5.289 1.00 0.00 H new ATOM 610 N LEU A 41 -0.483 -0.600 -4.821 1.00 0.00 N ATOM 611 CA LEU A 41 0.817 -0.036 -4.473 1.00 0.00 C ATOM 612 C LEU A 41 1.943 -1.015 -4.807 1.00 0.00 C ATOM 613 O LEU A 41 2.971 -0.634 -5.359 1.00 0.00 O ATOM 614 CB LEU A 41 0.812 0.301 -2.976 1.00 0.00 C ATOM 615 CG LEU A 41 2.148 0.916 -2.537 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.432 2.203 -3.327 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.063 1.238 -1.040 1.00 0.00 C ATOM 0 H LEU A 41 -1.101 -0.760 -4.026 1.00 0.00 H new ATOM 0 HA LEU A 41 0.994 0.869 -5.054 1.00 0.00 H new ATOM 0 HB2 LEU A 41 0.001 0.997 -2.761 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.618 -0.603 -2.398 1.00 0.00 H new ATOM 0 HG LEU A 41 2.956 0.210 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.383 2.626 -3.003 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.480 1.973 -4.391 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.634 2.924 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 41 3.004 1.677 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.252 1.945 -0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.873 0.322 -0.481 1.00 0.00 H new ATOM 629 N ILE A 42 1.732 -2.283 -4.479 1.00 0.00 N ATOM 630 CA ILE A 42 2.720 -3.329 -4.757 1.00 0.00 C ATOM 631 C ILE A 42 2.884 -3.569 -6.263 1.00 0.00 C ATOM 632 O ILE A 42 3.996 -3.718 -6.758 1.00 0.00 O ATOM 633 CB ILE A 42 2.272 -4.633 -4.059 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.405 -4.484 -2.533 1.00 0.00 C ATOM 635 CG2 ILE A 42 3.098 -5.839 -4.537 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.871 -4.227 -2.116 1.00 0.00 C ATOM 0 H ILE A 42 0.885 -2.617 -4.019 1.00 0.00 H new ATOM 0 HA ILE A 42 3.687 -3.006 -4.373 1.00 0.00 H new ATOM 0 HB ILE A 42 1.229 -4.812 -4.321 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.778 -3.661 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 42 2.039 -5.387 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.757 -6.739 -4.026 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.973 -5.963 -5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 42 4.151 -5.671 -4.312 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.929 -4.127 -1.032 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.492 -5.063 -2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.227 -3.310 -2.585 1.00 0.00 H new ATOM 648 N HIS A 43 1.767 -3.626 -6.974 1.00 0.00 N ATOM 649 CA HIS A 43 1.786 -3.879 -8.416 1.00 0.00 C ATOM 650 C HIS A 43 2.617 -2.834 -9.158 1.00 0.00 C ATOM 651 O HIS A 43 2.898 -2.978 -10.347 1.00 0.00 O ATOM 652 CB HIS A 43 0.350 -3.868 -8.944 1.00 0.00 C ATOM 653 CG HIS A 43 0.331 -4.233 -10.403 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.046 -3.305 -11.392 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.547 -5.420 -11.055 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.092 -3.944 -12.575 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.394 -5.236 -12.427 1.00 0.00 N ATOM 0 H HIS A 43 0.834 -3.501 -6.580 1.00 0.00 H new ATOM 0 HA HIS A 43 2.245 -4.852 -8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.259 -4.572 -8.377 1.00 0.00 H new ATOM 0 HB3 HIS A 43 -0.090 -2.881 -8.803 1.00 0.00 H new ATOM 0 HD2 HIS A 43 0.798 -6.355 -10.577 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.093 -3.470 -13.528 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.492 -5.938 -13.161 1.00 0.00 H new ATOM 665 N LYS A 44 2.993 -1.785 -8.441 1.00 0.00 N ATOM 666 CA LYS A 44 3.783 -0.700 -9.021 1.00 0.00 C ATOM 667 C LYS A 44 5.217 -1.129 -9.295 1.00 0.00 C ATOM 668 O LYS A 44 5.822 -0.725 -10.292 1.00 0.00 O ATOM 669 CB LYS A 44 3.787 0.504 -8.070 1.00 0.00 C ATOM 670 CG LYS A 44 4.634 1.653 -8.635 1.00 0.00 C ATOM 671 CD LYS A 44 4.101 2.080 -10.006 1.00 0.00 C ATOM 672 CE LYS A 44 4.632 3.469 -10.349 1.00 0.00 C ATOM 673 NZ LYS A 44 4.338 3.768 -11.775 1.00 0.00 N ATOM 0 H LYS A 44 2.765 -1.659 -7.455 1.00 0.00 H new ATOM 0 HA LYS A 44 3.323 -0.428 -9.971 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.765 0.847 -7.909 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.179 0.203 -7.099 1.00 0.00 H new ATOM 0 HG2 LYS A 44 4.614 2.500 -7.949 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.674 1.338 -8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 44 4.409 1.363 -10.767 1.00 0.00 H new ATOM 0 HD3 LYS A 44 3.011 2.088 -9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.169 4.217 -9.706 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.706 3.515 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.062 4.414 -12.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 4.344 2.884 -12.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.402 4.215 -11.850 1.00 0.00 H new ATOM 687 N PHE A 45 5.775 -1.911 -8.380 1.00 0.00 N ATOM 688 CA PHE A 45 7.167 -2.353 -8.498 1.00 0.00 C ATOM 689 C PHE A 45 7.264 -3.816 -8.925 1.00 0.00 C ATOM 690 O PHE A 45 8.352 -4.310 -9.216 1.00 0.00 O ATOM 691 CB PHE A 45 7.857 -2.173 -7.138 1.00 0.00 C ATOM 692 CG PHE A 45 7.297 -0.953 -6.428 1.00 0.00 C ATOM 693 CD1 PHE A 45 7.478 0.332 -6.963 1.00 0.00 C ATOM 694 CD2 PHE A 45 6.593 -1.113 -5.225 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.958 1.450 -6.292 1.00 0.00 C ATOM 696 CE2 PHE A 45 6.075 0.001 -4.559 1.00 0.00 C ATOM 697 CZ PHE A 45 6.258 1.282 -5.091 1.00 0.00 C ATOM 0 H PHE A 45 5.291 -2.253 -7.550 1.00 0.00 H new ATOM 0 HA PHE A 45 7.655 -1.751 -9.265 1.00 0.00 H new ATOM 0 HB2 PHE A 45 7.707 -3.061 -6.525 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.932 -2.060 -7.279 1.00 0.00 H new ATOM 0 HD1 PHE A 45 8.017 0.460 -7.890 1.00 0.00 H new ATOM 0 HD2 PHE A 45 6.451 -2.101 -4.812 1.00 0.00 H new ATOM 0 HE1 PHE A 45 7.098 2.439 -6.702 1.00 0.00 H new ATOM 0 HE2 PHE A 45 5.533 -0.127 -3.633 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.859 2.142 -4.575 1.00 0.00 H new ATOM 707 N PHE A 46 6.133 -4.513 -8.931 1.00 0.00 N ATOM 708 CA PHE A 46 6.112 -5.930 -9.293 1.00 0.00 C ATOM 709 C PHE A 46 5.044 -6.225 -10.362 1.00 0.00 C ATOM 710 O PHE A 46 3.887 -6.445 -10.023 1.00 0.00 O ATOM 711 CB PHE A 46 5.817 -6.717 -8.019 1.00 0.00 C ATOM 712 CG PHE A 46 6.885 -6.396 -7.009 1.00 0.00 C ATOM 713 CD1 PHE A 46 8.139 -7.002 -7.111 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.631 -5.486 -5.978 1.00 0.00 C ATOM 715 CE1 PHE A 46 9.139 -6.702 -6.183 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.629 -5.183 -5.049 1.00 0.00 C ATOM 717 CZ PHE A 46 8.881 -5.792 -5.151 1.00 0.00 C ATOM 0 H PHE A 46 5.221 -4.124 -8.691 1.00 0.00 H new ATOM 0 HA PHE A 46 7.073 -6.218 -9.720 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.834 -6.454 -7.629 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.801 -7.787 -8.228 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.336 -7.703 -7.908 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.661 -5.017 -5.900 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.109 -7.171 -6.261 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.433 -4.479 -4.254 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.653 -5.560 -4.432 1.00 0.00 H new ATOM 727 N PRO A 47 5.390 -6.239 -11.644 1.00 0.00 N ATOM 728 CA PRO A 47 4.398 -6.519 -12.728 1.00 0.00 C ATOM 729 C PRO A 47 4.054 -8.008 -12.803 1.00 0.00 C ATOM 730 O PRO A 47 2.913 -8.383 -13.073 1.00 0.00 O ATOM 731 CB PRO A 47 5.091 -6.049 -14.031 1.00 0.00 C ATOM 732 CG PRO A 47 6.443 -5.517 -13.631 1.00 0.00 C ATOM 733 CD PRO A 47 6.729 -5.998 -12.206 1.00 0.00 C ATOM 0 HA PRO A 47 3.453 -6.004 -12.551 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.192 -6.874 -14.736 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.502 -5.277 -14.527 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.212 -5.873 -14.316 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.454 -4.428 -13.677 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.334 -6.905 -12.203 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.275 -5.249 -11.633 1.00 0.00 H new ATOM 741 N GLU A 48 5.056 -8.844 -12.554 1.00 0.00 N ATOM 742 CA GLU A 48 4.858 -10.284 -12.586 1.00 0.00 C ATOM 743 C GLU A 48 3.990 -10.686 -11.406 1.00 0.00 C ATOM 744 O GLU A 48 3.657 -11.859 -11.217 1.00 0.00 O ATOM 745 CB GLU A 48 6.217 -10.999 -12.529 1.00 0.00 C ATOM 746 CG GLU A 48 6.977 -10.771 -13.845 1.00 0.00 C ATOM 747 CD GLU A 48 7.577 -9.368 -13.872 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.190 -8.990 -12.888 1.00 0.00 O ATOM 749 OE2 GLU A 48 7.410 -8.693 -14.874 1.00 0.00 O ATOM 0 H GLU A 48 6.006 -8.550 -12.329 1.00 0.00 H new ATOM 0 HA GLU A 48 4.360 -10.573 -13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.802 -10.623 -11.690 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.071 -12.066 -12.362 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.767 -11.514 -13.950 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.302 -10.902 -14.691 1.00 0.00 H new ATOM 756 N ALA A 49 3.640 -9.679 -10.613 1.00 0.00 N ATOM 757 CA ALA A 49 2.815 -9.873 -9.420 1.00 0.00 C ATOM 758 C ALA A 49 1.451 -10.431 -9.762 1.00 0.00 C ATOM 759 O ALA A 49 1.177 -11.617 -9.570 1.00 0.00 O ATOM 760 CB ALA A 49 2.613 -8.532 -8.721 1.00 0.00 C ATOM 0 H ALA A 49 3.917 -8.711 -10.775 1.00 0.00 H new ATOM 0 HA ALA A 49 3.334 -10.583 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 49 1.999 -8.674 -7.832 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.581 -8.123 -8.432 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.115 -7.839 -9.399 1.00 0.00 H new ATOM 766 N PHE A 50 0.608 -9.562 -10.281 1.00 0.00 N ATOM 767 CA PHE A 50 -0.736 -9.933 -10.669 1.00 0.00 C ATOM 768 C PHE A 50 -1.351 -8.823 -11.514 1.00 0.00 C ATOM 769 O PHE A 50 -0.905 -7.679 -11.472 1.00 0.00 O ATOM 770 CB PHE A 50 -1.600 -10.176 -9.428 1.00 0.00 C ATOM 771 CG PHE A 50 -1.367 -9.073 -8.416 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.958 -7.816 -8.597 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.561 -9.311 -7.292 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.743 -6.798 -7.656 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.348 -8.294 -6.352 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.938 -7.037 -6.535 1.00 0.00 C ATOM 0 H PHE A 50 0.835 -8.581 -10.445 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.693 -10.853 -11.253 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.653 -10.209 -9.708 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.357 -11.143 -8.988 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.579 -7.631 -9.461 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.104 -10.280 -7.151 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.199 -5.829 -7.796 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.271 -8.479 -5.487 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.772 -6.252 -5.812 1.00 0.00 H new ATOM 786 N ASP A 51 -2.391 -9.168 -12.252 1.00 0.00 N ATOM 787 CA ASP A 51 -3.084 -8.189 -13.082 1.00 0.00 C ATOM 788 C ASP A 51 -4.095 -7.435 -12.227 1.00 0.00 C ATOM 789 O ASP A 51 -5.230 -7.881 -12.044 1.00 0.00 O ATOM 790 CB ASP A 51 -3.803 -8.889 -14.237 1.00 0.00 C ATOM 791 CG ASP A 51 -2.787 -9.485 -15.206 1.00 0.00 C ATOM 792 OD1 ASP A 51 -1.660 -9.025 -15.211 1.00 0.00 O ATOM 793 OD2 ASP A 51 -3.158 -10.395 -15.933 1.00 0.00 O ATOM 0 H ASP A 51 -2.775 -10.112 -12.296 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.358 -7.490 -13.496 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.451 -9.675 -13.849 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -4.443 -8.179 -14.761 1.00 0.00 H new ATOM 798 N TYR A 52 -3.677 -6.294 -11.686 1.00 0.00 N ATOM 799 CA TYR A 52 -4.545 -5.487 -10.832 1.00 0.00 C ATOM 800 C TYR A 52 -5.787 -5.051 -11.581 1.00 0.00 C ATOM 801 O TYR A 52 -6.806 -4.722 -10.975 1.00 0.00 O ATOM 802 CB TYR A 52 -3.793 -4.242 -10.364 1.00 0.00 C ATOM 803 CG TYR A 52 -4.731 -3.314 -9.616 1.00 0.00 C ATOM 804 CD1 TYR A 52 -4.929 -3.475 -8.241 1.00 0.00 C ATOM 805 CD2 TYR A 52 -5.406 -2.299 -10.306 1.00 0.00 C ATOM 806 CE1 TYR A 52 -5.800 -2.622 -7.554 1.00 0.00 C ATOM 807 CE2 TYR A 52 -6.279 -1.444 -9.617 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.477 -1.607 -8.242 1.00 0.00 C ATOM 809 OH TYR A 52 -7.335 -0.765 -7.563 1.00 0.00 O ATOM 0 H TYR A 52 -2.743 -5.907 -11.823 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.840 -6.096 -9.977 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.964 -4.530 -9.718 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.364 -3.724 -11.221 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -4.409 -4.258 -7.709 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -5.254 -2.175 -11.368 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.950 -2.746 -6.492 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -6.798 -0.660 -10.148 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.840 -0.225 -8.206 1.00 0.00 H new ATOM 819 N ALA A 53 -5.701 -5.052 -12.896 1.00 0.00 N ATOM 820 CA ALA A 53 -6.825 -4.655 -13.723 1.00 0.00 C ATOM 821 C ALA A 53 -7.813 -5.806 -13.867 1.00 0.00 C ATOM 822 O ALA A 53 -8.903 -5.632 -14.415 1.00 0.00 O ATOM 823 CB ALA A 53 -6.324 -4.228 -15.101 1.00 0.00 C ATOM 0 H ALA A 53 -4.866 -5.323 -13.415 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.333 -3.817 -13.246 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.171 -3.930 -15.720 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.639 -3.387 -14.995 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.804 -5.062 -15.574 1.00 0.00 H new ATOM 829 N GLU A 54 -7.419 -6.987 -13.392 1.00 0.00 N ATOM 830 CA GLU A 54 -8.265 -8.172 -13.490 1.00 0.00 C ATOM 831 C GLU A 54 -8.942 -8.453 -12.157 1.00 0.00 C ATOM 832 O GLU A 54 -9.884 -9.236 -12.086 1.00 0.00 O ATOM 833 CB GLU A 54 -7.385 -9.366 -13.867 1.00 0.00 C ATOM 834 CG GLU A 54 -8.197 -10.393 -14.663 1.00 0.00 C ATOM 835 CD GLU A 54 -8.491 -9.851 -16.057 1.00 0.00 C ATOM 836 OE1 GLU A 54 -7.961 -8.800 -16.387 1.00 0.00 O ATOM 837 OE2 GLU A 54 -9.238 -10.491 -16.778 1.00 0.00 O ATOM 0 H GLU A 54 -6.520 -7.147 -12.936 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.034 -8.006 -14.245 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.534 -9.027 -14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.983 -9.829 -12.966 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.644 -11.329 -14.736 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.130 -10.613 -14.144 1.00 0.00 H new ATOM 844 N LEU A 55 -8.447 -7.822 -11.098 1.00 0.00 N ATOM 845 CA LEU A 55 -9.003 -8.025 -9.772 1.00 0.00 C ATOM 846 C LEU A 55 -10.340 -7.316 -9.628 1.00 0.00 C ATOM 847 O LEU A 55 -10.589 -6.296 -10.272 1.00 0.00 O ATOM 848 CB LEU A 55 -8.011 -7.491 -8.744 1.00 0.00 C ATOM 849 CG LEU A 55 -6.747 -8.374 -8.741 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.617 -7.690 -7.939 1.00 0.00 C ATOM 851 CD2 LEU A 55 -7.062 -9.759 -8.125 1.00 0.00 C ATOM 0 H LEU A 55 -7.665 -7.169 -11.135 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.174 -9.089 -9.611 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.747 -6.460 -8.980 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.466 -7.485 -7.753 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.418 -8.510 -9.771 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.731 -8.325 -7.945 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.378 -6.729 -8.394 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.944 -7.533 -6.911 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.161 -10.372 -8.129 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.409 -9.631 -7.100 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.838 -10.250 -8.712 1.00 0.00 H new ATOM 863 N ASP A 56 -11.202 -7.877 -8.782 1.00 0.00 N ATOM 864 CA ASP A 56 -12.533 -7.322 -8.549 1.00 0.00 C ATOM 865 C ASP A 56 -12.655 -6.835 -7.092 1.00 0.00 C ATOM 866 O ASP A 56 -11.839 -7.206 -6.243 1.00 0.00 O ATOM 867 CB ASP A 56 -13.585 -8.413 -8.836 1.00 0.00 C ATOM 868 CG ASP A 56 -14.000 -8.387 -10.300 1.00 0.00 C ATOM 869 OD1 ASP A 56 -13.124 -8.305 -11.142 1.00 0.00 O ATOM 870 OD2 ASP A 56 -15.191 -8.456 -10.553 1.00 0.00 O ATOM 0 H ASP A 56 -11.000 -8.720 -8.244 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.698 -6.472 -9.210 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.178 -9.393 -8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.458 -8.259 -8.202 1.00 0.00 H new ATOM 875 N PRO A 57 -13.655 -6.036 -6.778 1.00 0.00 N ATOM 876 CA PRO A 57 -13.859 -5.528 -5.393 1.00 0.00 C ATOM 877 C PRO A 57 -14.402 -6.642 -4.501 1.00 0.00 C ATOM 878 O PRO A 57 -14.243 -6.619 -3.281 1.00 0.00 O ATOM 879 CB PRO A 57 -14.886 -4.377 -5.535 1.00 0.00 C ATOM 880 CG PRO A 57 -15.223 -4.276 -7.002 1.00 0.00 C ATOM 881 CD PRO A 57 -14.699 -5.539 -7.685 1.00 0.00 C ATOM 0 HA PRO A 57 -12.933 -5.184 -4.933 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -15.780 -4.581 -4.946 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.469 -3.439 -5.168 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.300 -4.184 -7.142 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -14.768 -3.387 -7.439 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -15.491 -6.275 -7.821 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -14.295 -5.319 -8.673 1.00 0.00 H new ATOM 889 N ALA A 58 -15.048 -7.610 -5.140 1.00 0.00 N ATOM 890 CA ALA A 58 -15.624 -8.739 -4.431 1.00 0.00 C ATOM 891 C ALA A 58 -14.525 -9.600 -3.824 1.00 0.00 C ATOM 892 O ALA A 58 -14.631 -10.058 -2.686 1.00 0.00 O ATOM 893 CB ALA A 58 -16.443 -9.585 -5.408 1.00 0.00 C ATOM 0 H ALA A 58 -15.185 -7.633 -6.151 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.264 -8.365 -3.632 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.877 -10.434 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.241 -8.977 -5.835 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.796 -9.948 -6.206 1.00 0.00 H new ATOM 899 N LYS A 59 -13.476 -9.813 -4.609 1.00 0.00 N ATOM 900 CA LYS A 59 -12.338 -10.626 -4.187 1.00 0.00 C ATOM 901 C LYS A 59 -11.379 -9.833 -3.299 1.00 0.00 C ATOM 902 O LYS A 59 -10.177 -9.793 -3.554 1.00 0.00 O ATOM 903 CB LYS A 59 -11.589 -11.127 -5.431 1.00 0.00 C ATOM 904 CG LYS A 59 -12.431 -12.185 -6.164 1.00 0.00 C ATOM 905 CD LYS A 59 -11.705 -12.643 -7.439 1.00 0.00 C ATOM 906 CE LYS A 59 -12.585 -13.635 -8.204 1.00 0.00 C ATOM 907 NZ LYS A 59 -12.694 -14.899 -7.423 1.00 0.00 N ATOM 0 H LYS A 59 -13.388 -9.431 -5.551 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.715 -11.467 -3.605 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -11.378 -10.292 -6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.629 -11.553 -5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.608 -13.039 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -13.407 -11.772 -6.420 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.477 -11.783 -8.069 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -10.754 -13.109 -7.180 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.575 -13.209 -8.369 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.157 -13.836 -9.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.066 -15.654 -8.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.754 -15.171 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.338 -14.756 -6.619 1.00 0.00 H new ATOM 921 N ARG A 60 -11.915 -9.199 -2.258 1.00 0.00 N ATOM 922 CA ARG A 60 -11.089 -8.405 -1.344 1.00 0.00 C ATOM 923 C ARG A 60 -10.210 -9.288 -0.450 1.00 0.00 C ATOM 924 O ARG A 60 -9.031 -8.999 -0.258 1.00 0.00 O ATOM 925 CB ARG A 60 -11.993 -7.519 -0.484 1.00 0.00 C ATOM 926 CG ARG A 60 -12.890 -8.404 0.382 1.00 0.00 C ATOM 927 CD ARG A 60 -13.949 -7.545 1.070 1.00 0.00 C ATOM 928 NE ARG A 60 -14.769 -8.377 1.952 1.00 0.00 N ATOM 929 CZ ARG A 60 -16.014 -8.713 1.625 1.00 0.00 C ATOM 930 NH1 ARG A 60 -16.253 -9.282 0.474 1.00 0.00 N ATOM 931 NH2 ARG A 60 -16.991 -8.473 2.451 1.00 0.00 N ATOM 0 H ARG A 60 -12.908 -9.217 -2.026 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.421 -7.786 -1.943 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -11.389 -6.866 0.146 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -12.602 -6.875 -1.119 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -13.369 -9.166 -0.233 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -12.291 -8.927 1.128 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -13.470 -6.753 1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.579 -7.061 0.323 1.00 0.00 H new ATOM 0 HE ARG A 60 -14.378 -8.706 2.835 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.486 -9.468 -0.172 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -17.207 -9.541 0.221 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -16.802 -8.027 3.349 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -17.946 -8.731 2.200 1.00 0.00 H new ATOM 945 N ARG A 61 -10.785 -10.346 0.109 1.00 0.00 N ATOM 946 CA ARG A 61 -10.021 -11.223 0.996 1.00 0.00 C ATOM 947 C ARG A 61 -8.750 -11.687 0.300 1.00 0.00 C ATOM 948 O ARG A 61 -7.659 -11.656 0.872 1.00 0.00 O ATOM 949 CB ARG A 61 -10.854 -12.448 1.345 1.00 0.00 C ATOM 950 CG ARG A 61 -12.103 -12.023 2.114 1.00 0.00 C ATOM 951 CD ARG A 61 -12.865 -13.267 2.572 1.00 0.00 C ATOM 952 NE ARG A 61 -13.336 -14.028 1.418 1.00 0.00 N ATOM 953 CZ ARG A 61 -14.506 -13.759 0.845 1.00 0.00 C ATOM 954 NH1 ARG A 61 -14.706 -12.600 0.280 1.00 0.00 N ATOM 955 NH2 ARG A 61 -15.456 -14.654 0.852 1.00 0.00 N ATOM 0 H ARG A 61 -11.759 -10.617 -0.030 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.767 -10.670 1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -11.138 -12.977 0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.264 -13.141 1.945 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -11.824 -11.416 2.975 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.740 -11.405 1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.218 -13.891 3.188 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -13.712 -12.975 3.193 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.757 -14.780 1.044 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -13.965 -11.899 0.277 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -15.603 -12.395 -0.159 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -15.301 -15.559 1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -16.353 -14.449 0.413 1.00 0.00 H new ATOM 969 N HIS A 62 -8.912 -12.111 -0.943 1.00 0.00 N ATOM 970 CA HIS A 62 -7.797 -12.575 -1.743 1.00 0.00 C ATOM 971 C HIS A 62 -6.841 -11.427 -2.053 1.00 0.00 C ATOM 972 O HIS A 62 -5.634 -11.625 -2.150 1.00 0.00 O ATOM 973 CB HIS A 62 -8.328 -13.172 -3.043 1.00 0.00 C ATOM 974 CG HIS A 62 -8.919 -14.531 -2.773 1.00 0.00 C ATOM 975 ND1 HIS A 62 -9.334 -15.373 -3.793 1.00 0.00 N ATOM 976 CD2 HIS A 62 -9.177 -15.205 -1.603 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.814 -16.494 -3.223 1.00 0.00 C ATOM 978 NE2 HIS A 62 -9.741 -16.444 -1.890 1.00 0.00 N ATOM 0 H HIS A 62 -9.813 -12.142 -1.420 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.250 -13.334 -1.183 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.084 -12.515 -3.474 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.523 -13.253 -3.773 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -8.973 -14.830 -0.611 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -10.210 -17.333 -3.776 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -10.035 -17.160 -1.226 1.00 0.00 H new ATOM 986 N ASN A 63 -7.392 -10.229 -2.205 1.00 0.00 N ATOM 987 CA ASN A 63 -6.586 -9.043 -2.507 1.00 0.00 C ATOM 988 C ASN A 63 -5.614 -8.762 -1.380 1.00 0.00 C ATOM 989 O ASN A 63 -4.452 -8.429 -1.612 1.00 0.00 O ATOM 990 CB ASN A 63 -7.505 -7.834 -2.685 1.00 0.00 C ATOM 991 CG ASN A 63 -6.754 -6.653 -3.298 1.00 0.00 C ATOM 992 OD1 ASN A 63 -6.074 -5.907 -2.593 1.00 0.00 O ATOM 993 ND2 ASN A 63 -6.855 -6.427 -4.578 1.00 0.00 N ATOM 0 H ASN A 63 -8.393 -10.049 -2.125 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.026 -9.227 -3.424 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.346 -8.104 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.919 -7.543 -1.719 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.371 -5.632 -4.995 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.418 -7.045 -5.162 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.086 -8.909 -0.155 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.223 -8.671 0.990 1.00 0.00 C ATOM 1002 C PHE A 64 -4.157 -9.762 1.068 1.00 0.00 C ATOM 1003 O PHE A 64 -2.962 -9.471 1.113 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.049 -8.631 2.284 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.767 -7.298 2.404 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.055 -6.149 2.780 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.140 -7.208 2.140 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.714 -4.918 2.890 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.798 -5.977 2.253 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.085 -4.832 2.626 1.00 0.00 C ATOM 0 H PHE A 64 -7.041 -9.186 0.071 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.732 -7.706 0.870 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.774 -9.445 2.287 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.398 -8.781 3.145 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -4.997 -6.214 2.985 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.692 -8.090 1.849 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.163 -4.035 3.179 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.857 -5.911 2.052 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.593 -3.883 2.710 1.00 0.00 H new ATOM 1020 N THR A 65 -4.593 -11.017 1.064 1.00 0.00 N ATOM 1021 CA THR A 65 -3.650 -12.128 1.131 1.00 0.00 C ATOM 1022 C THR A 65 -2.657 -12.025 -0.014 1.00 0.00 C ATOM 1023 O THR A 65 -1.459 -12.234 0.166 1.00 0.00 O ATOM 1024 CB THR A 65 -4.379 -13.472 1.036 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.481 -13.486 1.935 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.408 -14.602 1.393 1.00 0.00 C ATOM 0 H THR A 65 -5.575 -11.288 1.016 1.00 0.00 H new ATOM 0 HA THR A 65 -3.130 -12.075 2.087 1.00 0.00 H new ATOM 0 HB THR A 65 -4.746 -13.614 0.020 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.244 -13.027 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.924 -15.560 1.326 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.568 -14.593 0.698 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.040 -14.458 2.409 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.176 -11.709 -1.189 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.351 -11.584 -2.379 1.00 0.00 C ATOM 1036 C LEU A 66 -1.309 -10.490 -2.210 1.00 0.00 C ATOM 1037 O LEU A 66 -0.137 -10.695 -2.522 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.257 -11.242 -3.562 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.453 -11.058 -4.855 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.871 -12.402 -5.311 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.398 -10.517 -5.928 1.00 0.00 C ATOM 0 H LEU A 66 -4.169 -11.534 -1.344 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.829 -12.526 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.992 -12.035 -3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.811 -10.329 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.629 -10.364 -4.686 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.302 -12.259 -6.230 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.214 -12.796 -4.535 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.682 -13.107 -5.492 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.849 -10.377 -6.859 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.210 -11.226 -6.088 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.809 -9.562 -5.602 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.739 -9.332 -1.741 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.811 -8.232 -1.568 1.00 0.00 C ATOM 1055 C ALA A 67 0.286 -8.628 -0.603 1.00 0.00 C ATOM 1056 O ALA A 67 1.451 -8.264 -0.778 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.540 -7.007 -1.036 1.00 0.00 C ATOM 0 H ALA A 67 -2.704 -9.132 -1.478 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.371 -7.992 -2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.832 -6.188 -0.911 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.316 -6.711 -1.742 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.995 -7.244 -0.074 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.091 -9.387 0.415 1.00 0.00 N ATOM 1064 CA PHE A 68 0.871 -9.829 1.409 1.00 0.00 C ATOM 1065 C PHE A 68 1.631 -11.062 0.924 1.00 0.00 C ATOM 1066 O PHE A 68 2.861 -11.081 0.948 1.00 0.00 O ATOM 1067 CB PHE A 68 0.153 -10.122 2.736 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.524 -8.860 3.259 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.227 -7.699 3.494 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -1.909 -8.852 3.517 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.397 -6.542 3.982 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.527 -7.694 4.005 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.774 -6.540 4.237 1.00 0.00 C ATOM 0 H PHE A 68 -1.047 -9.706 0.573 1.00 0.00 H new ATOM 0 HA PHE A 68 1.597 -9.032 1.568 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.589 -10.908 2.591 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.868 -10.491 3.471 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.289 -7.696 3.298 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.495 -9.741 3.338 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.186 -5.651 4.162 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.589 -7.693 4.203 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.253 -5.648 4.612 1.00 0.00 H new ATOM 1083 N SER A 69 0.909 -12.083 0.481 1.00 0.00 N ATOM 1084 CA SER A 69 1.554 -13.298 -0.002 1.00 0.00 C ATOM 1085 C SER A 69 2.455 -12.995 -1.197 1.00 0.00 C ATOM 1086 O SER A 69 3.477 -13.658 -1.402 1.00 0.00 O ATOM 1087 CB SER A 69 0.506 -14.335 -0.411 1.00 0.00 C ATOM 1088 OG SER A 69 -0.235 -13.846 -1.518 1.00 0.00 O ATOM 0 H SER A 69 -0.110 -12.096 0.446 1.00 0.00 H new ATOM 0 HA SER A 69 2.161 -13.698 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 69 0.992 -15.276 -0.671 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.162 -14.542 0.425 1.00 0.00 H new ATOM 0 HG SER A 69 -0.714 -13.032 -1.257 1.00 0.00 H new ATOM 1094 N THR A 70 2.093 -11.971 -1.974 1.00 0.00 N ATOM 1095 CA THR A 70 2.912 -11.591 -3.116 1.00 0.00 C ATOM 1096 C THR A 70 4.145 -10.827 -2.653 1.00 0.00 C ATOM 1097 O THR A 70 5.266 -11.140 -3.050 1.00 0.00 O ATOM 1098 CB THR A 70 2.113 -10.734 -4.100 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.000 -11.477 -4.583 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.014 -10.345 -5.273 1.00 0.00 C ATOM 0 H THR A 70 1.257 -11.404 -1.834 1.00 0.00 H new ATOM 0 HA THR A 70 3.225 -12.503 -3.623 1.00 0.00 H new ATOM 0 HB THR A 70 1.756 -9.835 -3.597 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.207 -11.261 -4.050 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.450 -9.734 -5.978 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.868 -9.778 -4.903 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.367 -11.246 -5.775 1.00 0.00 H new ATOM 1108 N ALA A 71 3.930 -9.826 -1.805 1.00 0.00 N ATOM 1109 CA ALA A 71 5.039 -9.028 -1.292 1.00 0.00 C ATOM 1110 C ALA A 71 5.983 -9.885 -0.454 1.00 0.00 C ATOM 1111 O ALA A 71 7.182 -9.616 -0.388 1.00 0.00 O ATOM 1112 CB ALA A 71 4.513 -7.873 -0.442 1.00 0.00 C ATOM 0 H ALA A 71 3.010 -9.550 -1.462 1.00 0.00 H new ATOM 0 HA ALA A 71 5.588 -8.629 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.351 -7.287 -0.066 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.869 -7.237 -1.050 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.942 -8.270 0.398 1.00 0.00 H new ATOM 1118 N GLU A 72 5.443 -10.922 0.185 1.00 0.00 N ATOM 1119 CA GLU A 72 6.266 -11.798 1.006 1.00 0.00 C ATOM 1120 C GLU A 72 7.192 -12.637 0.131 1.00 0.00 C ATOM 1121 O GLU A 72 8.402 -12.680 0.346 1.00 0.00 O ATOM 1122 CB GLU A 72 5.379 -12.718 1.855 1.00 0.00 C ATOM 1123 CG GLU A 72 6.258 -13.605 2.746 1.00 0.00 C ATOM 1124 CD GLU A 72 5.384 -14.449 3.669 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.829 -15.427 3.201 1.00 0.00 O ATOM 1126 OE2 GLU A 72 5.289 -14.106 4.839 1.00 0.00 O ATOM 0 H GLU A 72 4.454 -11.171 0.149 1.00 0.00 H new ATOM 0 HA GLU A 72 6.873 -11.179 1.667 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.705 -12.122 2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.757 -13.338 1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.879 -14.253 2.128 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.933 -12.986 3.337 1.00 0.00 H new ATOM 1133 N LYS A 73 6.632 -13.318 -0.853 1.00 0.00 N ATOM 1134 CA LYS A 73 7.456 -14.150 -1.711 1.00 0.00 C ATOM 1135 C LYS A 73 8.495 -13.304 -2.458 1.00 0.00 C ATOM 1136 O LYS A 73 9.623 -13.745 -2.688 1.00 0.00 O ATOM 1137 CB LYS A 73 6.581 -14.909 -2.720 1.00 0.00 C ATOM 1138 CG LYS A 73 5.710 -15.962 -2.000 1.00 0.00 C ATOM 1139 CD LYS A 73 4.984 -16.842 -3.030 1.00 0.00 C ATOM 1140 CE LYS A 73 3.929 -16.023 -3.769 1.00 0.00 C ATOM 1141 NZ LYS A 73 3.009 -16.941 -4.499 1.00 0.00 N ATOM 0 H LYS A 73 5.636 -13.313 -1.075 1.00 0.00 H new ATOM 0 HA LYS A 73 7.980 -14.869 -1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.943 -14.207 -3.257 1.00 0.00 H new ATOM 0 HB3 LYS A 73 7.212 -15.397 -3.462 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.334 -16.582 -1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 73 4.983 -15.466 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.702 -17.251 -3.741 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.514 -17.688 -2.530 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.366 -15.413 -3.063 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.409 -15.339 -4.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 2.290 -16.384 -5.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.552 -17.505 -5.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.542 -17.576 -3.821 1.00 0.00 H new ATOM 1155 N LEU A 74 8.097 -12.099 -2.859 1.00 0.00 N ATOM 1156 CA LEU A 74 8.977 -11.209 -3.604 1.00 0.00 C ATOM 1157 C LEU A 74 9.963 -10.462 -2.699 1.00 0.00 C ATOM 1158 O LEU A 74 11.139 -10.343 -3.043 1.00 0.00 O ATOM 1159 CB LEU A 74 8.137 -10.192 -4.387 1.00 0.00 C ATOM 1160 CG LEU A 74 7.327 -10.903 -5.486 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.373 -9.897 -6.144 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.268 -11.492 -6.555 1.00 0.00 C ATOM 0 H LEU A 74 7.168 -11.718 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 74 9.561 -11.829 -4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.462 -9.668 -3.709 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.787 -9.440 -4.834 1.00 0.00 H new ATOM 0 HG LEU A 74 6.758 -11.716 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.798 -10.397 -6.923 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.693 -9.495 -5.393 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.949 -9.083 -6.584 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.678 -11.991 -7.324 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.851 -10.690 -7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.941 -12.212 -6.090 1.00 0.00 H new ATOM 1174 N ALA A 75 9.494 -9.919 -1.564 1.00 0.00 N ATOM 1175 CA ALA A 75 10.383 -9.149 -0.682 1.00 0.00 C ATOM 1176 C ALA A 75 10.374 -9.652 0.757 1.00 0.00 C ATOM 1177 O ALA A 75 11.006 -9.046 1.622 1.00 0.00 O ATOM 1178 CB ALA A 75 9.958 -7.679 -0.704 1.00 0.00 C ATOM 0 H ALA A 75 8.529 -9.996 -1.242 1.00 0.00 H new ATOM 0 HA ALA A 75 11.398 -9.271 -1.059 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.613 -7.101 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 75 10.029 -7.295 -1.722 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.929 -7.592 -0.354 1.00 0.00 H new ATOM 1184 N ASP A 76 9.685 -10.757 1.028 1.00 0.00 N ATOM 1185 CA ASP A 76 9.660 -11.283 2.392 1.00 0.00 C ATOM 1186 C ASP A 76 9.374 -10.153 3.380 1.00 0.00 C ATOM 1187 O ASP A 76 9.890 -10.137 4.496 1.00 0.00 O ATOM 1188 CB ASP A 76 11.007 -11.923 2.707 1.00 0.00 C ATOM 1189 CG ASP A 76 10.918 -12.733 3.993 1.00 0.00 C ATOM 1190 OD1 ASP A 76 9.893 -13.356 4.208 1.00 0.00 O ATOM 1191 OD2 ASP A 76 11.880 -12.718 4.745 1.00 0.00 O ATOM 0 H ASP A 76 9.151 -11.293 0.345 1.00 0.00 H new ATOM 0 HA ASP A 76 8.873 -12.032 2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.313 -12.568 1.883 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.770 -11.151 2.807 1.00 0.00 H new ATOM 1196 N CYS A 77 8.560 -9.204 2.928 1.00 0.00 N ATOM 1197 CA CYS A 77 8.193 -8.037 3.730 1.00 0.00 C ATOM 1198 C CYS A 77 7.736 -8.414 5.144 1.00 0.00 C ATOM 1199 O CYS A 77 7.932 -9.539 5.605 1.00 0.00 O ATOM 1200 CB CYS A 77 7.074 -7.275 3.012 1.00 0.00 C ATOM 1201 SG CYS A 77 7.089 -5.540 3.531 1.00 0.00 S ATOM 0 H CYS A 77 8.137 -9.220 2.000 1.00 0.00 H new ATOM 0 HA CYS A 77 9.080 -7.413 3.838 1.00 0.00 H new ATOM 0 HB2 CYS A 77 7.209 -7.343 1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.108 -7.725 3.242 1.00 0.00 H new ATOM 0 HG CYS A 77 8.003 -5.367 4.439 1.00 0.00 H new ATOM 1207 N ALA A 78 7.115 -7.444 5.813 1.00 0.00 N ATOM 1208 CA ALA A 78 6.609 -7.633 7.169 1.00 0.00 C ATOM 1209 C ALA A 78 5.215 -8.256 7.134 1.00 0.00 C ATOM 1210 O ALA A 78 4.601 -8.358 6.074 1.00 0.00 O ATOM 1211 CB ALA A 78 6.551 -6.279 7.889 1.00 0.00 C ATOM 0 H ALA A 78 6.950 -6.512 5.433 1.00 0.00 H new ATOM 0 HA ALA A 78 7.280 -8.304 7.705 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.173 -6.421 8.901 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.551 -5.847 7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.888 -5.606 7.345 1.00 0.00 H new ATOM 1217 N GLN A 79 4.723 -8.672 8.300 1.00 0.00 N ATOM 1218 CA GLN A 79 3.397 -9.289 8.406 1.00 0.00 C ATOM 1219 C GLN A 79 2.614 -8.646 9.548 1.00 0.00 C ATOM 1220 O GLN A 79 1.968 -9.338 10.331 1.00 0.00 O ATOM 1221 CB GLN A 79 3.550 -10.785 8.674 1.00 0.00 C ATOM 1222 CG GLN A 79 4.073 -11.471 7.415 1.00 0.00 C ATOM 1223 CD GLN A 79 4.321 -12.951 7.688 1.00 0.00 C ATOM 1224 OE1 GLN A 79 5.434 -13.503 7.287 1.00 0.00 O flip ATOM 1225 NE2 GLN A 79 3.477 -13.623 8.280 1.00 0.00 N flip ATOM 0 H GLN A 79 5.221 -8.594 9.187 1.00 0.00 H new ATOM 0 HA GLN A 79 2.857 -9.138 7.471 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.237 -10.949 9.504 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.591 -11.214 8.965 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.353 -11.359 6.605 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.997 -10.994 7.089 1.00 0.00 H new ATOM 0 HE21 GLN A 79 2.608 -13.190 8.593 1.00 0.00 H new ATOM 0 HE22 GLN A 79 3.647 -14.613 8.458 1.00 0.00 H new ATOM 1234 N LEU A 80 2.707 -7.326 9.647 1.00 0.00 N ATOM 1235 CA LEU A 80 2.030 -6.598 10.719 1.00 0.00 C ATOM 1236 C LEU A 80 0.506 -6.624 10.538 1.00 0.00 C ATOM 1237 O LEU A 80 -0.236 -6.438 11.503 1.00 0.00 O ATOM 1238 CB LEU A 80 2.489 -5.131 10.744 1.00 0.00 C ATOM 1239 CG LEU A 80 3.992 -5.015 10.481 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.403 -3.553 10.634 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.783 -5.860 11.472 1.00 0.00 C ATOM 0 H LEU A 80 3.240 -6.739 9.005 1.00 0.00 H new ATOM 0 HA LEU A 80 2.289 -7.091 11.656 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.941 -4.563 9.992 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.252 -4.690 11.712 1.00 0.00 H new ATOM 0 HG LEU A 80 4.204 -5.373 9.473 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.473 -3.455 10.449 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.853 -2.944 9.917 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.177 -3.215 11.645 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.849 -5.761 11.265 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.577 -5.519 12.487 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.490 -6.905 11.374 1.00 0.00 H new ATOM 1253 N LEU A 81 0.038 -6.826 9.298 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.418 -6.838 9.014 1.00 0.00 C ATOM 1255 C LEU A 81 -1.921 -8.234 8.651 1.00 0.00 C ATOM 1256 O LEU A 81 -1.251 -8.990 7.946 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.752 -5.886 7.844 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.819 -4.680 7.861 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.106 -3.793 6.650 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.055 -3.875 9.131 1.00 0.00 C ATOM 0 H LEU A 81 0.630 -6.982 8.482 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.914 -6.509 9.927 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.656 -6.416 6.896 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.788 -5.554 7.920 1.00 0.00 H new ATOM 0 HG LEU A 81 0.215 -5.025 7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.438 -2.931 6.664 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.944 -4.363 5.735 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.140 -3.451 6.686 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.389 -3.013 9.144 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.090 -3.534 9.159 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -0.856 -4.501 10.001 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.125 -8.547 9.127 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.763 -9.834 8.855 1.00 0.00 C ATOM 1274 C GLU A 82 -5.026 -9.640 8.021 1.00 0.00 C ATOM 1275 O GLU A 82 -5.888 -8.832 8.347 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.112 -10.517 10.176 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.820 -10.887 10.904 1.00 0.00 C ATOM 1278 CD GLU A 82 -2.091 -11.995 10.149 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -2.701 -13.025 9.915 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -0.938 -11.791 9.806 1.00 0.00 O ATOM 0 H GLU A 82 -3.682 -7.921 9.708 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.071 -10.460 8.292 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.715 -9.853 10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.709 -11.410 9.991 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.178 -10.011 10.989 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.046 -11.216 11.918 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.114 -10.390 6.936 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.253 -10.308 6.032 1.00 0.00 C ATOM 1289 C VAL A 83 -7.572 -10.261 6.799 1.00 0.00 C ATOM 1290 O VAL A 83 -8.410 -9.386 6.573 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.224 -11.550 5.135 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.482 -11.594 4.251 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.938 -11.542 4.277 1.00 0.00 C ATOM 0 H VAL A 83 -4.405 -11.068 6.657 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.184 -9.393 5.444 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.218 -12.446 5.755 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.451 -12.481 3.618 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.370 -11.630 4.883 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.518 -10.702 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.920 -12.426 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.921 -10.647 3.655 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.065 -11.547 4.930 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.761 -11.229 7.676 1.00 0.00 N ATOM 1304 CA ASP A 84 -8.993 -11.319 8.445 1.00 0.00 C ATOM 1305 C ASP A 84 -9.287 -10.013 9.177 1.00 0.00 C ATOM 1306 O ASP A 84 -10.414 -9.512 9.136 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.877 -12.454 9.464 1.00 0.00 C ATOM 1308 CG ASP A 84 -10.168 -12.575 10.262 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -11.035 -11.737 10.079 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -10.274 -13.507 11.040 1.00 0.00 O ATOM 0 H ASP A 84 -7.081 -11.963 7.875 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.811 -11.516 7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.668 -13.393 8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -8.041 -12.265 10.137 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.282 -9.474 9.850 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.464 -8.235 10.589 1.00 0.00 C ATOM 1317 C ASP A 85 -8.823 -7.102 9.640 1.00 0.00 C ATOM 1318 O ASP A 85 -9.706 -6.301 9.918 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.166 -7.898 11.344 1.00 0.00 C ATOM 1320 CG ASP A 85 -6.200 -7.131 10.439 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -6.542 -6.024 10.049 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.148 -7.655 10.146 1.00 0.00 O ATOM 0 H ASP A 85 -7.343 -9.869 9.900 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.279 -8.359 11.302 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -7.397 -7.302 12.227 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -6.694 -8.816 11.694 1.00 0.00 H new ATOM 1327 N MET A 86 -8.120 -7.051 8.516 1.00 0.00 N ATOM 1328 CA MET A 86 -8.373 -6.017 7.528 1.00 0.00 C ATOM 1329 C MET A 86 -9.794 -6.146 7.008 1.00 0.00 C ATOM 1330 O MET A 86 -10.534 -5.166 6.907 1.00 0.00 O ATOM 1331 CB MET A 86 -7.396 -6.179 6.361 1.00 0.00 C ATOM 1332 CG MET A 86 -5.945 -6.000 6.839 1.00 0.00 C ATOM 1333 SD MET A 86 -5.016 -5.070 5.586 1.00 0.00 S ATOM 1334 CE MET A 86 -5.612 -3.422 6.045 1.00 0.00 C ATOM 0 H MET A 86 -7.379 -7.707 8.270 1.00 0.00 H new ATOM 0 HA MET A 86 -8.239 -5.038 7.988 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.518 -7.165 5.912 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.622 -5.446 5.586 1.00 0.00 H new ATOM 0 HG2 MET A 86 -5.926 -5.470 7.791 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.482 -6.972 7.006 1.00 0.00 H new ATOM 0 HE1 MET A 86 -5.916 -2.882 5.148 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.465 -3.518 6.717 1.00 0.00 H new ATOM 0 HE3 MET A 86 -4.815 -2.873 6.546 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.161 -7.374 6.704 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.492 -7.681 6.204 1.00 0.00 C ATOM 1346 C VAL A 87 -12.543 -7.465 7.287 1.00 0.00 C ATOM 1347 O VAL A 87 -13.621 -6.934 7.023 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.528 -9.130 5.716 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -12.958 -9.509 5.314 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.588 -9.277 4.511 1.00 0.00 C ATOM 0 H VAL A 87 -9.551 -8.186 6.795 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.720 -7.011 5.375 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.202 -9.794 6.516 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -12.977 -10.542 4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.618 -9.403 6.175 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.297 -8.852 4.514 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.608 -10.308 4.157 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -10.915 -8.612 3.711 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.572 -9.015 4.808 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.227 -7.884 8.511 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.147 -7.743 9.622 1.00 0.00 C ATOM 1362 C ARG A 88 -13.276 -6.291 10.067 1.00 0.00 C ATOM 1363 O ARG A 88 -14.381 -5.789 10.259 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.631 -8.602 10.788 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.453 -8.326 12.041 1.00 0.00 C ATOM 1366 CD ARG A 88 -13.076 -9.312 13.144 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.809 -8.995 14.365 1.00 0.00 N ATOM 1368 CZ ARG A 88 -13.621 -9.690 15.481 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -12.410 -9.993 15.866 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -14.645 -10.070 16.193 1.00 0.00 N ATOM 0 H ARG A 88 -11.339 -8.323 8.752 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.136 -8.074 9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -12.693 -9.659 10.528 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -11.580 -8.381 10.976 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.280 -7.305 12.381 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -14.516 -8.411 11.814 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -13.303 -10.330 12.827 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -12.003 -9.268 13.332 1.00 0.00 H new ATOM 0 HE ARG A 88 -14.478 -8.225 14.361 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -11.609 -9.696 15.309 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.266 -10.527 16.723 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -15.591 -9.834 15.893 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -14.500 -10.604 17.050 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.141 -5.635 10.256 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.151 -4.253 10.699 1.00 0.00 C ATOM 1386 C LEU A 89 -12.747 -3.358 9.621 1.00 0.00 C ATOM 1387 O LEU A 89 -13.601 -2.514 9.896 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.715 -3.803 10.999 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.152 -4.566 12.214 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.641 -4.307 12.321 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -10.841 -4.102 13.509 1.00 0.00 C ATOM 0 H LEU A 89 -11.213 -6.033 10.111 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.759 -4.175 11.600 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.084 -3.978 10.128 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.697 -2.731 11.195 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.340 -5.631 12.078 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.239 -4.845 13.180 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.147 -4.653 11.413 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.463 -3.239 12.447 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.431 -4.651 14.356 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.669 -3.035 13.651 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -11.912 -4.290 13.439 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.245 -3.523 8.404 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.688 -2.693 7.293 1.00 0.00 C ATOM 1405 C ALA A 90 -12.454 -1.239 7.688 1.00 0.00 C ATOM 1406 O ALA A 90 -13.159 -0.327 7.254 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.173 -2.938 6.987 1.00 0.00 C ATOM 0 H ALA A 90 -11.538 -4.217 8.163 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.129 -2.939 6.390 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.482 -2.307 6.153 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.322 -3.985 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.770 -2.696 7.866 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.435 -1.068 8.529 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.034 0.233 9.043 1.00 0.00 C ATOM 1415 C VAL A 91 -9.595 0.163 9.578 1.00 0.00 C ATOM 1416 O VAL A 91 -9.370 0.381 10.764 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.971 0.662 10.190 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.439 1.960 10.848 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.386 0.912 9.646 1.00 0.00 C ATOM 0 H VAL A 91 -10.862 -1.838 8.874 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.092 0.959 8.232 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.004 -0.135 10.933 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.106 2.257 11.657 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.440 1.783 11.247 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.396 2.754 10.103 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.042 1.215 10.463 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.353 1.702 8.895 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.769 -0.003 9.193 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.622 -0.157 8.748 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.206 -0.253 9.194 1.00 0.00 C ATOM 1431 C PRO A 92 -6.819 0.929 10.077 1.00 0.00 C ATOM 1432 O PRO A 92 -7.631 1.812 10.350 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.377 -0.283 7.889 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.363 -0.186 6.751 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.761 -0.456 7.320 1.00 0.00 C ATOM 0 HA PRO A 92 -7.031 -1.139 9.804 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.669 0.545 7.860 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.795 -1.202 7.820 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.321 0.802 6.292 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.121 -0.910 5.973 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -9.513 0.178 6.850 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.067 -1.489 7.156 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.565 0.941 10.508 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.060 2.020 11.355 1.00 0.00 C ATOM 1445 C ASP A 93 -3.920 2.751 10.657 1.00 0.00 C ATOM 1446 O ASP A 93 -2.994 2.133 10.135 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.589 1.457 12.698 1.00 0.00 C ATOM 1448 CG ASP A 93 -4.396 2.595 13.694 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -4.413 3.735 13.265 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -4.241 2.308 14.871 1.00 0.00 O ATOM 0 H ASP A 93 -4.878 0.220 10.288 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.866 2.731 11.537 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -5.320 0.746 13.081 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -3.654 0.913 12.567 1.00 0.00 H new ATOM 1455 N SER A 94 -4.018 4.075 10.634 1.00 0.00 N ATOM 1456 CA SER A 94 -3.013 4.905 9.978 1.00 0.00 C ATOM 1457 C SER A 94 -1.610 4.515 10.419 1.00 0.00 C ATOM 1458 O SER A 94 -0.660 4.576 9.637 1.00 0.00 O ATOM 1459 CB SER A 94 -3.258 6.375 10.312 1.00 0.00 C ATOM 1460 OG SER A 94 -4.589 6.722 9.956 1.00 0.00 O ATOM 0 H SER A 94 -4.783 4.597 11.062 1.00 0.00 H new ATOM 0 HA SER A 94 -3.095 4.751 8.902 1.00 0.00 H new ATOM 0 HB2 SER A 94 -3.097 6.550 11.376 1.00 0.00 H new ATOM 0 HB3 SER A 94 -2.549 7.005 9.774 1.00 0.00 H new ATOM 0 HG SER A 94 -4.750 7.665 10.171 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.490 4.095 11.665 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.205 3.676 12.191 1.00 0.00 C ATOM 1468 C LYS A 95 0.190 2.325 11.620 1.00 0.00 C ATOM 1469 O LYS A 95 1.363 2.074 11.354 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.273 3.582 13.711 1.00 0.00 C ATOM 1471 CG LYS A 95 1.120 3.291 14.280 1.00 0.00 C ATOM 1472 CD LYS A 95 1.100 3.453 15.807 1.00 0.00 C ATOM 1473 CE LYS A 95 0.437 2.233 16.456 1.00 0.00 C ATOM 1474 NZ LYS A 95 1.106 0.992 15.982 1.00 0.00 N ATOM 0 H LYS A 95 -2.263 4.035 12.328 1.00 0.00 H new ATOM 0 HA LYS A 95 0.543 4.415 11.903 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.656 4.515 14.125 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.967 2.794 14.004 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.427 2.279 14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.851 3.970 13.842 1.00 0.00 H new ATOM 0 HD2 LYS A 95 2.117 3.567 16.182 1.00 0.00 H new ATOM 0 HD3 LYS A 95 0.557 4.359 16.078 1.00 0.00 H new ATOM 0 HE2 LYS A 95 0.506 2.303 17.542 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -0.623 2.206 16.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 1.067 0.270 16.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 0.620 0.638 15.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 2.099 1.199 15.752 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.799 1.454 11.437 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.533 0.127 10.908 1.00 0.00 C ATOM 1490 C CYS A 96 -0.050 0.203 9.465 1.00 0.00 C ATOM 1491 O CYS A 96 0.993 -0.350 9.115 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.802 -0.730 10.974 1.00 0.00 C ATOM 1493 SG CYS A 96 -2.120 -1.225 12.686 1.00 0.00 S ATOM 0 H CYS A 96 -1.779 1.643 11.645 1.00 0.00 H new ATOM 0 HA CYS A 96 0.249 -0.328 11.516 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.651 -0.169 10.584 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.688 -1.613 10.346 1.00 0.00 H new ATOM 0 HG CYS A 96 -3.198 -1.949 12.735 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.814 0.910 8.641 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.462 1.076 7.243 1.00 0.00 C ATOM 1501 C VAL A 97 0.877 1.772 7.153 1.00 0.00 C ATOM 1502 O VAL A 97 1.744 1.393 6.367 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.514 1.931 6.533 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -1.102 2.162 5.080 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.871 1.225 6.581 1.00 0.00 C ATOM 0 H VAL A 97 -1.678 1.375 8.919 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.414 0.097 6.767 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.592 2.894 7.038 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.855 2.771 4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.142 2.677 5.052 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.015 1.203 4.570 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.618 1.837 6.075 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.796 0.258 6.083 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.167 1.077 7.619 1.00 0.00 H new ATOM 1515 N TYR A 98 1.040 2.793 7.975 1.00 0.00 N ATOM 1516 CA TYR A 98 2.274 3.547 7.994 1.00 0.00 C ATOM 1517 C TYR A 98 3.434 2.634 8.349 1.00 0.00 C ATOM 1518 O TYR A 98 4.444 2.600 7.651 1.00 0.00 O ATOM 1519 CB TYR A 98 2.169 4.663 9.040 1.00 0.00 C ATOM 1520 CG TYR A 98 3.514 5.326 9.218 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.459 4.766 10.088 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.819 6.493 8.511 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.709 5.370 10.247 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.073 7.100 8.673 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.014 6.537 9.541 1.00 0.00 C ATOM 1526 OH TYR A 98 7.251 7.131 9.696 1.00 0.00 O ATOM 0 H TYR A 98 0.333 3.116 8.636 1.00 0.00 H new ATOM 0 HA TYR A 98 2.446 3.978 7.008 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.429 5.399 8.726 1.00 0.00 H new ATOM 0 HB3 TYR A 98 1.827 4.252 9.990 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.221 3.866 10.636 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.091 6.926 7.842 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.438 4.936 10.915 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.312 8.001 8.128 1.00 0.00 H new ATOM 0 HH TYR A 98 7.302 7.932 9.134 1.00 0.00 H new ATOM 1536 N THR A 99 3.277 1.890 9.432 1.00 0.00 N ATOM 1537 CA THR A 99 4.323 0.986 9.871 1.00 0.00 C ATOM 1538 C THR A 99 4.648 -0.008 8.769 1.00 0.00 C ATOM 1539 O THR A 99 5.820 -0.281 8.498 1.00 0.00 O ATOM 1540 CB THR A 99 3.885 0.236 11.131 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.376 1.159 12.083 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.082 -0.505 11.729 1.00 0.00 C ATOM 0 H THR A 99 2.442 1.895 10.018 1.00 0.00 H new ATOM 0 HA THR A 99 5.214 1.571 10.101 1.00 0.00 H new ATOM 0 HB THR A 99 3.107 -0.482 10.871 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.397 1.170 12.037 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.768 -1.039 12.626 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.470 -1.217 11.001 1.00 0.00 H new ATOM 0 HG23 THR A 99 5.862 0.212 11.987 1.00 0.00 H new ATOM 1550 N TYR A 100 3.614 -0.535 8.128 1.00 0.00 N ATOM 1551 CA TYR A 100 3.796 -1.490 7.044 1.00 0.00 C ATOM 1552 C TYR A 100 4.537 -0.835 5.886 1.00 0.00 C ATOM 1553 O TYR A 100 5.530 -1.357 5.381 1.00 0.00 O ATOM 1554 CB TYR A 100 2.424 -1.932 6.551 1.00 0.00 C ATOM 1555 CG TYR A 100 2.590 -3.054 5.563 1.00 0.00 C ATOM 1556 CD1 TYR A 100 2.793 -2.767 4.210 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.535 -4.380 5.999 1.00 0.00 C ATOM 1558 CE1 TYR A 100 2.942 -3.813 3.290 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.685 -5.427 5.082 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.888 -5.143 3.725 1.00 0.00 C ATOM 1561 OH TYR A 100 3.036 -6.174 2.820 1.00 0.00 O ATOM 0 H TYR A 100 2.640 -0.317 8.340 1.00 0.00 H new ATOM 0 HA TYR A 100 4.372 -2.341 7.407 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.811 -2.259 7.391 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.905 -1.095 6.084 1.00 0.00 H new ATOM 0 HD1 TYR A 100 2.835 -1.741 3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.377 -4.598 7.045 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.099 -3.593 2.244 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.644 -6.452 5.420 1.00 0.00 H new ATOM 0 HH TYR A 100 3.213 -7.009 3.301 1.00 0.00 H new ATOM 1571 N ILE A 101 4.024 0.321 5.479 1.00 0.00 N ATOM 1572 CA ILE A 101 4.605 1.078 4.380 1.00 0.00 C ATOM 1573 C ILE A 101 6.041 1.445 4.736 1.00 0.00 C ATOM 1574 O ILE A 101 6.937 1.393 3.894 1.00 0.00 O ATOM 1575 CB ILE A 101 3.777 2.357 4.130 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.377 1.990 3.580 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.503 3.273 3.140 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.410 1.719 2.063 1.00 0.00 C ATOM 0 H ILE A 101 3.202 0.755 5.898 1.00 0.00 H new ATOM 0 HA ILE A 101 4.598 0.475 3.472 1.00 0.00 H new ATOM 0 HB ILE A 101 3.657 2.884 5.077 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.003 1.107 4.099 1.00 0.00 H new ATOM 0 HG13 ILE A 101 1.680 2.802 3.789 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.909 4.171 2.972 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.475 3.552 3.548 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.643 2.749 2.195 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.408 1.465 1.717 1.00 0.00 H new ATOM 0 HD12 ILE A 101 2.759 2.610 1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.086 0.890 1.856 1.00 0.00 H new ATOM 1590 N GLN A 102 6.239 1.813 5.998 1.00 0.00 N ATOM 1591 CA GLN A 102 7.561 2.192 6.486 1.00 0.00 C ATOM 1592 C GLN A 102 8.582 1.112 6.163 1.00 0.00 C ATOM 1593 O GLN A 102 9.580 1.362 5.486 1.00 0.00 O ATOM 1594 CB GLN A 102 7.512 2.369 8.003 1.00 0.00 C ATOM 1595 CG GLN A 102 8.772 3.100 8.468 1.00 0.00 C ATOM 1596 CD GLN A 102 8.814 3.163 9.991 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.986 2.437 10.690 1.00 0.00 O flip ATOM 1598 NE2 GLN A 102 9.628 3.891 10.560 1.00 0.00 N flip ATOM 0 H GLN A 102 5.501 1.857 6.701 1.00 0.00 H new ATOM 0 HA GLN A 102 7.852 3.123 6.000 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.624 2.935 8.286 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.440 1.397 8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.658 2.587 8.094 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.789 4.108 8.055 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.275 4.458 10.012 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.655 3.927 11.579 1.00 0.00 H new ATOM 1607 N GLU A 103 8.332 -0.084 6.674 1.00 0.00 N ATOM 1608 CA GLU A 103 9.250 -1.190 6.446 1.00 0.00 C ATOM 1609 C GLU A 103 9.381 -1.443 4.952 1.00 0.00 C ATOM 1610 O GLU A 103 10.483 -1.615 4.430 1.00 0.00 O ATOM 1611 CB GLU A 103 8.737 -2.443 7.157 1.00 0.00 C ATOM 1612 CG GLU A 103 9.795 -3.546 7.081 1.00 0.00 C ATOM 1613 CD GLU A 103 11.013 -3.159 7.912 1.00 0.00 C ATOM 1614 OE1 GLU A 103 10.867 -2.322 8.787 1.00 0.00 O ATOM 1615 OE2 GLU A 103 12.075 -3.703 7.659 1.00 0.00 O ATOM 0 H GLU A 103 7.515 -0.312 7.240 1.00 0.00 H new ATOM 0 HA GLU A 103 10.231 -0.938 6.848 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.509 -2.215 8.198 1.00 0.00 H new ATOM 0 HB3 GLU A 103 7.810 -2.782 6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 103 9.379 -4.485 7.446 1.00 0.00 H new ATOM 0 HG3 GLU A 103 10.089 -3.709 6.044 1.00 0.00 H new ATOM 1622 N LEU A 104 8.248 -1.463 4.272 1.00 0.00 N ATOM 1623 CA LEU A 104 8.222 -1.700 2.837 1.00 0.00 C ATOM 1624 C LEU A 104 9.041 -0.649 2.106 1.00 0.00 C ATOM 1625 O LEU A 104 9.841 -0.968 1.231 1.00 0.00 O ATOM 1626 CB LEU A 104 6.774 -1.596 2.373 1.00 0.00 C ATOM 1627 CG LEU A 104 6.643 -1.900 0.873 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.044 -3.351 0.578 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.186 -1.675 0.450 1.00 0.00 C ATOM 0 H LEU A 104 7.330 -1.317 4.691 1.00 0.00 H new ATOM 0 HA LEU A 104 8.641 -2.683 2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.157 -2.292 2.942 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.396 -0.594 2.577 1.00 0.00 H new ATOM 0 HG LEU A 104 7.306 -1.239 0.314 1.00 0.00 H new ATOM 0 HD11 LEU A 104 6.944 -3.546 -0.490 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.079 -3.511 0.881 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.394 -4.028 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.079 -1.887 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.535 -2.338 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.907 -0.639 0.643 1.00 0.00 H new ATOM 1641 N TYR A 105 8.833 0.605 2.478 1.00 0.00 N ATOM 1642 CA TYR A 105 9.547 1.711 1.855 1.00 0.00 C ATOM 1643 C TYR A 105 11.035 1.454 1.914 1.00 0.00 C ATOM 1644 O TYR A 105 11.762 1.621 0.932 1.00 0.00 O ATOM 1645 CB TYR A 105 9.234 2.991 2.625 1.00 0.00 C ATOM 1646 CG TYR A 105 9.993 4.150 2.033 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.480 4.821 0.919 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.207 4.559 2.601 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.176 5.900 0.370 1.00 0.00 C ATOM 1650 CE2 TYR A 105 11.906 5.638 2.051 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.389 6.310 0.937 1.00 0.00 C ATOM 1652 OH TYR A 105 12.077 7.375 0.394 1.00 0.00 O ATOM 0 H TYR A 105 8.176 0.883 3.207 1.00 0.00 H new ATOM 0 HA TYR A 105 9.237 1.808 0.815 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.163 3.192 2.591 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.502 2.868 3.674 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.544 4.504 0.482 1.00 0.00 H new ATOM 0 HD2 TYR A 105 11.602 4.041 3.463 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.779 6.418 -0.491 1.00 0.00 H new ATOM 0 HE2 TYR A 105 12.844 5.953 2.485 1.00 0.00 H new ATOM 0 HH TYR A 105 12.898 7.530 0.907 1.00 0.00 H new ATOM 1662 N ARG A 106 11.481 1.076 3.090 1.00 0.00 N ATOM 1663 CA ARG A 106 12.887 0.818 3.316 1.00 0.00 C ATOM 1664 C ARG A 106 13.388 -0.313 2.433 1.00 0.00 C ATOM 1665 O ARG A 106 14.460 -0.208 1.837 1.00 0.00 O ATOM 1666 CB ARG A 106 13.086 0.495 4.792 1.00 0.00 C ATOM 1667 CG ARG A 106 12.891 1.781 5.597 1.00 0.00 C ATOM 1668 CD ARG A 106 12.887 1.466 7.088 1.00 0.00 C ATOM 1669 NE ARG A 106 14.163 0.892 7.487 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.266 0.162 8.589 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.186 0.729 9.758 1.00 0.00 N ATOM 1672 NH2 ARG A 106 14.444 -1.130 8.496 1.00 0.00 N ATOM 0 H ARG A 106 10.889 0.940 3.909 1.00 0.00 H new ATOM 0 HA ARG A 106 13.468 1.702 3.053 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.374 -0.265 5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.084 0.089 4.961 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.689 2.488 5.368 1.00 0.00 H new ATOM 0 HG3 ARG A 106 11.952 2.258 5.315 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.696 2.375 7.658 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.080 0.770 7.317 1.00 0.00 H new ATOM 0 HE ARG A 106 14.989 1.053 6.911 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.044 1.737 9.827 1.00 0.00 H new ATOM 0 HH12 ARG A 106 14.265 0.166 10.605 1.00 0.00 H new ATOM 0 HH21 ARG A 106 14.503 -1.572 7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 106 14.524 -1.696 9.341 1.00 0.00 H new ATOM 1686 N SER A 107 12.610 -1.382 2.314 1.00 0.00 N ATOM 1687 CA SER A 107 13.016 -2.492 1.466 1.00 0.00 C ATOM 1688 C SER A 107 13.222 -2.008 0.030 1.00 0.00 C ATOM 1689 O SER A 107 14.171 -2.416 -0.639 1.00 0.00 O ATOM 1690 CB SER A 107 11.961 -3.600 1.492 1.00 0.00 C ATOM 1691 OG SER A 107 11.847 -4.117 2.813 1.00 0.00 O ATOM 0 H SER A 107 11.713 -1.502 2.784 1.00 0.00 H new ATOM 0 HA SER A 107 13.955 -2.892 1.848 1.00 0.00 H new ATOM 0 HB2 SER A 107 11.000 -3.209 1.159 1.00 0.00 H new ATOM 0 HB3 SER A 107 12.238 -4.396 0.801 1.00 0.00 H new ATOM 0 HG SER A 107 11.416 -3.451 3.389 1.00 0.00 H new ATOM 1697 N LEU A 108 12.326 -1.136 -0.435 1.00 0.00 N ATOM 1698 CA LEU A 108 12.412 -0.602 -1.790 1.00 0.00 C ATOM 1699 C LEU A 108 13.700 0.188 -1.984 1.00 0.00 C ATOM 1700 O LEU A 108 14.324 0.124 -3.043 1.00 0.00 O ATOM 1701 CB LEU A 108 11.240 0.340 -2.076 1.00 0.00 C ATOM 1702 CG LEU A 108 9.902 -0.409 -2.023 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.760 0.600 -2.200 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.831 -1.462 -3.137 1.00 0.00 C ATOM 0 H LEU A 108 11.536 -0.787 0.107 1.00 0.00 H new ATOM 0 HA LEU A 108 12.389 -1.453 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.235 1.151 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.367 0.795 -3.058 1.00 0.00 H new ATOM 0 HG LEU A 108 9.813 -0.914 -1.061 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.804 0.078 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.800 1.339 -1.400 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.863 1.101 -3.162 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.875 -1.984 -3.084 1.00 0.00 H new ATOM 0 HD22 LEU A 108 9.924 -0.973 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.643 -2.179 -3.013 1.00 0.00 H new ATOM 1716 N VAL A 109 14.075 0.954 -0.969 1.00 0.00 N ATOM 1717 CA VAL A 109 15.271 1.773 -1.055 1.00 0.00 C ATOM 1718 C VAL A 109 16.507 0.898 -1.220 1.00 0.00 C ATOM 1719 O VAL A 109 17.361 1.172 -2.063 1.00 0.00 O ATOM 1720 CB VAL A 109 15.393 2.642 0.202 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.756 3.334 0.231 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.289 3.703 0.182 1.00 0.00 C ATOM 0 H VAL A 109 13.572 1.024 -0.085 1.00 0.00 H new ATOM 0 HA VAL A 109 15.195 2.421 -1.928 1.00 0.00 H new ATOM 0 HB VAL A 109 15.294 2.013 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 109 16.833 3.949 1.128 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.546 2.583 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 109 16.863 3.965 -0.652 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.367 4.327 1.073 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.398 4.325 -0.707 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.315 3.214 0.166 1.00 0.00 H new ATOM 1732 N GLN A 110 16.594 -0.160 -0.423 1.00 0.00 N ATOM 1733 CA GLN A 110 17.733 -1.055 -0.520 1.00 0.00 C ATOM 1734 C GLN A 110 17.758 -1.684 -1.901 1.00 0.00 C ATOM 1735 O GLN A 110 18.784 -1.682 -2.585 1.00 0.00 O ATOM 1736 CB GLN A 110 17.645 -2.162 0.548 1.00 0.00 C ATOM 1737 CG GLN A 110 17.071 -1.598 1.873 1.00 0.00 C ATOM 1738 CD GLN A 110 17.819 -2.169 3.080 1.00 0.00 C ATOM 1739 OE1 GLN A 110 19.051 -2.167 3.104 1.00 0.00 O ATOM 1740 NE2 GLN A 110 17.145 -2.651 4.088 1.00 0.00 N ATOM 0 H GLN A 110 15.903 -0.414 0.283 1.00 0.00 H new ATOM 0 HA GLN A 110 18.646 -0.483 -0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.012 -2.973 0.187 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.634 -2.584 0.725 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.148 -0.511 1.874 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.011 -1.842 1.948 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.125 -2.652 4.066 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.638 -3.027 4.898 1.00 0.00 H new ATOM 1749 N LYS A 111 16.614 -2.229 -2.299 1.00 0.00 N ATOM 1750 CA LYS A 111 16.498 -2.873 -3.603 1.00 0.00 C ATOM 1751 C LYS A 111 16.772 -1.861 -4.720 1.00 0.00 C ATOM 1752 O LYS A 111 17.028 -2.242 -5.862 1.00 0.00 O ATOM 1753 CB LYS A 111 15.094 -3.483 -3.780 1.00 0.00 C ATOM 1754 CG LYS A 111 14.909 -4.692 -2.845 1.00 0.00 C ATOM 1755 CD LYS A 111 13.508 -5.297 -3.042 1.00 0.00 C ATOM 1756 CE LYS A 111 13.365 -6.565 -2.191 1.00 0.00 C ATOM 1757 NZ LYS A 111 13.449 -6.214 -0.746 1.00 0.00 N ATOM 0 H LYS A 111 15.759 -2.238 -1.743 1.00 0.00 H new ATOM 0 HA LYS A 111 17.237 -3.672 -3.659 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.335 -2.731 -3.566 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.953 -3.792 -4.816 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.671 -5.443 -3.052 1.00 0.00 H new ATOM 0 HG3 LYS A 111 15.039 -4.384 -1.808 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.745 -4.571 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.349 -5.534 -4.094 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.412 -7.050 -2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 111 14.149 -7.277 -2.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 14.309 -6.632 -0.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 13.483 -5.180 -0.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.614 -6.585 -0.250 1.00 0.00 H new ATOM 1771 N GLY A 112 16.709 -0.575 -4.379 1.00 0.00 N ATOM 1772 CA GLY A 112 16.950 0.481 -5.364 1.00 0.00 C ATOM 1773 C GLY A 112 15.740 0.627 -6.266 1.00 0.00 C ATOM 1774 O GLY A 112 15.821 1.166 -7.372 1.00 0.00 O ATOM 0 H GLY A 112 16.496 -0.240 -3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.153 1.424 -4.857 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.832 0.242 -5.959 1.00 0.00 H new ATOM 1778 N LEU A 113 14.617 0.143 -5.757 1.00 0.00 N ATOM 1779 CA LEU A 113 13.345 0.204 -6.462 1.00 0.00 C ATOM 1780 C LEU A 113 12.792 1.632 -6.475 1.00 0.00 C ATOM 1781 O LEU A 113 12.288 2.109 -7.491 1.00 0.00 O ATOM 1782 CB LEU A 113 12.358 -0.737 -5.763 1.00 0.00 C ATOM 1783 CG LEU A 113 12.607 -2.192 -6.191 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.825 -3.127 -5.260 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.142 -2.413 -7.648 1.00 0.00 C ATOM 0 H LEU A 113 14.562 -0.304 -4.842 1.00 0.00 H new ATOM 0 HA LEU A 113 13.491 -0.103 -7.498 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.464 -0.647 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.336 -0.449 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 113 13.674 -2.405 -6.128 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.996 -4.162 -5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.162 -2.983 -4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.761 -2.901 -5.328 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.325 -3.448 -7.935 1.00 0.00 H new ATOM 0 HD22 LEU A 113 11.076 -2.198 -7.726 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.696 -1.749 -8.311 1.00 0.00 H new ATOM 1797 N VAL A 114 12.878 2.299 -5.327 1.00 0.00 N ATOM 1798 CA VAL A 114 12.376 3.666 -5.204 1.00 0.00 C ATOM 1799 C VAL A 114 13.267 4.660 -5.961 1.00 0.00 C ATOM 1800 O VAL A 114 12.772 5.622 -6.548 1.00 0.00 O ATOM 1801 CB VAL A 114 12.237 4.041 -3.704 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.460 5.547 -3.485 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.825 3.663 -3.199 1.00 0.00 C ATOM 0 H VAL A 114 13.288 1.919 -4.474 1.00 0.00 H new ATOM 0 HA VAL A 114 11.389 3.720 -5.664 1.00 0.00 H new ATOM 0 HB VAL A 114 12.995 3.490 -3.148 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.356 5.780 -2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.461 5.819 -3.820 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.721 6.111 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.732 3.928 -2.146 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.075 4.204 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.671 2.591 -3.318 1.00 0.00 H new