USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 41 MET CE :methyl -127:sc=-0.00269 (180deg=-1.99!) USER MOD Set 1.2: A 42 GLN : amide:sc= 0.525 K(o=0.52,f=-0.55) USER MOD Set 2.1: A 32 THR OG1 : rot -68:sc= 0.76 USER MOD Set 2.2: A 35 GLN : amide:sc= 1.73 K(o=2.5,f=-1.2!) USER MOD Set 3.1: A 12 SER OG : rot -140:sc= 0.913 USER MOD Set 3.2: A 16 TYR OH : rot 137:sc= 0.203 USER MOD Set 3.3: A 75 HIS : no HD1:sc= -0.0539 K(o=1.1,f=-2.1) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.00777 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.0381 X(o=0.038,f=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 74:sc= 0.396 USER MOD Single : A 23 HIS :FLIP no HD1:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 91:sc= 1.25 USER MOD Single : A 43 SER OG : rot -90:sc= 1.23 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.615 K(o=-0.61,f=-1.7) USER MOD Single : A 49 GLN : amide:sc= -0.0231 X(o=-0.023,f=-0.077) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 SER OG : rot 80:sc= -1.25 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 0.0926 (180deg=-0.111) USER MOD Single : A 66 THR OG1 : rot -82:sc= 0.724 USER MOD Single : A 74 MET CE :methyl -162:sc= -0.0858 (180deg=-0.495) USER MOD Single : A 81 MET CE :methyl 163:sc= 0 (180deg=-0.415) USER MOD Single : A 82 SER OG : rot 63:sc= 1.24 USER MOD Single : A 84 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.11) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 72 N TRP A 6 -4.065 9.820 6.838 1.00 0.00 N ATOM 73 CA TRP A 6 -4.134 8.825 5.770 1.00 0.00 C ATOM 74 C TRP A 6 -5.381 9.064 4.915 1.00 0.00 C ATOM 75 O TRP A 6 -6.510 8.850 5.358 1.00 0.00 O ATOM 76 CB TRP A 6 -4.097 7.395 6.329 1.00 0.00 C ATOM 77 CG TRP A 6 -3.547 6.391 5.359 1.00 0.00 C ATOM 78 CD1 TRP A 6 -2.729 6.644 4.296 1.00 0.00 C ATOM 79 CD2 TRP A 6 -3.756 4.975 5.373 1.00 0.00 C ATOM 80 NE1 TRP A 6 -2.429 5.478 3.640 1.00 0.00 N ATOM 81 CE2 TRP A 6 -3.046 4.436 4.281 1.00 0.00 C ATOM 82 CE3 TRP A 6 -4.479 4.108 6.199 1.00 0.00 C ATOM 83 CZ2 TRP A 6 -3.039 3.074 3.996 1.00 0.00 C ATOM 84 CZ3 TRP A 6 -4.469 2.756 5.915 1.00 0.00 C ATOM 85 CH2 TRP A 6 -3.754 2.251 4.821 1.00 0.00 C ATOM 0 HA TRP A 6 -3.255 8.936 5.136 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -3.492 7.383 7.236 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -5.106 7.098 6.615 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.370 7.622 4.012 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.842 5.399 2.810 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -5.035 4.489 7.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -2.489 2.681 3.154 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -5.022 2.077 6.547 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.768 1.189 4.625 1.00 0.00 H new ATOM 96 N ALA A 7 -5.151 9.505 3.682 1.00 0.00 N ATOM 97 CA ALA A 7 -6.209 9.978 2.790 1.00 0.00 C ATOM 98 C ALA A 7 -7.035 8.841 2.186 1.00 0.00 C ATOM 99 O ALA A 7 -7.417 8.888 1.015 1.00 0.00 O ATOM 100 CB ALA A 7 -5.589 10.818 1.687 1.00 0.00 C ATOM 0 H ALA A 7 -4.219 9.545 3.269 1.00 0.00 H new ATOM 0 HA ALA A 7 -6.898 10.576 3.386 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.372 11.174 1.017 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -5.071 11.671 2.126 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -4.878 10.213 1.124 1.00 0.00 H new ATOM 106 N VAL A 8 -7.323 7.836 2.986 1.00 0.00 N ATOM 107 CA VAL A 8 -8.223 6.777 2.580 1.00 0.00 C ATOM 108 C VAL A 8 -9.352 6.646 3.601 1.00 0.00 C ATOM 109 O VAL A 8 -9.109 6.365 4.775 1.00 0.00 O ATOM 110 CB VAL A 8 -7.486 5.425 2.401 1.00 0.00 C ATOM 111 CG1 VAL A 8 -6.735 5.032 3.663 1.00 0.00 C ATOM 112 CG2 VAL A 8 -8.459 4.331 1.989 1.00 0.00 C ATOM 0 H VAL A 8 -6.944 7.730 3.927 1.00 0.00 H new ATOM 0 HA VAL A 8 -8.641 7.041 1.608 1.00 0.00 H new ATOM 0 HB VAL A 8 -6.753 5.550 1.604 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -6.229 4.080 3.504 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.998 5.799 3.901 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.439 4.935 4.490 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -7.920 3.391 1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.223 4.216 2.757 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.932 4.601 1.045 1.00 0.00 H new ATOM 122 N PRO A 9 -10.598 6.898 3.171 1.00 0.00 N ATOM 123 CA PRO A 9 -11.772 6.790 4.043 1.00 0.00 C ATOM 124 C PRO A 9 -11.841 5.439 4.743 1.00 0.00 C ATOM 125 O PRO A 9 -11.489 4.409 4.161 1.00 0.00 O ATOM 126 CB PRO A 9 -12.951 6.960 3.082 1.00 0.00 C ATOM 127 CG PRO A 9 -12.398 7.743 1.942 1.00 0.00 C ATOM 128 CD PRO A 9 -10.961 7.321 1.806 1.00 0.00 C ATOM 0 HA PRO A 9 -11.756 7.528 4.845 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.335 5.995 2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.778 7.485 3.559 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -12.952 7.541 1.025 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -12.474 8.814 2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -10.847 6.507 1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -10.333 8.141 1.459 1.00 0.00 H new ATOM 136 N GLN A 10 -12.295 5.449 5.989 1.00 0.00 N ATOM 137 CA GLN A 10 -12.375 4.237 6.794 1.00 0.00 C ATOM 138 C GLN A 10 -13.231 3.179 6.103 1.00 0.00 C ATOM 139 O GLN A 10 -12.839 2.018 6.014 1.00 0.00 O ATOM 140 CB GLN A 10 -12.943 4.566 8.174 1.00 0.00 C ATOM 141 CG GLN A 10 -13.032 3.368 9.100 1.00 0.00 C ATOM 142 CD GLN A 10 -13.625 3.727 10.442 1.00 0.00 C ATOM 143 OE1 GLN A 10 -12.907 4.087 11.376 1.00 0.00 O ATOM 144 NE2 GLN A 10 -14.938 3.645 10.542 1.00 0.00 N ATOM 0 H GLN A 10 -12.616 6.291 6.468 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.370 3.832 6.911 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.320 5.329 8.641 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.937 4.996 8.054 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -13.639 2.593 8.632 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.037 2.948 9.245 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -15.492 3.342 9.741 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.399 3.885 11.420 1.00 0.00 H new ATOM 153 N SER A 11 -14.387 3.591 5.603 1.00 0.00 N ATOM 154 CA SER A 11 -15.272 2.698 4.869 1.00 0.00 C ATOM 155 C SER A 11 -14.555 2.073 3.672 1.00 0.00 C ATOM 156 O SER A 11 -14.746 0.893 3.362 1.00 0.00 O ATOM 157 CB SER A 11 -16.501 3.483 4.411 1.00 0.00 C ATOM 158 OG SER A 11 -16.113 4.721 3.830 1.00 0.00 O ATOM 0 H SER A 11 -14.736 4.545 5.693 1.00 0.00 H new ATOM 0 HA SER A 11 -15.581 1.884 5.525 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.066 2.896 3.687 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.161 3.664 5.259 1.00 0.00 H new ATOM 0 HG SER A 11 -16.911 5.211 3.540 1.00 0.00 H new ATOM 164 N SER A 12 -13.710 2.866 3.028 1.00 0.00 N ATOM 165 CA SER A 12 -12.960 2.413 1.872 1.00 0.00 C ATOM 166 C SER A 12 -11.867 1.430 2.296 1.00 0.00 C ATOM 167 O SER A 12 -11.717 0.364 1.697 1.00 0.00 O ATOM 168 CB SER A 12 -12.350 3.619 1.142 1.00 0.00 C ATOM 169 OG SER A 12 -11.680 3.234 -0.046 1.00 0.00 O ATOM 0 H SER A 12 -13.528 3.834 3.292 1.00 0.00 H new ATOM 0 HA SER A 12 -13.636 1.896 1.191 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.137 4.333 0.900 1.00 0.00 H new ATOM 0 HB3 SER A 12 -11.650 4.129 1.805 1.00 0.00 H new ATOM 0 HG SER A 12 -10.850 3.747 -0.134 1.00 0.00 H new ATOM 175 N ARG A 13 -11.128 1.772 3.354 1.00 0.00 N ATOM 176 CA ARG A 13 -10.019 0.933 3.810 1.00 0.00 C ATOM 177 C ARG A 13 -10.538 -0.396 4.350 1.00 0.00 C ATOM 178 O ARG A 13 -9.878 -1.427 4.220 1.00 0.00 O ATOM 179 CB ARG A 13 -9.166 1.651 4.874 1.00 0.00 C ATOM 180 CG ARG A 13 -9.823 1.775 6.240 1.00 0.00 C ATOM 181 CD ARG A 13 -8.913 2.465 7.247 1.00 0.00 C ATOM 182 NE ARG A 13 -7.698 1.693 7.535 1.00 0.00 N ATOM 183 CZ ARG A 13 -6.947 1.870 8.628 1.00 0.00 C ATOM 184 NH1 ARG A 13 -7.317 2.751 9.549 1.00 0.00 N ATOM 185 NH2 ARG A 13 -5.845 1.148 8.812 1.00 0.00 N ATOM 0 H ARG A 13 -11.276 2.617 3.906 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.380 0.736 2.950 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.224 1.115 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.923 2.650 4.511 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -10.752 2.337 6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.086 0.783 6.608 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -8.633 3.446 6.864 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.462 2.629 8.174 1.00 0.00 H new ATOM 0 HE ARG A 13 -7.410 0.981 6.864 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -8.173 3.292 9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -6.746 2.887 10.383 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -5.568 0.454 8.117 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -5.277 1.288 9.648 1.00 0.00 H new ATOM 199 N LEU A 14 -11.729 -0.367 4.939 1.00 0.00 N ATOM 200 CA LEU A 14 -12.360 -1.568 5.456 1.00 0.00 C ATOM 201 C LEU A 14 -12.633 -2.561 4.338 1.00 0.00 C ATOM 202 O LEU A 14 -12.472 -3.765 4.515 1.00 0.00 O ATOM 203 CB LEU A 14 -13.666 -1.219 6.163 1.00 0.00 C ATOM 204 CG LEU A 14 -13.514 -0.517 7.513 1.00 0.00 C ATOM 205 CD1 LEU A 14 -14.878 -0.217 8.114 1.00 0.00 C ATOM 206 CD2 LEU A 14 -12.685 -1.364 8.467 1.00 0.00 C ATOM 0 H LEU A 14 -12.277 0.483 5.069 1.00 0.00 H new ATOM 0 HA LEU A 14 -11.676 -2.026 6.171 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.256 -0.581 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.235 -2.137 6.312 1.00 0.00 H new ATOM 0 HG LEU A 14 -12.993 0.427 7.352 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -14.751 0.283 9.074 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -15.438 0.431 7.440 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -15.424 -1.149 8.259 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -12.588 -0.847 9.422 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.177 -2.324 8.622 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.695 -1.528 8.041 1.00 0.00 H new ATOM 218 N LYS A 15 -13.039 -2.040 3.188 1.00 0.00 N ATOM 219 CA LYS A 15 -13.340 -2.869 2.030 1.00 0.00 C ATOM 220 C LYS A 15 -12.107 -3.648 1.573 1.00 0.00 C ATOM 221 O LYS A 15 -12.194 -4.837 1.266 1.00 0.00 O ATOM 222 CB LYS A 15 -13.870 -2.008 0.875 1.00 0.00 C ATOM 223 CG LYS A 15 -14.247 -2.817 -0.356 1.00 0.00 C ATOM 224 CD LYS A 15 -14.692 -1.932 -1.510 1.00 0.00 C ATOM 225 CE LYS A 15 -15.105 -2.765 -2.712 1.00 0.00 C ATOM 226 NZ LYS A 15 -15.517 -1.921 -3.863 1.00 0.00 N ATOM 0 H LYS A 15 -13.168 -1.040 3.032 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.109 -3.583 2.324 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.743 -1.452 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.112 -1.274 0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.393 -3.418 -0.669 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.049 -3.510 -0.102 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -15.527 -1.308 -1.192 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.881 -1.260 -1.791 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -14.275 -3.405 -3.011 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -15.929 -3.422 -2.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -15.790 -2.530 -4.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -16.326 -1.328 -3.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -14.724 -1.312 -4.149 1.00 0.00 H new ATOM 240 N TYR A 16 -10.954 -2.986 1.541 1.00 0.00 N ATOM 241 CA TYR A 16 -9.736 -3.635 1.069 1.00 0.00 C ATOM 242 C TYR A 16 -9.116 -4.480 2.175 1.00 0.00 C ATOM 243 O TYR A 16 -8.445 -5.465 1.901 1.00 0.00 O ATOM 244 CB TYR A 16 -8.702 -2.616 0.581 1.00 0.00 C ATOM 245 CG TYR A 16 -9.266 -1.476 -0.237 1.00 0.00 C ATOM 246 CD1 TYR A 16 -9.991 -1.701 -1.403 1.00 0.00 C ATOM 247 CD2 TYR A 16 -9.058 -0.166 0.162 1.00 0.00 C ATOM 248 CE1 TYR A 16 -10.495 -0.644 -2.140 1.00 0.00 C ATOM 249 CE2 TYR A 16 -9.553 0.890 -0.567 1.00 0.00 C ATOM 250 CZ TYR A 16 -10.270 0.650 -1.716 1.00 0.00 C ATOM 251 OH TYR A 16 -10.757 1.712 -2.439 1.00 0.00 O ATOM 0 H TYR A 16 -10.838 -2.015 1.832 1.00 0.00 H new ATOM 0 HA TYR A 16 -10.019 -4.272 0.231 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -8.186 -2.202 1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -7.954 -3.137 -0.017 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -10.163 -2.714 -1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -8.496 0.030 1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -11.061 -0.830 -3.041 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -9.379 1.904 -0.238 1.00 0.00 H new ATOM 0 HH TYR A 16 -11.134 2.379 -1.828 1.00 0.00 H new ATOM 261 N ARG A 17 -9.333 -4.092 3.426 1.00 0.00 N ATOM 262 CA ARG A 17 -8.861 -4.886 4.557 1.00 0.00 C ATOM 263 C ARG A 17 -9.647 -6.188 4.624 1.00 0.00 C ATOM 264 O ARG A 17 -9.169 -7.197 5.124 1.00 0.00 O ATOM 265 CB ARG A 17 -8.990 -4.100 5.864 1.00 0.00 C ATOM 266 CG ARG A 17 -8.463 -4.838 7.087 1.00 0.00 C ATOM 267 CD ARG A 17 -7.807 -3.876 8.065 1.00 0.00 C ATOM 268 NE ARG A 17 -7.195 -4.566 9.198 1.00 0.00 N ATOM 269 CZ ARG A 17 -5.975 -4.295 9.664 1.00 0.00 C ATOM 270 NH1 ARG A 17 -5.232 -3.355 9.089 1.00 0.00 N ATOM 271 NH2 ARG A 17 -5.503 -4.968 10.708 1.00 0.00 N ATOM 0 H ARG A 17 -9.829 -3.239 3.683 1.00 0.00 H new ATOM 0 HA ARG A 17 -7.805 -5.117 4.416 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.453 -3.157 5.763 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.039 -3.854 6.026 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.282 -5.362 7.581 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.742 -5.594 6.777 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.047 -3.294 7.544 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.552 -3.171 8.432 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.733 -5.299 9.660 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -5.594 -2.838 8.288 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -4.300 -3.151 9.449 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.073 -5.689 11.150 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.570 -4.764 11.067 1.00 0.00 H new ATOM 285 N GLN A 18 -10.851 -6.138 4.084 1.00 0.00 N ATOM 286 CA GLN A 18 -11.747 -7.285 4.002 1.00 0.00 C ATOM 287 C GLN A 18 -11.335 -8.249 2.893 1.00 0.00 C ATOM 288 O GLN A 18 -11.840 -9.358 2.801 1.00 0.00 O ATOM 289 CB GLN A 18 -13.154 -6.800 3.710 1.00 0.00 C ATOM 290 CG GLN A 18 -14.034 -6.662 4.938 1.00 0.00 C ATOM 291 CD GLN A 18 -15.398 -6.094 4.597 1.00 0.00 C ATOM 292 OE1 GLN A 18 -16.340 -6.836 4.315 1.00 0.00 O ATOM 293 NE2 GLN A 18 -15.505 -4.775 4.605 1.00 0.00 N ATOM 0 H GLN A 18 -11.244 -5.287 3.682 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.699 -7.810 4.956 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -13.096 -5.834 3.208 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -13.627 -7.493 3.014 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -14.155 -7.637 5.409 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.543 -6.015 5.665 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -14.698 -4.199 4.845 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -16.395 -4.334 4.371 1.00 0.00 H new ATOM 302 N LEU A 19 -10.444 -7.796 2.047 1.00 0.00 N ATOM 303 CA LEU A 19 -10.089 -8.506 0.818 1.00 0.00 C ATOM 304 C LEU A 19 -8.709 -8.108 0.367 1.00 0.00 C ATOM 305 O LEU A 19 -8.490 -8.017 -0.834 1.00 0.00 O ATOM 306 CB LEU A 19 -11.028 -8.021 -0.273 1.00 0.00 C ATOM 307 CG LEU A 19 -11.403 -9.046 -1.339 1.00 0.00 C ATOM 308 CD1 LEU A 19 -12.196 -10.186 -0.723 1.00 0.00 C ATOM 309 CD2 LEU A 19 -12.193 -8.387 -2.458 1.00 0.00 C ATOM 0 H LEU A 19 -9.936 -6.922 2.181 1.00 0.00 H new ATOM 0 HA LEU A 19 -10.145 -9.580 0.997 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -11.944 -7.663 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.568 -7.165 -0.767 1.00 0.00 H new ATOM 0 HG LEU A 19 -10.486 -9.455 -1.763 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -12.456 -10.908 -1.497 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -11.595 -10.675 0.043 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.108 -9.793 -0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -12.452 -9.133 -3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -13.105 -7.950 -2.051 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -11.589 -7.604 -2.917 1.00 0.00 H new ATOM 321 N PHE A 20 -7.744 -7.938 1.256 1.00 0.00 N ATOM 322 CA PHE A 20 -7.196 -8.941 2.202 1.00 0.00 C ATOM 323 C PHE A 20 -8.144 -9.973 2.833 1.00 0.00 C ATOM 324 O PHE A 20 -8.228 -11.087 2.335 1.00 0.00 O ATOM 325 CB PHE A 20 -6.471 -8.189 3.321 1.00 0.00 C ATOM 326 CG PHE A 20 -5.179 -8.825 3.759 1.00 0.00 C ATOM 327 CD1 PHE A 20 -5.157 -9.767 4.774 1.00 0.00 C ATOM 328 CD2 PHE A 20 -3.981 -8.466 3.158 1.00 0.00 C ATOM 329 CE1 PHE A 20 -3.966 -10.340 5.181 1.00 0.00 C ATOM 330 CE2 PHE A 20 -2.788 -9.036 3.560 1.00 0.00 C ATOM 331 CZ PHE A 20 -2.779 -9.972 4.575 1.00 0.00 C ATOM 0 H PHE A 20 -7.278 -7.036 1.356 1.00 0.00 H new ATOM 0 HA PHE A 20 -6.556 -9.560 1.573 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -6.267 -7.172 2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -7.135 -8.114 4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -6.080 -10.057 5.253 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.981 -7.732 2.366 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -3.963 -11.075 5.972 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -1.864 -8.750 3.081 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.848 -10.415 4.895 1.00 0.00 H new ATOM 341 N ASN A 21 -8.856 -9.604 3.888 1.00 0.00 N ATOM 342 CA ASN A 21 -9.320 -10.562 4.915 1.00 0.00 C ATOM 343 C ASN A 21 -9.987 -11.839 4.361 1.00 0.00 C ATOM 344 O ASN A 21 -9.680 -12.937 4.823 1.00 0.00 O ATOM 345 CB ASN A 21 -10.285 -9.851 5.869 1.00 0.00 C ATOM 346 CG ASN A 21 -10.358 -10.496 7.237 1.00 0.00 C ATOM 347 OD1 ASN A 21 -9.567 -10.180 8.125 1.00 0.00 O ATOM 348 ND2 ASN A 21 -11.320 -11.376 7.434 1.00 0.00 N ATOM 0 H ASN A 21 -9.134 -8.639 4.068 1.00 0.00 H new ATOM 0 HA ASN A 21 -8.423 -10.903 5.431 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -9.975 -8.812 5.981 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.281 -9.840 5.426 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.427 -11.819 8.346 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.957 -11.613 6.674 1.00 0.00 H new ATOM 355 N SER A 22 -10.879 -11.714 3.386 1.00 0.00 N ATOM 356 CA SER A 22 -11.580 -12.874 2.844 1.00 0.00 C ATOM 357 C SER A 22 -10.661 -13.774 2.004 1.00 0.00 C ATOM 358 O SER A 22 -10.922 -14.970 1.857 1.00 0.00 O ATOM 359 CB SER A 22 -12.779 -12.414 2.024 1.00 0.00 C ATOM 360 OG SER A 22 -13.684 -11.671 2.828 1.00 0.00 O ATOM 0 H SER A 22 -11.134 -10.825 2.955 1.00 0.00 H new ATOM 0 HA SER A 22 -11.924 -13.476 3.685 1.00 0.00 H new ATOM 0 HB2 SER A 22 -12.440 -11.801 1.188 1.00 0.00 H new ATOM 0 HB3 SER A 22 -13.288 -13.279 1.599 1.00 0.00 H new ATOM 0 HG SER A 22 -13.312 -10.781 3.003 1.00 0.00 H new ATOM 366 N HIS A 23 -9.589 -13.204 1.461 1.00 0.00 N ATOM 367 CA HIS A 23 -8.619 -13.979 0.681 1.00 0.00 C ATOM 368 C HIS A 23 -7.464 -14.425 1.566 1.00 0.00 C ATOM 369 O HIS A 23 -6.593 -15.180 1.131 1.00 0.00 O ATOM 370 CB HIS A 23 -8.063 -13.172 -0.500 1.00 0.00 C ATOM 371 CG HIS A 23 -8.964 -13.113 -1.700 1.00 0.00 C ATOM 372 ND1 HIS A 23 -10.044 -12.344 -1.956 1.00 0.00 N flip ATOM 373 CD2 HIS A 23 -8.775 -13.885 -2.828 1.00 0.00 C flip ATOM 374 CE1 HIS A 23 -10.485 -12.657 -3.218 1.00 0.00 C flip ATOM 375 NE2 HIS A 23 -9.702 -13.590 -3.720 1.00 0.00 N flip ATOM 0 H HIS A 23 -9.367 -12.212 1.544 1.00 0.00 H new ATOM 0 HA HIS A 23 -9.144 -14.849 0.288 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.861 -12.155 -0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -7.108 -13.604 -0.800 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -7.991 -14.616 -2.960 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -11.333 -12.212 -3.717 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -9.796 -14.013 -4.643 1.00 0.00 H new ATOM 384 N ASP A 24 -7.459 -13.944 2.803 1.00 0.00 N ATOM 385 CA ASP A 24 -6.402 -14.275 3.751 1.00 0.00 C ATOM 386 C ASP A 24 -6.460 -15.741 4.135 1.00 0.00 C ATOM 387 O ASP A 24 -7.460 -16.226 4.666 1.00 0.00 O ATOM 388 CB ASP A 24 -6.492 -13.409 5.006 1.00 0.00 C ATOM 389 CG ASP A 24 -5.573 -13.897 6.114 1.00 0.00 C ATOM 390 OD1 ASP A 24 -4.340 -13.858 5.936 1.00 0.00 O ATOM 391 OD2 ASP A 24 -6.090 -14.324 7.171 1.00 0.00 O ATOM 0 H ASP A 24 -8.177 -13.322 3.174 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.450 -14.075 3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.237 -12.380 4.753 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.520 -13.403 5.367 1.00 0.00 H new ATOM 467 N HIS A 30 1.200 -10.767 5.357 1.00 0.00 N ATOM 468 CA HIS A 30 1.498 -9.892 4.234 1.00 0.00 C ATOM 469 C HIS A 30 1.544 -10.706 2.954 1.00 0.00 C ATOM 470 O HIS A 30 2.095 -11.806 2.929 1.00 0.00 O ATOM 471 CB HIS A 30 2.811 -9.125 4.426 1.00 0.00 C ATOM 472 CG HIS A 30 3.980 -9.943 4.888 1.00 0.00 C ATOM 473 ND1 HIS A 30 4.445 -9.910 6.181 1.00 0.00 N ATOM 474 CD2 HIS A 30 4.804 -10.783 4.217 1.00 0.00 C ATOM 475 CE1 HIS A 30 5.500 -10.691 6.290 1.00 0.00 C ATOM 476 NE2 HIS A 30 5.748 -11.234 5.111 1.00 0.00 N ATOM 0 HA HIS A 30 0.703 -9.149 4.171 1.00 0.00 H new ATOM 0 HB2 HIS A 30 3.074 -8.650 3.481 1.00 0.00 H new ATOM 0 HB3 HIS A 30 2.642 -8.326 5.148 1.00 0.00 H new ATOM 0 HD2 HIS A 30 4.733 -11.050 3.173 1.00 0.00 H new ATOM 0 HE1 HIS A 30 6.068 -10.860 7.193 1.00 0.00 H new ATOM 0 HE2 HIS A 30 6.510 -11.878 4.899 1.00 0.00 H new ATOM 485 N LEU A 31 0.968 -10.163 1.901 1.00 0.00 N ATOM 486 CA LEU A 31 0.863 -10.871 0.635 1.00 0.00 C ATOM 487 C LEU A 31 2.140 -10.707 -0.173 1.00 0.00 C ATOM 488 O LEU A 31 2.736 -9.633 -0.193 1.00 0.00 O ATOM 489 CB LEU A 31 -0.332 -10.357 -0.176 1.00 0.00 C ATOM 490 CG LEU A 31 -1.696 -10.514 0.498 1.00 0.00 C ATOM 491 CD1 LEU A 31 -2.791 -9.934 -0.381 1.00 0.00 C ATOM 492 CD2 LEU A 31 -1.979 -11.978 0.796 1.00 0.00 C ATOM 0 H LEU A 31 0.562 -9.227 1.894 1.00 0.00 H new ATOM 0 HA LEU A 31 0.712 -11.929 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.173 -9.301 -0.396 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.355 -10.882 -1.131 1.00 0.00 H new ATOM 0 HG LEU A 31 -1.679 -9.966 1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.755 -10.054 0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.599 -8.875 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.805 -10.457 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.954 -12.070 1.275 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.977 -12.546 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.209 -12.369 1.461 1.00 0.00 H new ATOM 504 N THR A 32 2.563 -11.773 -0.829 1.00 0.00 N ATOM 505 CA THR A 32 3.746 -11.720 -1.668 1.00 0.00 C ATOM 506 C THR A 32 3.436 -11.042 -3.000 1.00 0.00 C ATOM 507 O THR A 32 2.278 -10.711 -3.280 1.00 0.00 O ATOM 508 CB THR A 32 4.312 -13.130 -1.923 1.00 0.00 C ATOM 509 OG1 THR A 32 3.277 -13.996 -2.410 1.00 0.00 O ATOM 510 CG2 THR A 32 4.910 -13.711 -0.651 1.00 0.00 C ATOM 0 H THR A 32 2.106 -12.684 -0.797 1.00 0.00 H new ATOM 0 HA THR A 32 4.497 -11.134 -1.137 1.00 0.00 H new ATOM 0 HB THR A 32 5.099 -13.050 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.625 -14.160 -1.697 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.303 -14.707 -0.856 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.717 -13.067 -0.301 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.139 -13.776 0.117 1.00 0.00 H new ATOM 518 N GLY A 33 4.472 -10.848 -3.811 1.00 0.00 N ATOM 519 CA GLY A 33 4.322 -10.222 -5.116 1.00 0.00 C ATOM 520 C GLY A 33 3.215 -10.841 -5.948 1.00 0.00 C ATOM 521 O GLY A 33 2.239 -10.164 -6.272 1.00 0.00 O ATOM 0 H GLY A 33 5.429 -11.118 -3.583 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.117 -9.160 -4.982 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.264 -10.299 -5.660 1.00 0.00 H new ATOM 525 N PRO A 34 3.344 -12.129 -6.318 1.00 0.00 N ATOM 526 CA PRO A 34 2.323 -12.836 -7.096 1.00 0.00 C ATOM 527 C PRO A 34 0.927 -12.716 -6.487 1.00 0.00 C ATOM 528 O PRO A 34 -0.046 -12.484 -7.203 1.00 0.00 O ATOM 529 CB PRO A 34 2.793 -14.291 -7.067 1.00 0.00 C ATOM 530 CG PRO A 34 4.266 -14.206 -6.884 1.00 0.00 C ATOM 531 CD PRO A 34 4.506 -12.995 -6.027 1.00 0.00 C ATOM 0 HA PRO A 34 2.227 -12.423 -8.100 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.324 -14.843 -6.253 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.538 -14.809 -7.992 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.653 -15.106 -6.405 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.774 -14.112 -7.844 1.00 0.00 H new ATOM 0 HD2 PRO A 34 4.557 -13.256 -4.970 1.00 0.00 H new ATOM 0 HD3 PRO A 34 5.446 -12.504 -6.280 1.00 0.00 H new ATOM 539 N GLN A 35 0.830 -12.860 -5.167 1.00 0.00 N ATOM 540 CA GLN A 35 -0.459 -12.763 -4.483 1.00 0.00 C ATOM 541 C GLN A 35 -1.085 -11.390 -4.700 1.00 0.00 C ATOM 542 O GLN A 35 -2.229 -11.279 -5.148 1.00 0.00 O ATOM 543 CB GLN A 35 -0.302 -13.018 -2.983 1.00 0.00 C ATOM 544 CG GLN A 35 0.113 -14.435 -2.635 1.00 0.00 C ATOM 545 CD GLN A 35 0.256 -14.636 -1.138 1.00 0.00 C ATOM 546 OE1 GLN A 35 1.328 -14.427 -0.573 1.00 0.00 O ATOM 547 NE2 GLN A 35 -0.824 -15.041 -0.490 1.00 0.00 N ATOM 0 H GLN A 35 1.623 -13.043 -4.552 1.00 0.00 H new ATOM 0 HA GLN A 35 -1.114 -13.525 -4.906 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.439 -12.326 -2.583 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -1.247 -12.795 -2.487 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.626 -15.135 -3.025 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.060 -14.665 -3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -1.693 -15.202 -0.999 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.787 -15.192 0.518 1.00 0.00 H new ATOM 556 N ALA A 36 -0.318 -10.353 -4.394 1.00 0.00 N ATOM 557 CA ALA A 36 -0.773 -8.982 -4.558 1.00 0.00 C ATOM 558 C ALA A 36 -1.154 -8.705 -6.010 1.00 0.00 C ATOM 559 O ALA A 36 -2.238 -8.201 -6.292 1.00 0.00 O ATOM 560 CB ALA A 36 0.308 -8.020 -4.101 1.00 0.00 C ATOM 0 H ALA A 36 0.630 -10.438 -4.028 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.661 -8.836 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -0.040 -6.995 -4.227 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.534 -8.200 -3.050 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.207 -8.173 -4.697 1.00 0.00 H new ATOM 566 N ARG A 37 -0.266 -9.075 -6.929 1.00 0.00 N ATOM 567 CA ARG A 37 -0.465 -8.819 -8.353 1.00 0.00 C ATOM 568 C ARG A 37 -1.704 -9.527 -8.892 1.00 0.00 C ATOM 569 O ARG A 37 -2.411 -8.991 -9.744 1.00 0.00 O ATOM 570 CB ARG A 37 0.761 -9.257 -9.151 1.00 0.00 C ATOM 571 CG ARG A 37 1.881 -8.231 -9.172 1.00 0.00 C ATOM 572 CD ARG A 37 3.026 -8.690 -10.059 1.00 0.00 C ATOM 573 NE ARG A 37 2.550 -9.151 -11.365 1.00 0.00 N ATOM 574 CZ ARG A 37 3.250 -9.070 -12.495 1.00 0.00 C ATOM 575 NH1 ARG A 37 4.440 -8.489 -12.516 1.00 0.00 N ATOM 576 NH2 ARG A 37 2.736 -9.562 -13.612 1.00 0.00 N ATOM 0 H ARG A 37 0.606 -9.557 -6.710 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.612 -7.745 -8.468 1.00 0.00 H new ATOM 0 HB2 ARG A 37 1.142 -10.188 -8.731 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.458 -9.470 -10.176 1.00 0.00 H new ATOM 0 HG2 ARG A 37 1.497 -7.277 -9.533 1.00 0.00 H new ATOM 0 HG3 ARG A 37 2.246 -8.065 -8.158 1.00 0.00 H new ATOM 0 HD2 ARG A 37 3.730 -7.870 -10.197 1.00 0.00 H new ATOM 0 HD3 ARG A 37 3.569 -9.496 -9.565 1.00 0.00 H new ATOM 0 HE ARG A 37 1.618 -9.563 -11.412 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.831 -8.097 -11.660 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.965 -8.434 -13.389 1.00 0.00 H new ATOM 0 HH21 ARG A 37 1.813 -9.997 -13.601 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.263 -9.506 -14.484 1.00 0.00 H new ATOM 590 N THR A 38 -1.960 -10.725 -8.390 1.00 0.00 N ATOM 591 CA THR A 38 -3.102 -11.512 -8.832 1.00 0.00 C ATOM 592 C THR A 38 -4.413 -10.796 -8.514 1.00 0.00 C ATOM 593 O THR A 38 -5.333 -10.780 -9.330 1.00 0.00 O ATOM 594 CB THR A 38 -3.088 -12.915 -8.191 1.00 0.00 C ATOM 595 OG1 THR A 38 -1.905 -13.617 -8.599 1.00 0.00 O ATOM 596 CG2 THR A 38 -4.317 -13.720 -8.585 1.00 0.00 C ATOM 0 H THR A 38 -1.390 -11.175 -7.674 1.00 0.00 H new ATOM 0 HA THR A 38 -3.026 -11.629 -9.913 1.00 0.00 H new ATOM 0 HB THR A 38 -3.096 -12.792 -7.108 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.185 -13.446 -7.956 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.274 -14.703 -8.116 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.215 -13.199 -8.254 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.344 -13.836 -9.668 1.00 0.00 H new ATOM 604 N ILE A 39 -4.487 -10.192 -7.335 1.00 0.00 N ATOM 605 CA ILE A 39 -5.656 -9.410 -6.954 1.00 0.00 C ATOM 606 C ILE A 39 -5.665 -8.074 -7.697 1.00 0.00 C ATOM 607 O ILE A 39 -6.709 -7.617 -8.164 1.00 0.00 O ATOM 608 CB ILE A 39 -5.700 -9.161 -5.430 1.00 0.00 C ATOM 609 CG1 ILE A 39 -5.651 -10.495 -4.677 1.00 0.00 C ATOM 610 CG2 ILE A 39 -6.958 -8.385 -5.056 1.00 0.00 C ATOM 611 CD1 ILE A 39 -5.632 -10.348 -3.170 1.00 0.00 C ATOM 0 H ILE A 39 -3.753 -10.228 -6.627 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.541 -9.984 -7.229 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.831 -8.567 -5.146 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.515 -11.094 -4.963 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.764 -11.045 -4.990 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.975 -8.217 -3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -6.961 -7.425 -5.573 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -7.839 -8.957 -5.348 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.597 -11.335 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.753 -9.777 -2.871 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.532 -9.827 -2.844 1.00 0.00 H new ATOM 623 N LEU A 40 -4.486 -7.472 -7.825 1.00 0.00 N ATOM 624 CA LEU A 40 -4.330 -6.190 -8.510 1.00 0.00 C ATOM 625 C LEU A 40 -4.854 -6.238 -9.942 1.00 0.00 C ATOM 626 O LEU A 40 -5.570 -5.341 -10.375 1.00 0.00 O ATOM 627 CB LEU A 40 -2.858 -5.769 -8.526 1.00 0.00 C ATOM 628 CG LEU A 40 -2.280 -5.331 -7.180 1.00 0.00 C ATOM 629 CD1 LEU A 40 -0.807 -4.987 -7.325 1.00 0.00 C ATOM 630 CD2 LEU A 40 -3.049 -4.144 -6.622 1.00 0.00 C ATOM 0 H LEU A 40 -3.615 -7.856 -7.459 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.920 -5.460 -7.956 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.265 -6.603 -8.902 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.741 -4.949 -9.235 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.378 -6.160 -6.479 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.409 -4.677 -6.359 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.262 -5.862 -7.678 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.692 -4.175 -8.042 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.620 -3.850 -5.664 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.985 -3.309 -7.320 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.094 -4.421 -6.482 1.00 0.00 H new ATOM 642 N MET A 41 -4.499 -7.289 -10.674 1.00 0.00 N ATOM 643 CA MET A 41 -4.871 -7.399 -12.086 1.00 0.00 C ATOM 644 C MET A 41 -6.377 -7.584 -12.274 1.00 0.00 C ATOM 645 O MET A 41 -6.896 -7.383 -13.373 1.00 0.00 O ATOM 646 CB MET A 41 -4.104 -8.531 -12.778 1.00 0.00 C ATOM 647 CG MET A 41 -4.423 -9.928 -12.265 1.00 0.00 C ATOM 648 SD MET A 41 -3.560 -11.210 -13.197 1.00 0.00 S ATOM 649 CE MET A 41 -4.124 -12.690 -12.355 1.00 0.00 C ATOM 0 H MET A 41 -3.956 -8.076 -10.317 1.00 0.00 H new ATOM 0 HA MET A 41 -4.594 -6.455 -12.555 1.00 0.00 H new ATOM 0 HB2 MET A 41 -4.317 -8.495 -13.846 1.00 0.00 H new ATOM 0 HB3 MET A 41 -3.035 -8.352 -12.660 1.00 0.00 H new ATOM 0 HG2 MET A 41 -4.148 -9.998 -11.213 1.00 0.00 H new ATOM 0 HG3 MET A 41 -5.498 -10.099 -12.325 1.00 0.00 H new ATOM 0 HE1 MET A 41 -3.263 -13.285 -12.050 1.00 0.00 H new ATOM 0 HE2 MET A 41 -4.702 -12.410 -11.474 1.00 0.00 H new ATOM 0 HE3 MET A 41 -4.750 -13.276 -13.028 1.00 0.00 H new ATOM 659 N GLN A 42 -7.077 -7.958 -11.205 1.00 0.00 N ATOM 660 CA GLN A 42 -8.523 -8.179 -11.273 1.00 0.00 C ATOM 661 C GLN A 42 -9.278 -6.859 -11.426 1.00 0.00 C ATOM 662 O GLN A 42 -10.502 -6.843 -11.566 1.00 0.00 O ATOM 663 CB GLN A 42 -9.021 -8.906 -10.022 1.00 0.00 C ATOM 664 CG GLN A 42 -8.294 -10.208 -9.734 1.00 0.00 C ATOM 665 CD GLN A 42 -8.382 -11.201 -10.872 1.00 0.00 C ATOM 666 OE1 GLN A 42 -9.366 -11.243 -11.609 1.00 0.00 O ATOM 667 NE2 GLN A 42 -7.344 -12.000 -11.031 1.00 0.00 N ATOM 0 H GLN A 42 -6.669 -8.114 -10.283 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.716 -8.798 -12.149 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -8.914 -8.244 -9.163 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -10.085 -9.113 -10.134 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.246 -9.994 -9.527 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -8.711 -10.659 -8.833 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -6.547 -11.933 -10.398 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -7.338 -12.684 -11.787 1.00 0.00 H new ATOM 676 N SER A 43 -8.546 -5.754 -11.396 1.00 0.00 N ATOM 677 CA SER A 43 -9.141 -4.435 -11.554 1.00 0.00 C ATOM 678 C SER A 43 -9.354 -4.109 -13.028 1.00 0.00 C ATOM 679 O SER A 43 -9.901 -3.057 -13.364 1.00 0.00 O ATOM 680 CB SER A 43 -8.234 -3.385 -10.917 1.00 0.00 C ATOM 681 OG SER A 43 -6.939 -3.422 -11.491 1.00 0.00 O ATOM 0 H SER A 43 -7.535 -5.746 -11.263 1.00 0.00 H new ATOM 0 HA SER A 43 -10.112 -4.430 -11.058 1.00 0.00 H new ATOM 0 HB2 SER A 43 -8.668 -2.394 -11.051 1.00 0.00 H new ATOM 0 HB3 SER A 43 -8.166 -3.560 -9.843 1.00 0.00 H new ATOM 0 HG SER A 43 -6.373 -4.039 -10.982 1.00 0.00 H new ATOM 687 N SER A 44 -8.900 -5.015 -13.898 1.00 0.00 N ATOM 688 CA SER A 44 -8.992 -4.836 -15.345 1.00 0.00 C ATOM 689 C SER A 44 -8.116 -3.667 -15.807 1.00 0.00 C ATOM 690 O SER A 44 -8.315 -3.113 -16.887 1.00 0.00 O ATOM 691 CB SER A 44 -10.453 -4.625 -15.768 1.00 0.00 C ATOM 692 OG SER A 44 -11.260 -5.722 -15.366 1.00 0.00 O ATOM 0 H SER A 44 -8.459 -5.891 -13.617 1.00 0.00 H new ATOM 0 HA SER A 44 -8.623 -5.742 -15.826 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.835 -3.705 -15.325 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.509 -4.504 -16.850 1.00 0.00 H new ATOM 0 HG SER A 44 -12.187 -5.566 -15.644 1.00 0.00 H new ATOM 698 N LEU A 45 -7.135 -3.308 -14.986 1.00 0.00 N ATOM 699 CA LEU A 45 -6.201 -2.251 -15.331 1.00 0.00 C ATOM 700 C LEU A 45 -4.919 -2.845 -15.899 1.00 0.00 C ATOM 701 O LEU A 45 -4.517 -3.950 -15.523 1.00 0.00 O ATOM 702 CB LEU A 45 -5.876 -1.395 -14.104 1.00 0.00 C ATOM 703 CG LEU A 45 -7.073 -0.693 -13.456 1.00 0.00 C ATOM 704 CD1 LEU A 45 -6.631 0.078 -12.222 1.00 0.00 C ATOM 705 CD2 LEU A 45 -7.749 0.238 -14.451 1.00 0.00 C ATOM 0 H LEU A 45 -6.969 -3.737 -14.076 1.00 0.00 H new ATOM 0 HA LEU A 45 -6.667 -1.618 -16.086 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.400 -2.029 -13.356 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -5.146 -0.639 -14.393 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.794 -1.452 -13.151 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -7.493 0.571 -11.773 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.191 -0.611 -11.501 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.892 0.827 -12.506 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -8.597 0.728 -13.973 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -7.036 0.992 -14.786 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -8.099 -0.337 -15.308 1.00 0.00 H new ATOM 717 N PRO A 46 -4.276 -2.125 -16.830 1.00 0.00 N ATOM 718 CA PRO A 46 -3.005 -2.542 -17.429 1.00 0.00 C ATOM 719 C PRO A 46 -1.889 -2.640 -16.390 1.00 0.00 C ATOM 720 O PRO A 46 -1.866 -1.882 -15.416 1.00 0.00 O ATOM 721 CB PRO A 46 -2.684 -1.433 -18.439 1.00 0.00 C ATOM 722 CG PRO A 46 -3.948 -0.666 -18.623 1.00 0.00 C ATOM 723 CD PRO A 46 -4.754 -0.847 -17.368 1.00 0.00 C ATOM 0 HA PRO A 46 -3.081 -3.531 -17.880 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -1.887 -0.788 -18.070 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.342 -1.854 -19.385 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.738 0.389 -18.798 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.498 -1.030 -19.491 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.590 -0.030 -16.665 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.823 -0.876 -17.579 1.00 0.00 H new ATOM 731 N GLN A 47 -0.949 -3.555 -16.609 1.00 0.00 N ATOM 732 CA GLN A 47 0.145 -3.760 -15.668 1.00 0.00 C ATOM 733 C GLN A 47 1.070 -2.547 -15.624 1.00 0.00 C ATOM 734 O GLN A 47 1.805 -2.358 -14.659 1.00 0.00 O ATOM 735 CB GLN A 47 0.919 -5.049 -15.988 1.00 0.00 C ATOM 736 CG GLN A 47 1.469 -5.141 -17.407 1.00 0.00 C ATOM 737 CD GLN A 47 2.733 -4.331 -17.620 1.00 0.00 C ATOM 738 OE1 GLN A 47 3.532 -4.139 -16.701 1.00 0.00 O ATOM 739 NE2 GLN A 47 2.917 -3.842 -18.834 1.00 0.00 N ATOM 0 H GLN A 47 -0.924 -4.164 -17.427 1.00 0.00 H new ATOM 0 HA GLN A 47 -0.287 -3.877 -14.674 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.749 -5.139 -15.287 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.262 -5.901 -15.814 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.673 -6.186 -17.642 1.00 0.00 H new ATOM 0 HG3 GLN A 47 0.706 -4.800 -18.107 1.00 0.00 H new ATOM 0 HE21 GLN A 47 2.231 -4.024 -19.567 1.00 0.00 H new ATOM 0 HE22 GLN A 47 3.745 -3.282 -19.038 1.00 0.00 H new ATOM 748 N ALA A 48 1.021 -1.721 -16.667 1.00 0.00 N ATOM 749 CA ALA A 48 1.762 -0.465 -16.680 1.00 0.00 C ATOM 750 C ALA A 48 1.256 0.454 -15.575 1.00 0.00 C ATOM 751 O ALA A 48 2.036 1.125 -14.897 1.00 0.00 O ATOM 752 CB ALA A 48 1.638 0.213 -18.036 1.00 0.00 C ATOM 0 H ALA A 48 0.477 -1.899 -17.511 1.00 0.00 H new ATOM 0 HA ALA A 48 2.815 -0.679 -16.500 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.197 1.149 -18.027 1.00 0.00 H new ATOM 0 HB2 ALA A 48 2.040 -0.443 -18.809 1.00 0.00 H new ATOM 0 HB3 ALA A 48 0.588 0.419 -18.245 1.00 0.00 H new ATOM 758 N GLN A 49 -0.059 0.459 -15.392 1.00 0.00 N ATOM 759 CA GLN A 49 -0.687 1.234 -14.334 1.00 0.00 C ATOM 760 C GLN A 49 -0.413 0.581 -12.989 1.00 0.00 C ATOM 761 O GLN A 49 -0.107 1.255 -12.006 1.00 0.00 O ATOM 762 CB GLN A 49 -2.196 1.327 -14.571 1.00 0.00 C ATOM 763 CG GLN A 49 -2.572 2.040 -15.859 1.00 0.00 C ATOM 764 CD GLN A 49 -2.223 3.513 -15.833 1.00 0.00 C ATOM 765 OE1 GLN A 49 -1.118 3.907 -16.197 1.00 0.00 O ATOM 766 NE2 GLN A 49 -3.168 4.339 -15.415 1.00 0.00 N ATOM 0 H GLN A 49 -0.713 -0.070 -15.968 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.270 2.241 -14.337 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -2.614 0.321 -14.588 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.655 1.848 -13.731 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.061 1.564 -16.696 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -3.642 1.927 -16.033 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -4.073 3.972 -15.121 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.992 5.343 -15.387 1.00 0.00 H new ATOM 775 N LEU A 50 -0.512 -0.743 -12.965 1.00 0.00 N ATOM 776 CA LEU A 50 -0.287 -1.515 -11.758 1.00 0.00 C ATOM 777 C LEU A 50 1.140 -1.340 -11.246 1.00 0.00 C ATOM 778 O LEU A 50 1.362 -1.250 -10.045 1.00 0.00 O ATOM 779 CB LEU A 50 -0.575 -2.990 -12.033 1.00 0.00 C ATOM 780 CG LEU A 50 -2.016 -3.310 -12.440 1.00 0.00 C ATOM 781 CD1 LEU A 50 -2.169 -4.797 -12.721 1.00 0.00 C ATOM 782 CD2 LEU A 50 -2.985 -2.874 -11.353 1.00 0.00 C ATOM 0 H LEU A 50 -0.750 -1.306 -13.781 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.963 -1.151 -10.984 1.00 0.00 H new ATOM 0 HB2 LEU A 50 0.093 -3.333 -12.823 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -0.331 -3.564 -11.139 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.248 -2.759 -13.351 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.199 -5.009 -13.009 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.499 -5.085 -13.531 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.919 -5.364 -11.824 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -4.005 -3.109 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.754 -3.400 -10.427 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.893 -1.800 -11.193 1.00 0.00 H new ATOM 794 N ALA A 51 2.102 -1.281 -12.163 1.00 0.00 N ATOM 795 CA ALA A 51 3.503 -1.100 -11.795 1.00 0.00 C ATOM 796 C ALA A 51 3.729 0.261 -11.148 1.00 0.00 C ATOM 797 O ALA A 51 4.509 0.387 -10.203 1.00 0.00 O ATOM 798 CB ALA A 51 4.403 -1.259 -13.011 1.00 0.00 C ATOM 0 H ALA A 51 1.937 -1.356 -13.167 1.00 0.00 H new ATOM 0 HA ALA A 51 3.758 -1.871 -11.068 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.443 -1.120 -12.715 1.00 0.00 H new ATOM 0 HB2 ALA A 51 4.275 -2.257 -13.430 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.137 -0.514 -13.761 1.00 0.00 H new ATOM 804 N SER A 52 3.041 1.273 -11.657 1.00 0.00 N ATOM 805 CA SER A 52 3.141 2.613 -11.097 1.00 0.00 C ATOM 806 C SER A 52 2.569 2.619 -9.681 1.00 0.00 C ATOM 807 O SER A 52 3.200 3.102 -8.743 1.00 0.00 O ATOM 808 CB SER A 52 2.399 3.617 -11.989 1.00 0.00 C ATOM 809 OG SER A 52 2.613 4.954 -11.562 1.00 0.00 O ATOM 0 H SER A 52 2.410 1.192 -12.454 1.00 0.00 H new ATOM 0 HA SER A 52 4.189 2.909 -11.053 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.735 3.506 -13.020 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.332 3.397 -11.976 1.00 0.00 H new ATOM 0 HG SER A 52 2.128 5.568 -12.152 1.00 0.00 H new ATOM 815 N ILE A 53 1.383 2.040 -9.539 1.00 0.00 N ATOM 816 CA ILE A 53 0.714 1.947 -8.249 1.00 0.00 C ATOM 817 C ILE A 53 1.511 1.072 -7.278 1.00 0.00 C ATOM 818 O ILE A 53 1.587 1.370 -6.091 1.00 0.00 O ATOM 819 CB ILE A 53 -0.716 1.389 -8.421 1.00 0.00 C ATOM 820 CG1 ILE A 53 -1.547 2.351 -9.275 1.00 0.00 C ATOM 821 CG2 ILE A 53 -1.377 1.159 -7.069 1.00 0.00 C ATOM 822 CD1 ILE A 53 -2.932 1.840 -9.612 1.00 0.00 C ATOM 0 H ILE A 53 0.861 1.624 -10.310 1.00 0.00 H new ATOM 0 HA ILE A 53 0.651 2.951 -7.830 1.00 0.00 H new ATOM 0 HB ILE A 53 -0.657 0.426 -8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -1.640 3.300 -8.747 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -1.010 2.553 -10.202 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.383 0.766 -7.218 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.789 0.444 -6.494 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.433 2.103 -6.526 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.455 2.579 -10.218 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -2.850 0.907 -10.169 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.489 1.666 -8.692 1.00 0.00 H new ATOM 834 N TRP A 54 2.111 0.004 -7.793 1.00 0.00 N ATOM 835 CA TRP A 54 2.958 -0.872 -6.988 1.00 0.00 C ATOM 836 C TRP A 54 4.113 -0.087 -6.383 1.00 0.00 C ATOM 837 O TRP A 54 4.355 -0.146 -5.177 1.00 0.00 O ATOM 838 CB TRP A 54 3.508 -2.020 -7.844 1.00 0.00 C ATOM 839 CG TRP A 54 4.396 -2.961 -7.086 1.00 0.00 C ATOM 840 CD1 TRP A 54 5.742 -2.837 -6.880 1.00 0.00 C ATOM 841 CD2 TRP A 54 4.002 -4.172 -6.432 1.00 0.00 C ATOM 842 NE1 TRP A 54 6.205 -3.896 -6.138 1.00 0.00 N ATOM 843 CE2 TRP A 54 5.156 -4.727 -5.850 1.00 0.00 C ATOM 844 CE3 TRP A 54 2.783 -4.837 -6.278 1.00 0.00 C ATOM 845 CZ2 TRP A 54 5.128 -5.919 -5.132 1.00 0.00 C ATOM 846 CZ3 TRP A 54 2.757 -6.017 -5.564 1.00 0.00 C ATOM 847 CH2 TRP A 54 3.922 -6.546 -4.998 1.00 0.00 C ATOM 0 H TRP A 54 2.026 -0.278 -8.770 1.00 0.00 H new ATOM 0 HA TRP A 54 2.351 -1.287 -6.184 1.00 0.00 H new ATOM 0 HB2 TRP A 54 2.673 -2.581 -8.265 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.066 -1.602 -8.682 1.00 0.00 H new ATOM 0 HD1 TRP A 54 6.352 -2.025 -7.247 1.00 0.00 H new ATOM 0 HE1 TRP A 54 7.173 -4.040 -5.849 1.00 0.00 H new ATOM 0 HE3 TRP A 54 1.878 -4.435 -6.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 6.026 -6.333 -4.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.821 -6.542 -5.440 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.866 -7.471 -4.443 1.00 0.00 H new ATOM 858 N ASN A 55 4.810 0.656 -7.234 1.00 0.00 N ATOM 859 CA ASN A 55 5.962 1.445 -6.807 1.00 0.00 C ATOM 860 C ASN A 55 5.544 2.486 -5.765 1.00 0.00 C ATOM 861 O ASN A 55 6.305 2.818 -4.856 1.00 0.00 O ATOM 862 CB ASN A 55 6.605 2.127 -8.020 1.00 0.00 C ATOM 863 CG ASN A 55 7.906 2.838 -7.688 1.00 0.00 C ATOM 864 OD1 ASN A 55 7.914 4.019 -7.350 1.00 0.00 O ATOM 865 ND2 ASN A 55 9.018 2.125 -7.796 1.00 0.00 N ATOM 0 H ASN A 55 4.597 0.730 -8.229 1.00 0.00 H new ATOM 0 HA ASN A 55 6.693 0.780 -6.348 1.00 0.00 H new ATOM 0 HB2 ASN A 55 6.793 1.380 -8.791 1.00 0.00 H new ATOM 0 HB3 ASN A 55 5.902 2.847 -8.439 1.00 0.00 H new ATOM 0 HD21 ASN A 55 9.921 2.555 -7.596 1.00 0.00 H new ATOM 0 HD22 ASN A 55 8.971 1.146 -8.080 1.00 0.00 H new ATOM 872 N LEU A 56 4.328 2.999 -5.913 1.00 0.00 N ATOM 873 CA LEU A 56 3.762 3.947 -4.960 1.00 0.00 C ATOM 874 C LEU A 56 3.328 3.254 -3.663 1.00 0.00 C ATOM 875 O LEU A 56 3.383 3.849 -2.587 1.00 0.00 O ATOM 876 CB LEU A 56 2.566 4.672 -5.588 1.00 0.00 C ATOM 877 CG LEU A 56 2.901 5.582 -6.772 1.00 0.00 C ATOM 878 CD1 LEU A 56 1.634 6.210 -7.329 1.00 0.00 C ATOM 879 CD2 LEU A 56 3.893 6.659 -6.353 1.00 0.00 C ATOM 0 H LEU A 56 3.710 2.772 -6.692 1.00 0.00 H new ATOM 0 HA LEU A 56 4.538 4.670 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 56 1.842 3.926 -5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.079 5.270 -4.818 1.00 0.00 H new ATOM 0 HG LEU A 56 3.361 4.979 -7.555 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.887 6.855 -8.171 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.956 5.425 -7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.149 6.801 -6.552 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.120 7.297 -7.207 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.460 7.262 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.810 6.190 -5.997 1.00 0.00 H new ATOM 891 N SER A 57 2.910 2.001 -3.774 1.00 0.00 N ATOM 892 CA SER A 57 2.312 1.280 -2.655 1.00 0.00 C ATOM 893 C SER A 57 3.363 0.661 -1.737 1.00 0.00 C ATOM 894 O SER A 57 3.296 0.831 -0.521 1.00 0.00 O ATOM 895 CB SER A 57 1.366 0.194 -3.178 1.00 0.00 C ATOM 896 OG SER A 57 0.727 -0.485 -2.114 1.00 0.00 O ATOM 0 H SER A 57 2.974 1.457 -4.635 1.00 0.00 H new ATOM 0 HA SER A 57 1.751 2.004 -2.064 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.616 0.644 -3.828 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.926 -0.519 -3.783 1.00 0.00 H new ATOM 0 HG SER A 57 -0.022 0.054 -1.785 1.00 0.00 H new ATOM 902 N ASP A 58 4.310 -0.072 -2.313 1.00 0.00 N ATOM 903 CA ASP A 58 5.323 -0.765 -1.520 1.00 0.00 C ATOM 904 C ASP A 58 6.254 0.252 -0.869 1.00 0.00 C ATOM 905 O ASP A 58 6.991 0.967 -1.557 1.00 0.00 O ATOM 906 CB ASP A 58 6.117 -1.743 -2.397 1.00 0.00 C ATOM 907 CG ASP A 58 7.013 -2.680 -1.597 1.00 0.00 C ATOM 908 OD1 ASP A 58 7.270 -2.410 -0.405 1.00 0.00 O ATOM 909 OD2 ASP A 58 7.474 -3.695 -2.167 1.00 0.00 O ATOM 0 H ASP A 58 4.399 -0.202 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 58 4.828 -1.339 -0.737 1.00 0.00 H new ATOM 0 HB2 ASP A 58 5.421 -2.336 -2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 58 6.730 -1.176 -3.098 1.00 0.00 H new ATOM 914 N ILE A 59 6.199 0.333 0.454 1.00 0.00 N ATOM 915 CA ILE A 59 6.973 1.326 1.184 1.00 0.00 C ATOM 916 C ILE A 59 8.329 0.757 1.599 1.00 0.00 C ATOM 917 O ILE A 59 9.292 1.496 1.829 1.00 0.00 O ATOM 918 CB ILE A 59 6.215 1.825 2.440 1.00 0.00 C ATOM 919 CG1 ILE A 59 4.797 2.286 2.076 1.00 0.00 C ATOM 920 CG2 ILE A 59 6.979 2.962 3.110 1.00 0.00 C ATOM 921 CD1 ILE A 59 4.754 3.451 1.108 1.00 0.00 C ATOM 0 H ILE A 59 5.628 -0.275 1.041 1.00 0.00 H new ATOM 0 HA ILE A 59 7.127 2.172 0.514 1.00 0.00 H new ATOM 0 HB ILE A 59 6.139 0.993 3.140 1.00 0.00 H new ATOM 0 HG12 ILE A 59 4.254 1.447 1.642 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.272 2.567 2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 59 6.431 3.299 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 59 7.966 2.610 3.410 1.00 0.00 H new ATOM 0 HG23 ILE A 59 7.086 3.790 2.410 1.00 0.00 H new ATOM 0 HD11 ILE A 59 3.717 3.715 0.902 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.267 4.307 1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 59 5.248 3.170 0.178 1.00 0.00 H new ATOM 933 N ASP A 60 8.417 -0.560 1.682 1.00 0.00 N ATOM 934 CA ASP A 60 9.656 -1.194 2.109 1.00 0.00 C ATOM 935 C ASP A 60 10.473 -1.635 0.903 1.00 0.00 C ATOM 936 O ASP A 60 11.678 -1.883 1.014 1.00 0.00 O ATOM 937 CB ASP A 60 9.376 -2.390 3.024 1.00 0.00 C ATOM 938 CG ASP A 60 10.647 -2.953 3.629 1.00 0.00 C ATOM 939 OD1 ASP A 60 11.426 -2.167 4.211 1.00 0.00 O ATOM 940 OD2 ASP A 60 10.889 -4.172 3.512 1.00 0.00 O ATOM 0 H ASP A 60 7.658 -1.205 1.463 1.00 0.00 H new ATOM 0 HA ASP A 60 10.231 -0.460 2.674 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.699 -2.085 3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.869 -3.170 2.456 1.00 0.00 H new ATOM 945 N GLN A 61 9.805 -1.709 -0.250 1.00 0.00 N ATOM 946 CA GLN A 61 10.417 -2.166 -1.496 1.00 0.00 C ATOM 947 C GLN A 61 10.772 -3.641 -1.363 1.00 0.00 C ATOM 948 O GLN A 61 11.724 -4.132 -1.971 1.00 0.00 O ATOM 949 CB GLN A 61 11.660 -1.337 -1.844 1.00 0.00 C ATOM 950 CG GLN A 61 11.384 0.155 -1.984 1.00 0.00 C ATOM 951 CD GLN A 61 12.629 0.955 -2.315 1.00 0.00 C ATOM 952 OE1 GLN A 61 12.956 1.167 -3.483 1.00 0.00 O ATOM 953 NE2 GLN A 61 13.337 1.403 -1.288 1.00 0.00 N ATOM 0 H GLN A 61 8.822 -1.453 -0.344 1.00 0.00 H new ATOM 0 HA GLN A 61 9.704 -2.034 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 61 12.413 -1.487 -1.071 1.00 0.00 H new ATOM 0 HB3 GLN A 61 12.083 -1.708 -2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 61 10.640 0.310 -2.765 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.954 0.529 -1.055 1.00 0.00 H new ATOM 0 HE21 GLN A 61 13.033 1.206 -0.334 1.00 0.00 H new ATOM 0 HE22 GLN A 61 14.186 1.944 -1.451 1.00 0.00 H new ATOM 962 N ASP A 62 9.964 -4.342 -0.580 1.00 0.00 N ATOM 963 CA ASP A 62 10.229 -5.729 -0.234 1.00 0.00 C ATOM 964 C ASP A 62 9.617 -6.666 -1.266 1.00 0.00 C ATOM 965 O ASP A 62 9.889 -7.872 -1.273 1.00 0.00 O ATOM 966 CB ASP A 62 9.665 -6.033 1.157 1.00 0.00 C ATOM 967 CG ASP A 62 10.115 -7.377 1.692 1.00 0.00 C ATOM 968 OD1 ASP A 62 11.337 -7.598 1.797 1.00 0.00 O ATOM 969 OD2 ASP A 62 9.252 -8.218 2.026 1.00 0.00 O ATOM 0 H ASP A 62 9.110 -3.966 -0.169 1.00 0.00 H new ATOM 0 HA ASP A 62 11.307 -5.888 -0.225 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.975 -5.250 1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 62 8.576 -6.010 1.116 1.00 0.00 H new ATOM 974 N GLY A 63 8.786 -6.105 -2.137 1.00 0.00 N ATOM 975 CA GLY A 63 8.133 -6.896 -3.159 1.00 0.00 C ATOM 976 C GLY A 63 6.963 -7.660 -2.590 1.00 0.00 C ATOM 977 O GLY A 63 6.577 -8.709 -3.108 1.00 0.00 O ATOM 0 H GLY A 63 8.553 -5.112 -2.152 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.790 -6.245 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 63 8.848 -7.593 -3.596 1.00 0.00 H new ATOM 981 N LYS A 64 6.415 -7.132 -1.503 1.00 0.00 N ATOM 982 CA LYS A 64 5.295 -7.748 -0.809 1.00 0.00 C ATOM 983 C LYS A 64 4.390 -6.656 -0.266 1.00 0.00 C ATOM 984 O LYS A 64 4.856 -5.557 0.033 1.00 0.00 O ATOM 985 CB LYS A 64 5.785 -8.641 0.342 1.00 0.00 C ATOM 986 CG LYS A 64 6.807 -9.683 -0.082 1.00 0.00 C ATOM 987 CD LYS A 64 7.293 -10.508 1.091 1.00 0.00 C ATOM 988 CE LYS A 64 8.578 -11.245 0.743 1.00 0.00 C ATOM 989 NZ LYS A 64 9.670 -10.302 0.369 1.00 0.00 N ATOM 0 H LYS A 64 6.737 -6.262 -1.078 1.00 0.00 H new ATOM 0 HA LYS A 64 4.745 -8.375 -1.511 1.00 0.00 H new ATOM 0 HB2 LYS A 64 6.222 -8.011 1.117 1.00 0.00 H new ATOM 0 HB3 LYS A 64 4.928 -9.146 0.787 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.365 -10.341 -0.830 1.00 0.00 H new ATOM 0 HG3 LYS A 64 7.656 -9.188 -0.554 1.00 0.00 H new ATOM 0 HD2 LYS A 64 7.463 -9.860 1.951 1.00 0.00 H new ATOM 0 HD3 LYS A 64 6.525 -11.225 1.379 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.894 -11.848 1.594 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.392 -11.932 -0.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 10.563 -10.826 0.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.437 -9.842 -0.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.773 -9.579 1.109 1.00 0.00 H new ATOM 1003 N LEU A 65 3.110 -6.953 -0.136 1.00 0.00 N ATOM 1004 CA LEU A 65 2.144 -5.966 0.323 1.00 0.00 C ATOM 1005 C LEU A 65 1.420 -6.446 1.572 1.00 0.00 C ATOM 1006 O LEU A 65 0.736 -7.473 1.551 1.00 0.00 O ATOM 1007 CB LEU A 65 1.125 -5.657 -0.782 1.00 0.00 C ATOM 1008 CG LEU A 65 1.670 -4.868 -1.977 1.00 0.00 C ATOM 1009 CD1 LEU A 65 0.547 -4.525 -2.944 1.00 0.00 C ATOM 1010 CD2 LEU A 65 2.376 -3.601 -1.515 1.00 0.00 C ATOM 0 H LEU A 65 2.713 -7.870 -0.341 1.00 0.00 H new ATOM 0 HA LEU A 65 2.691 -5.056 0.569 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.714 -6.598 -1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.299 -5.096 -0.344 1.00 0.00 H new ATOM 0 HG LEU A 65 2.397 -5.494 -2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 65 0.951 -3.965 -3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.086 -5.444 -3.307 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.202 -3.921 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 65 2.754 -3.058 -2.382 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.673 -2.971 -0.971 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.207 -3.865 -0.862 1.00 0.00 H new ATOM 1022 N THR A 66 1.579 -5.712 2.662 1.00 0.00 N ATOM 1023 CA THR A 66 0.841 -5.999 3.884 1.00 0.00 C ATOM 1024 C THR A 66 -0.614 -5.552 3.733 1.00 0.00 C ATOM 1025 O THR A 66 -1.041 -5.175 2.641 1.00 0.00 O ATOM 1026 CB THR A 66 1.461 -5.287 5.099 1.00 0.00 C ATOM 1027 OG1 THR A 66 1.470 -3.873 4.885 1.00 0.00 O ATOM 1028 CG2 THR A 66 2.883 -5.763 5.365 1.00 0.00 C ATOM 0 H THR A 66 2.211 -4.914 2.727 1.00 0.00 H new ATOM 0 HA THR A 66 0.888 -7.075 4.052 1.00 0.00 H new ATOM 0 HB THR A 66 0.850 -5.530 5.969 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.246 -3.630 4.337 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.287 -5.237 6.230 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.877 -6.835 5.562 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.504 -5.558 4.493 1.00 0.00 H new ATOM 1036 N ALA A 67 -1.370 -5.580 4.826 1.00 0.00 N ATOM 1037 CA ALA A 67 -2.777 -5.195 4.788 1.00 0.00 C ATOM 1038 C ALA A 67 -2.932 -3.713 4.462 1.00 0.00 C ATOM 1039 O ALA A 67 -3.641 -3.350 3.522 1.00 0.00 O ATOM 1040 CB ALA A 67 -3.458 -5.526 6.110 1.00 0.00 C ATOM 0 H ALA A 67 -1.034 -5.864 5.746 1.00 0.00 H new ATOM 0 HA ALA A 67 -3.261 -5.766 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -4.506 -5.232 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.390 -6.598 6.296 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.966 -4.985 6.918 1.00 0.00 H new ATOM 1046 N GLU A 68 -2.253 -2.865 5.225 1.00 0.00 N ATOM 1047 CA GLU A 68 -2.326 -1.421 5.025 1.00 0.00 C ATOM 1048 C GLU A 68 -1.785 -1.023 3.653 1.00 0.00 C ATOM 1049 O GLU A 68 -2.282 -0.084 3.030 1.00 0.00 O ATOM 1050 CB GLU A 68 -1.553 -0.688 6.126 1.00 0.00 C ATOM 1051 CG GLU A 68 -2.436 -0.049 7.192 1.00 0.00 C ATOM 1052 CD GLU A 68 -3.366 -1.035 7.872 1.00 0.00 C ATOM 1053 OE1 GLU A 68 -2.877 -1.871 8.665 1.00 0.00 O ATOM 1054 OE2 GLU A 68 -4.593 -0.969 7.624 1.00 0.00 O ATOM 0 H GLU A 68 -1.643 -3.153 5.991 1.00 0.00 H new ATOM 0 HA GLU A 68 -3.376 -1.132 5.074 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -0.874 -1.392 6.607 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -0.938 0.087 5.668 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.803 0.420 7.945 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -3.029 0.743 6.735 1.00 0.00 H new ATOM 1061 N GLU A 69 -0.780 -1.743 3.177 1.00 0.00 N ATOM 1062 CA GLU A 69 -0.196 -1.455 1.875 1.00 0.00 C ATOM 1063 C GLU A 69 -1.145 -1.887 0.765 1.00 0.00 C ATOM 1064 O GLU A 69 -1.331 -1.175 -0.218 1.00 0.00 O ATOM 1065 CB GLU A 69 1.158 -2.144 1.728 1.00 0.00 C ATOM 1066 CG GLU A 69 2.204 -1.628 2.704 1.00 0.00 C ATOM 1067 CD GLU A 69 3.491 -2.418 2.651 1.00 0.00 C ATOM 1068 OE1 GLU A 69 3.463 -3.615 3.021 1.00 0.00 O ATOM 1069 OE2 GLU A 69 4.526 -1.848 2.249 1.00 0.00 O ATOM 0 H GLU A 69 -0.353 -2.527 3.670 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.038 -0.379 1.795 1.00 0.00 H new ATOM 0 HB2 GLU A 69 1.030 -3.216 1.876 1.00 0.00 H new ATOM 0 HB3 GLU A 69 1.521 -2.004 0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 69 2.415 -0.582 2.484 1.00 0.00 H new ATOM 0 HG3 GLU A 69 1.801 -1.666 3.716 1.00 0.00 H new ATOM 1076 N PHE A 70 -1.761 -3.050 0.940 1.00 0.00 N ATOM 1077 CA PHE A 70 -2.768 -3.535 0.008 1.00 0.00 C ATOM 1078 C PHE A 70 -3.925 -2.541 -0.067 1.00 0.00 C ATOM 1079 O PHE A 70 -4.436 -2.245 -1.150 1.00 0.00 O ATOM 1080 CB PHE A 70 -3.268 -4.911 0.457 1.00 0.00 C ATOM 1081 CG PHE A 70 -4.336 -5.499 -0.420 1.00 0.00 C ATOM 1082 CD1 PHE A 70 -5.672 -5.224 -0.181 1.00 0.00 C ATOM 1083 CD2 PHE A 70 -4.005 -6.332 -1.476 1.00 0.00 C ATOM 1084 CE1 PHE A 70 -6.656 -5.765 -0.977 1.00 0.00 C ATOM 1085 CE2 PHE A 70 -4.989 -6.882 -2.276 1.00 0.00 C ATOM 1086 CZ PHE A 70 -6.318 -6.597 -2.026 1.00 0.00 C ATOM 0 H PHE A 70 -1.578 -3.677 1.724 1.00 0.00 H new ATOM 0 HA PHE A 70 -2.328 -3.631 -0.985 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.423 -5.598 0.490 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -3.653 -4.830 1.474 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.945 -4.577 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.967 -6.554 -1.676 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.694 -5.539 -0.781 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -4.720 -7.533 -3.095 1.00 0.00 H new ATOM 0 HZ PHE A 70 -7.090 -7.024 -2.649 1.00 0.00 H new ATOM 1096 N ILE A 71 -4.319 -2.024 1.097 1.00 0.00 N ATOM 1097 CA ILE A 71 -5.350 -0.996 1.180 1.00 0.00 C ATOM 1098 C ILE A 71 -4.975 0.218 0.335 1.00 0.00 C ATOM 1099 O ILE A 71 -5.791 0.725 -0.435 1.00 0.00 O ATOM 1100 CB ILE A 71 -5.583 -0.556 2.645 1.00 0.00 C ATOM 1101 CG1 ILE A 71 -6.253 -1.686 3.432 1.00 0.00 C ATOM 1102 CG2 ILE A 71 -6.419 0.718 2.715 1.00 0.00 C ATOM 1103 CD1 ILE A 71 -6.461 -1.367 4.897 1.00 0.00 C ATOM 0 H ILE A 71 -3.935 -2.304 1.999 1.00 0.00 H new ATOM 0 HA ILE A 71 -6.273 -1.428 0.793 1.00 0.00 H new ATOM 0 HB ILE A 71 -4.614 -0.339 3.094 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -7.218 -1.911 2.978 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -5.644 -2.586 3.348 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -6.565 1.001 3.758 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -5.902 1.521 2.190 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -7.388 0.543 2.248 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -6.940 -2.213 5.389 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -5.497 -1.172 5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -7.096 -0.486 4.991 1.00 0.00 H new ATOM 1115 N LEU A 72 -3.732 0.665 0.476 1.00 0.00 N ATOM 1116 CA LEU A 72 -3.233 1.803 -0.281 1.00 0.00 C ATOM 1117 C LEU A 72 -3.288 1.526 -1.783 1.00 0.00 C ATOM 1118 O LEU A 72 -3.858 2.309 -2.546 1.00 0.00 O ATOM 1119 CB LEU A 72 -1.797 2.123 0.143 1.00 0.00 C ATOM 1120 CG LEU A 72 -1.155 3.315 -0.571 1.00 0.00 C ATOM 1121 CD1 LEU A 72 -1.933 4.590 -0.288 1.00 0.00 C ATOM 1122 CD2 LEU A 72 0.299 3.469 -0.150 1.00 0.00 C ATOM 0 H LEU A 72 -3.049 0.253 1.112 1.00 0.00 H new ATOM 0 HA LEU A 72 -3.870 2.662 -0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.786 2.314 1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.180 1.241 -0.030 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.183 3.129 -1.645 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.461 5.426 -0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.958 4.477 -0.642 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.938 4.782 0.785 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.739 4.321 -0.668 1.00 0.00 H new ATOM 0 HD22 LEU A 72 0.351 3.632 0.927 1.00 0.00 H new ATOM 0 HD23 LEU A 72 0.850 2.564 -0.407 1.00 0.00 H new ATOM 1134 N ALA A 73 -2.709 0.400 -2.192 1.00 0.00 N ATOM 1135 CA ALA A 73 -2.646 0.028 -3.600 1.00 0.00 C ATOM 1136 C ALA A 73 -4.034 -0.063 -4.223 1.00 0.00 C ATOM 1137 O ALA A 73 -4.313 0.584 -5.230 1.00 0.00 O ATOM 1138 CB ALA A 73 -1.914 -1.296 -3.763 1.00 0.00 C ATOM 0 H ALA A 73 -2.274 -0.274 -1.562 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.097 0.811 -4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.874 -1.562 -4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.900 -1.202 -3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.443 -2.074 -3.213 1.00 0.00 H new ATOM 1144 N MET A 74 -4.912 -0.843 -3.609 1.00 0.00 N ATOM 1145 CA MET A 74 -6.243 -1.068 -4.159 1.00 0.00 C ATOM 1146 C MET A 74 -7.069 0.211 -4.159 1.00 0.00 C ATOM 1147 O MET A 74 -7.948 0.388 -5.001 1.00 0.00 O ATOM 1148 CB MET A 74 -6.967 -2.164 -3.384 1.00 0.00 C ATOM 1149 CG MET A 74 -6.353 -3.541 -3.574 1.00 0.00 C ATOM 1150 SD MET A 74 -6.434 -4.120 -5.282 1.00 0.00 S ATOM 1151 CE MET A 74 -8.206 -4.251 -5.518 1.00 0.00 C ATOM 0 H MET A 74 -4.728 -1.330 -2.732 1.00 0.00 H new ATOM 0 HA MET A 74 -6.121 -1.390 -5.193 1.00 0.00 H new ATOM 0 HB2 MET A 74 -6.960 -1.914 -2.323 1.00 0.00 H new ATOM 0 HB3 MET A 74 -8.010 -2.193 -3.698 1.00 0.00 H new ATOM 0 HG2 MET A 74 -5.311 -3.516 -3.254 1.00 0.00 H new ATOM 0 HG3 MET A 74 -6.867 -4.254 -2.930 1.00 0.00 H new ATOM 0 HE1 MET A 74 -8.412 -4.884 -6.381 1.00 0.00 H new ATOM 0 HE2 MET A 74 -8.660 -4.690 -4.630 1.00 0.00 H new ATOM 0 HE3 MET A 74 -8.625 -3.259 -5.687 1.00 0.00 H new ATOM 1161 N HIS A 75 -6.782 1.105 -3.224 1.00 0.00 N ATOM 1162 CA HIS A 75 -7.462 2.392 -3.191 1.00 0.00 C ATOM 1163 C HIS A 75 -7.021 3.240 -4.376 1.00 0.00 C ATOM 1164 O HIS A 75 -7.810 3.998 -4.934 1.00 0.00 O ATOM 1165 CB HIS A 75 -7.192 3.126 -1.875 1.00 0.00 C ATOM 1166 CG HIS A 75 -7.975 4.393 -1.724 1.00 0.00 C ATOM 1167 ND1 HIS A 75 -9.324 4.417 -1.442 1.00 0.00 N ATOM 1168 CD2 HIS A 75 -7.592 5.687 -1.821 1.00 0.00 C ATOM 1169 CE1 HIS A 75 -9.734 5.668 -1.375 1.00 0.00 C ATOM 1170 NE2 HIS A 75 -8.702 6.460 -1.601 1.00 0.00 N ATOM 0 H HIS A 75 -6.091 0.966 -2.486 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.536 2.216 -3.258 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -7.427 2.462 -1.043 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -6.129 3.356 -1.808 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.595 6.045 -2.033 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.744 5.991 -1.170 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.727 7.480 -1.610 1.00 0.00 H new ATOM 1179 N LEU A 76 -5.757 3.103 -4.760 1.00 0.00 N ATOM 1180 CA LEU A 76 -5.241 3.789 -5.937 1.00 0.00 C ATOM 1181 C LEU A 76 -5.851 3.185 -7.199 1.00 0.00 C ATOM 1182 O LEU A 76 -6.129 3.896 -8.165 1.00 0.00 O ATOM 1183 CB LEU A 76 -3.714 3.707 -5.983 1.00 0.00 C ATOM 1184 CG LEU A 76 -2.989 4.374 -4.809 1.00 0.00 C ATOM 1185 CD1 LEU A 76 -1.486 4.168 -4.920 1.00 0.00 C ATOM 1186 CD2 LEU A 76 -3.321 5.858 -4.751 1.00 0.00 C ATOM 0 H LEU A 76 -5.072 2.524 -4.274 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.520 4.841 -5.881 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.423 2.657 -6.019 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.369 4.165 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.331 3.907 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.990 4.649 -4.077 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.263 3.101 -4.911 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.126 4.606 -5.851 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.798 6.315 -3.911 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -3.008 6.337 -5.678 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.396 5.986 -4.621 1.00 0.00 H new ATOM 1198 N ILE A 77 -6.064 1.869 -7.176 1.00 0.00 N ATOM 1199 CA ILE A 77 -6.795 1.185 -8.241 1.00 0.00 C ATOM 1200 C ILE A 77 -8.197 1.779 -8.373 1.00 0.00 C ATOM 1201 O ILE A 77 -8.671 2.045 -9.479 1.00 0.00 O ATOM 1202 CB ILE A 77 -6.892 -0.350 -7.981 1.00 0.00 C ATOM 1203 CG1 ILE A 77 -5.714 -1.095 -8.615 1.00 0.00 C ATOM 1204 CG2 ILE A 77 -8.205 -0.924 -8.497 1.00 0.00 C ATOM 1205 CD1 ILE A 77 -4.387 -0.859 -7.932 1.00 0.00 C ATOM 0 H ILE A 77 -5.739 1.255 -6.429 1.00 0.00 H new ATOM 0 HA ILE A 77 -6.244 1.331 -9.170 1.00 0.00 H new ATOM 0 HB ILE A 77 -6.856 -0.492 -6.901 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -5.928 -2.164 -8.606 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -5.630 -0.795 -9.660 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -8.237 -1.995 -8.298 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -9.039 -0.436 -7.992 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -8.280 -0.752 -9.571 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.608 -1.424 -8.445 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.145 0.203 -7.964 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.449 -1.186 -6.894 1.00 0.00 H new ATOM 1217 N ASP A 78 -8.840 2.005 -7.235 1.00 0.00 N ATOM 1218 CA ASP A 78 -10.185 2.568 -7.201 1.00 0.00 C ATOM 1219 C ASP A 78 -10.191 3.979 -7.788 1.00 0.00 C ATOM 1220 O ASP A 78 -11.088 4.347 -8.550 1.00 0.00 O ATOM 1221 CB ASP A 78 -10.703 2.587 -5.764 1.00 0.00 C ATOM 1222 CG ASP A 78 -12.167 2.958 -5.672 1.00 0.00 C ATOM 1223 OD1 ASP A 78 -12.480 4.166 -5.602 1.00 0.00 O ATOM 1224 OD2 ASP A 78 -13.015 2.040 -5.636 1.00 0.00 O ATOM 0 H ASP A 78 -8.448 1.805 -6.315 1.00 0.00 H new ATOM 0 HA ASP A 78 -10.842 1.944 -7.806 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -10.553 1.605 -5.316 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -10.116 3.296 -5.181 1.00 0.00 H new ATOM 1229 N VAL A 79 -9.172 4.759 -7.442 1.00 0.00 N ATOM 1230 CA VAL A 79 -9.014 6.104 -7.986 1.00 0.00 C ATOM 1231 C VAL A 79 -8.821 6.049 -9.500 1.00 0.00 C ATOM 1232 O VAL A 79 -9.448 6.806 -10.245 1.00 0.00 O ATOM 1233 CB VAL A 79 -7.819 6.841 -7.335 1.00 0.00 C ATOM 1234 CG1 VAL A 79 -7.616 8.216 -7.956 1.00 0.00 C ATOM 1235 CG2 VAL A 79 -8.019 6.969 -5.834 1.00 0.00 C ATOM 0 H VAL A 79 -8.442 4.482 -6.786 1.00 0.00 H new ATOM 0 HA VAL A 79 -9.924 6.658 -7.758 1.00 0.00 H new ATOM 0 HB VAL A 79 -6.924 6.247 -7.520 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.770 8.710 -7.478 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -7.418 8.108 -9.022 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -8.514 8.816 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -7.167 7.490 -5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -8.930 7.533 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.103 5.976 -5.392 1.00 0.00 H new ATOM 1245 N ALA A 80 -7.975 5.132 -9.950 1.00 0.00 N ATOM 1246 CA ALA A 80 -7.734 4.941 -11.374 1.00 0.00 C ATOM 1247 C ALA A 80 -9.014 4.502 -12.087 1.00 0.00 C ATOM 1248 O ALA A 80 -9.336 4.993 -13.168 1.00 0.00 O ATOM 1249 CB ALA A 80 -6.628 3.922 -11.587 1.00 0.00 C ATOM 0 H ALA A 80 -7.442 4.506 -9.346 1.00 0.00 H new ATOM 0 HA ALA A 80 -7.418 5.893 -11.801 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.457 3.788 -12.655 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.712 4.276 -11.115 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.920 2.970 -11.144 1.00 0.00 H new ATOM 1255 N MET A 81 -9.752 3.592 -11.455 1.00 0.00 N ATOM 1256 CA MET A 81 -11.028 3.117 -11.985 1.00 0.00 C ATOM 1257 C MET A 81 -12.040 4.252 -12.094 1.00 0.00 C ATOM 1258 O MET A 81 -12.954 4.206 -12.918 1.00 0.00 O ATOM 1259 CB MET A 81 -11.586 2.008 -11.094 1.00 0.00 C ATOM 1260 CG MET A 81 -11.549 0.636 -11.739 1.00 0.00 C ATOM 1261 SD MET A 81 -12.731 0.478 -13.090 1.00 0.00 S ATOM 1262 CE MET A 81 -12.450 -1.215 -13.598 1.00 0.00 C ATOM 0 H MET A 81 -9.485 3.166 -10.568 1.00 0.00 H new ATOM 0 HA MET A 81 -10.850 2.723 -12.986 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.017 1.979 -10.165 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.616 2.249 -10.830 1.00 0.00 H new ATOM 0 HG2 MET A 81 -10.544 0.441 -12.115 1.00 0.00 H new ATOM 0 HG3 MET A 81 -11.760 -0.122 -10.985 1.00 0.00 H new ATOM 0 HE1 MET A 81 -13.289 -1.557 -14.203 1.00 0.00 H new ATOM 0 HE2 MET A 81 -11.533 -1.271 -14.185 1.00 0.00 H new ATOM 0 HE3 MET A 81 -12.356 -1.849 -12.716 1.00 0.00 H new ATOM 1272 N SER A 82 -11.863 5.276 -11.272 1.00 0.00 N ATOM 1273 CA SER A 82 -12.747 6.432 -11.287 1.00 0.00 C ATOM 1274 C SER A 82 -12.356 7.397 -12.408 1.00 0.00 C ATOM 1275 O SER A 82 -12.952 8.467 -12.559 1.00 0.00 O ATOM 1276 CB SER A 82 -12.697 7.140 -9.931 1.00 0.00 C ATOM 1277 OG SER A 82 -13.029 6.246 -8.877 1.00 0.00 O ATOM 0 H SER A 82 -11.112 5.330 -10.584 1.00 0.00 H new ATOM 0 HA SER A 82 -13.766 6.092 -11.473 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.700 7.548 -9.766 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.390 7.982 -9.930 1.00 0.00 H new ATOM 0 HG SER A 82 -12.362 5.530 -8.833 1.00 0.00 H new ATOM 1283 N GLY A 83 -11.340 7.017 -13.180 1.00 0.00 N ATOM 1284 CA GLY A 83 -10.925 7.809 -14.320 1.00 0.00 C ATOM 1285 C GLY A 83 -9.984 8.931 -13.937 1.00 0.00 C ATOM 1286 O GLY A 83 -9.750 9.849 -14.721 1.00 0.00 O ATOM 0 H GLY A 83 -10.795 6.168 -13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -10.436 7.162 -15.048 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -11.806 8.228 -14.806 1.00 0.00 H new ATOM 1290 N GLN A 84 -9.444 8.860 -12.729 1.00 0.00 N ATOM 1291 CA GLN A 84 -8.565 9.897 -12.228 1.00 0.00 C ATOM 1292 C GLN A 84 -7.106 9.542 -12.504 1.00 0.00 C ATOM 1293 O GLN A 84 -6.739 8.363 -12.510 1.00 0.00 O ATOM 1294 CB GLN A 84 -8.794 10.092 -10.728 1.00 0.00 C ATOM 1295 CG GLN A 84 -10.235 10.427 -10.358 1.00 0.00 C ATOM 1296 CD GLN A 84 -10.779 11.621 -11.123 1.00 0.00 C ATOM 1297 OE1 GLN A 84 -10.621 12.766 -10.704 1.00 0.00 O ATOM 1298 NE2 GLN A 84 -11.444 11.358 -12.238 1.00 0.00 N ATOM 0 H GLN A 84 -9.602 8.091 -12.078 1.00 0.00 H new ATOM 0 HA GLN A 84 -8.791 10.830 -12.744 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -8.497 9.183 -10.205 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -8.143 10.891 -10.373 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -10.866 9.559 -10.552 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -10.292 10.630 -9.289 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.553 10.393 -12.552 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.847 12.120 -12.783 1.00 0.00 H new ATOM 1307 N PRO A 85 -6.263 10.554 -12.762 1.00 0.00 N ATOM 1308 CA PRO A 85 -4.843 10.351 -13.055 1.00 0.00 C ATOM 1309 C PRO A 85 -4.051 9.910 -11.827 1.00 0.00 C ATOM 1310 O PRO A 85 -4.393 10.248 -10.692 1.00 0.00 O ATOM 1311 CB PRO A 85 -4.360 11.730 -13.532 1.00 0.00 C ATOM 1312 CG PRO A 85 -5.597 12.543 -13.734 1.00 0.00 C ATOM 1313 CD PRO A 85 -6.622 11.975 -12.800 1.00 0.00 C ATOM 0 HA PRO A 85 -4.698 9.560 -13.791 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -3.704 12.192 -12.794 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.790 11.647 -14.458 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -5.412 13.595 -13.517 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -5.937 12.486 -14.768 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.570 12.433 -11.812 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -7.636 12.128 -13.169 1.00 0.00 H new ATOM 1321 N LEU A 86 -2.989 9.155 -12.066 1.00 0.00 N ATOM 1322 CA LEU A 86 -2.134 8.667 -10.995 1.00 0.00 C ATOM 1323 C LEU A 86 -1.008 9.656 -10.725 1.00 0.00 C ATOM 1324 O LEU A 86 -0.523 10.317 -11.644 1.00 0.00 O ATOM 1325 CB LEU A 86 -1.555 7.295 -11.360 1.00 0.00 C ATOM 1326 CG LEU A 86 -2.591 6.191 -11.590 1.00 0.00 C ATOM 1327 CD1 LEU A 86 -1.910 4.904 -12.031 1.00 0.00 C ATOM 1328 CD2 LEU A 86 -3.411 5.958 -10.328 1.00 0.00 C ATOM 0 H LEU A 86 -2.698 8.865 -13.000 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.734 8.565 -10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.954 7.401 -12.263 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.881 6.979 -10.563 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.266 6.511 -12.384 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.662 4.131 -12.190 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.368 5.079 -12.960 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.212 4.579 -11.259 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -4.142 5.170 -10.509 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.750 5.659 -9.515 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -3.929 6.878 -10.055 1.00 0.00 H new ATOM 1340 N PRO A 87 -0.605 9.795 -9.454 1.00 0.00 N ATOM 1341 CA PRO A 87 0.493 10.678 -9.065 1.00 0.00 C ATOM 1342 C PRO A 87 1.858 10.111 -9.452 1.00 0.00 C ATOM 1343 O PRO A 87 2.024 8.894 -9.576 1.00 0.00 O ATOM 1344 CB PRO A 87 0.373 10.767 -7.533 1.00 0.00 C ATOM 1345 CG PRO A 87 -0.907 10.081 -7.176 1.00 0.00 C ATOM 1346 CD PRO A 87 -1.200 9.123 -8.293 1.00 0.00 C ATOM 0 HA PRO A 87 0.425 11.644 -9.566 1.00 0.00 H new ATOM 0 HB2 PRO A 87 1.222 10.286 -7.047 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.364 11.806 -7.203 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -0.813 9.554 -6.227 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -1.716 10.803 -7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -0.752 8.145 -8.117 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.271 8.964 -8.421 1.00 0.00 H new ATOM 1354 N PRO A 88 2.852 10.991 -9.656 1.00 0.00 N ATOM 1355 CA PRO A 88 4.230 10.586 -9.930 1.00 0.00 C ATOM 1356 C PRO A 88 4.937 10.140 -8.655 1.00 0.00 C ATOM 1357 O PRO A 88 5.634 9.125 -8.629 1.00 0.00 O ATOM 1358 CB PRO A 88 4.889 11.861 -10.485 1.00 0.00 C ATOM 1359 CG PRO A 88 3.795 12.875 -10.607 1.00 0.00 C ATOM 1360 CD PRO A 88 2.715 12.450 -9.660 1.00 0.00 C ATOM 0 HA PRO A 88 4.282 9.742 -10.618 1.00 0.00 H new ATOM 0 HB2 PRO A 88 5.676 12.215 -9.818 1.00 0.00 H new ATOM 0 HB3 PRO A 88 5.353 11.670 -11.453 1.00 0.00 H new ATOM 0 HG2 PRO A 88 4.160 13.871 -10.358 1.00 0.00 H new ATOM 0 HG3 PRO A 88 3.419 12.920 -11.629 1.00 0.00 H new ATOM 0 HD2 PRO A 88 2.857 12.874 -8.666 1.00 0.00 H new ATOM 0 HD3 PRO A 88 1.729 12.764 -10.002 1.00 0.00 H new ATOM 1368 N VAL A 89 4.753 10.921 -7.604 1.00 0.00 N ATOM 1369 CA VAL A 89 5.291 10.609 -6.293 1.00 0.00 C ATOM 1370 C VAL A 89 4.130 10.553 -5.315 1.00 0.00 C ATOM 1371 O VAL A 89 3.105 11.194 -5.542 1.00 0.00 O ATOM 1372 CB VAL A 89 6.309 11.675 -5.821 1.00 0.00 C ATOM 1373 CG1 VAL A 89 7.078 11.196 -4.600 1.00 0.00 C ATOM 1374 CG2 VAL A 89 7.269 12.050 -6.945 1.00 0.00 C ATOM 0 H VAL A 89 4.224 11.792 -7.637 1.00 0.00 H new ATOM 0 HA VAL A 89 5.816 9.655 -6.343 1.00 0.00 H new ATOM 0 HB VAL A 89 5.748 12.566 -5.540 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.786 11.965 -4.291 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.381 10.996 -3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 89 7.620 10.283 -4.846 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.973 12.801 -6.587 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.816 11.164 -7.267 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.705 12.454 -7.786 1.00 0.00 H new ATOM 1384 N LEU A 90 4.270 9.794 -4.245 1.00 0.00 N ATOM 1385 CA LEU A 90 3.179 9.648 -3.301 1.00 0.00 C ATOM 1386 C LEU A 90 3.184 10.820 -2.324 1.00 0.00 C ATOM 1387 O LEU A 90 4.245 11.261 -1.882 1.00 0.00 O ATOM 1388 CB LEU A 90 3.323 8.327 -2.539 1.00 0.00 C ATOM 1389 CG LEU A 90 2.054 7.822 -1.847 1.00 0.00 C ATOM 1390 CD1 LEU A 90 1.039 7.344 -2.877 1.00 0.00 C ATOM 1391 CD2 LEU A 90 2.390 6.711 -0.864 1.00 0.00 C ATOM 0 H LEU A 90 5.116 9.275 -4.010 1.00 0.00 H new ATOM 0 HA LEU A 90 2.233 9.641 -3.843 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.665 7.562 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 90 4.103 8.445 -1.787 1.00 0.00 H new ATOM 0 HG LEU A 90 1.611 8.648 -1.290 1.00 0.00 H new ATOM 0 HD11 LEU A 90 0.143 6.989 -2.367 1.00 0.00 H new ATOM 0 HD12 LEU A 90 0.776 8.169 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 90 1.470 6.532 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 90 1.477 6.364 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.856 5.882 -1.397 1.00 0.00 H new ATOM 0 HD23 LEU A 90 3.078 7.090 -0.108 1.00 0.00 H new ATOM 1403 N PRO A 91 2.001 11.336 -1.968 1.00 0.00 N ATOM 1404 CA PRO A 91 1.871 12.415 -0.997 1.00 0.00 C ATOM 1405 C PRO A 91 1.919 11.898 0.437 1.00 0.00 C ATOM 1406 O PRO A 91 1.570 10.743 0.696 1.00 0.00 O ATOM 1407 CB PRO A 91 0.486 13.015 -1.300 1.00 0.00 C ATOM 1408 CG PRO A 91 -0.055 12.247 -2.467 1.00 0.00 C ATOM 1409 CD PRO A 91 0.699 10.950 -2.509 1.00 0.00 C ATOM 0 HA PRO A 91 2.685 13.136 -1.078 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -0.174 12.927 -0.437 1.00 0.00 H new ATOM 0 HB3 PRO A 91 0.564 14.076 -1.535 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -1.125 12.071 -2.353 1.00 0.00 H new ATOM 0 HG3 PRO A 91 0.079 12.804 -3.394 1.00 0.00 H new ATOM 0 HD2 PRO A 91 0.219 10.180 -1.906 1.00 0.00 H new ATOM 0 HD3 PRO A 91 0.779 10.557 -3.523 1.00 0.00 H new ATOM 1417 N PRO A 92 2.329 12.750 1.395 1.00 0.00 N ATOM 1418 CA PRO A 92 2.414 12.374 2.814 1.00 0.00 C ATOM 1419 C PRO A 92 1.066 11.936 3.385 1.00 0.00 C ATOM 1420 O PRO A 92 1.004 11.246 4.407 1.00 0.00 O ATOM 1421 CB PRO A 92 2.898 13.653 3.507 1.00 0.00 C ATOM 1422 CG PRO A 92 2.643 14.754 2.536 1.00 0.00 C ATOM 1423 CD PRO A 92 2.756 14.140 1.171 1.00 0.00 C ATOM 0 HA PRO A 92 3.077 11.521 2.962 1.00 0.00 H new ATOM 0 HB2 PRO A 92 2.361 13.821 4.440 1.00 0.00 H new ATOM 0 HB3 PRO A 92 3.957 13.587 3.756 1.00 0.00 H new ATOM 0 HG2 PRO A 92 1.654 15.186 2.688 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.366 15.560 2.662 1.00 0.00 H new ATOM 0 HD2 PRO A 92 2.118 14.646 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 92 3.775 14.192 0.788 1.00 0.00 H new ATOM 1431 N GLU A 93 -0.010 12.324 2.709 1.00 0.00 N ATOM 1432 CA GLU A 93 -1.351 11.965 3.139 1.00 0.00 C ATOM 1433 C GLU A 93 -1.665 10.513 2.796 1.00 0.00 C ATOM 1434 O GLU A 93 -2.556 9.912 3.380 1.00 0.00 O ATOM 1435 CB GLU A 93 -2.385 12.892 2.497 1.00 0.00 C ATOM 1436 CG GLU A 93 -2.193 14.358 2.852 1.00 0.00 C ATOM 1437 CD GLU A 93 -2.301 14.620 4.342 1.00 0.00 C ATOM 1438 OE1 GLU A 93 -1.343 14.299 5.080 1.00 0.00 O ATOM 1439 OE2 GLU A 93 -3.340 15.154 4.784 1.00 0.00 O ATOM 0 H GLU A 93 0.024 12.888 1.860 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.398 12.079 4.222 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.338 12.780 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.382 12.580 2.807 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -1.216 14.688 2.499 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.939 14.955 2.328 1.00 0.00 H new ATOM 1446 N TYR A 94 -0.925 9.942 1.857 1.00 0.00 N ATOM 1447 CA TYR A 94 -1.166 8.565 1.453 1.00 0.00 C ATOM 1448 C TYR A 94 -0.164 7.619 2.101 1.00 0.00 C ATOM 1449 O TYR A 94 -0.178 6.419 1.840 1.00 0.00 O ATOM 1450 CB TYR A 94 -1.117 8.426 -0.064 1.00 0.00 C ATOM 1451 CG TYR A 94 -2.407 8.805 -0.759 1.00 0.00 C ATOM 1452 CD1 TYR A 94 -2.646 10.107 -1.171 1.00 0.00 C ATOM 1453 CD2 TYR A 94 -3.385 7.849 -1.008 1.00 0.00 C ATOM 1454 CE1 TYR A 94 -3.825 10.449 -1.814 1.00 0.00 C ATOM 1455 CE2 TYR A 94 -4.564 8.180 -1.647 1.00 0.00 C ATOM 1456 CZ TYR A 94 -4.781 9.480 -2.049 1.00 0.00 C ATOM 1457 OH TYR A 94 -5.958 9.809 -2.689 1.00 0.00 O ATOM 0 H TYR A 94 -0.161 10.405 1.365 1.00 0.00 H new ATOM 0 HA TYR A 94 -2.165 8.292 1.794 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -0.311 9.051 -0.450 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -0.870 7.395 -0.316 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.901 10.867 -0.988 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -3.220 6.828 -0.696 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -3.995 11.468 -2.130 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -5.312 7.423 -1.831 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.518 9.010 -2.775 1.00 0.00 H new ATOM 1467 N ILE A 95 0.695 8.161 2.950 1.00 0.00 N ATOM 1468 CA ILE A 95 1.668 7.349 3.662 1.00 0.00 C ATOM 1469 C ILE A 95 1.014 6.704 4.879 1.00 0.00 C ATOM 1470 O ILE A 95 0.498 7.401 5.757 1.00 0.00 O ATOM 1471 CB ILE A 95 2.891 8.185 4.109 1.00 0.00 C ATOM 1472 CG1 ILE A 95 3.586 8.808 2.893 1.00 0.00 C ATOM 1473 CG2 ILE A 95 3.874 7.327 4.895 1.00 0.00 C ATOM 1474 CD1 ILE A 95 4.789 9.664 3.240 1.00 0.00 C ATOM 0 H ILE A 95 0.738 9.158 3.162 1.00 0.00 H new ATOM 0 HA ILE A 95 2.020 6.576 2.979 1.00 0.00 H new ATOM 0 HB ILE A 95 2.537 8.985 4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 95 3.902 8.011 2.221 1.00 0.00 H new ATOM 0 HG13 ILE A 95 2.865 9.417 2.348 1.00 0.00 H new ATOM 0 HG21 ILE A 95 4.726 7.935 5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 95 3.380 6.926 5.780 1.00 0.00 H new ATOM 0 HG23 ILE A 95 4.221 6.505 4.269 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.224 10.068 2.326 1.00 0.00 H new ATOM 0 HD12 ILE A 95 4.478 10.484 3.887 1.00 0.00 H new ATOM 0 HD13 ILE A 95 5.531 9.056 3.757 1.00 0.00 H new ATOM 1486 N PRO A 96 1.006 5.362 4.935 1.00 0.00 N ATOM 1487 CA PRO A 96 0.379 4.625 6.034 1.00 0.00 C ATOM 1488 C PRO A 96 1.057 4.902 7.375 1.00 0.00 C ATOM 1489 O PRO A 96 2.259 5.171 7.429 1.00 0.00 O ATOM 1490 CB PRO A 96 0.563 3.151 5.635 1.00 0.00 C ATOM 1491 CG PRO A 96 0.863 3.172 4.174 1.00 0.00 C ATOM 1492 CD PRO A 96 1.590 4.460 3.930 1.00 0.00 C ATOM 0 HA PRO A 96 -0.663 4.913 6.173 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.376 2.690 6.197 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -0.337 2.572 5.843 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.474 2.316 3.887 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -0.053 3.121 3.585 1.00 0.00 H new ATOM 0 HD2 PRO A 96 2.666 4.348 4.064 1.00 0.00 H new ATOM 0 HD3 PRO A 96 1.431 4.828 2.916 1.00 0.00 H new ATOM 1500 N PRO A 97 0.300 4.797 8.479 1.00 0.00 N ATOM 1501 CA PRO A 97 0.800 5.108 9.825 1.00 0.00 C ATOM 1502 C PRO A 97 1.946 4.200 10.258 1.00 0.00 C ATOM 1503 O PRO A 97 2.848 4.620 10.982 1.00 0.00 O ATOM 1504 CB PRO A 97 -0.418 4.883 10.727 1.00 0.00 C ATOM 1505 CG PRO A 97 -1.590 4.956 9.813 1.00 0.00 C ATOM 1506 CD PRO A 97 -1.117 4.400 8.503 1.00 0.00 C ATOM 0 HA PRO A 97 1.206 6.118 9.871 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.366 3.916 11.227 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.477 5.642 11.507 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -2.428 4.379 10.204 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.936 5.984 9.700 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.236 3.318 8.456 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -1.670 4.818 7.662 1.00 0.00 H new ATOM 1514 N SER A 98 1.905 2.957 9.810 1.00 0.00 N ATOM 1515 CA SER A 98 2.898 1.966 10.205 1.00 0.00 C ATOM 1516 C SER A 98 4.218 2.177 9.457 1.00 0.00 C ATOM 1517 O SER A 98 5.277 1.760 9.919 1.00 0.00 O ATOM 1518 CB SER A 98 2.352 0.558 9.937 1.00 0.00 C ATOM 1519 OG SER A 98 3.171 -0.440 10.519 1.00 0.00 O ATOM 0 H SER A 98 1.193 2.606 9.170 1.00 0.00 H new ATOM 0 HA SER A 98 3.098 2.080 11.270 1.00 0.00 H new ATOM 0 HB2 SER A 98 1.341 0.478 10.336 1.00 0.00 H new ATOM 0 HB3 SER A 98 2.284 0.392 8.862 1.00 0.00 H new ATOM 0 HG SER A 98 2.793 -1.324 10.330 1.00 0.00 H new ATOM 1525 N PHE A 99 4.154 2.857 8.318 1.00 0.00 N ATOM 1526 CA PHE A 99 5.312 2.988 7.443 1.00 0.00 C ATOM 1527 C PHE A 99 5.712 4.451 7.264 1.00 0.00 C ATOM 1528 O PHE A 99 6.213 4.845 6.212 1.00 0.00 O ATOM 1529 CB PHE A 99 5.003 2.362 6.081 1.00 0.00 C ATOM 1530 CG PHE A 99 4.693 0.891 6.144 1.00 0.00 C ATOM 1531 CD1 PHE A 99 5.713 -0.048 6.153 1.00 0.00 C ATOM 1532 CD2 PHE A 99 3.382 0.447 6.195 1.00 0.00 C ATOM 1533 CE1 PHE A 99 5.431 -1.399 6.208 1.00 0.00 C ATOM 1534 CE2 PHE A 99 3.095 -0.903 6.253 1.00 0.00 C ATOM 1535 CZ PHE A 99 4.118 -1.827 6.259 1.00 0.00 C ATOM 0 H PHE A 99 3.314 3.325 7.980 1.00 0.00 H new ATOM 0 HA PHE A 99 6.149 2.465 7.906 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.156 2.883 5.636 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.855 2.516 5.419 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.741 0.281 6.117 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.575 1.165 6.189 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.235 -2.120 6.211 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.068 -1.235 6.294 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.894 -2.883 6.303 1.00 0.00 H new ATOM 1545 N ARG A 100 5.513 5.249 8.304 1.00 0.00 N ATOM 1546 CA ARG A 100 5.813 6.676 8.229 1.00 0.00 C ATOM 1547 C ARG A 100 7.315 6.939 8.306 1.00 0.00 C ATOM 1548 O ARG A 100 7.841 7.794 7.594 1.00 0.00 O ATOM 1549 CB ARG A 100 5.120 7.444 9.357 1.00 0.00 C ATOM 1550 CG ARG A 100 3.609 7.318 9.355 1.00 0.00 C ATOM 1551 CD ARG A 100 2.980 8.158 10.457 1.00 0.00 C ATOM 1552 NE ARG A 100 3.586 7.898 11.766 1.00 0.00 N ATOM 1553 CZ ARG A 100 2.978 8.120 12.930 1.00 0.00 C ATOM 1554 NH1 ARG A 100 1.700 8.484 12.965 1.00 0.00 N ATOM 1555 NH2 ARG A 100 3.648 7.946 14.065 1.00 0.00 N ATOM 0 H ARG A 100 5.148 4.938 9.204 1.00 0.00 H new ATOM 0 HA ARG A 100 5.439 7.024 7.266 1.00 0.00 H new ATOM 0 HB2 ARG A 100 5.502 7.087 10.313 1.00 0.00 H new ATOM 0 HB3 ARG A 100 5.386 8.498 9.281 1.00 0.00 H new ATOM 0 HG2 ARG A 100 3.218 7.632 8.388 1.00 0.00 H new ATOM 0 HG3 ARG A 100 3.329 6.273 9.488 1.00 0.00 H new ATOM 0 HD2 ARG A 100 3.088 9.215 10.212 1.00 0.00 H new ATOM 0 HD3 ARG A 100 1.911 7.949 10.505 1.00 0.00 H new ATOM 0 HE ARG A 100 4.534 7.523 11.787 1.00 0.00 H new ATOM 0 HH11 ARG A 100 1.177 8.595 12.096 1.00 0.00 H new ATOM 0 HH12 ARG A 100 1.242 8.652 13.861 1.00 0.00 H new ATOM 0 HH21 ARG A 100 4.622 7.644 14.041 1.00 0.00 H new ATOM 0 HH22 ARG A 100 3.188 8.114 14.960 1.00 0.00 H new