USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 780 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 5 SER OG : rot 180:sc= 0.163 USER MOD Set 1.2: A 97 LYS NZ :NH3+ -179:sc= 1.26 (180deg=1.1) USER MOD Set 2.1: A 38 GLN : amide:sc= 0.969 K(o=0.88,f=-0.11) USER MOD Set 2.2: A 77 MET CE :methyl -148:sc= -0.0914 (180deg=-1.73!) USER MOD Set 3.1: A 47 MET CE :methyl 135:sc= -0.152 (180deg=-0.558) USER MOD Set 3.2: A 56 HIS : no HD1:sc= 1.19 K(o=1,f=-7.4!) USER MOD Set 4.1: A 14 GLN : amide:sc= 1.93 K(o=2.6,f=-5.4!) USER MOD Set 4.2: A 17 THR OG1 : rot -120:sc= 0.671 USER MOD Single : A 1 GLY N :NH3+ -104:sc= 0.0719 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.00116 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 1.18 K(o=1.2,f=-1.9!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0.89 K(o=0.89,f=-0.73) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.067) USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= 2.48 (180deg=1.89) USER MOD Single : A 53 THR OG1 : rot -59:sc= 0.567 USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0.311 X(o=0.31,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 MET CE :methyl -158:sc= 0 (180deg=-0.136) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 178:sc= 1.14 (180deg=1.13) USER MOD Single : A 90 ASN : amide:sc= 0.364 K(o=0.36,f=-3.6!) USER MOD Single : A 91 LYS NZ :NH3+ 174:sc= 0.98 (180deg=0.914) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= 0.832 K(o=0.83,f=-2.5!) USER MOD Single : A 96 ASN : amide:sc=-0.00583 K(o=-0.0058,f=-1.8) USER MOD Single : A 98 ASN : amide:sc=-0.00605 K(o=-0.006,f=-1.4) USER MOD Single : A 100 SER OG : rot 180:sc= 0.00159 USER MOD Single : A 103 SER OG : rot 180:sc= 0.00524 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.324 -4.779 14.077 1.00 0.00 N ATOM 2 CA GLY A 1 -8.942 -4.913 14.593 1.00 0.00 C ATOM 3 C GLY A 1 -8.695 -6.280 15.217 1.00 0.00 C ATOM 4 O GLY A 1 -9.634 -7.038 15.474 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.317 -4.861 13.040 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.919 -5.531 14.480 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.707 -3.851 14.348 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -8.234 -4.753 13.780 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -8.755 -4.137 15.335 1.00 0.00 H new ATOM 10 N SER A 2 -7.426 -6.609 15.469 1.00 0.00 N ATOM 11 CA SER A 2 -6.998 -7.866 16.110 1.00 0.00 C ATOM 12 C SER A 2 -7.238 -7.885 17.630 1.00 0.00 C ATOM 13 O SER A 2 -7.326 -6.840 18.284 1.00 0.00 O ATOM 14 CB SER A 2 -5.524 -8.147 15.781 1.00 0.00 C ATOM 15 OG SER A 2 -4.699 -7.043 16.127 1.00 0.00 O ATOM 0 H SER A 2 -6.645 -5.998 15.229 1.00 0.00 H new ATOM 0 HA SER A 2 -7.620 -8.662 15.700 1.00 0.00 H new ATOM 0 HB2 SER A 2 -5.192 -9.035 16.319 1.00 0.00 H new ATOM 0 HB3 SER A 2 -5.421 -8.362 14.717 1.00 0.00 H new ATOM 0 HG SER A 2 -3.766 -7.250 15.908 1.00 0.00 H new ATOM 21 N SER A 3 -7.352 -9.089 18.200 1.00 0.00 N ATOM 22 CA SER A 3 -7.524 -9.336 19.641 1.00 0.00 C ATOM 23 C SER A 3 -6.187 -9.421 20.400 1.00 0.00 C ATOM 24 O SER A 3 -5.123 -9.630 19.807 1.00 0.00 O ATOM 25 CB SER A 3 -8.369 -10.600 19.854 1.00 0.00 C ATOM 26 OG SER A 3 -7.785 -11.722 19.209 1.00 0.00 O ATOM 0 H SER A 3 -7.327 -9.950 17.654 1.00 0.00 H new ATOM 0 HA SER A 3 -8.049 -8.478 20.060 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.466 -10.800 20.921 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.375 -10.438 19.467 1.00 0.00 H new ATOM 0 HG SER A 3 -8.342 -12.514 19.362 1.00 0.00 H new ATOM 32 N GLY A 4 -6.237 -9.264 21.728 1.00 0.00 N ATOM 33 CA GLY A 4 -5.059 -9.278 22.606 1.00 0.00 C ATOM 34 C GLY A 4 -4.176 -8.025 22.489 1.00 0.00 C ATOM 35 O GLY A 4 -4.614 -6.971 22.018 1.00 0.00 O ATOM 0 H GLY A 4 -7.112 -9.121 22.232 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.390 -9.381 23.639 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.457 -10.157 22.375 1.00 0.00 H new ATOM 39 N SER A 5 -2.924 -8.134 22.941 1.00 0.00 N ATOM 40 CA SER A 5 -1.924 -7.055 22.913 1.00 0.00 C ATOM 41 C SER A 5 -1.357 -6.792 21.507 1.00 0.00 C ATOM 42 O SER A 5 -1.278 -7.698 20.671 1.00 0.00 O ATOM 43 CB SER A 5 -0.801 -7.361 23.912 1.00 0.00 C ATOM 44 OG SER A 5 -0.220 -8.636 23.660 1.00 0.00 O ATOM 0 H SER A 5 -2.565 -8.997 23.348 1.00 0.00 H new ATOM 0 HA SER A 5 -2.432 -6.136 23.207 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.033 -6.590 23.848 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.197 -7.333 24.927 1.00 0.00 H new ATOM 0 HG SER A 5 0.494 -8.804 24.310 1.00 0.00 H new ATOM 50 N SER A 6 -0.922 -5.556 21.251 1.00 0.00 N ATOM 51 CA SER A 6 -0.354 -5.105 19.968 1.00 0.00 C ATOM 52 C SER A 6 0.761 -4.060 20.151 1.00 0.00 C ATOM 53 O SER A 6 0.922 -3.479 21.231 1.00 0.00 O ATOM 54 CB SER A 6 -1.471 -4.554 19.066 1.00 0.00 C ATOM 55 OG SER A 6 -2.102 -3.424 19.656 1.00 0.00 O ATOM 0 H SER A 6 -0.954 -4.814 21.950 1.00 0.00 H new ATOM 0 HA SER A 6 0.105 -5.971 19.491 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.055 -4.276 18.097 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.212 -5.333 18.884 1.00 0.00 H new ATOM 0 HG SER A 6 -2.806 -3.094 19.060 1.00 0.00 H new ATOM 61 N GLY A 7 1.550 -3.826 19.098 1.00 0.00 N ATOM 62 CA GLY A 7 2.651 -2.854 19.081 1.00 0.00 C ATOM 63 C GLY A 7 3.361 -2.755 17.719 1.00 0.00 C ATOM 64 O GLY A 7 3.060 -3.543 16.814 1.00 0.00 O ATOM 0 H GLY A 7 1.439 -4.318 18.212 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.263 -1.872 19.352 1.00 0.00 H new ATOM 0 HA3 GLY A 7 3.380 -3.129 19.843 1.00 0.00 H new ATOM 68 N PRO A 8 4.289 -1.796 17.549 1.00 0.00 N ATOM 69 CA PRO A 8 5.013 -1.575 16.295 1.00 0.00 C ATOM 70 C PRO A 8 6.086 -2.643 16.016 1.00 0.00 C ATOM 71 O PRO A 8 6.520 -3.368 16.918 1.00 0.00 O ATOM 72 CB PRO A 8 5.627 -0.177 16.437 1.00 0.00 C ATOM 73 CG PRO A 8 5.882 -0.065 17.939 1.00 0.00 C ATOM 74 CD PRO A 8 4.689 -0.806 18.543 1.00 0.00 C ATOM 0 HA PRO A 8 4.341 -1.650 15.440 1.00 0.00 H new ATOM 0 HB2 PRO A 8 6.549 -0.081 15.863 1.00 0.00 H new ATOM 0 HB3 PRO A 8 4.949 0.600 16.084 1.00 0.00 H new ATOM 0 HG2 PRO A 8 6.829 -0.524 18.224 1.00 0.00 H new ATOM 0 HG3 PRO A 8 5.920 0.974 18.266 1.00 0.00 H new ATOM 0 HD2 PRO A 8 4.962 -1.285 19.483 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.872 -0.119 18.761 1.00 0.00 H new ATOM 82 N ILE A 9 6.551 -2.720 14.765 1.00 0.00 N ATOM 83 CA ILE A 9 7.669 -3.584 14.348 1.00 0.00 C ATOM 84 C ILE A 9 9.024 -3.055 14.857 1.00 0.00 C ATOM 85 O ILE A 9 9.213 -1.851 15.055 1.00 0.00 O ATOM 86 CB ILE A 9 7.645 -3.809 12.814 1.00 0.00 C ATOM 87 CG1 ILE A 9 8.556 -4.953 12.313 1.00 0.00 C ATOM 88 CG2 ILE A 9 8.007 -2.537 12.033 1.00 0.00 C ATOM 89 CD1 ILE A 9 8.215 -6.329 12.901 1.00 0.00 C ATOM 0 H ILE A 9 6.157 -2.176 13.998 1.00 0.00 H new ATOM 0 HA ILE A 9 7.539 -4.560 14.816 1.00 0.00 H new ATOM 0 HB ILE A 9 6.611 -4.096 12.621 1.00 0.00 H new ATOM 0 HG12 ILE A 9 8.489 -5.007 11.226 1.00 0.00 H new ATOM 0 HG13 ILE A 9 9.591 -4.712 12.556 1.00 0.00 H new ATOM 0 HG21 ILE A 9 7.976 -2.746 10.964 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.292 -1.749 12.270 1.00 0.00 H new ATOM 0 HG23 ILE A 9 9.010 -2.213 12.311 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.900 -7.076 12.499 1.00 0.00 H new ATOM 0 HD12 ILE A 9 8.311 -6.295 13.986 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.192 -6.595 12.636 1.00 0.00 H new ATOM 101 N SER A 10 9.991 -3.956 15.051 1.00 0.00 N ATOM 102 CA SER A 10 11.331 -3.648 15.576 1.00 0.00 C ATOM 103 C SER A 10 12.280 -2.968 14.571 1.00 0.00 C ATOM 104 O SER A 10 13.361 -2.528 14.966 1.00 0.00 O ATOM 105 CB SER A 10 11.993 -4.937 16.088 1.00 0.00 C ATOM 106 OG SER A 10 11.143 -5.636 16.989 1.00 0.00 O ATOM 0 H SER A 10 9.864 -4.946 14.843 1.00 0.00 H new ATOM 0 HA SER A 10 11.169 -2.928 16.378 1.00 0.00 H new ATOM 0 HB2 SER A 10 12.239 -5.581 15.244 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.931 -4.693 16.586 1.00 0.00 H new ATOM 0 HG SER A 10 11.591 -6.452 17.296 1.00 0.00 H new ATOM 112 N GLU A 11 11.921 -2.886 13.283 1.00 0.00 N ATOM 113 CA GLU A 11 12.804 -2.410 12.201 1.00 0.00 C ATOM 114 C GLU A 11 12.122 -1.386 11.275 1.00 0.00 C ATOM 115 O GLU A 11 11.048 -1.650 10.728 1.00 0.00 O ATOM 116 CB GLU A 11 13.307 -3.603 11.364 1.00 0.00 C ATOM 117 CG GLU A 11 14.206 -4.596 12.122 1.00 0.00 C ATOM 118 CD GLU A 11 15.528 -3.988 12.644 1.00 0.00 C ATOM 119 OE1 GLU A 11 16.095 -4.533 13.623 1.00 0.00 O ATOM 120 OE2 GLU A 11 16.039 -2.998 12.063 1.00 0.00 O ATOM 0 H GLU A 11 10.993 -3.153 12.954 1.00 0.00 H new ATOM 0 HA GLU A 11 13.641 -1.905 12.682 1.00 0.00 H new ATOM 0 HB2 GLU A 11 12.444 -4.143 10.973 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.858 -3.219 10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.648 -5.002 12.966 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.440 -5.432 11.463 1.00 0.00 H new ATOM 127 N ARG A 12 12.796 -0.246 11.043 1.00 0.00 N ATOM 128 CA ARG A 12 12.378 0.867 10.159 1.00 0.00 C ATOM 129 C ARG A 12 10.985 1.445 10.490 1.00 0.00 C ATOM 130 O ARG A 12 10.398 1.162 11.535 1.00 0.00 O ATOM 131 CB ARG A 12 12.539 0.443 8.677 1.00 0.00 C ATOM 132 CG ARG A 12 13.957 -0.058 8.343 1.00 0.00 C ATOM 133 CD ARG A 12 14.180 -0.262 6.838 1.00 0.00 C ATOM 134 NE ARG A 12 13.296 -1.306 6.282 1.00 0.00 N ATOM 135 CZ ARG A 12 13.599 -2.258 5.419 1.00 0.00 C ATOM 136 NH1 ARG A 12 14.796 -2.420 4.928 1.00 0.00 N ATOM 137 NH2 ARG A 12 12.664 -3.073 5.032 1.00 0.00 N ATOM 0 H ARG A 12 13.695 -0.062 11.488 1.00 0.00 H new ATOM 0 HA ARG A 12 13.045 1.708 10.347 1.00 0.00 H new ATOM 0 HB2 ARG A 12 11.819 -0.343 8.450 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.299 1.290 8.035 1.00 0.00 H new ATOM 0 HG2 ARG A 12 14.688 0.658 8.720 1.00 0.00 H new ATOM 0 HG3 ARG A 12 14.136 -0.999 8.862 1.00 0.00 H new ATOM 0 HD2 ARG A 12 14.004 0.678 6.315 1.00 0.00 H new ATOM 0 HD3 ARG A 12 15.220 -0.536 6.660 1.00 0.00 H new ATOM 0 HE ARG A 12 12.329 -1.290 6.606 1.00 0.00 H new ATOM 0 HH11 ARG A 12 15.551 -1.794 5.208 1.00 0.00 H new ATOM 0 HH12 ARG A 12 14.977 -3.172 4.264 1.00 0.00 H new ATOM 0 HH21 ARG A 12 11.716 -2.971 5.394 1.00 0.00 H new ATOM 0 HH22 ARG A 12 12.878 -3.815 4.366 1.00 0.00 H new ATOM 151 N ASN A 13 10.454 2.286 9.600 1.00 0.00 N ATOM 152 CA ASN A 13 9.117 2.892 9.674 1.00 0.00 C ATOM 153 C ASN A 13 8.005 2.000 9.075 1.00 0.00 C ATOM 154 O ASN A 13 7.019 2.519 8.553 1.00 0.00 O ATOM 155 CB ASN A 13 9.147 4.302 9.041 1.00 0.00 C ATOM 156 CG ASN A 13 9.403 4.322 7.535 1.00 0.00 C ATOM 157 OD1 ASN A 13 9.893 3.374 6.934 1.00 0.00 O ATOM 158 ND2 ASN A 13 9.113 5.424 6.885 1.00 0.00 N ATOM 0 H ASN A 13 10.966 2.579 8.768 1.00 0.00 H new ATOM 0 HA ASN A 13 8.856 2.988 10.728 1.00 0.00 H new ATOM 0 HB2 ASN A 13 8.195 4.795 9.240 1.00 0.00 H new ATOM 0 HB3 ASN A 13 9.920 4.890 9.535 1.00 0.00 H new ATOM 0 HD21 ASN A 13 9.296 5.489 5.884 1.00 0.00 H new ATOM 0 HD22 ASN A 13 8.705 6.216 7.381 1.00 0.00 H new ATOM 165 N GLN A 14 8.135 0.668 9.119 1.00 0.00 N ATOM 166 CA GLN A 14 7.244 -0.236 8.376 1.00 0.00 C ATOM 167 C GLN A 14 5.773 -0.249 8.838 1.00 0.00 C ATOM 168 O GLN A 14 4.913 -0.705 8.089 1.00 0.00 O ATOM 169 CB GLN A 14 7.844 -1.652 8.305 1.00 0.00 C ATOM 170 CG GLN A 14 8.121 -2.104 6.862 1.00 0.00 C ATOM 171 CD GLN A 14 9.317 -1.386 6.239 1.00 0.00 C ATOM 172 OE1 GLN A 14 10.454 -1.833 6.328 1.00 0.00 O ATOM 173 NE2 GLN A 14 9.137 -0.255 5.591 1.00 0.00 N ATOM 0 H GLN A 14 8.852 0.189 9.664 1.00 0.00 H new ATOM 0 HA GLN A 14 7.189 0.180 7.370 1.00 0.00 H new ATOM 0 HB2 GLN A 14 8.773 -1.678 8.875 1.00 0.00 H new ATOM 0 HB3 GLN A 14 7.160 -2.357 8.778 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.301 -3.179 6.851 1.00 0.00 H new ATOM 0 HG3 GLN A 14 7.236 -1.923 6.252 1.00 0.00 H new ATOM 0 HE21 GLN A 14 8.200 0.139 5.503 1.00 0.00 H new ATOM 0 HE22 GLN A 14 9.934 0.228 5.177 1.00 0.00 H new ATOM 182 N ASP A 15 5.443 0.308 10.009 1.00 0.00 N ATOM 183 CA ASP A 15 4.048 0.560 10.411 1.00 0.00 C ATOM 184 C ASP A 15 3.394 1.704 9.609 1.00 0.00 C ATOM 185 O ASP A 15 2.171 1.749 9.479 1.00 0.00 O ATOM 186 CB ASP A 15 3.978 0.869 11.912 1.00 0.00 C ATOM 187 CG ASP A 15 4.051 -0.406 12.752 1.00 0.00 C ATOM 188 OD1 ASP A 15 5.165 -0.789 13.169 1.00 0.00 O ATOM 189 OD2 ASP A 15 2.982 -1.023 12.976 1.00 0.00 O ATOM 0 H ASP A 15 6.130 0.597 10.705 1.00 0.00 H new ATOM 0 HA ASP A 15 3.487 -0.348 10.192 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.797 1.534 12.186 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.051 1.398 12.132 1.00 0.00 H new ATOM 194 N ALA A 16 4.199 2.604 9.034 1.00 0.00 N ATOM 195 CA ALA A 16 3.772 3.622 8.075 1.00 0.00 C ATOM 196 C ALA A 16 3.814 3.118 6.612 1.00 0.00 C ATOM 197 O ALA A 16 3.437 3.851 5.697 1.00 0.00 O ATOM 198 CB ALA A 16 4.613 4.886 8.304 1.00 0.00 C ATOM 0 H ALA A 16 5.199 2.643 9.232 1.00 0.00 H new ATOM 0 HA ALA A 16 2.722 3.862 8.245 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.309 5.658 7.597 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.460 5.245 9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.667 4.653 8.156 1.00 0.00 H new ATOM 204 N THR A 17 4.239 1.871 6.372 1.00 0.00 N ATOM 205 CA THR A 17 4.165 1.206 5.060 1.00 0.00 C ATOM 206 C THR A 17 2.961 0.261 5.013 1.00 0.00 C ATOM 207 O THR A 17 2.734 -0.526 5.934 1.00 0.00 O ATOM 208 CB THR A 17 5.461 0.444 4.706 1.00 0.00 C ATOM 209 OG1 THR A 17 6.619 1.140 5.116 1.00 0.00 O ATOM 210 CG2 THR A 17 5.618 0.191 3.202 1.00 0.00 C ATOM 0 H THR A 17 4.652 1.283 7.096 1.00 0.00 H new ATOM 0 HA THR A 17 4.043 1.988 4.311 1.00 0.00 H new ATOM 0 HB THR A 17 5.365 -0.503 5.238 1.00 0.00 H new ATOM 0 HG1 THR A 17 7.178 1.334 4.335 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.548 -0.348 3.019 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.777 -0.403 2.843 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.641 1.144 2.673 1.00 0.00 H new ATOM 218 N VAL A 18 2.198 0.299 3.921 1.00 0.00 N ATOM 219 CA VAL A 18 1.120 -0.657 3.625 1.00 0.00 C ATOM 220 C VAL A 18 1.553 -1.620 2.523 1.00 0.00 C ATOM 221 O VAL A 18 2.300 -1.241 1.621 1.00 0.00 O ATOM 222 CB VAL A 18 -0.223 0.033 3.291 1.00 0.00 C ATOM 223 CG1 VAL A 18 -0.613 1.037 4.379 1.00 0.00 C ATOM 224 CG2 VAL A 18 -0.229 0.789 1.961 1.00 0.00 C ATOM 0 H VAL A 18 2.311 1.010 3.198 1.00 0.00 H new ATOM 0 HA VAL A 18 0.937 -1.231 4.534 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.935 -0.789 3.224 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.561 1.507 4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.715 0.519 5.332 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.160 1.801 4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.208 1.242 1.805 1.00 0.00 H new ATOM 0 HG22 VAL A 18 0.533 1.568 1.982 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.016 0.096 1.147 1.00 0.00 H new ATOM 234 N TYR A 19 1.069 -2.855 2.586 1.00 0.00 N ATOM 235 CA TYR A 19 1.172 -3.870 1.537 1.00 0.00 C ATOM 236 C TYR A 19 -0.103 -3.852 0.687 1.00 0.00 C ATOM 237 O TYR A 19 -1.198 -3.665 1.221 1.00 0.00 O ATOM 238 CB TYR A 19 1.384 -5.245 2.192 1.00 0.00 C ATOM 239 CG TYR A 19 1.154 -6.433 1.275 1.00 0.00 C ATOM 240 CD1 TYR A 19 -0.108 -7.063 1.244 1.00 0.00 C ATOM 241 CD2 TYR A 19 2.190 -6.905 0.447 1.00 0.00 C ATOM 242 CE1 TYR A 19 -0.330 -8.165 0.397 1.00 0.00 C ATOM 243 CE2 TYR A 19 1.978 -8.019 -0.388 1.00 0.00 C ATOM 244 CZ TYR A 19 0.716 -8.651 -0.418 1.00 0.00 C ATOM 245 OH TYR A 19 0.500 -9.729 -1.221 1.00 0.00 O ATOM 0 H TYR A 19 0.570 -3.195 3.408 1.00 0.00 H new ATOM 0 HA TYR A 19 2.020 -3.661 0.885 1.00 0.00 H new ATOM 0 HB2 TYR A 19 2.402 -5.294 2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 19 0.715 -5.330 3.048 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -0.907 -6.698 1.873 1.00 0.00 H new ATOM 0 HD2 TYR A 19 3.150 -6.411 0.452 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -1.300 -8.639 0.370 1.00 0.00 H new ATOM 0 HE2 TYR A 19 2.782 -8.390 -1.006 1.00 0.00 H new ATOM 0 HH TYR A 19 1.319 -9.936 -1.718 1.00 0.00 H new ATOM 255 N VAL A 20 0.034 -4.079 -0.621 1.00 0.00 N ATOM 256 CA VAL A 20 -1.066 -4.194 -1.587 1.00 0.00 C ATOM 257 C VAL A 20 -0.867 -5.458 -2.425 1.00 0.00 C ATOM 258 O VAL A 20 0.071 -5.534 -3.218 1.00 0.00 O ATOM 259 CB VAL A 20 -1.157 -2.955 -2.504 1.00 0.00 C ATOM 260 CG1 VAL A 20 -2.444 -3.027 -3.336 1.00 0.00 C ATOM 261 CG2 VAL A 20 -1.153 -1.628 -1.732 1.00 0.00 C ATOM 0 H VAL A 20 0.950 -4.193 -1.056 1.00 0.00 H new ATOM 0 HA VAL A 20 -2.003 -4.256 -1.034 1.00 0.00 H new ATOM 0 HB VAL A 20 -0.270 -2.972 -3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.508 -2.152 -3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.433 -3.930 -3.946 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.307 -3.050 -2.670 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.219 -0.798 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.006 -1.599 -1.055 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.231 -1.544 -1.157 1.00 0.00 H new ATOM 271 N GLY A 21 -1.743 -6.449 -2.271 1.00 0.00 N ATOM 272 CA GLY A 21 -1.710 -7.711 -3.019 1.00 0.00 C ATOM 273 C GLY A 21 -2.866 -7.842 -4.012 1.00 0.00 C ATOM 274 O GLY A 21 -3.978 -7.396 -3.731 1.00 0.00 O ATOM 0 H GLY A 21 -2.516 -6.399 -1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.765 -7.785 -3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -1.743 -8.545 -2.318 1.00 0.00 H new ATOM 278 N GLY A 22 -2.617 -8.480 -5.158 1.00 0.00 N ATOM 279 CA GLY A 22 -3.630 -8.773 -6.186 1.00 0.00 C ATOM 280 C GLY A 22 -3.683 -7.739 -7.316 1.00 0.00 C ATOM 281 O GLY A 22 -4.757 -7.448 -7.843 1.00 0.00 O ATOM 0 H GLY A 22 -1.687 -8.816 -5.407 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -3.426 -9.755 -6.614 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -4.610 -8.829 -5.712 1.00 0.00 H new ATOM 285 N LEU A 23 -2.534 -7.161 -7.673 1.00 0.00 N ATOM 286 CA LEU A 23 -2.395 -6.076 -8.643 1.00 0.00 C ATOM 287 C LEU A 23 -2.589 -6.579 -10.077 1.00 0.00 C ATOM 288 O LEU A 23 -2.304 -7.738 -10.391 1.00 0.00 O ATOM 289 CB LEU A 23 -1.008 -5.426 -8.491 1.00 0.00 C ATOM 290 CG LEU A 23 -0.717 -4.794 -7.120 1.00 0.00 C ATOM 291 CD1 LEU A 23 0.674 -4.172 -7.147 1.00 0.00 C ATOM 292 CD2 LEU A 23 -1.733 -3.716 -6.754 1.00 0.00 C ATOM 0 H LEU A 23 -1.639 -7.449 -7.277 1.00 0.00 H new ATOM 0 HA LEU A 23 -3.170 -5.336 -8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.249 -6.182 -8.691 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -0.901 -4.657 -9.256 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.782 -5.582 -6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.890 -3.721 -6.178 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.414 -4.944 -7.361 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.715 -3.406 -7.921 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.486 -3.299 -5.778 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.709 -2.924 -7.503 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.731 -4.153 -6.720 1.00 0.00 H new ATOM 304 N ASP A 24 -3.036 -5.690 -10.958 1.00 0.00 N ATOM 305 CA ASP A 24 -3.159 -5.959 -12.391 1.00 0.00 C ATOM 306 C ASP A 24 -1.893 -5.541 -13.167 1.00 0.00 C ATOM 307 O ASP A 24 -1.134 -4.679 -12.721 1.00 0.00 O ATOM 308 CB ASP A 24 -4.424 -5.261 -12.913 1.00 0.00 C ATOM 309 CG ASP A 24 -4.659 -5.553 -14.401 1.00 0.00 C ATOM 310 OD1 ASP A 24 -4.260 -4.714 -15.239 1.00 0.00 O ATOM 311 OD2 ASP A 24 -5.182 -6.645 -14.721 1.00 0.00 O ATOM 0 H ASP A 24 -3.328 -4.749 -10.696 1.00 0.00 H new ATOM 0 HA ASP A 24 -3.255 -7.033 -12.552 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -5.287 -5.593 -12.336 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.335 -4.185 -12.763 1.00 0.00 H new ATOM 316 N GLU A 25 -1.652 -6.111 -14.351 1.00 0.00 N ATOM 317 CA GLU A 25 -0.490 -5.785 -15.197 1.00 0.00 C ATOM 318 C GLU A 25 -0.392 -4.298 -15.610 1.00 0.00 C ATOM 319 O GLU A 25 0.701 -3.824 -15.927 1.00 0.00 O ATOM 320 CB GLU A 25 -0.461 -6.710 -16.428 1.00 0.00 C ATOM 321 CG GLU A 25 -1.618 -6.488 -17.415 1.00 0.00 C ATOM 322 CD GLU A 25 -1.520 -7.464 -18.603 1.00 0.00 C ATOM 323 OE1 GLU A 25 -2.056 -8.596 -18.513 1.00 0.00 O ATOM 324 OE2 GLU A 25 -0.910 -7.107 -19.640 1.00 0.00 O ATOM 0 H GLU A 25 -2.262 -6.820 -14.758 1.00 0.00 H new ATOM 0 HA GLU A 25 0.393 -5.960 -14.582 1.00 0.00 H new ATOM 0 HB2 GLU A 25 0.483 -6.565 -16.954 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.482 -7.746 -16.090 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.570 -6.626 -16.903 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -1.598 -5.461 -17.780 1.00 0.00 H new ATOM 331 N LYS A 26 -1.501 -3.543 -15.564 1.00 0.00 N ATOM 332 CA LYS A 26 -1.539 -2.090 -15.813 1.00 0.00 C ATOM 333 C LYS A 26 -1.039 -1.232 -14.636 1.00 0.00 C ATOM 334 O LYS A 26 -0.809 -0.034 -14.813 1.00 0.00 O ATOM 335 CB LYS A 26 -2.962 -1.690 -16.220 1.00 0.00 C ATOM 336 CG LYS A 26 -3.290 -2.218 -17.624 1.00 0.00 C ATOM 337 CD LYS A 26 -4.757 -2.003 -17.996 1.00 0.00 C ATOM 338 CE LYS A 26 -5.157 -0.523 -17.981 1.00 0.00 C ATOM 339 NZ LYS A 26 -6.544 -0.326 -18.476 1.00 0.00 N ATOM 0 H LYS A 26 -2.418 -3.933 -15.348 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.838 -1.887 -16.623 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -3.677 -2.087 -15.500 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.060 -0.605 -16.201 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -2.655 -1.718 -18.355 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -3.057 -3.282 -17.673 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -4.941 -2.415 -18.988 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -5.389 -2.554 -17.300 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -5.073 -0.133 -16.967 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -4.465 0.048 -18.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.781 0.686 -18.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -6.617 -0.676 -19.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -7.207 -0.851 -17.870 1.00 0.00 H new ATOM 353 N VAL A 27 -0.872 -1.807 -13.441 1.00 0.00 N ATOM 354 CA VAL A 27 -0.427 -1.096 -12.225 1.00 0.00 C ATOM 355 C VAL A 27 1.075 -0.778 -12.271 1.00 0.00 C ATOM 356 O VAL A 27 1.881 -1.604 -12.704 1.00 0.00 O ATOM 357 CB VAL A 27 -0.791 -1.890 -10.952 1.00 0.00 C ATOM 358 CG1 VAL A 27 -0.325 -1.190 -9.670 1.00 0.00 C ATOM 359 CG2 VAL A 27 -2.310 -2.089 -10.843 1.00 0.00 C ATOM 0 H VAL A 27 -1.044 -2.800 -13.282 1.00 0.00 H new ATOM 0 HA VAL A 27 -0.959 -0.145 -12.191 1.00 0.00 H new ATOM 0 HB VAL A 27 -0.279 -2.848 -11.046 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.606 -1.790 -8.805 1.00 0.00 H new ATOM 0 HG12 VAL A 27 0.758 -1.072 -9.693 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -0.795 -0.209 -9.599 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -2.539 -2.651 -9.938 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -2.802 -1.117 -10.801 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.668 -2.640 -11.713 1.00 0.00 H new ATOM 369 N SER A 28 1.453 0.408 -11.782 1.00 0.00 N ATOM 370 CA SER A 28 2.846 0.864 -11.636 1.00 0.00 C ATOM 371 C SER A 28 3.088 1.547 -10.282 1.00 0.00 C ATOM 372 O SER A 28 2.145 1.963 -9.609 1.00 0.00 O ATOM 373 CB SER A 28 3.191 1.815 -12.788 1.00 0.00 C ATOM 374 OG SER A 28 2.442 3.018 -12.690 1.00 0.00 O ATOM 0 H SER A 28 0.777 1.103 -11.465 1.00 0.00 H new ATOM 0 HA SER A 28 3.497 -0.009 -11.672 1.00 0.00 H new ATOM 0 HB2 SER A 28 4.257 2.042 -12.771 1.00 0.00 H new ATOM 0 HB3 SER A 28 2.984 1.329 -13.741 1.00 0.00 H new ATOM 0 HG SER A 28 2.678 3.612 -13.433 1.00 0.00 H new ATOM 380 N GLU A 29 4.348 1.710 -9.867 1.00 0.00 N ATOM 381 CA GLU A 29 4.675 2.417 -8.616 1.00 0.00 C ATOM 382 C GLU A 29 4.167 3.877 -8.596 1.00 0.00 C ATOM 383 O GLU A 29 3.540 4.256 -7.605 1.00 0.00 O ATOM 384 CB GLU A 29 6.192 2.345 -8.347 1.00 0.00 C ATOM 385 CG GLU A 29 6.596 1.047 -7.635 1.00 0.00 C ATOM 386 CD GLU A 29 7.903 0.440 -8.176 1.00 0.00 C ATOM 387 OE1 GLU A 29 8.013 0.219 -9.406 1.00 0.00 O ATOM 388 OE2 GLU A 29 8.802 0.105 -7.371 1.00 0.00 O ATOM 0 H GLU A 29 5.161 1.363 -10.376 1.00 0.00 H new ATOM 0 HA GLU A 29 4.147 1.908 -7.810 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.730 2.421 -9.292 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.492 3.199 -7.739 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.709 1.245 -6.569 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.793 0.317 -7.740 1.00 0.00 H new ATOM 395 N PRO A 30 4.306 4.686 -9.671 1.00 0.00 N ATOM 396 CA PRO A 30 3.673 6.005 -9.751 1.00 0.00 C ATOM 397 C PRO A 30 2.145 5.979 -9.597 1.00 0.00 C ATOM 398 O PRO A 30 1.582 6.922 -9.034 1.00 0.00 O ATOM 399 CB PRO A 30 4.076 6.577 -11.114 1.00 0.00 C ATOM 400 CG PRO A 30 5.417 5.906 -11.385 1.00 0.00 C ATOM 401 CD PRO A 30 5.203 4.510 -10.807 1.00 0.00 C ATOM 0 HA PRO A 30 4.013 6.621 -8.918 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.343 6.339 -11.884 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.167 7.663 -11.085 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.648 5.875 -12.450 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.239 6.428 -10.895 1.00 0.00 H new ATOM 0 HD2 PRO A 30 4.768 3.841 -11.550 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.148 4.067 -10.494 1.00 0.00 H new ATOM 409 N LEU A 31 1.464 4.903 -10.025 1.00 0.00 N ATOM 410 CA LEU A 31 0.028 4.743 -9.787 1.00 0.00 C ATOM 411 C LEU A 31 -0.240 4.519 -8.300 1.00 0.00 C ATOM 412 O LEU A 31 -1.040 5.239 -7.711 1.00 0.00 O ATOM 413 CB LEU A 31 -0.535 3.583 -10.623 1.00 0.00 C ATOM 414 CG LEU A 31 -2.062 3.419 -10.491 1.00 0.00 C ATOM 415 CD1 LEU A 31 -2.797 4.536 -11.218 1.00 0.00 C ATOM 416 CD2 LEU A 31 -2.458 2.084 -11.108 1.00 0.00 C ATOM 0 H LEU A 31 1.890 4.132 -10.538 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.479 5.658 -10.095 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.284 3.745 -11.671 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.050 2.656 -10.318 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.332 3.458 -9.436 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.872 4.395 -11.109 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.511 5.497 -10.791 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.534 4.516 -12.276 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.536 1.950 -11.024 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.171 2.070 -12.160 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.950 1.275 -10.583 1.00 0.00 H new ATOM 428 N LEU A 32 0.457 3.563 -7.678 1.00 0.00 N ATOM 429 CA LEU A 32 0.303 3.281 -6.247 1.00 0.00 C ATOM 430 C LEU A 32 0.667 4.472 -5.358 1.00 0.00 C ATOM 431 O LEU A 32 0.194 4.559 -4.234 1.00 0.00 O ATOM 432 CB LEU A 32 1.159 2.082 -5.822 1.00 0.00 C ATOM 433 CG LEU A 32 0.865 0.761 -6.533 1.00 0.00 C ATOM 434 CD1 LEU A 32 1.558 -0.369 -5.781 1.00 0.00 C ATOM 435 CD2 LEU A 32 -0.627 0.446 -6.563 1.00 0.00 C ATOM 0 H LEU A 32 1.139 2.967 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.755 3.059 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.207 2.334 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.030 1.931 -4.750 1.00 0.00 H new ATOM 0 HG LEU A 32 1.226 0.853 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.355 -1.316 -6.280 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.633 -0.190 -5.766 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.182 -0.410 -4.759 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.789 -0.501 -7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.004 0.374 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.156 1.240 -7.090 1.00 0.00 H new ATOM 447 N TRP A 33 1.475 5.401 -5.857 1.00 0.00 N ATOM 448 CA TRP A 33 1.734 6.674 -5.195 1.00 0.00 C ATOM 449 C TRP A 33 0.524 7.606 -5.314 1.00 0.00 C ATOM 450 O TRP A 33 -0.148 7.891 -4.324 1.00 0.00 O ATOM 451 CB TRP A 33 3.016 7.287 -5.770 1.00 0.00 C ATOM 452 CG TRP A 33 3.671 8.367 -4.969 1.00 0.00 C ATOM 453 CD1 TRP A 33 3.084 9.426 -4.364 1.00 0.00 C ATOM 454 CD2 TRP A 33 5.095 8.497 -4.699 1.00 0.00 C ATOM 455 NE1 TRP A 33 4.048 10.184 -3.722 1.00 0.00 N ATOM 456 CE2 TRP A 33 5.311 9.659 -3.904 1.00 0.00 C ATOM 457 CE3 TRP A 33 6.223 7.737 -5.065 1.00 0.00 C ATOM 458 CZ2 TRP A 33 6.592 10.048 -3.487 1.00 0.00 C ATOM 459 CZ3 TRP A 33 7.515 8.119 -4.658 1.00 0.00 C ATOM 460 CH2 TRP A 33 7.701 9.273 -3.873 1.00 0.00 C ATOM 0 H TRP A 33 1.973 5.290 -6.740 1.00 0.00 H new ATOM 0 HA TRP A 33 1.888 6.515 -4.128 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.740 6.485 -5.913 1.00 0.00 H new ATOM 0 HB3 TRP A 33 2.786 7.689 -6.757 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.027 9.646 -4.380 1.00 0.00 H new ATOM 0 HE1 TRP A 33 3.849 11.026 -3.182 1.00 0.00 H new ATOM 0 HE3 TRP A 33 6.095 6.849 -5.666 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 6.725 10.930 -2.878 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 8.368 7.524 -4.949 1.00 0.00 H new ATOM 0 HH2 TRP A 33 8.695 9.563 -3.567 1.00 0.00 H new ATOM 471 N GLU A 34 0.219 8.065 -6.529 1.00 0.00 N ATOM 472 CA GLU A 34 -0.804 9.094 -6.778 1.00 0.00 C ATOM 473 C GLU A 34 -2.234 8.661 -6.418 1.00 0.00 C ATOM 474 O GLU A 34 -3.041 9.491 -5.997 1.00 0.00 O ATOM 475 CB GLU A 34 -0.749 9.544 -8.245 1.00 0.00 C ATOM 476 CG GLU A 34 0.558 10.279 -8.552 1.00 0.00 C ATOM 477 CD GLU A 34 0.497 10.982 -9.923 1.00 0.00 C ATOM 478 OE1 GLU A 34 0.102 12.173 -9.979 1.00 0.00 O ATOM 479 OE2 GLU A 34 0.846 10.359 -10.954 1.00 0.00 O ATOM 0 H GLU A 34 0.676 7.733 -7.378 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.563 9.923 -6.112 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.843 8.676 -8.898 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.595 10.197 -8.459 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.756 11.015 -7.772 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.387 9.571 -8.540 1.00 0.00 H new ATOM 486 N LEU A 35 -2.545 7.366 -6.523 1.00 0.00 N ATOM 487 CA LEU A 35 -3.840 6.804 -6.121 1.00 0.00 C ATOM 488 C LEU A 35 -4.026 6.821 -4.591 1.00 0.00 C ATOM 489 O LEU A 35 -5.142 7.001 -4.108 1.00 0.00 O ATOM 490 CB LEU A 35 -3.952 5.365 -6.666 1.00 0.00 C ATOM 491 CG LEU A 35 -5.389 4.833 -6.752 1.00 0.00 C ATOM 492 CD1 LEU A 35 -6.119 5.361 -7.988 1.00 0.00 C ATOM 493 CD2 LEU A 35 -5.382 3.307 -6.789 1.00 0.00 C ATOM 0 H LEU A 35 -1.898 6.670 -6.893 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.632 7.424 -6.541 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -3.504 5.329 -7.659 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.369 4.701 -6.028 1.00 0.00 H new ATOM 0 HG LEU A 35 -5.918 5.184 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -7.132 4.960 -8.011 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.160 6.450 -7.949 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.586 5.050 -8.886 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.406 2.940 -6.850 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.822 2.967 -7.660 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.912 2.923 -5.883 1.00 0.00 H new ATOM 505 N PHE A 36 -2.945 6.651 -3.824 1.00 0.00 N ATOM 506 CA PHE A 36 -2.959 6.539 -2.360 1.00 0.00 C ATOM 507 C PHE A 36 -2.811 7.892 -1.645 1.00 0.00 C ATOM 508 O PHE A 36 -3.112 7.982 -0.453 1.00 0.00 O ATOM 509 CB PHE A 36 -1.892 5.526 -1.926 1.00 0.00 C ATOM 510 CG PHE A 36 -2.317 4.064 -2.023 1.00 0.00 C ATOM 511 CD1 PHE A 36 -2.506 3.302 -0.853 1.00 0.00 C ATOM 512 CD2 PHE A 36 -2.519 3.449 -3.275 1.00 0.00 C ATOM 513 CE1 PHE A 36 -2.916 1.958 -0.931 1.00 0.00 C ATOM 514 CE2 PHE A 36 -2.919 2.103 -3.359 1.00 0.00 C ATOM 515 CZ PHE A 36 -3.134 1.361 -2.185 1.00 0.00 C ATOM 0 H PHE A 36 -2.006 6.585 -4.216 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.941 6.177 -2.055 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.003 5.672 -2.539 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.608 5.739 -0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.335 3.754 0.113 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -2.365 4.018 -4.180 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -3.063 1.385 -0.027 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.061 1.640 -4.325 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.466 0.335 -2.246 1.00 0.00 H new ATOM 525 N LEU A 37 -2.467 8.967 -2.368 1.00 0.00 N ATOM 526 CA LEU A 37 -2.500 10.354 -1.870 1.00 0.00 C ATOM 527 C LEU A 37 -3.870 10.786 -1.301 1.00 0.00 C ATOM 528 O LEU A 37 -3.956 11.737 -0.524 1.00 0.00 O ATOM 529 CB LEU A 37 -2.076 11.309 -3.002 1.00 0.00 C ATOM 530 CG LEU A 37 -0.582 11.298 -3.364 1.00 0.00 C ATOM 531 CD1 LEU A 37 -0.316 12.299 -4.489 1.00 0.00 C ATOM 532 CD2 LEU A 37 0.298 11.684 -2.176 1.00 0.00 C ATOM 0 H LEU A 37 -2.151 8.898 -3.335 1.00 0.00 H new ATOM 0 HA LEU A 37 -1.801 10.403 -1.035 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.649 11.060 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.354 12.324 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.335 10.282 -3.672 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.744 12.288 -4.743 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.902 12.025 -5.366 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -0.600 13.299 -4.161 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.345 11.663 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.037 12.688 -1.841 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.140 10.977 -1.362 1.00 0.00 H new ATOM 544 N GLN A 38 -4.937 10.066 -1.658 1.00 0.00 N ATOM 545 CA GLN A 38 -6.299 10.236 -1.125 1.00 0.00 C ATOM 546 C GLN A 38 -6.395 9.904 0.373 1.00 0.00 C ATOM 547 O GLN A 38 -7.185 10.517 1.093 1.00 0.00 O ATOM 548 CB GLN A 38 -7.279 9.334 -1.894 1.00 0.00 C ATOM 549 CG GLN A 38 -7.215 9.560 -3.407 1.00 0.00 C ATOM 550 CD GLN A 38 -8.255 8.729 -4.156 1.00 0.00 C ATOM 551 OE1 GLN A 38 -9.392 9.135 -4.360 1.00 0.00 O ATOM 552 NE2 GLN A 38 -7.910 7.533 -4.580 1.00 0.00 N ATOM 0 H GLN A 38 -4.878 9.320 -2.351 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.557 11.287 -1.254 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.055 8.290 -1.675 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.294 9.523 -1.544 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.372 10.617 -3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -6.219 9.306 -3.769 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -6.965 7.186 -4.415 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.587 6.952 -5.074 1.00 0.00 H new ATOM 561 N ALA A 39 -5.591 8.944 0.847 1.00 0.00 N ATOM 562 CA ALA A 39 -5.528 8.570 2.260 1.00 0.00 C ATOM 563 C ALA A 39 -4.685 9.553 3.091 1.00 0.00 C ATOM 564 O ALA A 39 -5.103 9.983 4.168 1.00 0.00 O ATOM 565 CB ALA A 39 -4.960 7.154 2.361 1.00 0.00 C ATOM 0 H ALA A 39 -4.962 8.403 0.254 1.00 0.00 H new ATOM 0 HA ALA A 39 -6.536 8.606 2.674 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -4.906 6.858 3.409 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -5.608 6.463 1.822 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.961 7.131 1.925 1.00 0.00 H new ATOM 571 N GLY A 40 -3.511 9.923 2.574 1.00 0.00 N ATOM 572 CA GLY A 40 -2.592 10.881 3.188 1.00 0.00 C ATOM 573 C GLY A 40 -1.311 11.089 2.367 1.00 0.00 C ATOM 574 O GLY A 40 -1.198 10.560 1.260 1.00 0.00 O ATOM 0 H GLY A 40 -3.164 9.552 1.689 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.100 11.838 3.309 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.326 10.533 4.186 1.00 0.00 H new ATOM 578 N PRO A 41 -0.328 11.848 2.883 1.00 0.00 N ATOM 579 CA PRO A 41 0.925 12.133 2.186 1.00 0.00 C ATOM 580 C PRO A 41 1.775 10.866 1.999 1.00 0.00 C ATOM 581 O PRO A 41 2.280 10.281 2.962 1.00 0.00 O ATOM 582 CB PRO A 41 1.627 13.202 3.033 1.00 0.00 C ATOM 583 CG PRO A 41 1.061 12.976 4.435 1.00 0.00 C ATOM 584 CD PRO A 41 -0.373 12.530 4.163 1.00 0.00 C ATOM 0 HA PRO A 41 0.753 12.493 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 41 2.710 13.082 3.013 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.411 14.207 2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.623 12.217 4.979 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.093 13.886 5.034 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -0.734 11.867 4.949 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.050 13.383 4.130 1.00 0.00 H new ATOM 592 N VAL A 42 1.944 10.460 0.738 1.00 0.00 N ATOM 593 CA VAL A 42 2.804 9.344 0.315 1.00 0.00 C ATOM 594 C VAL A 42 4.233 9.848 0.086 1.00 0.00 C ATOM 595 O VAL A 42 4.451 10.895 -0.529 1.00 0.00 O ATOM 596 CB VAL A 42 2.251 8.635 -0.937 1.00 0.00 C ATOM 597 CG1 VAL A 42 3.170 7.493 -1.391 1.00 0.00 C ATOM 598 CG2 VAL A 42 0.858 8.040 -0.691 1.00 0.00 C ATOM 0 H VAL A 42 1.472 10.912 -0.045 1.00 0.00 H new ATOM 0 HA VAL A 42 2.817 8.601 1.113 1.00 0.00 H new ATOM 0 HB VAL A 42 2.194 9.402 -1.709 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.748 7.016 -2.276 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.156 7.892 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.260 6.758 -0.591 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.506 7.550 -1.599 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.911 7.311 0.118 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.166 8.836 -0.417 1.00 0.00 H new ATOM 608 N VAL A 43 5.200 9.088 0.593 1.00 0.00 N ATOM 609 CA VAL A 43 6.633 9.422 0.666 1.00 0.00 C ATOM 610 C VAL A 43 7.465 8.569 -0.299 1.00 0.00 C ATOM 611 O VAL A 43 8.477 9.038 -0.823 1.00 0.00 O ATOM 612 CB VAL A 43 7.142 9.209 2.112 1.00 0.00 C ATOM 613 CG1 VAL A 43 8.513 9.845 2.359 1.00 0.00 C ATOM 614 CG2 VAL A 43 6.203 9.803 3.166 1.00 0.00 C ATOM 0 H VAL A 43 5.001 8.169 0.988 1.00 0.00 H new ATOM 0 HA VAL A 43 6.748 10.466 0.376 1.00 0.00 H new ATOM 0 HB VAL A 43 7.196 8.125 2.210 1.00 0.00 H new ATOM 0 HG11 VAL A 43 8.818 9.663 3.389 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.245 9.406 1.681 1.00 0.00 H new ATOM 0 HG13 VAL A 43 8.453 10.919 2.183 1.00 0.00 H new ATOM 0 HG21 VAL A 43 6.612 9.623 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.105 10.876 3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.223 9.333 3.086 1.00 0.00 H new ATOM 624 N ASN A 44 7.062 7.310 -0.507 1.00 0.00 N ATOM 625 CA ASN A 44 7.765 6.300 -1.305 1.00 0.00 C ATOM 626 C ASN A 44 6.806 5.150 -1.721 1.00 0.00 C ATOM 627 O ASN A 44 5.738 4.973 -1.130 1.00 0.00 O ATOM 628 CB ASN A 44 8.972 5.834 -0.458 1.00 0.00 C ATOM 629 CG ASN A 44 9.728 4.642 -1.014 1.00 0.00 C ATOM 630 OD1 ASN A 44 10.102 4.605 -2.177 1.00 0.00 O ATOM 631 ND2 ASN A 44 9.970 3.636 -0.204 1.00 0.00 N ATOM 0 H ASN A 44 6.196 6.951 -0.104 1.00 0.00 H new ATOM 0 HA ASN A 44 8.127 6.704 -2.250 1.00 0.00 H new ATOM 0 HB2 ASN A 44 9.666 6.668 -0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 44 8.619 5.586 0.543 1.00 0.00 H new ATOM 0 HD21 ASN A 44 10.473 2.817 -0.545 1.00 0.00 H new ATOM 0 HD22 ASN A 44 9.655 3.674 0.765 1.00 0.00 H new ATOM 638 N THR A 45 7.195 4.347 -2.713 1.00 0.00 N ATOM 639 CA THR A 45 6.484 3.144 -3.202 1.00 0.00 C ATOM 640 C THR A 45 7.470 2.031 -3.577 1.00 0.00 C ATOM 641 O THR A 45 8.608 2.312 -3.957 1.00 0.00 O ATOM 642 CB THR A 45 5.616 3.431 -4.443 1.00 0.00 C ATOM 643 OG1 THR A 45 6.256 4.321 -5.335 1.00 0.00 O ATOM 644 CG2 THR A 45 4.253 4.011 -4.092 1.00 0.00 C ATOM 0 H THR A 45 8.058 4.519 -3.229 1.00 0.00 H new ATOM 0 HA THR A 45 5.843 2.831 -2.378 1.00 0.00 H new ATOM 0 HB THR A 45 5.474 2.461 -4.919 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.678 4.479 -6.110 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.688 4.192 -5.006 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.709 3.307 -3.463 1.00 0.00 H new ATOM 0 HG23 THR A 45 4.385 4.950 -3.555 1.00 0.00 H new ATOM 652 N HIS A 46 7.036 0.766 -3.512 1.00 0.00 N ATOM 653 CA HIS A 46 7.855 -0.396 -3.885 1.00 0.00 C ATOM 654 C HIS A 46 7.020 -1.468 -4.597 1.00 0.00 C ATOM 655 O HIS A 46 5.985 -1.872 -4.077 1.00 0.00 O ATOM 656 CB HIS A 46 8.501 -0.982 -2.615 1.00 0.00 C ATOM 657 CG HIS A 46 9.590 -1.998 -2.879 1.00 0.00 C ATOM 658 ND1 HIS A 46 10.267 -2.189 -4.088 1.00 0.00 N ATOM 659 CD2 HIS A 46 10.077 -2.882 -1.961 1.00 0.00 C ATOM 660 CE1 HIS A 46 11.150 -3.177 -3.867 1.00 0.00 C ATOM 661 NE2 HIS A 46 11.058 -3.611 -2.598 1.00 0.00 N ATOM 0 H HIS A 46 6.098 0.517 -3.196 1.00 0.00 H new ATOM 0 HA HIS A 46 8.628 -0.069 -4.581 1.00 0.00 H new ATOM 0 HB2 HIS A 46 8.918 -0.166 -2.025 1.00 0.00 H new ATOM 0 HB3 HIS A 46 7.724 -1.449 -2.010 1.00 0.00 H new ATOM 0 HD2 HIS A 46 9.756 -2.990 -0.935 1.00 0.00 H new ATOM 0 HE1 HIS A 46 11.836 -3.567 -4.604 1.00 0.00 H new ATOM 0 HE2 HIS A 46 11.618 -4.353 -2.178 1.00 0.00 H new ATOM 669 N MET A 47 7.457 -1.965 -5.753 1.00 0.00 N ATOM 670 CA MET A 47 6.873 -3.140 -6.421 1.00 0.00 C ATOM 671 C MET A 47 8.000 -4.070 -6.901 1.00 0.00 C ATOM 672 O MET A 47 8.617 -3.779 -7.931 1.00 0.00 O ATOM 673 CB MET A 47 5.970 -2.709 -7.592 1.00 0.00 C ATOM 674 CG MET A 47 4.646 -2.107 -7.106 1.00 0.00 C ATOM 675 SD MET A 47 3.606 -1.338 -8.377 1.00 0.00 S ATOM 676 CE MET A 47 3.284 -2.770 -9.419 1.00 0.00 C ATOM 0 H MET A 47 8.240 -1.559 -6.265 1.00 0.00 H new ATOM 0 HA MET A 47 6.250 -3.683 -5.711 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.497 -1.978 -8.206 1.00 0.00 H new ATOM 0 HB3 MET A 47 5.765 -3.570 -8.228 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.069 -2.894 -6.620 1.00 0.00 H new ATOM 0 HG3 MET A 47 4.868 -1.359 -6.345 1.00 0.00 H new ATOM 0 HE1 MET A 47 2.226 -2.799 -9.681 1.00 0.00 H new ATOM 0 HE2 MET A 47 3.881 -2.700 -10.328 1.00 0.00 H new ATOM 0 HE3 MET A 47 3.549 -3.679 -8.880 1.00 0.00 H new ATOM 686 N PRO A 48 8.287 -5.183 -6.197 1.00 0.00 N ATOM 687 CA PRO A 48 9.365 -6.103 -6.566 1.00 0.00 C ATOM 688 C PRO A 48 9.166 -6.751 -7.946 1.00 0.00 C ATOM 689 O PRO A 48 8.128 -7.365 -8.219 1.00 0.00 O ATOM 690 CB PRO A 48 9.426 -7.142 -5.439 1.00 0.00 C ATOM 691 CG PRO A 48 8.887 -6.373 -4.236 1.00 0.00 C ATOM 692 CD PRO A 48 7.799 -5.501 -4.860 1.00 0.00 C ATOM 0 HA PRO A 48 10.308 -5.566 -6.668 1.00 0.00 H new ATOM 0 HB2 PRO A 48 8.818 -8.018 -5.664 1.00 0.00 H new ATOM 0 HB3 PRO A 48 10.443 -7.495 -5.270 1.00 0.00 H new ATOM 0 HG2 PRO A 48 8.484 -7.041 -3.475 1.00 0.00 H new ATOM 0 HG3 PRO A 48 9.662 -5.774 -3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 48 6.847 -6.030 -4.903 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.635 -4.596 -4.275 1.00 0.00 H new ATOM 700 N LYS A 49 10.179 -6.642 -8.813 1.00 0.00 N ATOM 701 CA LYS A 49 10.143 -7.109 -10.212 1.00 0.00 C ATOM 702 C LYS A 49 10.674 -8.536 -10.382 1.00 0.00 C ATOM 703 O LYS A 49 11.567 -8.976 -9.658 1.00 0.00 O ATOM 704 CB LYS A 49 10.926 -6.153 -11.136 1.00 0.00 C ATOM 705 CG LYS A 49 10.566 -4.661 -11.038 1.00 0.00 C ATOM 706 CD LYS A 49 9.075 -4.360 -11.272 1.00 0.00 C ATOM 707 CE LYS A 49 8.780 -2.852 -11.340 1.00 0.00 C ATOM 708 NZ LYS A 49 9.234 -2.133 -10.123 1.00 0.00 N ATOM 0 H LYS A 49 11.071 -6.217 -8.559 1.00 0.00 H new ATOM 0 HA LYS A 49 9.091 -7.115 -10.498 1.00 0.00 H new ATOM 0 HB2 LYS A 49 11.989 -6.263 -10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 49 10.775 -6.474 -12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 49 10.850 -4.293 -10.052 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.157 -4.107 -11.767 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.754 -4.832 -12.201 1.00 0.00 H new ATOM 0 HD3 LYS A 49 8.488 -4.806 -10.469 1.00 0.00 H new ATOM 0 HE2 LYS A 49 9.272 -2.427 -12.215 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.709 -2.699 -11.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.652 -1.282 -9.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.138 -2.756 -9.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.230 -1.857 -10.234 1.00 0.00 H new ATOM 722 N ASP A 50 10.156 -9.232 -11.388 1.00 0.00 N ATOM 723 CA ASP A 50 10.671 -10.516 -11.870 1.00 0.00 C ATOM 724 C ASP A 50 12.058 -10.353 -12.528 1.00 0.00 C ATOM 725 O ASP A 50 12.278 -9.422 -13.305 1.00 0.00 O ATOM 726 CB ASP A 50 9.663 -11.093 -12.870 1.00 0.00 C ATOM 727 CG ASP A 50 10.164 -12.421 -13.444 1.00 0.00 C ATOM 728 OD1 ASP A 50 9.937 -13.484 -12.821 1.00 0.00 O ATOM 729 OD2 ASP A 50 10.833 -12.371 -14.502 1.00 0.00 O ATOM 0 H ASP A 50 9.340 -8.911 -11.909 1.00 0.00 H new ATOM 0 HA ASP A 50 10.795 -11.196 -11.028 1.00 0.00 H new ATOM 0 HB2 ASP A 50 8.702 -11.244 -12.378 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.499 -10.381 -13.679 1.00 0.00 H new ATOM 734 N ARG A 51 12.996 -11.273 -12.259 1.00 0.00 N ATOM 735 CA ARG A 51 14.406 -11.165 -12.691 1.00 0.00 C ATOM 736 C ARG A 51 14.702 -11.572 -14.147 1.00 0.00 C ATOM 737 O ARG A 51 15.873 -11.627 -14.529 1.00 0.00 O ATOM 738 CB ARG A 51 15.323 -11.863 -11.665 1.00 0.00 C ATOM 739 CG ARG A 51 15.207 -13.398 -11.658 1.00 0.00 C ATOM 740 CD ARG A 51 16.130 -14.001 -10.593 1.00 0.00 C ATOM 741 NE ARG A 51 16.055 -15.475 -10.587 1.00 0.00 N ATOM 742 CZ ARG A 51 16.754 -16.295 -9.820 1.00 0.00 C ATOM 743 NH1 ARG A 51 17.617 -15.861 -8.944 1.00 0.00 N ATOM 744 NH2 ARG A 51 16.597 -17.585 -9.919 1.00 0.00 N ATOM 0 H ARG A 51 12.800 -12.123 -11.730 1.00 0.00 H new ATOM 0 HA ARG A 51 14.632 -10.099 -12.707 1.00 0.00 H new ATOM 0 HB2 ARG A 51 16.357 -11.589 -11.873 1.00 0.00 H new ATOM 0 HB3 ARG A 51 15.088 -11.487 -10.669 1.00 0.00 H new ATOM 0 HG2 ARG A 51 14.175 -13.690 -11.461 1.00 0.00 H new ATOM 0 HG3 ARG A 51 15.468 -13.793 -12.640 1.00 0.00 H new ATOM 0 HD2 ARG A 51 17.157 -13.688 -10.780 1.00 0.00 H new ATOM 0 HD3 ARG A 51 15.854 -13.617 -9.611 1.00 0.00 H new ATOM 0 HE ARG A 51 15.399 -15.904 -11.239 1.00 0.00 H new ATOM 0 HH11 ARG A 51 17.771 -14.859 -8.833 1.00 0.00 H new ATOM 0 HH12 ARG A 51 18.138 -16.524 -8.370 1.00 0.00 H new ATOM 0 HH21 ARG A 51 15.932 -17.968 -10.591 1.00 0.00 H new ATOM 0 HH22 ARG A 51 17.139 -18.212 -9.325 1.00 0.00 H new ATOM 758 N VAL A 52 13.679 -11.863 -14.958 1.00 0.00 N ATOM 759 CA VAL A 52 13.809 -12.361 -16.346 1.00 0.00 C ATOM 760 C VAL A 52 12.923 -11.565 -17.312 1.00 0.00 C ATOM 761 O VAL A 52 13.335 -11.271 -18.435 1.00 0.00 O ATOM 762 CB VAL A 52 13.460 -13.868 -16.426 1.00 0.00 C ATOM 763 CG1 VAL A 52 13.733 -14.442 -17.824 1.00 0.00 C ATOM 764 CG2 VAL A 52 14.268 -14.708 -15.425 1.00 0.00 C ATOM 0 H VAL A 52 12.707 -11.758 -14.666 1.00 0.00 H new ATOM 0 HA VAL A 52 14.848 -12.224 -16.645 1.00 0.00 H new ATOM 0 HB VAL A 52 12.398 -13.928 -16.189 1.00 0.00 H new ATOM 0 HG11 VAL A 52 13.476 -15.501 -17.839 1.00 0.00 H new ATOM 0 HG12 VAL A 52 13.129 -13.911 -18.560 1.00 0.00 H new ATOM 0 HG13 VAL A 52 14.789 -14.322 -18.067 1.00 0.00 H new ATOM 0 HG21 VAL A 52 13.987 -15.757 -15.520 1.00 0.00 H new ATOM 0 HG22 VAL A 52 15.332 -14.597 -15.632 1.00 0.00 H new ATOM 0 HG23 VAL A 52 14.058 -14.367 -14.411 1.00 0.00 H new ATOM 774 N THR A 53 11.727 -11.173 -16.865 1.00 0.00 N ATOM 775 CA THR A 53 10.719 -10.431 -17.642 1.00 0.00 C ATOM 776 C THR A 53 10.591 -8.975 -17.194 1.00 0.00 C ATOM 777 O THR A 53 10.065 -8.143 -17.937 1.00 0.00 O ATOM 778 CB THR A 53 9.343 -11.115 -17.577 1.00 0.00 C ATOM 779 OG1 THR A 53 8.907 -11.247 -16.244 1.00 0.00 O ATOM 780 CG2 THR A 53 9.351 -12.509 -18.204 1.00 0.00 C ATOM 0 H THR A 53 11.418 -11.370 -15.913 1.00 0.00 H new ATOM 0 HA THR A 53 11.071 -10.436 -18.674 1.00 0.00 H new ATOM 0 HB THR A 53 8.667 -10.473 -18.142 1.00 0.00 H new ATOM 0 HG1 THR A 53 9.562 -11.770 -15.736 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.355 -12.946 -18.131 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.639 -12.435 -19.253 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.065 -13.141 -17.676 1.00 0.00 H new ATOM 788 N GLY A 54 11.090 -8.646 -15.997 1.00 0.00 N ATOM 789 CA GLY A 54 11.220 -7.281 -15.490 1.00 0.00 C ATOM 790 C GLY A 54 9.907 -6.589 -15.086 1.00 0.00 C ATOM 791 O GLY A 54 9.914 -5.397 -14.774 1.00 0.00 O ATOM 0 H GLY A 54 11.424 -9.347 -15.336 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.882 -7.297 -14.624 1.00 0.00 H new ATOM 0 HA3 GLY A 54 11.708 -6.675 -16.253 1.00 0.00 H new ATOM 795 N GLN A 55 8.788 -7.320 -15.081 1.00 0.00 N ATOM 796 CA GLN A 55 7.459 -6.848 -14.663 1.00 0.00 C ATOM 797 C GLN A 55 7.178 -7.189 -13.190 1.00 0.00 C ATOM 798 O GLN A 55 7.874 -8.013 -12.592 1.00 0.00 O ATOM 799 CB GLN A 55 6.379 -7.380 -15.626 1.00 0.00 C ATOM 800 CG GLN A 55 6.399 -8.905 -15.828 1.00 0.00 C ATOM 801 CD GLN A 55 5.217 -9.386 -16.667 1.00 0.00 C ATOM 802 OE1 GLN A 55 4.228 -9.907 -16.166 1.00 0.00 O ATOM 803 NE2 GLN A 55 5.259 -9.219 -17.974 1.00 0.00 N ATOM 0 H GLN A 55 8.780 -8.295 -15.379 1.00 0.00 H new ATOM 0 HA GLN A 55 7.434 -5.760 -14.723 1.00 0.00 H new ATOM 0 HB2 GLN A 55 5.399 -7.089 -15.249 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.504 -6.896 -16.595 1.00 0.00 H new ATOM 0 HG2 GLN A 55 7.331 -9.194 -16.315 1.00 0.00 H new ATOM 0 HG3 GLN A 55 6.380 -9.400 -14.857 1.00 0.00 H new ATOM 0 HE21 GLN A 55 6.075 -8.787 -18.407 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.475 -9.522 -18.552 1.00 0.00 H new ATOM 812 N HIS A 56 6.178 -6.546 -12.577 1.00 0.00 N ATOM 813 CA HIS A 56 5.823 -6.791 -11.170 1.00 0.00 C ATOM 814 C HIS A 56 5.216 -8.186 -10.945 1.00 0.00 C ATOM 815 O HIS A 56 4.692 -8.820 -11.865 1.00 0.00 O ATOM 816 CB HIS A 56 4.933 -5.662 -10.627 1.00 0.00 C ATOM 817 CG HIS A 56 3.480 -5.730 -11.037 1.00 0.00 C ATOM 818 ND1 HIS A 56 2.535 -6.601 -10.489 1.00 0.00 N ATOM 819 CD2 HIS A 56 2.853 -4.901 -11.923 1.00 0.00 C ATOM 820 CE1 HIS A 56 1.365 -6.291 -11.071 1.00 0.00 C ATOM 821 NE2 HIS A 56 1.525 -5.267 -11.923 1.00 0.00 N ATOM 0 H HIS A 56 5.595 -5.846 -13.036 1.00 0.00 H new ATOM 0 HA HIS A 56 6.748 -6.784 -10.594 1.00 0.00 H new ATOM 0 HB2 HIS A 56 4.987 -5.671 -9.538 1.00 0.00 H new ATOM 0 HB3 HIS A 56 5.343 -4.708 -10.958 1.00 0.00 H new ATOM 0 HD2 HIS A 56 3.308 -4.115 -12.507 1.00 0.00 H new ATOM 0 HE1 HIS A 56 0.429 -6.794 -10.880 1.00 0.00 H new ATOM 0 HE2 HIS A 56 0.787 -4.833 -12.478 1.00 0.00 H new ATOM 829 N GLN A 57 5.296 -8.668 -9.703 1.00 0.00 N ATOM 830 CA GLN A 57 4.954 -10.045 -9.313 1.00 0.00 C ATOM 831 C GLN A 57 3.544 -10.177 -8.691 1.00 0.00 C ATOM 832 O GLN A 57 3.272 -11.112 -7.935 1.00 0.00 O ATOM 833 CB GLN A 57 6.089 -10.600 -8.434 1.00 0.00 C ATOM 834 CG GLN A 57 7.403 -10.744 -9.225 1.00 0.00 C ATOM 835 CD GLN A 57 8.575 -11.083 -8.312 1.00 0.00 C ATOM 836 OE1 GLN A 57 9.046 -12.210 -8.234 1.00 0.00 O ATOM 837 NE2 GLN A 57 9.083 -10.114 -7.584 1.00 0.00 N ATOM 0 H GLN A 57 5.609 -8.099 -8.916 1.00 0.00 H new ATOM 0 HA GLN A 57 4.880 -10.664 -10.207 1.00 0.00 H new ATOM 0 HB2 GLN A 57 6.247 -9.938 -7.583 1.00 0.00 H new ATOM 0 HB3 GLN A 57 5.797 -11.571 -8.033 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.291 -11.524 -9.978 1.00 0.00 H new ATOM 0 HG3 GLN A 57 7.612 -9.815 -9.756 1.00 0.00 H new ATOM 0 HE21 GLN A 57 8.694 -9.173 -7.645 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.866 -10.303 -6.958 1.00 0.00 H new ATOM 846 N GLY A 58 2.636 -9.243 -9.000 1.00 0.00 N ATOM 847 CA GLY A 58 1.243 -9.227 -8.530 1.00 0.00 C ATOM 848 C GLY A 58 1.011 -8.508 -7.194 1.00 0.00 C ATOM 849 O GLY A 58 -0.119 -8.495 -6.703 1.00 0.00 O ATOM 0 H GLY A 58 2.857 -8.451 -9.604 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.625 -8.752 -9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.897 -10.256 -8.435 1.00 0.00 H new ATOM 853 N TYR A 59 2.044 -7.899 -6.605 1.00 0.00 N ATOM 854 CA TYR A 59 1.964 -7.164 -5.337 1.00 0.00 C ATOM 855 C TYR A 59 2.909 -5.950 -5.285 1.00 0.00 C ATOM 856 O TYR A 59 3.870 -5.845 -6.053 1.00 0.00 O ATOM 857 CB TYR A 59 2.225 -8.117 -4.161 1.00 0.00 C ATOM 858 CG TYR A 59 3.648 -8.635 -4.060 1.00 0.00 C ATOM 859 CD1 TYR A 59 4.582 -7.981 -3.231 1.00 0.00 C ATOM 860 CD2 TYR A 59 4.037 -9.773 -4.796 1.00 0.00 C ATOM 861 CE1 TYR A 59 5.900 -8.467 -3.138 1.00 0.00 C ATOM 862 CE2 TYR A 59 5.359 -10.250 -4.717 1.00 0.00 C ATOM 863 CZ TYR A 59 6.297 -9.595 -3.887 1.00 0.00 C ATOM 864 OH TYR A 59 7.577 -10.050 -3.797 1.00 0.00 O ATOM 0 H TYR A 59 2.982 -7.903 -7.005 1.00 0.00 H new ATOM 0 HA TYR A 59 0.953 -6.763 -5.259 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.975 -7.602 -3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.549 -8.968 -4.246 1.00 0.00 H new ATOM 0 HD1 TYR A 59 4.287 -7.108 -2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.318 -10.280 -5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 59 6.610 -7.974 -2.491 1.00 0.00 H new ATOM 0 HE2 TYR A 59 5.656 -11.116 -5.290 1.00 0.00 H new ATOM 0 HH TYR A 59 7.687 -10.834 -4.374 1.00 0.00 H new ATOM 874 N GLY A 60 2.622 -5.031 -4.363 1.00 0.00 N ATOM 875 CA GLY A 60 3.363 -3.796 -4.123 1.00 0.00 C ATOM 876 C GLY A 60 3.217 -3.276 -2.690 1.00 0.00 C ATOM 877 O GLY A 60 2.582 -3.902 -1.840 1.00 0.00 O ATOM 0 H GLY A 60 1.827 -5.134 -3.733 1.00 0.00 H new ATOM 0 HA2 GLY A 60 4.419 -3.966 -4.336 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.017 -3.031 -4.818 1.00 0.00 H new ATOM 881 N PHE A 61 3.798 -2.107 -2.436 1.00 0.00 N ATOM 882 CA PHE A 61 3.786 -1.399 -1.157 1.00 0.00 C ATOM 883 C PHE A 61 3.720 0.121 -1.357 1.00 0.00 C ATOM 884 O PHE A 61 4.237 0.651 -2.347 1.00 0.00 O ATOM 885 CB PHE A 61 5.049 -1.718 -0.340 1.00 0.00 C ATOM 886 CG PHE A 61 5.332 -3.178 -0.041 1.00 0.00 C ATOM 887 CD1 PHE A 61 6.060 -3.960 -0.959 1.00 0.00 C ATOM 888 CD2 PHE A 61 4.927 -3.737 1.186 1.00 0.00 C ATOM 889 CE1 PHE A 61 6.378 -5.296 -0.653 1.00 0.00 C ATOM 890 CE2 PHE A 61 5.256 -5.070 1.497 1.00 0.00 C ATOM 891 CZ PHE A 61 5.977 -5.849 0.575 1.00 0.00 C ATOM 0 H PHE A 61 4.317 -1.601 -3.153 1.00 0.00 H new ATOM 0 HA PHE A 61 2.898 -1.736 -0.622 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.908 -1.310 -0.873 1.00 0.00 H new ATOM 0 HB3 PHE A 61 4.981 -1.186 0.609 1.00 0.00 H new ATOM 0 HD1 PHE A 61 6.375 -3.533 -1.900 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.363 -3.142 1.890 1.00 0.00 H new ATOM 0 HE1 PHE A 61 6.930 -5.896 -1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.955 -5.494 2.443 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.223 -6.874 0.811 1.00 0.00 H new ATOM 901 N VAL A 62 3.151 0.826 -0.375 1.00 0.00 N ATOM 902 CA VAL A 62 3.073 2.298 -0.330 1.00 0.00 C ATOM 903 C VAL A 62 3.501 2.795 1.049 1.00 0.00 C ATOM 904 O VAL A 62 3.043 2.278 2.065 1.00 0.00 O ATOM 905 CB VAL A 62 1.659 2.812 -0.676 1.00 0.00 C ATOM 906 CG1 VAL A 62 1.666 4.331 -0.869 1.00 0.00 C ATOM 907 CG2 VAL A 62 1.104 2.163 -1.947 1.00 0.00 C ATOM 0 H VAL A 62 2.719 0.381 0.435 1.00 0.00 H new ATOM 0 HA VAL A 62 3.752 2.694 -1.085 1.00 0.00 H new ATOM 0 HB VAL A 62 1.019 2.542 0.164 1.00 0.00 H new ATOM 0 HG11 VAL A 62 0.659 4.672 -1.112 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.000 4.813 0.050 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.343 4.591 -1.682 1.00 0.00 H new ATOM 0 HG21 VAL A 62 0.108 2.555 -2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.761 2.388 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.048 1.083 -1.809 1.00 0.00 H new ATOM 917 N GLU A 63 4.386 3.786 1.102 1.00 0.00 N ATOM 918 CA GLU A 63 4.942 4.346 2.336 1.00 0.00 C ATOM 919 C GLU A 63 4.369 5.740 2.603 1.00 0.00 C ATOM 920 O GLU A 63 4.546 6.658 1.800 1.00 0.00 O ATOM 921 CB GLU A 63 6.469 4.378 2.214 1.00 0.00 C ATOM 922 CG GLU A 63 7.183 4.749 3.520 1.00 0.00 C ATOM 923 CD GLU A 63 8.720 4.768 3.361 1.00 0.00 C ATOM 924 OE1 GLU A 63 9.381 5.562 4.074 1.00 0.00 O ATOM 925 OE2 GLU A 63 9.276 4.003 2.535 1.00 0.00 O ATOM 0 H GLU A 63 4.749 4.238 0.263 1.00 0.00 H new ATOM 0 HA GLU A 63 4.666 3.722 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.819 3.400 1.884 1.00 0.00 H new ATOM 0 HB3 GLU A 63 6.748 5.094 1.441 1.00 0.00 H new ATOM 0 HG2 GLU A 63 6.842 5.729 3.853 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.909 4.036 4.297 1.00 0.00 H new ATOM 932 N PHE A 64 3.703 5.909 3.741 1.00 0.00 N ATOM 933 CA PHE A 64 3.130 7.173 4.197 1.00 0.00 C ATOM 934 C PHE A 64 4.049 7.912 5.173 1.00 0.00 C ATOM 935 O PHE A 64 4.961 7.332 5.768 1.00 0.00 O ATOM 936 CB PHE A 64 1.760 6.906 4.825 1.00 0.00 C ATOM 937 CG PHE A 64 0.705 6.553 3.803 1.00 0.00 C ATOM 938 CD1 PHE A 64 -0.005 7.587 3.167 1.00 0.00 C ATOM 939 CD2 PHE A 64 0.456 5.210 3.459 1.00 0.00 C ATOM 940 CE1 PHE A 64 -0.987 7.279 2.214 1.00 0.00 C ATOM 941 CE2 PHE A 64 -0.526 4.904 2.500 1.00 0.00 C ATOM 942 CZ PHE A 64 -1.253 5.942 1.889 1.00 0.00 C ATOM 0 H PHE A 64 3.541 5.143 4.395 1.00 0.00 H new ATOM 0 HA PHE A 64 3.015 7.827 3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.848 6.092 5.545 1.00 0.00 H new ATOM 0 HB3 PHE A 64 1.441 7.789 5.379 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.206 8.617 3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 64 1.018 4.417 3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.538 8.072 1.731 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.721 3.876 2.233 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.020 5.707 1.166 1.00 0.00 H new ATOM 952 N LEU A 65 3.783 9.208 5.363 1.00 0.00 N ATOM 953 CA LEU A 65 4.514 10.043 6.319 1.00 0.00 C ATOM 954 C LEU A 65 4.312 9.577 7.773 1.00 0.00 C ATOM 955 O LEU A 65 5.250 9.629 8.573 1.00 0.00 O ATOM 956 CB LEU A 65 4.054 11.497 6.130 1.00 0.00 C ATOM 957 CG LEU A 65 4.982 12.523 6.798 1.00 0.00 C ATOM 958 CD1 LEU A 65 6.271 12.721 5.997 1.00 0.00 C ATOM 959 CD2 LEU A 65 4.277 13.877 6.894 1.00 0.00 C ATOM 0 H LEU A 65 3.053 9.708 4.856 1.00 0.00 H new ATOM 0 HA LEU A 65 5.583 9.958 6.125 1.00 0.00 H new ATOM 0 HB2 LEU A 65 3.992 11.715 5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 65 3.049 11.608 6.537 1.00 0.00 H new ATOM 0 HG LEU A 65 5.228 12.140 7.788 1.00 0.00 H new ATOM 0 HD11 LEU A 65 6.903 13.453 6.500 1.00 0.00 H new ATOM 0 HD12 LEU A 65 6.803 11.772 5.923 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.027 13.078 4.997 1.00 0.00 H new ATOM 0 HD21 LEU A 65 4.941 14.600 7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.018 14.224 5.894 1.00 0.00 H new ATOM 0 HD23 LEU A 65 3.369 13.773 7.488 1.00 0.00 H new ATOM 971 N SER A 66 3.109 9.087 8.093 1.00 0.00 N ATOM 972 CA SER A 66 2.712 8.664 9.441 1.00 0.00 C ATOM 973 C SER A 66 1.869 7.394 9.420 1.00 0.00 C ATOM 974 O SER A 66 1.152 7.093 8.466 1.00 0.00 O ATOM 975 CB SER A 66 1.945 9.787 10.162 1.00 0.00 C ATOM 976 OG SER A 66 2.680 11.004 10.181 1.00 0.00 O ATOM 0 H SER A 66 2.366 8.971 7.404 1.00 0.00 H new ATOM 0 HA SER A 66 3.630 8.447 9.987 1.00 0.00 H new ATOM 0 HB2 SER A 66 0.988 9.949 9.666 1.00 0.00 H new ATOM 0 HB3 SER A 66 1.727 9.479 11.184 1.00 0.00 H new ATOM 0 HG SER A 66 2.160 11.693 10.645 1.00 0.00 H new ATOM 982 N GLU A 67 1.930 6.666 10.529 1.00 0.00 N ATOM 983 CA GLU A 67 1.187 5.426 10.774 1.00 0.00 C ATOM 984 C GLU A 67 -0.338 5.614 10.670 1.00 0.00 C ATOM 985 O GLU A 67 -1.053 4.724 10.214 1.00 0.00 O ATOM 986 CB GLU A 67 1.550 4.961 12.187 1.00 0.00 C ATOM 987 CG GLU A 67 3.021 4.549 12.340 1.00 0.00 C ATOM 988 CD GLU A 67 3.348 4.207 13.808 1.00 0.00 C ATOM 989 OE1 GLU A 67 4.122 4.961 14.447 1.00 0.00 O ATOM 990 OE2 GLU A 67 2.835 3.192 14.334 1.00 0.00 O ATOM 0 H GLU A 67 2.521 6.931 11.317 1.00 0.00 H new ATOM 0 HA GLU A 67 1.459 4.693 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.331 5.763 12.892 1.00 0.00 H new ATOM 0 HB3 GLU A 67 0.915 4.117 12.457 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.229 3.687 11.707 1.00 0.00 H new ATOM 0 HG3 GLU A 67 3.667 5.358 11.999 1.00 0.00 H new ATOM 997 N GLU A 68 -0.836 6.796 11.039 1.00 0.00 N ATOM 998 CA GLU A 68 -2.258 7.162 10.971 1.00 0.00 C ATOM 999 C GLU A 68 -2.765 7.282 9.523 1.00 0.00 C ATOM 1000 O GLU A 68 -3.903 6.923 9.221 1.00 0.00 O ATOM 1001 CB GLU A 68 -2.463 8.508 11.691 1.00 0.00 C ATOM 1002 CG GLU A 68 -2.066 8.513 13.175 1.00 0.00 C ATOM 1003 CD GLU A 68 -3.065 7.722 14.043 1.00 0.00 C ATOM 1004 OE1 GLU A 68 -4.093 8.303 14.472 1.00 0.00 O ATOM 1005 OE2 GLU A 68 -2.827 6.520 14.312 1.00 0.00 O ATOM 0 H GLU A 68 -0.249 7.546 11.403 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.828 6.368 11.453 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -1.885 9.273 11.172 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -3.512 8.791 11.609 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -1.070 8.083 13.285 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -2.011 9.541 13.532 1.00 0.00 H new ATOM 1012 N ASP A 69 -1.906 7.745 8.611 1.00 0.00 N ATOM 1013 CA ASP A 69 -2.205 7.852 7.180 1.00 0.00 C ATOM 1014 C ASP A 69 -2.158 6.475 6.493 1.00 0.00 C ATOM 1015 O ASP A 69 -2.943 6.209 5.579 1.00 0.00 O ATOM 1016 CB ASP A 69 -1.214 8.837 6.544 1.00 0.00 C ATOM 1017 CG ASP A 69 -1.406 10.269 7.068 1.00 0.00 C ATOM 1018 OD1 ASP A 69 -2.514 10.834 6.915 1.00 0.00 O ATOM 1019 OD2 ASP A 69 -0.434 10.840 7.615 1.00 0.00 O ATOM 0 H ASP A 69 -0.966 8.062 8.850 1.00 0.00 H new ATOM 0 HA ASP A 69 -3.220 8.228 7.047 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.195 8.509 6.750 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.339 8.828 5.461 1.00 0.00 H new ATOM 1024 N ALA A 70 -1.308 5.566 6.987 1.00 0.00 N ATOM 1025 CA ALA A 70 -1.253 4.180 6.536 1.00 0.00 C ATOM 1026 C ALA A 70 -2.495 3.397 6.995 1.00 0.00 C ATOM 1027 O ALA A 70 -3.151 2.749 6.181 1.00 0.00 O ATOM 1028 CB ALA A 70 0.057 3.559 7.040 1.00 0.00 C ATOM 0 H ALA A 70 -0.633 5.781 7.721 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.263 4.137 5.447 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.117 2.521 6.713 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.903 4.116 6.637 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.083 3.598 8.129 1.00 0.00 H new ATOM 1034 N ASP A 71 -2.887 3.522 8.267 1.00 0.00 N ATOM 1035 CA ASP A 71 -4.115 2.923 8.812 1.00 0.00 C ATOM 1036 C ASP A 71 -5.378 3.360 8.043 1.00 0.00 C ATOM 1037 O ASP A 71 -6.271 2.546 7.797 1.00 0.00 O ATOM 1038 CB ASP A 71 -4.223 3.289 10.298 1.00 0.00 C ATOM 1039 CG ASP A 71 -5.442 2.629 10.962 1.00 0.00 C ATOM 1040 OD1 ASP A 71 -5.398 1.403 11.223 1.00 0.00 O ATOM 1041 OD2 ASP A 71 -6.438 3.338 11.245 1.00 0.00 O ATOM 0 H ASP A 71 -2.354 4.049 8.959 1.00 0.00 H new ATOM 0 HA ASP A 71 -4.051 1.841 8.696 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -3.315 2.979 10.815 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -4.295 4.372 10.401 1.00 0.00 H new ATOM 1046 N TYR A 72 -5.422 4.614 7.582 1.00 0.00 N ATOM 1047 CA TYR A 72 -6.520 5.126 6.760 1.00 0.00 C ATOM 1048 C TYR A 72 -6.503 4.539 5.340 1.00 0.00 C ATOM 1049 O TYR A 72 -7.557 4.192 4.811 1.00 0.00 O ATOM 1050 CB TYR A 72 -6.484 6.659 6.737 1.00 0.00 C ATOM 1051 CG TYR A 72 -7.774 7.287 6.237 1.00 0.00 C ATOM 1052 CD1 TYR A 72 -8.744 7.733 7.157 1.00 0.00 C ATOM 1053 CD2 TYR A 72 -8.016 7.410 4.855 1.00 0.00 C ATOM 1054 CE1 TYR A 72 -9.944 8.310 6.697 1.00 0.00 C ATOM 1055 CE2 TYR A 72 -9.210 7.993 4.389 1.00 0.00 C ATOM 1056 CZ TYR A 72 -10.179 8.445 5.312 1.00 0.00 C ATOM 1057 OH TYR A 72 -11.340 9.008 4.877 1.00 0.00 O ATOM 0 H TYR A 72 -4.694 5.304 7.770 1.00 0.00 H new ATOM 0 HA TYR A 72 -7.459 4.805 7.212 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -6.277 7.025 7.743 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.660 6.986 6.103 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.567 7.632 8.218 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -7.281 7.055 4.148 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -10.685 8.650 7.405 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -9.385 8.094 3.328 1.00 0.00 H new ATOM 0 HH TYR A 72 -11.347 9.028 3.897 1.00 0.00 H new ATOM 1067 N ALA A 73 -5.333 4.345 4.725 1.00 0.00 N ATOM 1068 CA ALA A 73 -5.233 3.722 3.404 1.00 0.00 C ATOM 1069 C ALA A 73 -5.681 2.252 3.433 1.00 0.00 C ATOM 1070 O ALA A 73 -6.373 1.802 2.521 1.00 0.00 O ATOM 1071 CB ALA A 73 -3.798 3.879 2.899 1.00 0.00 C ATOM 0 H ALA A 73 -4.435 4.614 5.126 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.910 4.223 2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -3.706 3.420 1.915 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.551 4.938 2.830 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.113 3.391 3.592 1.00 0.00 H new ATOM 1077 N ILE A 74 -5.383 1.529 4.518 1.00 0.00 N ATOM 1078 CA ILE A 74 -5.877 0.162 4.758 1.00 0.00 C ATOM 1079 C ILE A 74 -7.411 0.150 4.899 1.00 0.00 C ATOM 1080 O ILE A 74 -8.065 -0.782 4.429 1.00 0.00 O ATOM 1081 CB ILE A 74 -5.174 -0.451 5.995 1.00 0.00 C ATOM 1082 CG1 ILE A 74 -3.642 -0.485 5.798 1.00 0.00 C ATOM 1083 CG2 ILE A 74 -5.684 -1.880 6.256 1.00 0.00 C ATOM 1084 CD1 ILE A 74 -2.850 -0.670 7.093 1.00 0.00 C ATOM 0 H ILE A 74 -4.784 1.878 5.266 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.632 -0.459 3.897 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.408 0.178 6.854 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.392 -1.295 5.113 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.327 0.443 5.322 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.178 -2.293 7.129 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.759 -1.855 6.437 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.477 -2.505 5.387 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.783 -0.683 6.868 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.067 0.153 7.773 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.134 -1.612 7.562 1.00 0.00 H new ATOM 1096 N LYS A 75 -8.004 1.208 5.472 1.00 0.00 N ATOM 1097 CA LYS A 75 -9.461 1.365 5.598 1.00 0.00 C ATOM 1098 C LYS A 75 -10.152 1.576 4.242 1.00 0.00 C ATOM 1099 O LYS A 75 -11.191 0.957 4.006 1.00 0.00 O ATOM 1100 CB LYS A 75 -9.767 2.490 6.607 1.00 0.00 C ATOM 1101 CG LYS A 75 -11.270 2.697 6.834 1.00 0.00 C ATOM 1102 CD LYS A 75 -11.522 3.730 7.940 1.00 0.00 C ATOM 1103 CE LYS A 75 -13.028 3.934 8.139 1.00 0.00 C ATOM 1104 NZ LYS A 75 -13.311 4.928 9.208 1.00 0.00 N ATOM 0 H LYS A 75 -7.479 1.989 5.866 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.880 0.435 5.982 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -9.290 2.257 7.559 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.327 3.421 6.250 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.739 3.029 5.908 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.735 1.749 7.104 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.067 3.395 8.872 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.051 4.677 7.678 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -13.477 4.268 7.203 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -13.494 2.982 8.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.339 5.040 9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.904 4.597 10.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.888 5.843 8.952 1.00 0.00 H new ATOM 1118 N ILE A 76 -9.596 2.403 3.346 1.00 0.00 N ATOM 1119 CA ILE A 76 -10.246 2.743 2.068 1.00 0.00 C ATOM 1120 C ILE A 76 -9.878 1.826 0.890 1.00 0.00 C ATOM 1121 O ILE A 76 -10.754 1.528 0.081 1.00 0.00 O ATOM 1122 CB ILE A 76 -10.054 4.228 1.697 1.00 0.00 C ATOM 1123 CG1 ILE A 76 -8.582 4.669 1.585 1.00 0.00 C ATOM 1124 CG2 ILE A 76 -10.789 5.118 2.715 1.00 0.00 C ATOM 1125 CD1 ILE A 76 -8.418 5.937 0.748 1.00 0.00 C ATOM 0 H ILE A 76 -8.691 2.853 3.482 1.00 0.00 H new ATOM 0 HA ILE A 76 -11.306 2.565 2.251 1.00 0.00 H new ATOM 0 HB ILE A 76 -10.479 4.346 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.180 4.841 2.583 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.997 3.864 1.140 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -10.651 6.166 2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -11.852 4.879 2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -10.385 4.940 3.712 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -7.363 6.207 0.699 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.794 5.759 -0.259 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -8.980 6.751 1.207 1.00 0.00 H new ATOM 1137 N MET A 77 -8.626 1.365 0.772 1.00 0.00 N ATOM 1138 CA MET A 77 -8.124 0.662 -0.429 1.00 0.00 C ATOM 1139 C MET A 77 -8.265 -0.864 -0.384 1.00 0.00 C ATOM 1140 O MET A 77 -7.912 -1.556 -1.337 1.00 0.00 O ATOM 1141 CB MET A 77 -6.692 1.100 -0.760 1.00 0.00 C ATOM 1142 CG MET A 77 -6.605 2.547 -1.248 1.00 0.00 C ATOM 1143 SD MET A 77 -7.094 2.771 -2.977 1.00 0.00 S ATOM 1144 CE MET A 77 -6.516 4.468 -3.201 1.00 0.00 C ATOM 0 H MET A 77 -7.926 1.467 1.506 1.00 0.00 H new ATOM 0 HA MET A 77 -8.779 0.968 -1.245 1.00 0.00 H new ATOM 0 HB2 MET A 77 -6.069 0.984 0.127 1.00 0.00 H new ATOM 0 HB3 MET A 77 -6.284 0.440 -1.525 1.00 0.00 H new ATOM 0 HG2 MET A 77 -7.239 3.171 -0.618 1.00 0.00 H new ATOM 0 HG3 MET A 77 -5.582 2.902 -1.121 1.00 0.00 H new ATOM 0 HE1 MET A 77 -7.165 4.983 -3.910 1.00 0.00 H new ATOM 0 HE2 MET A 77 -6.538 4.989 -2.244 1.00 0.00 H new ATOM 0 HE3 MET A 77 -5.496 4.457 -3.585 1.00 0.00 H new ATOM 1154 N ASP A 78 -8.813 -1.401 0.700 1.00 0.00 N ATOM 1155 CA ASP A 78 -9.042 -2.840 0.858 1.00 0.00 C ATOM 1156 C ASP A 78 -10.370 -3.284 0.219 1.00 0.00 C ATOM 1157 O ASP A 78 -11.376 -2.573 0.306 1.00 0.00 O ATOM 1158 CB ASP A 78 -8.935 -3.243 2.337 1.00 0.00 C ATOM 1159 CG ASP A 78 -8.913 -4.766 2.497 1.00 0.00 C ATOM 1160 OD1 ASP A 78 -8.160 -5.425 1.749 1.00 0.00 O ATOM 1161 OD2 ASP A 78 -9.646 -5.328 3.342 1.00 0.00 O ATOM 0 H ASP A 78 -9.115 -0.849 1.503 1.00 0.00 H new ATOM 0 HA ASP A 78 -8.258 -3.370 0.317 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -8.029 -2.817 2.768 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -9.777 -2.829 2.891 1.00 0.00 H new ATOM 1166 N MET A 79 -10.374 -4.447 -0.446 1.00 0.00 N ATOM 1167 CA MET A 79 -11.473 -4.953 -1.294 1.00 0.00 C ATOM 1168 C MET A 79 -11.877 -4.036 -2.476 1.00 0.00 C ATOM 1169 O MET A 79 -12.876 -4.291 -3.153 1.00 0.00 O ATOM 1170 CB MET A 79 -12.672 -5.418 -0.441 1.00 0.00 C ATOM 1171 CG MET A 79 -12.393 -6.750 0.256 1.00 0.00 C ATOM 1172 SD MET A 79 -12.222 -8.147 -0.893 1.00 0.00 S ATOM 1173 CE MET A 79 -12.078 -9.482 0.313 1.00 0.00 C ATOM 0 H MET A 79 -9.583 -5.090 -0.410 1.00 0.00 H new ATOM 0 HA MET A 79 -11.066 -5.830 -1.798 1.00 0.00 H new ATOM 0 HB2 MET A 79 -12.902 -4.659 0.306 1.00 0.00 H new ATOM 0 HB3 MET A 79 -13.552 -5.518 -1.076 1.00 0.00 H new ATOM 0 HG2 MET A 79 -11.479 -6.659 0.844 1.00 0.00 H new ATOM 0 HG3 MET A 79 -13.202 -6.962 0.955 1.00 0.00 H new ATOM 0 HE1 MET A 79 -11.588 -10.339 -0.149 1.00 0.00 H new ATOM 0 HE2 MET A 79 -11.488 -9.142 1.164 1.00 0.00 H new ATOM 0 HE3 MET A 79 -13.072 -9.773 0.654 1.00 0.00 H new ATOM 1183 N ILE A 80 -11.090 -2.993 -2.771 1.00 0.00 N ATOM 1184 CA ILE A 80 -11.212 -2.170 -3.985 1.00 0.00 C ATOM 1185 C ILE A 80 -10.775 -2.974 -5.220 1.00 0.00 C ATOM 1186 O ILE A 80 -9.954 -3.883 -5.122 1.00 0.00 O ATOM 1187 CB ILE A 80 -10.450 -0.832 -3.782 1.00 0.00 C ATOM 1188 CG1 ILE A 80 -11.404 0.194 -3.126 1.00 0.00 C ATOM 1189 CG2 ILE A 80 -9.773 -0.274 -5.042 1.00 0.00 C ATOM 1190 CD1 ILE A 80 -10.878 1.635 -3.064 1.00 0.00 C ATOM 0 H ILE A 80 -10.333 -2.690 -2.159 1.00 0.00 H new ATOM 0 HA ILE A 80 -12.252 -1.902 -4.169 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.611 -1.040 -3.118 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -12.346 0.192 -3.675 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -11.626 -0.138 -2.112 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -9.267 0.661 -4.800 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.045 -0.995 -5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.526 -0.091 -5.809 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.621 2.273 -2.587 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.954 1.660 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.685 1.996 -4.074 1.00 0.00 H new ATOM 1202 N LYS A 81 -11.318 -2.643 -6.396 1.00 0.00 N ATOM 1203 CA LYS A 81 -11.075 -3.342 -7.668 1.00 0.00 C ATOM 1204 C LYS A 81 -10.289 -2.481 -8.666 1.00 0.00 C ATOM 1205 O LYS A 81 -10.825 -2.044 -9.686 1.00 0.00 O ATOM 1206 CB LYS A 81 -12.415 -3.847 -8.225 1.00 0.00 C ATOM 1207 CG LYS A 81 -13.069 -4.900 -7.310 1.00 0.00 C ATOM 1208 CD LYS A 81 -14.300 -5.563 -7.943 1.00 0.00 C ATOM 1209 CE LYS A 81 -13.914 -6.571 -9.033 1.00 0.00 C ATOM 1210 NZ LYS A 81 -15.113 -7.128 -9.714 1.00 0.00 N ATOM 0 H LYS A 81 -11.960 -1.856 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.434 -4.205 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.095 -3.004 -8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.256 -4.277 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.335 -5.668 -7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -13.360 -4.428 -6.372 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.877 -6.069 -7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.945 -4.796 -8.371 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.271 -6.085 -9.767 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -13.336 -7.383 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.814 -7.805 -10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.714 -7.613 -9.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -15.651 -6.356 -10.157 1.00 0.00 H new ATOM 1224 N LEU A 82 -9.007 -2.246 -8.378 1.00 0.00 N ATOM 1225 CA LEU A 82 -8.085 -1.510 -9.256 1.00 0.00 C ATOM 1226 C LEU A 82 -8.006 -2.196 -10.636 1.00 0.00 C ATOM 1227 O LEU A 82 -7.750 -3.400 -10.706 1.00 0.00 O ATOM 1228 CB LEU A 82 -6.716 -1.411 -8.553 1.00 0.00 C ATOM 1229 CG LEU A 82 -5.665 -0.539 -9.265 1.00 0.00 C ATOM 1230 CD1 LEU A 82 -6.177 0.876 -9.541 1.00 0.00 C ATOM 1231 CD2 LEU A 82 -4.423 -0.434 -8.377 1.00 0.00 C ATOM 0 H LEU A 82 -8.570 -2.566 -7.514 1.00 0.00 H new ATOM 0 HA LEU A 82 -8.444 -0.497 -9.438 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.871 -1.015 -7.549 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.312 -2.417 -8.440 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.437 -1.012 -10.220 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -5.400 1.452 -10.044 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.061 0.826 -10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -6.435 1.360 -8.599 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.672 0.182 -8.873 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.694 0.021 -7.424 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.016 -1.430 -8.201 1.00 0.00 H new ATOM 1243 N TYR A 83 -8.285 -1.462 -11.724 1.00 0.00 N ATOM 1244 CA TYR A 83 -8.480 -2.035 -13.074 1.00 0.00 C ATOM 1245 C TYR A 83 -9.385 -3.303 -13.160 1.00 0.00 C ATOM 1246 O TYR A 83 -9.185 -4.152 -14.031 1.00 0.00 O ATOM 1247 CB TYR A 83 -7.119 -2.222 -13.773 1.00 0.00 C ATOM 1248 CG TYR A 83 -6.294 -0.958 -13.935 1.00 0.00 C ATOM 1249 CD1 TYR A 83 -5.006 -0.879 -13.371 1.00 0.00 C ATOM 1250 CD2 TYR A 83 -6.795 0.120 -14.694 1.00 0.00 C ATOM 1251 CE1 TYR A 83 -4.210 0.262 -13.583 1.00 0.00 C ATOM 1252 CE2 TYR A 83 -6.006 1.270 -14.894 1.00 0.00 C ATOM 1253 CZ TYR A 83 -4.707 1.342 -14.347 1.00 0.00 C ATOM 1254 OH TYR A 83 -3.941 2.442 -14.581 1.00 0.00 O ATOM 0 H TYR A 83 -8.383 -0.447 -11.697 1.00 0.00 H new ATOM 0 HA TYR A 83 -9.067 -1.296 -13.620 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -6.535 -2.947 -13.207 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -7.292 -2.652 -14.759 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.628 -1.696 -12.774 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -7.785 0.064 -15.122 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -3.217 0.312 -13.161 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -6.396 2.098 -15.467 1.00 0.00 H new ATOM 0 HH TYR A 83 -4.445 3.082 -15.125 1.00 0.00 H new ATOM 1264 N GLY A 84 -10.391 -3.457 -12.284 1.00 0.00 N ATOM 1265 CA GLY A 84 -11.362 -4.568 -12.335 1.00 0.00 C ATOM 1266 C GLY A 84 -10.870 -5.915 -11.773 1.00 0.00 C ATOM 1267 O GLY A 84 -11.348 -6.970 -12.196 1.00 0.00 O ATOM 0 H GLY A 84 -10.557 -2.810 -11.513 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -12.255 -4.271 -11.785 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.662 -4.716 -13.372 1.00 0.00 H new ATOM 1271 N LYS A 85 -9.930 -5.891 -10.820 1.00 0.00 N ATOM 1272 CA LYS A 85 -9.298 -7.024 -10.138 1.00 0.00 C ATOM 1273 C LYS A 85 -9.170 -6.664 -8.645 1.00 0.00 C ATOM 1274 O LYS A 85 -8.576 -5.629 -8.335 1.00 0.00 O ATOM 1275 CB LYS A 85 -7.925 -7.283 -10.786 1.00 0.00 C ATOM 1276 CG LYS A 85 -7.217 -8.511 -10.193 1.00 0.00 C ATOM 1277 CD LYS A 85 -5.842 -8.712 -10.845 1.00 0.00 C ATOM 1278 CE LYS A 85 -5.134 -9.920 -10.219 1.00 0.00 C ATOM 1279 NZ LYS A 85 -3.789 -10.135 -10.810 1.00 0.00 N ATOM 0 H LYS A 85 -9.562 -5.003 -10.479 1.00 0.00 H new ATOM 0 HA LYS A 85 -9.889 -7.936 -10.228 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -8.054 -7.425 -11.859 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -7.293 -6.405 -10.654 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.100 -8.385 -9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.830 -9.399 -10.345 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.958 -8.865 -11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -5.234 -7.817 -10.714 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -5.039 -9.769 -9.144 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -5.742 -10.813 -10.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.327 -10.939 -10.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.884 -10.337 -11.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.212 -9.280 -10.680 1.00 0.00 H new ATOM 1293 N PRO A 86 -9.765 -7.433 -7.717 1.00 0.00 N ATOM 1294 CA PRO A 86 -9.839 -7.062 -6.305 1.00 0.00 C ATOM 1295 C PRO A 86 -8.467 -7.120 -5.617 1.00 0.00 C ATOM 1296 O PRO A 86 -7.811 -8.164 -5.597 1.00 0.00 O ATOM 1297 CB PRO A 86 -10.877 -7.998 -5.677 1.00 0.00 C ATOM 1298 CG PRO A 86 -10.897 -9.208 -6.608 1.00 0.00 C ATOM 1299 CD PRO A 86 -10.581 -8.605 -7.975 1.00 0.00 C ATOM 0 HA PRO A 86 -10.146 -6.023 -6.181 1.00 0.00 H new ATOM 0 HB2 PRO A 86 -10.597 -8.280 -4.662 1.00 0.00 H new ATOM 0 HB3 PRO A 86 -11.857 -7.524 -5.617 1.00 0.00 H new ATOM 0 HG2 PRO A 86 -10.156 -9.953 -6.316 1.00 0.00 H new ATOM 0 HG3 PRO A 86 -11.867 -9.704 -6.602 1.00 0.00 H new ATOM 0 HD2 PRO A 86 -10.049 -9.320 -8.603 1.00 0.00 H new ATOM 0 HD3 PRO A 86 -11.496 -8.335 -8.503 1.00 0.00 H new ATOM 1307 N ILE A 87 -8.056 -5.993 -5.028 1.00 0.00 N ATOM 1308 CA ILE A 87 -6.830 -5.849 -4.234 1.00 0.00 C ATOM 1309 C ILE A 87 -7.109 -6.008 -2.734 1.00 0.00 C ATOM 1310 O ILE A 87 -8.163 -5.608 -2.231 1.00 0.00 O ATOM 1311 CB ILE A 87 -6.070 -4.534 -4.540 1.00 0.00 C ATOM 1312 CG1 ILE A 87 -6.919 -3.255 -4.364 1.00 0.00 C ATOM 1313 CG2 ILE A 87 -5.487 -4.593 -5.962 1.00 0.00 C ATOM 1314 CD1 ILE A 87 -6.084 -1.979 -4.190 1.00 0.00 C ATOM 0 H ILE A 87 -8.586 -5.124 -5.093 1.00 0.00 H new ATOM 0 HA ILE A 87 -6.169 -6.662 -4.535 1.00 0.00 H new ATOM 0 HB ILE A 87 -5.273 -4.462 -3.800 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -7.568 -3.138 -5.232 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -7.567 -3.376 -3.496 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -4.953 -3.667 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -4.799 -5.435 -6.038 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -6.296 -4.719 -6.682 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.748 -1.123 -4.072 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -5.454 -2.074 -3.306 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.456 -1.833 -5.069 1.00 0.00 H new ATOM 1326 N ARG A 88 -6.138 -6.574 -2.008 1.00 0.00 N ATOM 1327 CA ARG A 88 -6.121 -6.648 -0.539 1.00 0.00 C ATOM 1328 C ARG A 88 -5.044 -5.734 0.035 1.00 0.00 C ATOM 1329 O ARG A 88 -3.930 -5.702 -0.492 1.00 0.00 O ATOM 1330 CB ARG A 88 -5.936 -8.096 -0.052 1.00 0.00 C ATOM 1331 CG ARG A 88 -7.049 -9.076 -0.467 1.00 0.00 C ATOM 1332 CD ARG A 88 -8.484 -8.609 -0.167 1.00 0.00 C ATOM 1333 NE ARG A 88 -8.659 -8.094 1.206 1.00 0.00 N ATOM 1334 CZ ARG A 88 -8.886 -8.755 2.321 1.00 0.00 C ATOM 1335 NH1 ARG A 88 -8.902 -10.058 2.376 1.00 0.00 N ATOM 1336 NH2 ARG A 88 -9.113 -8.094 3.416 1.00 0.00 N ATOM 0 H ARG A 88 -5.319 -7.006 -2.436 1.00 0.00 H new ATOM 0 HA ARG A 88 -7.089 -6.302 -0.176 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.985 -8.471 -0.430 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -5.866 -8.090 1.036 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -6.963 -9.266 -1.537 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -6.881 -10.026 0.040 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -8.760 -7.830 -0.877 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -9.169 -9.442 -0.325 1.00 0.00 H new ATOM 0 HE ARG A 88 -8.595 -7.081 1.304 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -8.734 -10.606 1.532 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -9.082 -10.529 3.263 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -9.114 -7.074 3.405 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -9.290 -8.595 4.287 1.00 0.00 H new ATOM 1350 N VAL A 89 -5.365 -5.009 1.106 1.00 0.00 N ATOM 1351 CA VAL A 89 -4.481 -4.012 1.738 1.00 0.00 C ATOM 1352 C VAL A 89 -4.400 -4.229 3.249 1.00 0.00 C ATOM 1353 O VAL A 89 -5.410 -4.505 3.896 1.00 0.00 O ATOM 1354 CB VAL A 89 -4.917 -2.571 1.392 1.00 0.00 C ATOM 1355 CG1 VAL A 89 -3.920 -1.521 1.893 1.00 0.00 C ATOM 1356 CG2 VAL A 89 -5.014 -2.375 -0.125 1.00 0.00 C ATOM 0 H VAL A 89 -6.267 -5.096 1.575 1.00 0.00 H new ATOM 0 HA VAL A 89 -3.479 -4.151 1.332 1.00 0.00 H new ATOM 0 HB VAL A 89 -5.883 -2.438 1.879 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -4.274 -0.526 1.624 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -3.830 -1.593 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.946 -1.696 1.435 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -5.323 -1.352 -0.341 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -4.041 -2.564 -0.579 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.747 -3.069 -0.535 1.00 0.00 H new ATOM 1366 N ASN A 90 -3.190 -4.120 3.810 1.00 0.00 N ATOM 1367 CA ASN A 90 -2.881 -4.269 5.242 1.00 0.00 C ATOM 1368 C ASN A 90 -1.509 -3.630 5.563 1.00 0.00 C ATOM 1369 O ASN A 90 -0.819 -3.146 4.665 1.00 0.00 O ATOM 1370 CB ASN A 90 -2.913 -5.779 5.575 1.00 0.00 C ATOM 1371 CG ASN A 90 -3.004 -6.115 7.057 1.00 0.00 C ATOM 1372 OD1 ASN A 90 -3.124 -5.259 7.921 1.00 0.00 O ATOM 1373 ND2 ASN A 90 -2.949 -7.380 7.400 1.00 0.00 N ATOM 0 H ASN A 90 -2.359 -3.916 3.254 1.00 0.00 H new ATOM 0 HA ASN A 90 -3.616 -3.751 5.858 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.764 -6.229 5.064 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -2.015 -6.243 5.168 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -3.006 -7.645 8.383 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.849 -8.099 6.683 1.00 0.00 H new ATOM 1380 N LYS A 91 -1.086 -3.638 6.832 1.00 0.00 N ATOM 1381 CA LYS A 91 0.259 -3.239 7.285 1.00 0.00 C ATOM 1382 C LYS A 91 1.339 -4.075 6.580 1.00 0.00 C ATOM 1383 O LYS A 91 1.173 -5.287 6.425 1.00 0.00 O ATOM 1384 CB LYS A 91 0.368 -3.437 8.813 1.00 0.00 C ATOM 1385 CG LYS A 91 -0.733 -2.758 9.650 1.00 0.00 C ATOM 1386 CD LYS A 91 -0.628 -1.226 9.714 1.00 0.00 C ATOM 1387 CE LYS A 91 0.534 -0.728 10.585 1.00 0.00 C ATOM 1388 NZ LYS A 91 0.395 -1.100 12.017 1.00 0.00 N ATOM 0 H LYS A 91 -1.688 -3.932 7.601 1.00 0.00 H new ATOM 0 HA LYS A 91 0.414 -2.189 7.036 1.00 0.00 H new ATOM 0 HB2 LYS A 91 0.354 -4.506 9.025 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.336 -3.059 9.143 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -1.705 -3.026 9.236 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -0.698 -3.155 10.664 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -0.508 -0.835 8.704 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -1.563 -0.822 10.103 1.00 0.00 H new ATOM 0 HE2 LYS A 91 1.469 -1.136 10.200 1.00 0.00 H new ATOM 0 HE3 LYS A 91 0.602 0.357 10.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.256 -0.825 12.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -0.425 -0.608 12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.257 -2.128 12.097 1.00 0.00 H new ATOM 1402 N ALA A 92 2.465 -3.466 6.202 1.00 0.00 N ATOM 1403 CA ALA A 92 3.572 -4.180 5.550 1.00 0.00 C ATOM 1404 C ALA A 92 4.281 -5.195 6.476 1.00 0.00 C ATOM 1405 O ALA A 92 4.827 -6.190 5.995 1.00 0.00 O ATOM 1406 CB ALA A 92 4.558 -3.144 5.007 1.00 0.00 C ATOM 0 H ALA A 92 2.638 -2.470 6.337 1.00 0.00 H new ATOM 0 HA ALA A 92 3.159 -4.778 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.389 -3.653 4.518 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.051 -2.502 4.286 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.938 -2.537 5.829 1.00 0.00 H new ATOM 1412 N SER A 93 4.227 -4.972 7.795 1.00 0.00 N ATOM 1413 CA SER A 93 4.766 -5.858 8.843 1.00 0.00 C ATOM 1414 C SER A 93 3.681 -6.256 9.859 1.00 0.00 C ATOM 1415 O SER A 93 3.835 -6.069 11.068 1.00 0.00 O ATOM 1416 CB SER A 93 5.991 -5.221 9.516 1.00 0.00 C ATOM 1417 OG SER A 93 7.034 -5.018 8.577 1.00 0.00 O ATOM 0 H SER A 93 3.789 -4.135 8.181 1.00 0.00 H new ATOM 0 HA SER A 93 5.099 -6.782 8.370 1.00 0.00 H new ATOM 0 HB2 SER A 93 5.710 -4.269 9.966 1.00 0.00 H new ATOM 0 HB3 SER A 93 6.343 -5.863 10.323 1.00 0.00 H new ATOM 0 HG SER A 93 7.804 -4.610 9.026 1.00 0.00 H new ATOM 1423 N ALA A 94 2.546 -6.765 9.362 1.00 0.00 N ATOM 1424 CA ALA A 94 1.409 -7.201 10.180 1.00 0.00 C ATOM 1425 C ALA A 94 1.748 -8.367 11.139 1.00 0.00 C ATOM 1426 O ALA A 94 2.648 -9.173 10.881 1.00 0.00 O ATOM 1427 CB ALA A 94 0.248 -7.577 9.248 1.00 0.00 C ATOM 0 H ALA A 94 2.390 -6.887 8.361 1.00 0.00 H new ATOM 0 HA ALA A 94 1.127 -6.370 10.826 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -0.605 -7.903 9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -0.036 -6.710 8.652 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.560 -8.385 8.587 1.00 0.00 H new ATOM 1433 N HIS A 95 0.992 -8.477 12.236 1.00 0.00 N ATOM 1434 CA HIS A 95 1.135 -9.539 13.245 1.00 0.00 C ATOM 1435 C HIS A 95 0.513 -10.874 12.797 1.00 0.00 C ATOM 1436 O HIS A 95 -0.455 -10.902 12.034 1.00 0.00 O ATOM 1437 CB HIS A 95 0.539 -9.077 14.585 1.00 0.00 C ATOM 1438 CG HIS A 95 1.382 -8.043 15.291 1.00 0.00 C ATOM 1439 ND1 HIS A 95 2.316 -8.318 16.294 1.00 0.00 N ATOM 1440 CD2 HIS A 95 1.378 -6.700 15.048 1.00 0.00 C ATOM 1441 CE1 HIS A 95 2.854 -7.134 16.632 1.00 0.00 C ATOM 1442 NE2 HIS A 95 2.309 -6.148 15.900 1.00 0.00 N ATOM 0 H HIS A 95 0.246 -7.817 12.455 1.00 0.00 H new ATOM 0 HA HIS A 95 2.202 -9.725 13.371 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -0.455 -8.666 14.410 1.00 0.00 H new ATOM 0 HB3 HIS A 95 0.416 -9.942 15.237 1.00 0.00 H new ATOM 0 HD2 HIS A 95 0.766 -6.174 14.330 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.616 -6.995 17.385 1.00 0.00 H new ATOM 0 HE2 HIS A 95 2.545 -5.158 15.964 1.00 0.00 H new ATOM 1450 N ASN A 96 1.050 -11.979 13.324 1.00 0.00 N ATOM 1451 CA ASN A 96 0.612 -13.363 13.075 1.00 0.00 C ATOM 1452 C ASN A 96 0.202 -14.114 14.367 1.00 0.00 C ATOM 1453 O ASN A 96 0.214 -15.349 14.413 1.00 0.00 O ATOM 1454 CB ASN A 96 1.702 -14.092 12.258 1.00 0.00 C ATOM 1455 CG ASN A 96 3.008 -14.340 13.007 1.00 0.00 C ATOM 1456 OD1 ASN A 96 3.251 -13.859 14.107 1.00 0.00 O ATOM 1457 ND2 ASN A 96 3.911 -15.091 12.418 1.00 0.00 N ATOM 0 H ASN A 96 1.840 -11.934 13.967 1.00 0.00 H new ATOM 0 HA ASN A 96 -0.305 -13.342 12.486 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.305 -15.050 11.923 1.00 0.00 H new ATOM 0 HB3 ASN A 96 1.918 -13.507 11.364 1.00 0.00 H new ATOM 0 HD21 ASN A 96 4.804 -15.269 12.877 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.719 -15.496 11.502 1.00 0.00 H new ATOM 1464 N LYS A 97 -0.134 -13.368 15.430 1.00 0.00 N ATOM 1465 CA LYS A 97 -0.437 -13.885 16.779 1.00 0.00 C ATOM 1466 C LYS A 97 -1.726 -14.722 16.808 1.00 0.00 C ATOM 1467 O LYS A 97 -2.691 -14.423 16.099 1.00 0.00 O ATOM 1468 CB LYS A 97 -0.496 -12.719 17.784 1.00 0.00 C ATOM 1469 CG LYS A 97 0.869 -12.022 17.946 1.00 0.00 C ATOM 1470 CD LYS A 97 0.814 -10.763 18.825 1.00 0.00 C ATOM 1471 CE LYS A 97 0.448 -11.067 20.284 1.00 0.00 C ATOM 1472 NZ LYS A 97 0.512 -9.838 21.110 1.00 0.00 N ATOM 0 H LYS A 97 -0.206 -12.352 15.375 1.00 0.00 H new ATOM 0 HA LYS A 97 0.368 -14.560 17.070 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.236 -11.992 17.451 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.829 -13.092 18.752 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.579 -12.727 18.379 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.249 -11.751 16.961 1.00 0.00 H new ATOM 0 HD2 LYS A 97 1.782 -10.263 18.795 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.084 -10.068 18.410 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.555 -11.490 20.331 1.00 0.00 H new ATOM 0 HE3 LYS A 97 1.130 -11.817 20.686 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 0.277 -10.070 22.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.472 -9.440 21.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -0.168 -9.140 20.747 1.00 0.00 H new ATOM 1486 N ASN A 98 -1.736 -15.758 17.649 1.00 0.00 N ATOM 1487 CA ASN A 98 -2.794 -16.778 17.743 1.00 0.00 C ATOM 1488 C ASN A 98 -3.243 -17.084 19.193 1.00 0.00 C ATOM 1489 O ASN A 98 -3.786 -18.160 19.468 1.00 0.00 O ATOM 1490 CB ASN A 98 -2.339 -18.035 16.969 1.00 0.00 C ATOM 1491 CG ASN A 98 -1.173 -18.790 17.597 1.00 0.00 C ATOM 1492 OD1 ASN A 98 -0.526 -18.359 18.543 1.00 0.00 O ATOM 1493 ND2 ASN A 98 -0.848 -19.950 17.071 1.00 0.00 N ATOM 0 H ASN A 98 -0.978 -15.920 18.312 1.00 0.00 H new ATOM 0 HA ASN A 98 -3.697 -16.380 17.279 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -3.186 -18.715 16.879 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -2.059 -17.739 15.958 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -0.064 -20.481 17.451 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -1.380 -20.319 16.283 1.00 0.00 H new ATOM 1500 N LEU A 99 -3.005 -16.158 20.131 1.00 0.00 N ATOM 1501 CA LEU A 99 -3.317 -16.315 21.558 1.00 0.00 C ATOM 1502 C LEU A 99 -4.834 -16.465 21.809 1.00 0.00 C ATOM 1503 O LEU A 99 -5.648 -15.737 21.234 1.00 0.00 O ATOM 1504 CB LEU A 99 -2.707 -15.119 22.320 1.00 0.00 C ATOM 1505 CG LEU A 99 -2.855 -15.162 23.854 1.00 0.00 C ATOM 1506 CD1 LEU A 99 -2.132 -16.354 24.485 1.00 0.00 C ATOM 1507 CD2 LEU A 99 -2.283 -13.883 24.463 1.00 0.00 C ATOM 0 H LEU A 99 -2.580 -15.257 19.913 1.00 0.00 H new ATOM 0 HA LEU A 99 -2.876 -17.240 21.930 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -1.646 -15.059 22.077 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.170 -14.203 21.954 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.921 -15.259 24.062 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -2.271 -16.333 25.566 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -2.542 -17.281 24.085 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.068 -16.298 24.254 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -2.389 -13.917 25.547 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.228 -13.797 24.204 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.823 -13.021 24.072 1.00 0.00 H new ATOM 1519 N SER A 100 -5.211 -17.385 22.701 1.00 0.00 N ATOM 1520 CA SER A 100 -6.602 -17.753 23.026 1.00 0.00 C ATOM 1521 C SER A 100 -7.275 -16.877 24.104 1.00 0.00 C ATOM 1522 O SER A 100 -8.395 -17.168 24.534 1.00 0.00 O ATOM 1523 CB SER A 100 -6.651 -19.241 23.403 1.00 0.00 C ATOM 1524 OG SER A 100 -5.750 -19.519 24.469 1.00 0.00 O ATOM 0 H SER A 100 -4.531 -17.919 23.242 1.00 0.00 H new ATOM 0 HA SER A 100 -7.191 -17.565 22.129 1.00 0.00 H new ATOM 0 HB2 SER A 100 -7.665 -19.514 23.696 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.395 -19.850 22.536 1.00 0.00 H new ATOM 0 HG SER A 100 -5.796 -20.471 24.697 1.00 0.00 H new ATOM 1530 N GLY A 101 -6.620 -15.793 24.534 1.00 0.00 N ATOM 1531 CA GLY A 101 -7.074 -14.903 25.613 1.00 0.00 C ATOM 1532 C GLY A 101 -6.697 -15.388 27.027 1.00 0.00 C ATOM 1533 O GLY A 101 -5.979 -16.385 27.175 1.00 0.00 O ATOM 0 H GLY A 101 -5.731 -15.500 24.129 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -6.649 -13.912 25.455 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -8.157 -14.799 25.553 1.00 0.00 H new ATOM 1537 N PRO A 102 -7.142 -14.677 28.083 1.00 0.00 N ATOM 1538 CA PRO A 102 -6.810 -14.991 29.475 1.00 0.00 C ATOM 1539 C PRO A 102 -7.504 -16.267 29.985 1.00 0.00 C ATOM 1540 O PRO A 102 -8.583 -16.648 29.520 1.00 0.00 O ATOM 1541 CB PRO A 102 -7.230 -13.754 30.277 1.00 0.00 C ATOM 1542 CG PRO A 102 -8.395 -13.191 29.464 1.00 0.00 C ATOM 1543 CD PRO A 102 -7.978 -13.484 28.022 1.00 0.00 C ATOM 0 HA PRO A 102 -5.747 -15.206 29.582 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -7.535 -14.015 31.290 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -6.415 -13.035 30.365 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -9.337 -13.676 29.719 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -8.530 -12.123 29.637 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.850 -13.650 27.389 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.430 -12.644 27.595 1.00 0.00 H new ATOM 1551 N SER A 103 -6.895 -16.912 30.985 1.00 0.00 N ATOM 1552 CA SER A 103 -7.432 -18.105 31.667 1.00 0.00 C ATOM 1553 C SER A 103 -8.489 -17.788 32.740 1.00 0.00 C ATOM 1554 O SER A 103 -9.322 -18.646 33.045 1.00 0.00 O ATOM 1555 CB SER A 103 -6.275 -18.899 32.286 1.00 0.00 C ATOM 1556 OG SER A 103 -5.495 -18.072 33.140 1.00 0.00 O ATOM 0 H SER A 103 -5.992 -16.615 31.356 1.00 0.00 H new ATOM 0 HA SER A 103 -7.945 -18.696 30.908 1.00 0.00 H new ATOM 0 HB2 SER A 103 -6.669 -19.744 32.851 1.00 0.00 H new ATOM 0 HB3 SER A 103 -5.646 -19.309 31.496 1.00 0.00 H new ATOM 0 HG SER A 103 -4.764 -18.598 33.526 1.00 0.00 H new ATOM 1562 N SER A 104 -8.488 -16.555 33.269 1.00 0.00 N ATOM 1563 CA SER A 104 -9.370 -16.033 34.335 1.00 0.00 C ATOM 1564 C SER A 104 -9.276 -16.761 35.695 1.00 0.00 C ATOM 1565 O SER A 104 -8.684 -17.838 35.824 1.00 0.00 O ATOM 1566 CB SER A 104 -10.824 -15.923 33.841 1.00 0.00 C ATOM 1567 OG SER A 104 -10.901 -15.083 32.696 1.00 0.00 O ATOM 0 H SER A 104 -7.830 -15.846 32.945 1.00 0.00 H new ATOM 0 HA SER A 104 -8.989 -15.035 34.550 1.00 0.00 H new ATOM 0 HB2 SER A 104 -11.207 -16.914 33.598 1.00 0.00 H new ATOM 0 HB3 SER A 104 -11.454 -15.523 34.635 1.00 0.00 H new ATOM 0 HG SER A 104 -11.832 -15.026 32.394 1.00 0.00 H new ATOM 1573 N GLY A 105 -9.843 -16.143 36.741 1.00 0.00 N ATOM 1574 CA GLY A 105 -9.846 -16.645 38.126 1.00 0.00 C ATOM 1575 C GLY A 105 -10.644 -15.754 39.078 1.00 0.00 C ATOM 1576 O GLY A 105 -10.185 -14.623 39.354 1.00 0.00 O ATOM 1577 OXT GLY A 105 -11.726 -16.187 39.532 1.00 0.00 O ATOM 0 H GLY A 105 -10.328 -15.251 36.645 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -10.264 -17.652 38.142 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -8.819 -16.721 38.482 1.00 0.00 H new TER 1581 GLY A 105