USER MOD reduce.3.24.130724 H: found=0, std=0, add=880, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 879 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 82 THR OG1 : rot 111:sc= -1.52 USER MOD Set 1.2: A 84 HIS : no HD1:sc= -1.17 K(o=-2.7,f=-4.8) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 180:sc= 0.00537 USER MOD Single : A 30 CYS SG : rot 2:sc= -0.477 USER MOD Single : A 31 THR OG1 : rot 98:sc= 2.03 USER MOD Single : A 32 THR OG1 : rot 22:sc= 0.333 USER MOD Single : A 35 ASN : amide:sc= -0.799 K(o=-0.8,f=-2.6!) USER MOD Single : A 37 ASN : amide:sc= -0.312 K(o=-0.31,f=-2) USER MOD Single : A 45 SER OG : rot 79:sc= 0.112 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.683 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 67 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0161) USER MOD Single : A 68 GLN :FLIP amide:sc= -4.12! C(o=-5.6!,f=-4.1!) USER MOD Single : A 70 LYS NZ :NH3+ -172:sc= -0.479 (180deg=-0.656) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 73 HIS : no HE2:sc= -3.43! C(o=-3.4!,f=-4.7!) USER MOD Single : A 75 MET CE :methyl -178:sc= -0.584 (180deg=-0.591) USER MOD Single : A 81 MET CE :methyl 157:sc= -6.8! (180deg=-9.86!) USER MOD Single : A 85 SER OG : rot -45:sc= 0.887 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot -133:sc= -3.28! USER MOD Single : A 95 GLN : amide:sc= -0.0799 K(o=-0.08,f=-2.7!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0.35) USER MOD Single : A 101 TYR OH : rot 30:sc= -2.17! USER MOD Single : A 104 LYS NZ :NH3+ -152:sc= 0.614 (180deg=0.254) USER MOD Single : A 120 SER OG : rot 87:sc= 0.951 USER MOD Single : A 121 HIS : no HE2:sc=9.43e-05 X(o=9.4e-05,f=-0.05) USER MOD Single : A 122 TYR OH : rot -81:sc= 0.497 USER MOD ----------------------------------------------------------------- ATOM 35 N ARG A 3 3.662 -3.727 -0.895 1.00 1.23 N ATOM 36 CA ARG A 3 4.960 -3.824 -1.551 1.00 42.21 C ATOM 37 C ARG A 3 5.501 -5.249 -1.478 1.00 42.22 C ATOM 38 O ARG A 3 6.437 -5.606 -2.192 1.00 41.34 O ATOM 39 CB ARG A 3 5.955 -2.856 -0.907 1.00 53.25 C ATOM 40 CG ARG A 3 6.622 -3.409 0.341 1.00 65.33 C ATOM 41 CD ARG A 3 5.615 -3.638 1.457 1.00 60.24 C ATOM 42 NE ARG A 3 4.946 -2.402 1.852 1.00 3.43 N ATOM 43 CZ ARG A 3 5.521 -1.459 2.591 1.00 22.21 C ATOM 44 NH1 ARG A 3 6.769 -1.611 3.012 1.00 64.33 N ATOM 45 NH2 ARG A 3 4.848 -0.361 2.910 1.00 34.41 N ATOM 0 HA ARG A 3 4.830 -3.556 -2.600 1.00 42.21 H new ATOM 0 HB2 ARG A 3 6.724 -2.600 -1.636 1.00 53.25 H new ATOM 0 HB3 ARG A 3 5.437 -1.932 -0.652 1.00 53.25 H new ATOM 0 HG2 ARG A 3 7.121 -4.348 0.102 1.00 65.33 H new ATOM 0 HG3 ARG A 3 7.392 -2.716 0.681 1.00 65.33 H new ATOM 0 HD2 ARG A 3 4.871 -4.365 1.130 1.00 60.24 H new ATOM 0 HD3 ARG A 3 6.122 -4.068 2.321 1.00 60.24 H new ATOM 0 HE ARG A 3 3.985 -2.254 1.544 1.00 3.43 H new ATOM 0 HH11 ARG A 3 7.290 -2.453 2.769 1.00 64.33 H new ATOM 0 HH12 ARG A 3 7.208 -0.886 3.579 1.00 64.33 H new ATOM 0 HH21 ARG A 3 3.888 -0.240 2.588 1.00 34.41 H new ATOM 0 HH22 ARG A 3 5.291 0.362 3.477 1.00 34.41 H new ATOM 59 N GLY A 4 4.905 -6.059 -0.609 1.00 31.12 N ATOM 60 CA GLY A 4 5.341 -7.435 -0.458 1.00 34.11 C ATOM 61 C GLY A 4 4.199 -8.370 -0.112 1.00 71.21 C ATOM 62 O GLY A 4 3.677 -8.338 1.003 1.00 44.40 O ATOM 0 H GLY A 4 4.128 -5.787 -0.007 1.00 31.12 H new ATOM 0 HA2 GLY A 4 5.811 -7.768 -1.383 1.00 34.11 H new ATOM 0 HA3 GLY A 4 6.100 -7.489 0.322 1.00 34.11 H new ATOM 66 N ILE A 5 3.808 -9.204 -1.070 1.00 25.32 N ATOM 67 CA ILE A 5 2.721 -10.152 -0.860 1.00 53.35 C ATOM 68 C ILE A 5 3.210 -11.398 -0.131 1.00 21.11 C ATOM 69 O ILE A 5 4.173 -12.040 -0.552 1.00 55.24 O ATOM 70 CB ILE A 5 2.075 -10.572 -2.194 1.00 43.53 C ATOM 71 CG1 ILE A 5 1.466 -9.356 -2.896 1.00 33.01 C ATOM 72 CG2 ILE A 5 1.017 -11.639 -1.958 1.00 25.10 C ATOM 73 CD1 ILE A 5 1.192 -9.582 -4.366 1.00 53.53 C ATOM 0 H ILE A 5 4.228 -9.242 -1.999 1.00 25.32 H new ATOM 0 HA ILE A 5 1.975 -9.645 -0.247 1.00 53.35 H new ATOM 0 HB ILE A 5 2.848 -10.991 -2.839 1.00 43.53 H new ATOM 0 HG12 ILE A 5 0.534 -9.088 -2.398 1.00 33.01 H new ATOM 0 HG13 ILE A 5 2.141 -8.507 -2.787 1.00 33.01 H new ATOM 0 HG21 ILE A 5 0.570 -11.925 -2.910 1.00 25.10 H new ATOM 0 HG22 ILE A 5 1.478 -12.512 -1.496 1.00 25.10 H new ATOM 0 HG23 ILE A 5 0.244 -11.245 -1.298 1.00 25.10 H new ATOM 0 HD11 ILE A 5 0.761 -8.679 -4.799 1.00 53.53 H new ATOM 0 HD12 ILE A 5 2.125 -9.820 -4.877 1.00 53.53 H new ATOM 0 HD13 ILE A 5 0.492 -10.410 -4.483 1.00 53.53 H new ATOM 85 N VAL A 6 2.540 -11.737 0.966 1.00 55.13 N ATOM 86 CA VAL A 6 2.904 -12.909 1.753 1.00 12.31 C ATOM 87 C VAL A 6 1.790 -13.950 1.736 1.00 24.00 C ATOM 88 O VAL A 6 0.621 -13.627 1.947 1.00 25.03 O ATOM 89 CB VAL A 6 3.214 -12.529 3.213 1.00 25.32 C ATOM 90 CG1 VAL A 6 3.864 -13.696 3.942 1.00 71.03 C ATOM 91 CG2 VAL A 6 4.104 -11.296 3.265 1.00 33.11 C ATOM 0 H VAL A 6 1.742 -11.216 1.330 1.00 55.13 H new ATOM 0 HA VAL A 6 3.799 -13.332 1.297 1.00 12.31 H new ATOM 0 HB VAL A 6 2.276 -12.294 3.716 1.00 25.32 H new ATOM 0 HG11 VAL A 6 4.076 -13.409 4.972 1.00 71.03 H new ATOM 0 HG12 VAL A 6 3.188 -14.551 3.935 1.00 71.03 H new ATOM 0 HG13 VAL A 6 4.794 -13.965 3.442 1.00 71.03 H new ATOM 0 HG21 VAL A 6 4.313 -11.042 4.304 1.00 33.11 H new ATOM 0 HG22 VAL A 6 5.040 -11.501 2.746 1.00 33.11 H new ATOM 0 HG23 VAL A 6 3.597 -10.461 2.782 1.00 33.11 H new ATOM 101 N TRP A 7 2.161 -15.200 1.484 1.00 63.01 N ATOM 102 CA TRP A 7 1.193 -16.290 1.440 1.00 63.13 C ATOM 103 C TRP A 7 1.422 -17.268 2.587 1.00 13.22 C ATOM 104 O TRP A 7 2.475 -17.257 3.224 1.00 21.32 O ATOM 105 CB TRP A 7 1.283 -17.025 0.101 1.00 30.35 C ATOM 106 CG TRP A 7 0.850 -16.190 -1.065 1.00 70.23 C ATOM 107 CD1 TRP A 7 0.244 -14.967 -1.018 1.00 30.22 C ATOM 108 CD2 TRP A 7 0.988 -16.518 -2.452 1.00 62.01 C ATOM 109 NE1 TRP A 7 -0.003 -14.515 -2.292 1.00 22.04 N ATOM 110 CE2 TRP A 7 0.445 -15.448 -3.189 1.00 41.44 C ATOM 111 CE3 TRP A 7 1.520 -17.610 -3.143 1.00 33.31 C ATOM 112 CZ2 TRP A 7 0.418 -15.441 -4.581 1.00 43.14 C ATOM 113 CZ3 TRP A 7 1.492 -17.602 -4.524 1.00 60.24 C ATOM 114 CH2 TRP A 7 0.945 -16.523 -5.232 1.00 23.31 C ATOM 0 H TRP A 7 3.125 -15.484 1.307 1.00 63.01 H new ATOM 0 HA TRP A 7 0.196 -15.862 1.546 1.00 63.13 H new ATOM 0 HB2 TRP A 7 2.311 -17.352 -0.057 1.00 30.35 H new ATOM 0 HB3 TRP A 7 0.666 -17.922 0.145 1.00 30.35 H new ATOM 0 HD1 TRP A 7 -0.005 -14.433 -0.113 1.00 30.22 H new ATOM 0 HE1 TRP A 7 -0.448 -13.629 -2.531 1.00 22.04 H new ATOM 0 HE3 TRP A 7 1.945 -18.445 -2.607 1.00 33.31 H new ATOM 0 HZ2 TRP A 7 -0.004 -14.611 -5.128 1.00 43.14 H new ATOM 0 HZ3 TRP A 7 1.899 -18.442 -5.068 1.00 60.24 H new ATOM 0 HH2 TRP A 7 0.939 -16.546 -6.312 1.00 23.31 H new ATOM 125 N VAL A 8 0.428 -18.112 2.846 1.00 24.41 N ATOM 126 CA VAL A 8 0.522 -19.098 3.917 1.00 42.24 C ATOM 127 C VAL A 8 -0.136 -20.412 3.513 1.00 62.32 C ATOM 128 O VAL A 8 -1.147 -20.423 2.811 1.00 50.04 O ATOM 129 CB VAL A 8 -0.135 -18.584 5.212 1.00 63.05 C ATOM 130 CG1 VAL A 8 -0.176 -19.683 6.262 1.00 73.40 C ATOM 131 CG2 VAL A 8 0.605 -17.362 5.735 1.00 20.44 C ATOM 0 H VAL A 8 -0.451 -18.133 2.329 1.00 24.41 H new ATOM 0 HA VAL A 8 1.583 -19.268 4.099 1.00 42.24 H new ATOM 0 HB VAL A 8 -1.161 -18.291 4.988 1.00 63.05 H new ATOM 0 HG11 VAL A 8 -0.643 -19.302 7.170 1.00 73.40 H new ATOM 0 HG12 VAL A 8 -0.753 -20.527 5.883 1.00 73.40 H new ATOM 0 HG13 VAL A 8 0.839 -20.010 6.486 1.00 73.40 H new ATOM 0 HG21 VAL A 8 0.128 -17.012 6.650 1.00 20.44 H new ATOM 0 HG22 VAL A 8 1.641 -17.626 5.944 1.00 20.44 H new ATOM 0 HG23 VAL A 8 0.577 -16.571 4.985 1.00 20.44 H new ATOM 141 N VAL A 9 0.445 -21.521 3.962 1.00 54.24 N ATOM 142 CA VAL A 9 -0.086 -22.842 3.649 1.00 71.24 C ATOM 143 C VAL A 9 -0.161 -23.714 4.897 1.00 63.31 C ATOM 144 O VAL A 9 0.596 -24.674 5.042 1.00 22.31 O ATOM 145 CB VAL A 9 0.773 -23.556 2.588 1.00 4.50 C ATOM 146 CG1 VAL A 9 2.212 -23.683 3.064 1.00 23.23 C ATOM 147 CG2 VAL A 9 0.189 -24.921 2.259 1.00 13.14 C ATOM 0 H VAL A 9 1.283 -21.530 4.543 1.00 54.24 H new ATOM 0 HA VAL A 9 -1.090 -22.693 3.252 1.00 71.24 H new ATOM 0 HB VAL A 9 0.768 -22.956 1.678 1.00 4.50 H new ATOM 0 HG11 VAL A 9 2.804 -24.190 2.302 1.00 23.23 H new ATOM 0 HG12 VAL A 9 2.625 -22.690 3.244 1.00 23.23 H new ATOM 0 HG13 VAL A 9 2.240 -24.260 3.988 1.00 23.23 H new ATOM 0 HG21 VAL A 9 0.809 -25.411 1.508 1.00 13.14 H new ATOM 0 HG22 VAL A 9 0.162 -25.532 3.161 1.00 13.14 H new ATOM 0 HG23 VAL A 9 -0.823 -24.800 1.872 1.00 13.14 H new ATOM 157 N ASP A 10 -1.078 -23.374 5.795 1.00 32.13 N ATOM 158 CA ASP A 10 -1.254 -24.127 7.032 1.00 65.12 C ATOM 159 C ASP A 10 -2.551 -24.929 7.001 1.00 40.25 C ATOM 160 O ASP A 10 -3.343 -24.810 6.066 1.00 72.24 O ATOM 161 CB ASP A 10 -1.252 -23.182 8.234 1.00 15.32 C ATOM 162 CG ASP A 10 -2.389 -22.180 8.184 1.00 35.22 C ATOM 163 OD1 ASP A 10 -2.351 -21.281 7.318 1.00 70.10 O ATOM 164 OD2 ASP A 10 -3.318 -22.296 9.011 1.00 52.14 O ATOM 0 H ASP A 10 -1.712 -22.582 5.690 1.00 32.13 H new ATOM 0 HA ASP A 10 -0.421 -24.823 7.126 1.00 65.12 H new ATOM 0 HB2 ASP A 10 -1.326 -23.766 9.152 1.00 15.32 H new ATOM 0 HB3 ASP A 10 -0.302 -22.648 8.271 1.00 15.32 H new ATOM 169 N ASP A 11 -2.761 -25.745 8.027 1.00 22.23 N ATOM 170 CA ASP A 11 -3.962 -26.567 8.118 1.00 51.03 C ATOM 171 C ASP A 11 -4.760 -26.227 9.373 1.00 63.22 C ATOM 172 O ASP A 11 -5.532 -27.047 9.870 1.00 1.24 O ATOM 173 CB ASP A 11 -3.592 -28.051 8.120 1.00 43.11 C ATOM 174 CG ASP A 11 -4.446 -28.862 7.166 1.00 32.31 C ATOM 175 OD1 ASP A 11 -5.581 -28.432 6.875 1.00 54.25 O ATOM 176 OD2 ASP A 11 -3.980 -29.928 6.712 1.00 72.51 O ATOM 0 H ASP A 11 -2.115 -25.855 8.808 1.00 22.23 H new ATOM 0 HA ASP A 11 -4.583 -26.357 7.247 1.00 51.03 H new ATOM 0 HB2 ASP A 11 -2.543 -28.161 7.847 1.00 43.11 H new ATOM 0 HB3 ASP A 11 -3.702 -28.448 9.129 1.00 43.11 H new ATOM 181 N ASP A 12 -4.567 -25.015 9.880 1.00 43.41 N ATOM 182 CA ASP A 12 -5.268 -24.566 11.077 1.00 20.13 C ATOM 183 C ASP A 12 -6.046 -23.283 10.803 1.00 44.31 C ATOM 184 O ASP A 12 -5.712 -22.526 9.891 1.00 32.00 O ATOM 185 CB ASP A 12 -4.277 -24.342 12.221 1.00 72.22 C ATOM 186 CG ASP A 12 -4.618 -25.160 13.451 1.00 72.12 C ATOM 187 OD1 ASP A 12 -5.813 -25.467 13.647 1.00 1.14 O ATOM 188 OD2 ASP A 12 -3.690 -25.494 14.217 1.00 73.35 O ATOM 0 H ASP A 12 -3.931 -24.325 9.481 1.00 43.41 H new ATOM 0 HA ASP A 12 -5.975 -25.343 11.366 1.00 20.13 H new ATOM 0 HB2 ASP A 12 -3.273 -24.600 11.884 1.00 72.22 H new ATOM 0 HB3 ASP A 12 -4.263 -23.284 12.484 1.00 72.22 H new ATOM 193 N SER A 13 -7.084 -23.045 11.598 1.00 53.25 N ATOM 194 CA SER A 13 -7.913 -21.855 11.437 1.00 23.52 C ATOM 195 C SER A 13 -7.196 -20.618 11.970 1.00 33.54 C ATOM 196 O SER A 13 -7.026 -19.630 11.257 1.00 75.03 O ATOM 197 CB SER A 13 -9.248 -22.037 12.161 1.00 32.01 C ATOM 198 OG SER A 13 -10.321 -21.530 11.387 1.00 51.23 O ATOM 0 H SER A 13 -7.371 -23.660 12.360 1.00 53.25 H new ATOM 0 HA SER A 13 -8.101 -21.714 10.373 1.00 23.52 H new ATOM 0 HB2 SER A 13 -9.412 -23.095 12.367 1.00 32.01 H new ATOM 0 HB3 SER A 13 -9.216 -21.526 13.123 1.00 32.01 H new ATOM 0 HG SER A 13 -11.163 -21.660 11.871 1.00 51.23 H new ATOM 204 N SER A 14 -6.778 -20.682 13.231 1.00 52.34 N ATOM 205 CA SER A 14 -6.083 -19.566 13.862 1.00 34.23 C ATOM 206 C SER A 14 -4.751 -19.294 13.170 1.00 54.30 C ATOM 207 O SER A 14 -4.422 -18.147 12.865 1.00 65.35 O ATOM 208 CB SER A 14 -5.850 -19.858 15.346 1.00 42.41 C ATOM 209 OG SER A 14 -6.951 -19.430 16.129 1.00 24.21 O ATOM 0 H SER A 14 -6.908 -21.494 13.835 1.00 52.34 H new ATOM 0 HA SER A 14 -6.709 -18.679 13.767 1.00 34.23 H new ATOM 0 HB2 SER A 14 -5.692 -20.927 15.489 1.00 42.41 H new ATOM 0 HB3 SER A 14 -4.944 -19.354 15.681 1.00 42.41 H new ATOM 0 HG SER A 14 -6.778 -19.629 17.073 1.00 24.21 H new ATOM 215 N ILE A 15 -3.991 -20.355 12.926 1.00 63.31 N ATOM 216 CA ILE A 15 -2.695 -20.232 12.269 1.00 54.40 C ATOM 217 C ILE A 15 -2.787 -19.337 11.038 1.00 42.33 C ATOM 218 O ILE A 15 -1.994 -18.410 10.871 1.00 25.10 O ATOM 219 CB ILE A 15 -2.143 -21.607 11.850 1.00 1.14 C ATOM 220 CG1 ILE A 15 -1.863 -22.466 13.085 1.00 2.33 C ATOM 221 CG2 ILE A 15 -0.881 -21.439 11.018 1.00 63.43 C ATOM 222 CD1 ILE A 15 -0.863 -21.847 14.037 1.00 33.25 C ATOM 0 H ILE A 15 -4.250 -21.310 13.173 1.00 63.31 H new ATOM 0 HA ILE A 15 -2.015 -19.783 12.993 1.00 54.40 H new ATOM 0 HB ILE A 15 -2.892 -22.113 11.241 1.00 1.14 H new ATOM 0 HG12 ILE A 15 -2.799 -22.640 13.616 1.00 2.33 H new ATOM 0 HG13 ILE A 15 -1.493 -23.440 12.764 1.00 2.33 H new ATOM 0 HG21 ILE A 15 -0.502 -22.419 10.729 1.00 63.43 H new ATOM 0 HG22 ILE A 15 -1.110 -20.860 10.123 1.00 63.43 H new ATOM 0 HG23 ILE A 15 -0.125 -20.917 11.605 1.00 63.43 H new ATOM 0 HD11 ILE A 15 -0.713 -22.510 14.889 1.00 33.25 H new ATOM 0 HD12 ILE A 15 0.086 -21.698 13.522 1.00 33.25 H new ATOM 0 HD13 ILE A 15 -1.240 -20.886 14.387 1.00 33.25 H new ATOM 234 N ARG A 16 -3.760 -19.619 10.178 1.00 35.45 N ATOM 235 CA ARG A 16 -3.956 -18.840 8.962 1.00 13.32 C ATOM 236 C ARG A 16 -4.626 -17.505 9.274 1.00 14.22 C ATOM 237 O ARG A 16 -4.492 -16.541 8.521 1.00 40.33 O ATOM 238 CB ARG A 16 -4.802 -19.625 7.958 1.00 15.13 C ATOM 239 CG ARG A 16 -6.288 -19.312 8.037 1.00 3.12 C ATOM 240 CD ARG A 16 -7.129 -20.464 7.510 1.00 24.12 C ATOM 241 NE ARG A 16 -7.810 -20.120 6.265 1.00 3.20 N ATOM 242 CZ ARG A 16 -8.792 -20.844 5.740 1.00 13.44 C ATOM 243 NH1 ARG A 16 -9.207 -21.945 6.350 1.00 21.52 N ATOM 244 NH2 ARG A 16 -9.363 -20.465 4.604 1.00 63.23 N ATOM 0 H ARG A 16 -4.425 -20.382 10.301 1.00 35.45 H new ATOM 0 HA ARG A 16 -2.977 -18.643 8.525 1.00 13.32 H new ATOM 0 HB2 ARG A 16 -4.447 -19.410 6.950 1.00 15.13 H new ATOM 0 HB3 ARG A 16 -4.655 -20.692 8.127 1.00 15.13 H new ATOM 0 HG2 ARG A 16 -6.562 -19.103 9.071 1.00 3.12 H new ATOM 0 HG3 ARG A 16 -6.502 -18.411 7.462 1.00 3.12 H new ATOM 0 HD2 ARG A 16 -6.492 -21.333 7.346 1.00 24.12 H new ATOM 0 HD3 ARG A 16 -7.867 -20.747 8.261 1.00 24.12 H new ATOM 0 HE ARG A 16 -7.515 -19.277 5.771 1.00 3.20 H new ATOM 0 HH11 ARG A 16 -8.772 -22.238 7.225 1.00 21.52 H new ATOM 0 HH12 ARG A 16 -9.961 -22.499 5.945 1.00 21.52 H new ATOM 0 HH21 ARG A 16 -9.048 -19.617 4.133 1.00 63.23 H new ATOM 0 HH22 ARG A 16 -10.117 -21.022 4.202 1.00 63.23 H new ATOM 258 N TRP A 17 -5.348 -17.457 10.388 1.00 23.22 N ATOM 259 CA TRP A 17 -6.039 -16.241 10.799 1.00 13.43 C ATOM 260 C TRP A 17 -5.044 -15.154 11.191 1.00 63.24 C ATOM 261 O TRP A 17 -4.912 -14.142 10.502 1.00 64.30 O ATOM 262 CB TRP A 17 -6.979 -16.534 11.970 1.00 22.31 C ATOM 263 CG TRP A 17 -7.586 -15.301 12.568 1.00 23.54 C ATOM 264 CD1 TRP A 17 -8.672 -14.616 12.106 1.00 53.51 C ATOM 265 CD2 TRP A 17 -7.139 -14.608 13.739 1.00 51.24 C ATOM 266 NE1 TRP A 17 -8.928 -13.537 12.918 1.00 31.11 N ATOM 267 CE2 TRP A 17 -8.002 -13.511 13.927 1.00 13.33 C ATOM 268 CE3 TRP A 17 -6.096 -14.808 14.646 1.00 3.34 C ATOM 269 CZ2 TRP A 17 -7.851 -12.619 14.985 1.00 12.55 C ATOM 270 CZ3 TRP A 17 -5.947 -13.921 15.696 1.00 61.11 C ATOM 271 CH2 TRP A 17 -6.821 -12.838 15.859 1.00 30.20 C ATOM 0 H TRP A 17 -5.470 -18.246 11.022 1.00 23.22 H new ATOM 0 HA TRP A 17 -6.625 -15.883 9.952 1.00 13.43 H new ATOM 0 HB2 TRP A 17 -7.777 -17.194 11.630 1.00 22.31 H new ATOM 0 HB3 TRP A 17 -6.429 -17.071 12.743 1.00 22.31 H new ATOM 0 HD1 TRP A 17 -9.246 -14.883 11.231 1.00 53.51 H new ATOM 0 HE1 TRP A 17 -9.685 -12.865 12.790 1.00 31.11 H new ATOM 0 HE3 TRP A 17 -5.418 -15.641 14.529 1.00 3.34 H new ATOM 0 HZ2 TRP A 17 -8.523 -11.783 15.112 1.00 12.55 H new ATOM 0 HZ3 TRP A 17 -5.143 -14.065 16.403 1.00 61.11 H new ATOM 0 HH2 TRP A 17 -6.679 -12.163 16.690 1.00 30.20 H new ATOM 282 N VAL A 18 -4.344 -15.370 12.300 1.00 34.14 N ATOM 283 CA VAL A 18 -3.359 -14.409 12.782 1.00 33.32 C ATOM 284 C VAL A 18 -2.406 -13.994 11.667 1.00 10.45 C ATOM 285 O VAL A 18 -2.075 -12.816 11.525 1.00 12.44 O ATOM 286 CB VAL A 18 -2.542 -14.984 13.954 1.00 3.23 C ATOM 287 CG1 VAL A 18 -2.372 -16.488 13.801 1.00 50.52 C ATOM 288 CG2 VAL A 18 -1.189 -14.293 14.049 1.00 35.31 C ATOM 0 H VAL A 18 -4.441 -16.202 12.882 1.00 34.14 H new ATOM 0 HA VAL A 18 -3.911 -13.535 13.128 1.00 33.32 H new ATOM 0 HB VAL A 18 -3.086 -14.797 14.880 1.00 3.23 H new ATOM 0 HG11 VAL A 18 -1.792 -16.876 14.639 1.00 50.52 H new ATOM 0 HG12 VAL A 18 -3.352 -16.965 13.786 1.00 50.52 H new ATOM 0 HG13 VAL A 18 -1.850 -16.702 12.868 1.00 50.52 H new ATOM 0 HG21 VAL A 18 -0.625 -14.711 14.882 1.00 35.31 H new ATOM 0 HG22 VAL A 18 -0.636 -14.447 13.122 1.00 35.31 H new ATOM 0 HG23 VAL A 18 -1.336 -13.225 14.210 1.00 35.31 H new ATOM 298 N LEU A 19 -1.968 -14.968 10.878 1.00 45.31 N ATOM 299 CA LEU A 19 -1.052 -14.704 9.774 1.00 44.34 C ATOM 300 C LEU A 19 -1.675 -13.741 8.768 1.00 63.34 C ATOM 301 O LEU A 19 -0.968 -13.004 8.080 1.00 35.35 O ATOM 302 CB LEU A 19 -0.671 -16.011 9.077 1.00 23.32 C ATOM 303 CG LEU A 19 0.373 -16.872 9.790 1.00 43.24 C ATOM 304 CD1 LEU A 19 0.368 -18.287 9.234 1.00 72.33 C ATOM 305 CD2 LEU A 19 1.756 -16.251 9.658 1.00 2.41 C ATOM 0 H LEU A 19 -2.232 -15.948 10.982 1.00 45.31 H new ATOM 0 HA LEU A 19 -0.153 -14.242 10.183 1.00 44.34 H new ATOM 0 HB2 LEU A 19 -1.575 -16.606 8.945 1.00 23.32 H new ATOM 0 HB3 LEU A 19 -0.298 -15.773 8.081 1.00 23.32 H new ATOM 0 HG LEU A 19 0.116 -16.918 10.848 1.00 43.24 H new ATOM 0 HD11 LEU A 19 1.117 -18.885 9.753 1.00 72.33 H new ATOM 0 HD12 LEU A 19 -0.616 -18.732 9.380 1.00 72.33 H new ATOM 0 HD13 LEU A 19 0.600 -18.260 8.169 1.00 72.33 H new ATOM 0 HD21 LEU A 19 2.486 -16.877 10.171 1.00 2.41 H new ATOM 0 HD22 LEU A 19 2.021 -16.174 8.604 1.00 2.41 H new ATOM 0 HD23 LEU A 19 1.753 -15.257 10.105 1.00 2.41 H new ATOM 317 N GLU A 20 -3.002 -13.753 8.689 1.00 43.22 N ATOM 318 CA GLU A 20 -3.719 -12.879 7.768 1.00 72.55 C ATOM 319 C GLU A 20 -3.873 -11.479 8.354 1.00 45.25 C ATOM 320 O GLU A 20 -3.567 -10.483 7.697 1.00 35.11 O ATOM 321 CB GLU A 20 -5.097 -13.463 7.445 1.00 45.21 C ATOM 322 CG GLU A 20 -5.509 -13.284 5.993 1.00 3.45 C ATOM 323 CD GLU A 20 -5.760 -11.832 5.633 1.00 24.22 C ATOM 324 OE1 GLU A 20 -4.779 -11.116 5.342 1.00 1.34 O ATOM 325 OE2 GLU A 20 -6.936 -11.413 5.642 1.00 3.23 O ATOM 0 H GLU A 20 -3.601 -14.357 9.251 1.00 43.22 H new ATOM 0 HA GLU A 20 -3.137 -12.807 6.849 1.00 72.55 H new ATOM 0 HB2 GLU A 20 -5.097 -14.526 7.685 1.00 45.21 H new ATOM 0 HB3 GLU A 20 -5.842 -12.991 8.086 1.00 45.21 H new ATOM 0 HG2 GLU A 20 -4.729 -13.685 5.346 1.00 3.45 H new ATOM 0 HG3 GLU A 20 -6.412 -13.863 5.801 1.00 3.45 H new ATOM 332 N ARG A 21 -4.348 -11.411 9.593 1.00 62.12 N ATOM 333 CA ARG A 21 -4.544 -10.133 10.267 1.00 24.52 C ATOM 334 C ARG A 21 -3.261 -9.307 10.249 1.00 30.03 C ATOM 335 O ARG A 21 -3.303 -8.078 10.278 1.00 3.51 O ATOM 336 CB ARG A 21 -4.998 -10.359 11.711 1.00 43.24 C ATOM 337 CG ARG A 21 -6.107 -11.389 11.846 1.00 10.03 C ATOM 338 CD ARG A 21 -7.225 -11.138 10.847 1.00 72.43 C ATOM 339 NE ARG A 21 -7.619 -9.733 10.807 1.00 51.31 N ATOM 340 CZ ARG A 21 -8.273 -9.181 9.790 1.00 24.05 C ATOM 341 NH1 ARG A 21 -8.604 -9.913 8.736 1.00 52.12 N ATOM 342 NH2 ARG A 21 -8.596 -7.895 9.828 1.00 13.30 N ATOM 0 H ARG A 21 -4.604 -12.226 10.151 1.00 62.12 H new ATOM 0 HA ARG A 21 -5.318 -9.582 9.732 1.00 24.52 H new ATOM 0 HB2 ARG A 21 -4.143 -10.678 12.306 1.00 43.24 H new ATOM 0 HB3 ARG A 21 -5.341 -9.412 12.128 1.00 43.24 H new ATOM 0 HG2 ARG A 21 -5.698 -12.388 11.693 1.00 10.03 H new ATOM 0 HG3 ARG A 21 -6.509 -11.361 12.859 1.00 10.03 H new ATOM 0 HD2 ARG A 21 -6.901 -11.452 9.855 1.00 72.43 H new ATOM 0 HD3 ARG A 21 -8.089 -11.749 11.109 1.00 72.43 H new ATOM 0 HE ARG A 21 -7.379 -9.142 11.603 1.00 51.31 H new ATOM 0 HH11 ARG A 21 -8.357 -10.902 8.704 1.00 52.12 H new ATOM 0 HH12 ARG A 21 -9.106 -9.487 7.957 1.00 52.12 H new ATOM 0 HH21 ARG A 21 -8.342 -7.329 10.638 1.00 13.30 H new ATOM 0 HH22 ARG A 21 -9.098 -7.472 9.047 1.00 13.30 H new ATOM 356 N ALA A 22 -2.123 -9.992 10.202 1.00 2.51 N ATOM 357 CA ALA A 22 -0.829 -9.321 10.179 1.00 63.21 C ATOM 358 C ALA A 22 -0.780 -8.260 9.085 1.00 64.01 C ATOM 359 O ALA A 22 -0.579 -7.077 9.362 1.00 44.31 O ATOM 360 CB ALA A 22 0.288 -10.336 9.983 1.00 11.00 C ATOM 0 H ALA A 22 -2.071 -11.010 10.179 1.00 2.51 H new ATOM 0 HA ALA A 22 -0.689 -8.823 11.138 1.00 63.21 H new ATOM 0 HB1 ALA A 22 1.249 -9.821 9.968 1.00 11.00 H new ATOM 0 HB2 ALA A 22 0.274 -11.055 10.802 1.00 11.00 H new ATOM 0 HB3 ALA A 22 0.142 -10.860 9.038 1.00 11.00 H new ATOM 366 N LEU A 23 -0.964 -8.690 7.842 1.00 64.15 N ATOM 367 CA LEU A 23 -0.940 -7.776 6.705 1.00 63.45 C ATOM 368 C LEU A 23 -2.301 -7.117 6.507 1.00 60.10 C ATOM 369 O LEU A 23 -2.389 -5.969 6.072 1.00 65.43 O ATOM 370 CB LEU A 23 -0.533 -8.523 5.433 1.00 21.52 C ATOM 371 CG LEU A 23 0.527 -9.612 5.605 1.00 43.15 C ATOM 372 CD1 LEU A 23 0.997 -10.118 4.249 1.00 12.24 C ATOM 373 CD2 LEU A 23 1.703 -9.088 6.417 1.00 72.32 C ATOM 0 H LEU A 23 -1.131 -9.665 7.595 1.00 64.15 H new ATOM 0 HA LEU A 23 -0.206 -6.997 6.912 1.00 63.45 H new ATOM 0 HB2 LEU A 23 -1.425 -8.977 5.001 1.00 21.52 H new ATOM 0 HB3 LEU A 23 -0.164 -7.795 4.710 1.00 21.52 H new ATOM 0 HG LEU A 23 0.080 -10.446 6.146 1.00 43.15 H new ATOM 0 HD11 LEU A 23 1.751 -10.892 4.391 1.00 12.24 H new ATOM 0 HD12 LEU A 23 0.150 -10.532 3.702 1.00 12.24 H new ATOM 0 HD13 LEU A 23 1.427 -9.293 3.682 1.00 12.24 H new ATOM 0 HD21 LEU A 23 2.447 -9.876 6.529 1.00 72.32 H new ATOM 0 HD22 LEU A 23 2.150 -8.237 5.903 1.00 72.32 H new ATOM 0 HD23 LEU A 23 1.355 -8.775 7.401 1.00 72.32 H new ATOM 385 N ALA A 24 -3.361 -7.850 6.832 1.00 24.51 N ATOM 386 CA ALA A 24 -4.717 -7.336 6.694 1.00 13.45 C ATOM 387 C ALA A 24 -4.856 -5.970 7.358 1.00 11.25 C ATOM 388 O ALA A 24 -5.431 -5.046 6.785 1.00 2.50 O ATOM 389 CB ALA A 24 -5.717 -8.317 7.288 1.00 70.11 C ATOM 0 H ALA A 24 -3.306 -8.802 7.193 1.00 24.51 H new ATOM 0 HA ALA A 24 -4.928 -7.218 5.631 1.00 13.45 H new ATOM 0 HB1 ALA A 24 -6.726 -7.920 7.178 1.00 70.11 H new ATOM 0 HB2 ALA A 24 -5.644 -9.271 6.767 1.00 70.11 H new ATOM 0 HB3 ALA A 24 -5.498 -8.464 8.346 1.00 70.11 H new ATOM 395 N GLY A 25 -4.326 -5.850 8.572 1.00 31.11 N ATOM 396 CA GLY A 25 -4.403 -4.594 9.294 1.00 4.33 C ATOM 397 C GLY A 25 -3.258 -3.659 8.955 1.00 75.14 C ATOM 398 O GLY A 25 -3.185 -2.544 9.470 1.00 30.23 O ATOM 0 H GLY A 25 -3.845 -6.600 9.068 1.00 31.11 H new ATOM 0 HA2 GLY A 25 -5.349 -4.104 9.064 1.00 4.33 H new ATOM 0 HA3 GLY A 25 -4.400 -4.794 10.366 1.00 4.33 H new ATOM 402 N ALA A 26 -2.362 -4.115 8.086 1.00 53.15 N ATOM 403 CA ALA A 26 -1.216 -3.312 7.678 1.00 55.54 C ATOM 404 C ALA A 26 -1.441 -2.693 6.302 1.00 73.42 C ATOM 405 O ALA A 26 -1.748 -1.508 6.186 1.00 53.31 O ATOM 406 CB ALA A 26 0.048 -4.157 7.678 1.00 22.40 C ATOM 0 H ALA A 26 -2.408 -5.036 7.651 1.00 53.15 H new ATOM 0 HA ALA A 26 -1.098 -2.502 8.397 1.00 55.54 H new ATOM 0 HB1 ALA A 26 0.895 -3.544 7.371 1.00 22.40 H new ATOM 0 HB2 ALA A 26 0.226 -4.546 8.681 1.00 22.40 H new ATOM 0 HB3 ALA A 26 -0.070 -4.988 6.982 1.00 22.40 H new ATOM 412 N GLY A 27 -1.285 -3.505 5.260 1.00 35.45 N ATOM 413 CA GLY A 27 -1.475 -3.020 3.906 1.00 4.51 C ATOM 414 C GLY A 27 -0.795 -3.898 2.875 1.00 74.53 C ATOM 415 O GLY A 27 -0.223 -3.401 1.904 1.00 54.11 O ATOM 0 H GLY A 27 -1.030 -4.490 5.330 1.00 35.45 H new ATOM 0 HA2 GLY A 27 -2.542 -2.969 3.688 1.00 4.51 H new ATOM 0 HA3 GLY A 27 -1.085 -2.005 3.829 1.00 4.51 H new ATOM 419 N LEU A 28 -0.856 -5.209 3.085 1.00 41.25 N ATOM 420 CA LEU A 28 -0.240 -6.160 2.166 1.00 52.03 C ATOM 421 C LEU A 28 -1.153 -7.359 1.930 1.00 15.31 C ATOM 422 O LEU A 28 -1.757 -7.887 2.865 1.00 53.15 O ATOM 423 CB LEU A 28 1.107 -6.631 2.716 1.00 62.24 C ATOM 424 CG LEU A 28 1.711 -5.780 3.833 1.00 12.12 C ATOM 425 CD1 LEU A 28 2.831 -6.534 4.533 1.00 33.11 C ATOM 426 CD2 LEU A 28 2.221 -4.457 3.280 1.00 35.11 C ATOM 0 H LEU A 28 -1.325 -5.637 3.883 1.00 41.25 H new ATOM 0 HA LEU A 28 -0.080 -5.655 1.213 1.00 52.03 H new ATOM 0 HB2 LEU A 28 0.990 -7.650 3.086 1.00 62.24 H new ATOM 0 HB3 LEU A 28 1.819 -6.671 1.892 1.00 62.24 H new ATOM 0 HG LEU A 28 0.931 -5.569 4.564 1.00 12.12 H new ATOM 0 HD11 LEU A 28 3.249 -5.912 5.325 1.00 33.11 H new ATOM 0 HD12 LEU A 28 2.436 -7.454 4.964 1.00 33.11 H new ATOM 0 HD13 LEU A 28 3.612 -6.777 3.812 1.00 33.11 H new ATOM 0 HD21 LEU A 28 2.647 -3.865 4.089 1.00 35.11 H new ATOM 0 HD22 LEU A 28 2.986 -4.648 2.528 1.00 35.11 H new ATOM 0 HD23 LEU A 28 1.395 -3.910 2.826 1.00 35.11 H new ATOM 438 N THR A 29 -1.249 -7.786 0.675 1.00 40.13 N ATOM 439 CA THR A 29 -2.087 -8.923 0.316 1.00 52.11 C ATOM 440 C THR A 29 -1.711 -10.160 1.123 1.00 3.01 C ATOM 441 O THR A 29 -0.586 -10.275 1.612 1.00 71.32 O ATOM 442 CB THR A 29 -1.977 -9.250 -1.185 1.00 73.32 C ATOM 443 OG1 THR A 29 -2.045 -8.045 -1.956 1.00 22.23 O ATOM 444 CG2 THR A 29 -3.088 -10.196 -1.616 1.00 32.25 C ATOM 0 H THR A 29 -0.756 -7.361 -0.110 1.00 40.13 H new ATOM 0 HA THR A 29 -3.115 -8.642 0.545 1.00 52.11 H new ATOM 0 HB THR A 29 -1.018 -9.738 -1.358 1.00 73.32 H new ATOM 0 HG1 THR A 29 -1.973 -8.262 -2.909 1.00 22.23 H new ATOM 0 HG21 THR A 29 -2.989 -10.412 -2.680 1.00 32.25 H new ATOM 0 HG22 THR A 29 -3.016 -11.124 -1.049 1.00 32.25 H new ATOM 0 HG23 THR A 29 -4.056 -9.730 -1.429 1.00 32.25 H new ATOM 452 N CYS A 30 -2.657 -11.082 1.259 1.00 62.43 N ATOM 453 CA CYS A 30 -2.424 -12.312 2.008 1.00 63.34 C ATOM 454 C CYS A 30 -3.253 -13.460 1.440 1.00 11.33 C ATOM 455 O CYS A 30 -4.463 -13.331 1.249 1.00 21.20 O ATOM 456 CB CYS A 30 -2.760 -12.106 3.485 1.00 11.21 C ATOM 457 SG CYS A 30 -1.511 -12.749 4.623 1.00 0.34 S ATOM 0 H CYS A 30 -3.593 -11.002 0.861 1.00 62.43 H new ATOM 0 HA CYS A 30 -1.369 -12.570 1.916 1.00 63.34 H new ATOM 0 HB2 CYS A 30 -2.891 -11.040 3.671 1.00 11.21 H new ATOM 0 HB3 CYS A 30 -3.714 -12.587 3.700 1.00 11.21 H new ATOM 0 HG CYS A 30 -0.515 -13.236 3.944 1.00 0.34 H new ATOM 463 N THR A 31 -2.594 -14.583 1.171 1.00 53.42 N ATOM 464 CA THR A 31 -3.269 -15.752 0.623 1.00 74.15 C ATOM 465 C THR A 31 -3.074 -16.970 1.518 1.00 0.02 C ATOM 466 O THR A 31 -1.953 -17.446 1.702 1.00 10.30 O ATOM 467 CB THR A 31 -2.760 -16.083 -0.793 1.00 4.21 C ATOM 468 OG1 THR A 31 -2.666 -14.885 -1.572 1.00 63.11 O ATOM 469 CG2 THR A 31 -3.686 -17.072 -1.484 1.00 64.31 C ATOM 0 H THR A 31 -1.593 -14.707 1.324 1.00 53.42 H new ATOM 0 HA THR A 31 -4.330 -15.508 0.572 1.00 74.15 H new ATOM 0 HB THR A 31 -1.773 -16.536 -0.703 1.00 4.21 H new ATOM 0 HG1 THR A 31 -1.741 -14.562 -1.565 1.00 63.11 H new ATOM 0 HG21 THR A 31 -3.306 -17.290 -2.482 1.00 64.31 H new ATOM 0 HG22 THR A 31 -3.732 -17.994 -0.904 1.00 64.31 H new ATOM 0 HG23 THR A 31 -4.685 -16.642 -1.562 1.00 64.31 H new ATOM 477 N THR A 32 -4.172 -17.472 2.074 1.00 32.42 N ATOM 478 CA THR A 32 -4.121 -18.635 2.951 1.00 34.23 C ATOM 479 C THR A 32 -4.557 -19.898 2.217 1.00 54.44 C ATOM 480 O THR A 32 -5.616 -19.928 1.589 1.00 60.33 O ATOM 481 CB THR A 32 -5.014 -18.443 4.192 1.00 53.43 C ATOM 482 OG1 THR A 32 -6.390 -18.372 3.799 1.00 25.12 O ATOM 483 CG2 THR A 32 -4.631 -17.177 4.943 1.00 4.13 C ATOM 0 H THR A 32 -5.108 -17.091 1.932 1.00 32.42 H new ATOM 0 HA THR A 32 -3.085 -18.743 3.271 1.00 34.23 H new ATOM 0 HB THR A 32 -4.868 -19.297 4.853 1.00 53.43 H new ATOM 0 HG1 THR A 32 -6.502 -18.794 2.922 1.00 25.12 H new ATOM 0 HG21 THR A 32 -5.275 -17.062 5.815 1.00 4.13 H new ATOM 0 HG22 THR A 32 -3.592 -17.245 5.265 1.00 4.13 H new ATOM 0 HG23 THR A 32 -4.751 -16.315 4.287 1.00 4.13 H new ATOM 491 N PHE A 33 -3.735 -20.938 2.299 1.00 33.53 N ATOM 492 CA PHE A 33 -4.036 -22.205 1.641 1.00 14.44 C ATOM 493 C PHE A 33 -4.240 -23.316 2.667 1.00 14.43 C ATOM 494 O PHE A 33 -4.335 -23.057 3.866 1.00 12.35 O ATOM 495 CB PHE A 33 -2.909 -22.584 0.679 1.00 31.40 C ATOM 496 CG PHE A 33 -2.714 -21.597 -0.436 1.00 12.44 C ATOM 497 CD1 PHE A 33 -3.501 -21.654 -1.575 1.00 1.52 C ATOM 498 CD2 PHE A 33 -1.745 -20.611 -0.344 1.00 42.00 C ATOM 499 CE1 PHE A 33 -3.323 -20.746 -2.602 1.00 71.41 C ATOM 500 CE2 PHE A 33 -1.563 -19.701 -1.368 1.00 44.31 C ATOM 501 CZ PHE A 33 -2.354 -19.768 -2.498 1.00 44.02 C ATOM 0 H PHE A 33 -2.855 -20.929 2.814 1.00 33.53 H new ATOM 0 HA PHE A 33 -4.960 -22.082 1.077 1.00 14.44 H new ATOM 0 HB2 PHE A 33 -1.979 -22.675 1.240 1.00 31.40 H new ATOM 0 HB3 PHE A 33 -3.121 -23.564 0.252 1.00 31.40 H new ATOM 0 HD1 PHE A 33 -4.262 -22.416 -1.661 1.00 1.52 H new ATOM 0 HD2 PHE A 33 -1.125 -20.553 0.538 1.00 42.00 H new ATOM 0 HE1 PHE A 33 -3.942 -20.802 -3.485 1.00 71.41 H new ATOM 0 HE2 PHE A 33 -0.803 -18.938 -1.285 1.00 44.31 H new ATOM 0 HZ PHE A 33 -2.215 -19.057 -3.299 1.00 44.02 H new ATOM 511 N GLU A 34 -4.307 -24.553 2.186 1.00 55.24 N ATOM 512 CA GLU A 34 -4.502 -25.703 3.061 1.00 42.05 C ATOM 513 C GLU A 34 -4.056 -26.991 2.373 1.00 12.35 C ATOM 514 O GLU A 34 -4.861 -27.890 2.136 1.00 21.44 O ATOM 515 CB GLU A 34 -5.971 -25.815 3.474 1.00 4.33 C ATOM 516 CG GLU A 34 -6.943 -25.642 2.320 1.00 51.23 C ATOM 517 CD GLU A 34 -7.533 -24.246 2.258 1.00 70.32 C ATOM 518 OE1 GLU A 34 -7.880 -23.702 3.327 1.00 42.51 O ATOM 519 OE2 GLU A 34 -7.648 -23.699 1.141 1.00 32.24 O ATOM 0 H GLU A 34 -4.229 -24.785 1.196 1.00 55.24 H new ATOM 0 HA GLU A 34 -3.892 -25.557 3.952 1.00 42.05 H new ATOM 0 HB2 GLU A 34 -6.137 -26.789 3.935 1.00 4.33 H new ATOM 0 HB3 GLU A 34 -6.184 -25.063 4.233 1.00 4.33 H new ATOM 0 HG2 GLU A 34 -6.430 -25.858 1.383 1.00 51.23 H new ATOM 0 HG3 GLU A 34 -7.749 -26.369 2.417 1.00 51.23 H new ATOM 526 N ASN A 35 -2.768 -27.070 2.056 1.00 10.20 N ATOM 527 CA ASN A 35 -2.215 -28.246 1.395 1.00 24.20 C ATOM 528 C ASN A 35 -0.720 -28.075 1.141 1.00 10.21 C ATOM 529 O ASN A 35 0.109 -28.674 1.825 1.00 42.25 O ATOM 530 CB ASN A 35 -2.942 -28.504 0.074 1.00 44.34 C ATOM 531 CG ASN A 35 -3.810 -29.746 0.124 1.00 13.32 C ATOM 532 OD1 ASN A 35 -4.177 -30.217 1.201 1.00 52.32 O ATOM 533 ND2 ASN A 35 -4.143 -30.283 -1.044 1.00 12.41 N ATOM 0 H ASN A 35 -2.088 -26.334 2.246 1.00 10.20 H new ATOM 0 HA ASN A 35 -2.358 -29.103 2.054 1.00 24.20 H new ATOM 0 HB2 ASN A 35 -3.561 -27.641 -0.171 1.00 44.34 H new ATOM 0 HB3 ASN A 35 -2.209 -28.608 -0.726 1.00 44.34 H new ATOM 0 HD21 ASN A 35 -4.726 -31.120 -1.073 1.00 12.41 H new ATOM 0 HD22 ASN A 35 -3.816 -29.859 -1.912 1.00 12.41 H new ATOM 540 N GLY A 36 -0.384 -27.251 0.153 1.00 64.33 N ATOM 541 CA GLY A 36 1.010 -27.015 -0.174 1.00 25.10 C ATOM 542 C GLY A 36 1.270 -27.048 -1.667 1.00 73.21 C ATOM 543 O GLY A 36 1.700 -26.055 -2.251 1.00 54.42 O ATOM 0 H GLY A 36 -1.052 -26.743 -0.427 1.00 64.33 H new ATOM 0 HA2 GLY A 36 1.314 -26.046 0.223 1.00 25.10 H new ATOM 0 HA3 GLY A 36 1.627 -27.768 0.316 1.00 25.10 H new ATOM 547 N ASN A 37 1.009 -28.195 -2.286 1.00 62.11 N ATOM 548 CA ASN A 37 1.219 -28.354 -3.720 1.00 63.45 C ATOM 549 C ASN A 37 0.429 -27.312 -4.505 1.00 41.51 C ATOM 550 O ASN A 37 0.846 -26.883 -5.581 1.00 22.24 O ATOM 551 CB ASN A 37 0.810 -29.760 -4.164 1.00 21.41 C ATOM 552 CG ASN A 37 -0.694 -29.915 -4.281 1.00 20.03 C ATOM 553 OD1 ASN A 37 -1.440 -29.539 -3.376 1.00 61.42 O ATOM 554 ND2 ASN A 37 -1.146 -30.471 -5.399 1.00 13.23 N ATOM 0 H ASN A 37 0.652 -29.027 -1.817 1.00 62.11 H new ATOM 0 HA ASN A 37 2.280 -28.209 -3.924 1.00 63.45 H new ATOM 0 HB2 ASN A 37 1.271 -29.983 -5.126 1.00 21.41 H new ATOM 0 HB3 ASN A 37 1.193 -30.489 -3.450 1.00 21.41 H new ATOM 0 HD21 ASN A 37 -2.148 -30.602 -5.535 1.00 13.23 H new ATOM 0 HD22 ASN A 37 -0.491 -30.768 -6.122 1.00 13.23 H new ATOM 561 N GLU A 38 -0.713 -26.908 -3.958 1.00 53.42 N ATOM 562 CA GLU A 38 -1.561 -25.915 -4.608 1.00 34.14 C ATOM 563 C GLU A 38 -0.940 -24.524 -4.515 1.00 70.43 C ATOM 564 O GLU A 38 -1.337 -23.606 -5.232 1.00 53.31 O ATOM 565 CB GLU A 38 -2.953 -25.907 -3.972 1.00 53.02 C ATOM 566 CG GLU A 38 -2.931 -25.770 -2.459 1.00 62.40 C ATOM 567 CD GLU A 38 -4.269 -25.338 -1.892 1.00 51.13 C ATOM 568 OE1 GLU A 38 -5.146 -24.936 -2.685 1.00 53.33 O ATOM 569 OE2 GLU A 38 -4.439 -25.401 -0.657 1.00 34.10 O ATOM 0 H GLU A 38 -1.072 -27.252 -3.068 1.00 53.42 H new ATOM 0 HA GLU A 38 -1.651 -26.184 -5.660 1.00 34.14 H new ATOM 0 HB2 GLU A 38 -3.531 -25.085 -4.394 1.00 53.02 H new ATOM 0 HB3 GLU A 38 -3.470 -26.829 -4.237 1.00 53.02 H new ATOM 0 HG2 GLU A 38 -2.644 -26.724 -2.016 1.00 62.40 H new ATOM 0 HG3 GLU A 38 -2.169 -25.044 -2.175 1.00 62.40 H new ATOM 576 N VAL A 39 0.038 -24.377 -3.627 1.00 35.24 N ATOM 577 CA VAL A 39 0.715 -23.100 -3.440 1.00 10.23 C ATOM 578 C VAL A 39 1.906 -22.966 -4.382 1.00 22.53 C ATOM 579 O VAL A 39 2.159 -21.894 -4.933 1.00 21.31 O ATOM 580 CB VAL A 39 1.201 -22.929 -1.988 1.00 72.11 C ATOM 581 CG1 VAL A 39 1.558 -21.477 -1.712 1.00 10.34 C ATOM 582 CG2 VAL A 39 0.144 -23.422 -1.012 1.00 13.05 C ATOM 0 H VAL A 39 0.379 -25.127 -3.026 1.00 35.24 H new ATOM 0 HA VAL A 39 -0.013 -22.320 -3.666 1.00 10.23 H new ATOM 0 HB VAL A 39 2.099 -23.531 -1.850 1.00 72.11 H new ATOM 0 HG11 VAL A 39 1.899 -21.376 -0.682 1.00 10.34 H new ATOM 0 HG12 VAL A 39 2.352 -21.162 -2.390 1.00 10.34 H new ATOM 0 HG13 VAL A 39 0.679 -20.851 -1.867 1.00 10.34 H new ATOM 0 HG21 VAL A 39 0.504 -23.294 0.009 1.00 13.05 H new ATOM 0 HG22 VAL A 39 -0.773 -22.849 -1.148 1.00 13.05 H new ATOM 0 HG23 VAL A 39 -0.057 -24.477 -1.196 1.00 13.05 H new ATOM 592 N LEU A 40 2.635 -24.062 -4.563 1.00 43.01 N ATOM 593 CA LEU A 40 3.801 -24.069 -5.440 1.00 2.41 C ATOM 594 C LEU A 40 3.456 -23.494 -6.810 1.00 14.12 C ATOM 595 O LEU A 40 4.221 -22.716 -7.379 1.00 20.14 O ATOM 596 CB LEU A 40 4.341 -25.492 -5.593 1.00 11.24 C ATOM 597 CG LEU A 40 5.013 -25.815 -6.927 1.00 62.04 C ATOM 598 CD1 LEU A 40 6.163 -24.856 -7.192 1.00 5.02 C ATOM 599 CD2 LEU A 40 5.503 -27.256 -6.943 1.00 2.43 C ATOM 0 H LEU A 40 2.439 -24.957 -4.114 1.00 43.01 H new ATOM 0 HA LEU A 40 4.569 -23.442 -4.986 1.00 2.41 H new ATOM 0 HB2 LEU A 40 5.059 -25.674 -4.794 1.00 11.24 H new ATOM 0 HB3 LEU A 40 3.517 -26.190 -5.446 1.00 11.24 H new ATOM 0 HG LEU A 40 4.276 -25.694 -7.721 1.00 62.04 H new ATOM 0 HD11 LEU A 40 6.629 -25.102 -8.146 1.00 5.02 H new ATOM 0 HD12 LEU A 40 5.784 -23.834 -7.225 1.00 5.02 H new ATOM 0 HD13 LEU A 40 6.901 -24.944 -6.395 1.00 5.02 H new ATOM 0 HD21 LEU A 40 5.979 -27.468 -7.901 1.00 2.43 H new ATOM 0 HD22 LEU A 40 6.224 -27.404 -6.139 1.00 2.43 H new ATOM 0 HD23 LEU A 40 4.658 -27.929 -6.801 1.00 2.43 H new ATOM 611 N ALA A 41 2.297 -23.881 -7.333 1.00 13.21 N ATOM 612 CA ALA A 41 1.848 -23.401 -8.634 1.00 14.32 C ATOM 613 C ALA A 41 1.376 -21.953 -8.552 1.00 1.11 C ATOM 614 O ALA A 41 1.447 -21.211 -9.531 1.00 51.20 O ATOM 615 CB ALA A 41 0.736 -24.290 -9.170 1.00 34.45 C ATOM 0 H ALA A 41 1.652 -24.526 -6.876 1.00 13.21 H new ATOM 0 HA ALA A 41 2.694 -23.442 -9.320 1.00 14.32 H new ATOM 0 HB1 ALA A 41 0.411 -23.919 -10.142 1.00 34.45 H new ATOM 0 HB2 ALA A 41 1.105 -25.310 -9.275 1.00 34.45 H new ATOM 0 HB3 ALA A 41 -0.105 -24.278 -8.477 1.00 34.45 H new ATOM 621 N ALA A 42 0.894 -21.558 -7.378 1.00 4.21 N ATOM 622 CA ALA A 42 0.412 -20.198 -7.168 1.00 64.34 C ATOM 623 C ALA A 42 1.517 -19.179 -7.426 1.00 13.44 C ATOM 624 O ALA A 42 1.263 -18.092 -7.947 1.00 2.45 O ATOM 625 CB ALA A 42 -0.133 -20.043 -5.757 1.00 31.45 C ATOM 0 H ALA A 42 0.827 -22.161 -6.558 1.00 4.21 H new ATOM 0 HA ALA A 42 -0.393 -20.010 -7.878 1.00 64.34 H new ATOM 0 HB1 ALA A 42 -0.489 -19.023 -5.615 1.00 31.45 H new ATOM 0 HB2 ALA A 42 -0.958 -20.740 -5.607 1.00 31.45 H new ATOM 0 HB3 ALA A 42 0.657 -20.255 -5.037 1.00 31.45 H new ATOM 631 N LEU A 43 2.742 -19.535 -7.057 1.00 61.10 N ATOM 632 CA LEU A 43 3.886 -18.650 -7.247 1.00 63.34 C ATOM 633 C LEU A 43 4.044 -18.273 -8.717 1.00 0.32 C ATOM 634 O LEU A 43 4.416 -17.146 -9.042 1.00 11.52 O ATOM 635 CB LEU A 43 5.165 -19.321 -6.741 1.00 55.03 C ATOM 636 CG LEU A 43 5.014 -20.202 -5.500 1.00 43.44 C ATOM 637 CD1 LEU A 43 6.379 -20.612 -4.969 1.00 33.13 C ATOM 638 CD2 LEU A 43 4.217 -19.477 -4.426 1.00 30.24 C ATOM 0 H LEU A 43 2.969 -20.430 -6.624 1.00 61.10 H new ATOM 0 HA LEU A 43 3.709 -17.740 -6.674 1.00 63.34 H new ATOM 0 HB2 LEU A 43 5.575 -19.930 -7.547 1.00 55.03 H new ATOM 0 HB3 LEU A 43 5.898 -18.544 -6.524 1.00 55.03 H new ATOM 0 HG LEU A 43 4.470 -21.104 -5.781 1.00 43.44 H new ATOM 0 HD11 LEU A 43 6.253 -21.238 -4.086 1.00 33.13 H new ATOM 0 HD12 LEU A 43 6.915 -21.170 -5.736 1.00 33.13 H new ATOM 0 HD13 LEU A 43 6.949 -19.721 -4.704 1.00 33.13 H new ATOM 0 HD21 LEU A 43 4.119 -20.118 -3.550 1.00 30.24 H new ATOM 0 HD22 LEU A 43 4.734 -18.559 -4.147 1.00 30.24 H new ATOM 0 HD23 LEU A 43 3.226 -19.234 -4.810 1.00 30.24 H new ATOM 650 N ALA A 44 3.757 -19.223 -9.601 1.00 13.33 N ATOM 651 CA ALA A 44 3.862 -18.988 -11.035 1.00 65.55 C ATOM 652 C ALA A 44 2.866 -17.929 -11.494 1.00 31.22 C ATOM 653 O ALA A 44 2.955 -17.422 -12.612 1.00 75.30 O ATOM 654 CB ALA A 44 3.645 -20.286 -11.799 1.00 61.15 C ATOM 0 H ALA A 44 3.450 -20.162 -9.349 1.00 13.33 H new ATOM 0 HA ALA A 44 4.866 -18.618 -11.244 1.00 65.55 H new ATOM 0 HB1 ALA A 44 3.726 -20.096 -12.869 1.00 61.15 H new ATOM 0 HB2 ALA A 44 4.400 -21.014 -11.501 1.00 61.15 H new ATOM 0 HB3 ALA A 44 2.653 -20.679 -11.574 1.00 61.15 H new ATOM 660 N SER A 45 1.917 -17.600 -10.623 1.00 2.30 N ATOM 661 CA SER A 45 0.901 -16.604 -10.941 1.00 13.55 C ATOM 662 C SER A 45 1.473 -15.193 -10.843 1.00 3.25 C ATOM 663 O SER A 45 1.684 -14.523 -11.854 1.00 70.52 O ATOM 664 CB SER A 45 -0.296 -16.747 -9.998 1.00 70.03 C ATOM 665 OG SER A 45 -0.789 -18.076 -9.998 1.00 43.34 O ATOM 0 H SER A 45 1.831 -18.009 -9.692 1.00 2.30 H new ATOM 0 HA SER A 45 0.571 -16.773 -11.966 1.00 13.55 H new ATOM 0 HB2 SER A 45 -0.002 -16.465 -8.987 1.00 70.03 H new ATOM 0 HB3 SER A 45 -1.087 -16.062 -10.303 1.00 70.03 H new ATOM 0 HG SER A 45 -0.217 -18.637 -9.434 1.00 43.34 H new ATOM 671 N LYS A 46 1.723 -14.746 -9.616 1.00 62.52 N ATOM 672 CA LYS A 46 2.273 -13.416 -9.383 1.00 34.22 C ATOM 673 C LYS A 46 3.570 -13.496 -8.585 1.00 2.30 C ATOM 674 O LYS A 46 4.300 -12.511 -8.466 1.00 11.21 O ATOM 675 CB LYS A 46 1.257 -12.546 -8.639 1.00 51.34 C ATOM 676 CG LYS A 46 0.768 -13.158 -7.338 1.00 42.01 C ATOM 677 CD LYS A 46 -0.609 -12.638 -6.960 1.00 25.13 C ATOM 678 CE LYS A 46 -0.551 -11.188 -6.505 1.00 50.31 C ATOM 679 NZ LYS A 46 -1.473 -10.323 -7.292 1.00 40.23 N ATOM 0 H LYS A 46 1.553 -15.286 -8.768 1.00 62.52 H new ATOM 0 HA LYS A 46 2.490 -12.964 -10.351 1.00 34.22 H new ATOM 0 HB2 LYS A 46 1.708 -11.576 -8.428 1.00 51.34 H new ATOM 0 HB3 LYS A 46 0.401 -12.365 -9.289 1.00 51.34 H new ATOM 0 HG2 LYS A 46 0.734 -14.243 -7.435 1.00 42.01 H new ATOM 0 HG3 LYS A 46 1.475 -12.932 -6.540 1.00 42.01 H new ATOM 0 HD2 LYS A 46 -1.280 -12.726 -7.815 1.00 25.13 H new ATOM 0 HD3 LYS A 46 -1.026 -13.254 -6.163 1.00 25.13 H new ATOM 0 HE2 LYS A 46 -0.810 -11.128 -5.448 1.00 50.31 H new ATOM 0 HE3 LYS A 46 0.469 -10.817 -6.604 1.00 50.31 H new ATOM 0 HZ1 LYS A 46 -1.404 -9.343 -6.952 1.00 40.23 H new ATOM 0 HZ2 LYS A 46 -1.210 -10.360 -8.298 1.00 40.23 H new ATOM 0 HZ3 LYS A 46 -2.450 -10.662 -7.177 1.00 40.23 H new ATOM 693 N THR A 47 3.854 -14.675 -8.040 1.00 54.04 N ATOM 694 CA THR A 47 5.063 -14.883 -7.254 1.00 42.05 C ATOM 695 C THR A 47 5.093 -13.965 -6.038 1.00 31.23 C ATOM 696 O THR A 47 5.325 -12.761 -6.144 1.00 41.21 O ATOM 697 CB THR A 47 6.329 -14.640 -8.097 1.00 65.53 C ATOM 698 OG1 THR A 47 5.978 -14.488 -9.477 1.00 12.40 O ATOM 699 CG2 THR A 47 7.311 -15.793 -7.944 1.00 12.35 C ATOM 0 H THR A 47 3.262 -15.501 -8.129 1.00 54.04 H new ATOM 0 HA THR A 47 5.049 -15.921 -6.922 1.00 42.05 H new ATOM 0 HB THR A 47 6.805 -13.727 -7.740 1.00 65.53 H new ATOM 0 HG1 THR A 47 6.788 -14.332 -10.005 1.00 12.40 H new ATOM 0 HG21 THR A 47 8.197 -15.599 -8.548 1.00 12.35 H new ATOM 0 HG22 THR A 47 7.600 -15.889 -6.897 1.00 12.35 H new ATOM 0 HG23 THR A 47 6.840 -16.718 -8.277 1.00 12.35 H new ATOM 707 N PRO A 48 4.853 -14.545 -4.852 1.00 42.12 N ATOM 708 CA PRO A 48 4.848 -13.797 -3.592 1.00 4.43 C ATOM 709 C PRO A 48 6.243 -13.327 -3.191 1.00 32.53 C ATOM 710 O PRO A 48 7.246 -13.819 -3.708 1.00 1.00 O ATOM 711 CB PRO A 48 4.314 -14.812 -2.578 1.00 51.05 C ATOM 712 CG PRO A 48 4.654 -16.141 -3.159 1.00 21.22 C ATOM 713 CD PRO A 48 4.569 -15.976 -4.651 1.00 10.31 C ATOM 0 HA PRO A 48 4.250 -12.888 -3.661 1.00 4.43 H new ATOM 0 HB2 PRO A 48 4.777 -14.677 -1.601 1.00 51.05 H new ATOM 0 HB3 PRO A 48 3.238 -14.704 -2.439 1.00 51.05 H new ATOM 0 HG2 PRO A 48 5.654 -16.454 -2.858 1.00 21.22 H new ATOM 0 HG3 PRO A 48 3.961 -16.907 -2.811 1.00 21.22 H new ATOM 0 HD2 PRO A 48 5.294 -16.606 -5.167 1.00 10.31 H new ATOM 0 HD3 PRO A 48 3.584 -16.247 -5.030 1.00 10.31 H new ATOM 721 N ASP A 49 6.298 -12.375 -2.267 1.00 3.15 N ATOM 722 CA ASP A 49 7.571 -11.840 -1.795 1.00 35.31 C ATOM 723 C ASP A 49 8.151 -12.716 -0.688 1.00 50.54 C ATOM 724 O ASP A 49 9.339 -12.633 -0.376 1.00 13.55 O ATOM 725 CB ASP A 49 7.390 -10.409 -1.288 1.00 0.40 C ATOM 726 CG ASP A 49 8.450 -9.467 -1.825 1.00 13.54 C ATOM 727 OD1 ASP A 49 9.596 -9.521 -1.332 1.00 14.43 O ATOM 728 OD2 ASP A 49 8.133 -8.674 -2.737 1.00 72.50 O ATOM 0 H ASP A 49 5.477 -11.957 -1.829 1.00 3.15 H new ATOM 0 HA ASP A 49 8.268 -11.835 -2.633 1.00 35.31 H new ATOM 0 HB2 ASP A 49 6.404 -10.046 -1.578 1.00 0.40 H new ATOM 0 HB3 ASP A 49 7.423 -10.406 -0.199 1.00 0.40 H new ATOM 733 N VAL A 50 7.305 -13.554 -0.098 1.00 54.25 N ATOM 734 CA VAL A 50 7.733 -14.444 0.973 1.00 21.53 C ATOM 735 C VAL A 50 6.564 -15.266 1.505 1.00 25.51 C ATOM 736 O VAL A 50 5.495 -14.729 1.796 1.00 31.44 O ATOM 737 CB VAL A 50 8.365 -13.658 2.137 1.00 23.53 C ATOM 738 CG1 VAL A 50 7.485 -12.481 2.528 1.00 75.44 C ATOM 739 CG2 VAL A 50 8.606 -14.573 3.329 1.00 71.22 C ATOM 0 H VAL A 50 6.318 -13.635 -0.344 1.00 54.25 H new ATOM 0 HA VAL A 50 8.481 -15.114 0.548 1.00 21.53 H new ATOM 0 HB VAL A 50 9.327 -13.267 1.807 1.00 23.53 H new ATOM 0 HG11 VAL A 50 7.948 -11.938 3.352 1.00 75.44 H new ATOM 0 HG12 VAL A 50 7.369 -11.814 1.674 1.00 75.44 H new ATOM 0 HG13 VAL A 50 6.506 -12.846 2.839 1.00 75.44 H new ATOM 0 HG21 VAL A 50 9.053 -14.001 4.142 1.00 71.22 H new ATOM 0 HG22 VAL A 50 7.658 -14.995 3.661 1.00 71.22 H new ATOM 0 HG23 VAL A 50 9.280 -15.379 3.039 1.00 71.22 H new ATOM 749 N LEU A 51 6.775 -16.572 1.630 1.00 62.11 N ATOM 750 CA LEU A 51 5.739 -17.470 2.128 1.00 60.22 C ATOM 751 C LEU A 51 5.917 -17.733 3.620 1.00 51.22 C ATOM 752 O LEU A 51 6.967 -17.437 4.192 1.00 33.14 O ATOM 753 CB LEU A 51 5.769 -18.792 1.359 1.00 43.05 C ATOM 754 CG LEU A 51 4.444 -19.241 0.743 1.00 53.34 C ATOM 755 CD1 LEU A 51 4.655 -19.730 -0.682 1.00 2.42 C ATOM 756 CD2 LEU A 51 3.802 -20.328 1.592 1.00 60.20 C ATOM 0 H LEU A 51 7.654 -17.032 1.393 1.00 62.11 H new ATOM 0 HA LEU A 51 4.773 -16.989 1.975 1.00 60.22 H new ATOM 0 HB2 LEU A 51 6.507 -18.709 0.562 1.00 43.05 H new ATOM 0 HB3 LEU A 51 6.116 -19.574 2.034 1.00 43.05 H new ATOM 0 HG LEU A 51 3.771 -18.384 0.715 1.00 53.34 H new ATOM 0 HD11 LEU A 51 3.701 -20.045 -1.104 1.00 2.42 H new ATOM 0 HD12 LEU A 51 5.070 -18.923 -1.286 1.00 2.42 H new ATOM 0 HD13 LEU A 51 5.346 -20.573 -0.679 1.00 2.42 H new ATOM 0 HD21 LEU A 51 2.860 -20.635 1.138 1.00 60.20 H new ATOM 0 HD22 LEU A 51 4.472 -21.186 1.653 1.00 60.20 H new ATOM 0 HD23 LEU A 51 3.613 -19.943 2.594 1.00 60.20 H new ATOM 768 N LEU A 52 4.886 -18.292 4.244 1.00 51.42 N ATOM 769 CA LEU A 52 4.929 -18.597 5.670 1.00 55.13 C ATOM 770 C LEU A 52 4.232 -19.922 5.964 1.00 42.31 C ATOM 771 O LEU A 52 3.120 -19.946 6.490 1.00 32.34 O ATOM 772 CB LEU A 52 4.271 -17.473 6.472 1.00 51.20 C ATOM 773 CG LEU A 52 5.211 -16.394 7.011 1.00 50.25 C ATOM 774 CD1 LEU A 52 5.667 -15.475 5.888 1.00 5.21 C ATOM 775 CD2 LEU A 52 4.530 -15.595 8.113 1.00 65.23 C ATOM 0 H LEU A 52 4.010 -18.543 3.785 1.00 51.42 H new ATOM 0 HA LEU A 52 5.974 -18.683 5.967 1.00 55.13 H new ATOM 0 HB2 LEU A 52 3.523 -16.993 5.841 1.00 51.20 H new ATOM 0 HB3 LEU A 52 3.740 -17.917 7.314 1.00 51.20 H new ATOM 0 HG LEU A 52 6.089 -16.882 7.434 1.00 50.25 H new ATOM 0 HD11 LEU A 52 6.335 -14.713 6.290 1.00 5.21 H new ATOM 0 HD12 LEU A 52 6.194 -16.058 5.132 1.00 5.21 H new ATOM 0 HD13 LEU A 52 4.799 -14.995 5.436 1.00 5.21 H new ATOM 0 HD21 LEU A 52 5.214 -14.832 8.485 1.00 65.23 H new ATOM 0 HD22 LEU A 52 3.634 -15.117 7.716 1.00 65.23 H new ATOM 0 HD23 LEU A 52 4.254 -16.263 8.929 1.00 65.23 H new ATOM 787 N SER A 53 4.896 -21.022 5.622 1.00 15.22 N ATOM 788 CA SER A 53 4.340 -22.351 5.848 1.00 13.23 C ATOM 789 C SER A 53 4.254 -22.657 7.340 1.00 31.24 C ATOM 790 O SER A 53 5.001 -22.099 8.144 1.00 65.31 O ATOM 791 CB SER A 53 5.193 -23.410 5.147 1.00 52.51 C ATOM 792 OG SER A 53 4.810 -24.716 5.540 1.00 14.13 O ATOM 0 H SER A 53 5.819 -21.019 5.188 1.00 15.22 H new ATOM 0 HA SER A 53 3.333 -22.372 5.432 1.00 13.23 H new ATOM 0 HB2 SER A 53 5.090 -23.307 4.067 1.00 52.51 H new ATOM 0 HB3 SER A 53 6.245 -23.249 5.384 1.00 52.51 H new ATOM 0 HG SER A 53 5.369 -25.374 5.077 1.00 14.13 H new ATOM 798 N ASP A 54 3.337 -23.547 7.703 1.00 21.42 N ATOM 799 CA ASP A 54 3.153 -23.930 9.098 1.00 32.03 C ATOM 800 C ASP A 54 3.536 -25.390 9.316 1.00 24.35 C ATOM 801 O ASP A 54 3.851 -25.799 10.435 1.00 70.04 O ATOM 802 CB ASP A 54 1.702 -23.702 9.524 1.00 13.25 C ATOM 803 CG ASP A 54 1.499 -23.893 11.015 1.00 42.42 C ATOM 804 OD1 ASP A 54 1.292 -25.048 11.443 1.00 51.33 O ATOM 805 OD2 ASP A 54 1.549 -22.887 11.753 1.00 31.14 O ATOM 0 H ASP A 54 2.709 -24.017 7.050 1.00 21.42 H new ATOM 0 HA ASP A 54 3.806 -23.307 9.709 1.00 32.03 H new ATOM 0 HB2 ASP A 54 1.399 -22.693 9.245 1.00 13.25 H new ATOM 0 HB3 ASP A 54 1.055 -24.391 8.981 1.00 13.25 H new ATOM 810 N ILE A 55 3.507 -26.171 8.242 1.00 71.31 N ATOM 811 CA ILE A 55 3.851 -27.586 8.317 1.00 45.35 C ATOM 812 C ILE A 55 2.952 -28.319 9.305 1.00 33.32 C ATOM 813 O ILE A 55 3.299 -28.480 10.475 1.00 24.32 O ATOM 814 CB ILE A 55 5.321 -27.786 8.731 1.00 42.11 C ATOM 815 CG1 ILE A 55 6.251 -27.042 7.770 1.00 72.12 C ATOM 816 CG2 ILE A 55 5.664 -29.268 8.767 1.00 0.35 C ATOM 817 CD1 ILE A 55 7.712 -27.136 8.148 1.00 22.34 C ATOM 0 H ILE A 55 3.249 -25.848 7.309 1.00 71.31 H new ATOM 0 HA ILE A 55 3.703 -28.000 7.320 1.00 45.35 H new ATOM 0 HB ILE A 55 5.460 -27.376 9.731 1.00 42.11 H new ATOM 0 HG12 ILE A 55 6.118 -27.443 6.765 1.00 72.12 H new ATOM 0 HG13 ILE A 55 5.960 -25.992 7.736 1.00 72.12 H new ATOM 0 HG21 ILE A 55 6.706 -29.393 9.061 1.00 0.35 H new ATOM 0 HG22 ILE A 55 5.020 -29.773 9.487 1.00 0.35 H new ATOM 0 HG23 ILE A 55 5.512 -29.701 7.778 1.00 0.35 H new ATOM 0 HD11 ILE A 55 8.312 -26.586 7.423 1.00 22.34 H new ATOM 0 HD12 ILE A 55 7.859 -26.709 9.140 1.00 22.34 H new ATOM 0 HD13 ILE A 55 8.020 -28.182 8.154 1.00 22.34 H new ATOM 920 N GLY A 62 5.407 -30.844 4.847 1.00 64.42 N ATOM 921 CA GLY A 62 5.580 -29.432 5.131 1.00 41.20 C ATOM 922 C GLY A 62 6.760 -28.832 4.392 1.00 13.31 C ATOM 923 O GLY A 62 6.595 -27.921 3.580 1.00 51.42 O ATOM 0 HA2 GLY A 62 4.672 -28.895 4.856 1.00 41.20 H new ATOM 0 HA3 GLY A 62 5.719 -29.295 6.203 1.00 41.20 H new ATOM 927 N LEU A 63 7.954 -29.341 4.674 1.00 34.24 N ATOM 928 CA LEU A 63 9.167 -28.849 4.032 1.00 41.34 C ATOM 929 C LEU A 63 9.350 -29.482 2.656 1.00 51.41 C ATOM 930 O LEU A 63 10.151 -29.013 1.848 1.00 71.03 O ATOM 931 CB LEU A 63 10.387 -29.142 4.907 1.00 73.41 C ATOM 932 CG LEU A 63 10.359 -30.464 5.675 1.00 60.41 C ATOM 933 CD1 LEU A 63 10.084 -31.624 4.731 1.00 74.42 C ATOM 934 CD2 LEU A 63 11.670 -30.678 6.417 1.00 44.23 C ATOM 0 H LEU A 63 8.108 -30.095 5.344 1.00 34.24 H new ATOM 0 HA LEU A 63 9.069 -27.771 3.906 1.00 41.34 H new ATOM 0 HB2 LEU A 63 11.274 -29.131 4.274 1.00 73.41 H new ATOM 0 HB3 LEU A 63 10.498 -28.330 5.625 1.00 73.41 H new ATOM 0 HG LEU A 63 9.553 -30.419 6.407 1.00 60.41 H new ATOM 0 HD11 LEU A 63 10.068 -32.556 5.295 1.00 74.42 H new ATOM 0 HD12 LEU A 63 9.119 -31.477 4.245 1.00 74.42 H new ATOM 0 HD13 LEU A 63 10.868 -31.671 3.975 1.00 74.42 H new ATOM 0 HD21 LEU A 63 11.632 -31.624 6.958 1.00 44.23 H new ATOM 0 HD22 LEU A 63 12.493 -30.702 5.702 1.00 44.23 H new ATOM 0 HD23 LEU A 63 11.826 -29.862 7.123 1.00 44.23 H new ATOM 946 N ALA A 64 8.600 -30.548 2.396 1.00 2.24 N ATOM 947 CA ALA A 64 8.676 -31.242 1.117 1.00 24.31 C ATOM 948 C ALA A 64 8.630 -30.257 -0.046 1.00 31.21 C ATOM 949 O ALA A 64 9.525 -30.236 -0.892 1.00 22.53 O ATOM 950 CB ALA A 64 7.548 -32.256 0.999 1.00 54.54 C ATOM 0 H ALA A 64 7.933 -30.950 3.055 1.00 2.24 H new ATOM 0 HA ALA A 64 9.629 -31.769 1.074 1.00 24.31 H new ATOM 0 HB1 ALA A 64 7.617 -32.767 0.039 1.00 54.54 H new ATOM 0 HB2 ALA A 64 7.629 -32.986 1.805 1.00 54.54 H new ATOM 0 HB3 ALA A 64 6.589 -31.743 1.069 1.00 54.54 H new ATOM 956 N LEU A 65 7.581 -29.443 -0.083 1.00 43.54 N ATOM 957 CA LEU A 65 7.418 -28.454 -1.144 1.00 74.41 C ATOM 958 C LEU A 65 8.320 -27.247 -0.908 1.00 33.42 C ATOM 959 O LEU A 65 8.665 -26.524 -1.843 1.00 72.02 O ATOM 960 CB LEU A 65 5.958 -28.006 -1.229 1.00 53.50 C ATOM 961 CG LEU A 65 5.605 -26.722 -0.476 1.00 21.42 C ATOM 962 CD1 LEU A 65 4.189 -26.280 -0.809 1.00 12.10 C ATOM 963 CD2 LEU A 65 5.764 -26.924 1.024 1.00 10.22 C ATOM 0 H LEU A 65 6.831 -29.448 0.608 1.00 43.54 H new ATOM 0 HA LEU A 65 7.705 -28.918 -2.087 1.00 74.41 H new ATOM 0 HB2 LEU A 65 5.701 -27.870 -2.280 1.00 53.50 H new ATOM 0 HB3 LEU A 65 5.329 -28.811 -0.849 1.00 53.50 H new ATOM 0 HG LEU A 65 6.292 -25.937 -0.792 1.00 21.42 H new ATOM 0 HD11 LEU A 65 3.956 -25.365 -0.264 1.00 12.10 H new ATOM 0 HD12 LEU A 65 4.108 -26.095 -1.880 1.00 12.10 H new ATOM 0 HD13 LEU A 65 3.487 -27.062 -0.522 1.00 12.10 H new ATOM 0 HD21 LEU A 65 5.509 -26.001 1.544 1.00 10.22 H new ATOM 0 HD22 LEU A 65 5.101 -27.723 1.356 1.00 10.22 H new ATOM 0 HD23 LEU A 65 6.796 -27.193 1.247 1.00 10.22 H new ATOM 975 N LEU A 66 8.700 -27.037 0.347 1.00 2.44 N ATOM 976 CA LEU A 66 9.565 -25.918 0.707 1.00 30.11 C ATOM 977 C LEU A 66 10.986 -26.143 0.199 1.00 13.04 C ATOM 978 O LEU A 66 11.749 -25.195 0.018 1.00 4.51 O ATOM 979 CB LEU A 66 9.578 -25.725 2.225 1.00 71.45 C ATOM 980 CG LEU A 66 9.550 -24.278 2.718 1.00 73.34 C ATOM 981 CD1 LEU A 66 10.657 -23.469 2.061 1.00 25.03 C ATOM 982 CD2 LEU A 66 8.192 -23.648 2.444 1.00 41.24 C ATOM 0 H LEU A 66 8.423 -27.626 1.132 1.00 2.44 H new ATOM 0 HA LEU A 66 9.169 -25.018 0.236 1.00 30.11 H new ATOM 0 HB2 LEU A 66 8.718 -26.247 2.645 1.00 71.45 H new ATOM 0 HB3 LEU A 66 10.470 -26.207 2.625 1.00 71.45 H new ATOM 0 HG LEU A 66 9.718 -24.278 3.795 1.00 73.34 H new ATOM 0 HD11 LEU A 66 10.621 -22.442 2.424 1.00 25.03 H new ATOM 0 HD12 LEU A 66 11.624 -23.908 2.308 1.00 25.03 H new ATOM 0 HD13 LEU A 66 10.520 -23.477 0.980 1.00 25.03 H new ATOM 0 HD21 LEU A 66 8.190 -22.618 2.801 1.00 41.24 H new ATOM 0 HD22 LEU A 66 7.995 -23.661 1.372 1.00 41.24 H new ATOM 0 HD23 LEU A 66 7.417 -24.213 2.962 1.00 41.24 H new ATOM 994 N LYS A 67 11.333 -27.405 -0.030 1.00 45.44 N ATOM 995 CA LYS A 67 12.661 -27.756 -0.521 1.00 11.41 C ATOM 996 C LYS A 67 12.837 -27.322 -1.973 1.00 11.44 C ATOM 997 O LYS A 67 13.953 -27.057 -2.419 1.00 72.21 O ATOM 998 CB LYS A 67 12.891 -29.264 -0.397 1.00 12.52 C ATOM 999 CG LYS A 67 13.798 -29.647 0.760 1.00 74.45 C ATOM 1000 CD LYS A 67 13.110 -29.442 2.099 1.00 23.41 C ATOM 1001 CE LYS A 67 14.107 -29.474 3.248 1.00 60.44 C ATOM 1002 NZ LYS A 67 14.769 -30.802 3.370 1.00 25.43 N ATOM 0 H LYS A 67 10.713 -28.202 0.116 1.00 45.44 H new ATOM 0 HA LYS A 67 13.397 -27.231 0.088 1.00 11.41 H new ATOM 0 HB2 LYS A 67 11.929 -29.761 -0.274 1.00 12.52 H new ATOM 0 HB3 LYS A 67 13.324 -29.635 -1.326 1.00 12.52 H new ATOM 0 HG2 LYS A 67 14.097 -30.690 0.659 1.00 74.45 H new ATOM 0 HG3 LYS A 67 14.709 -29.050 0.723 1.00 74.45 H new ATOM 0 HD2 LYS A 67 12.585 -28.487 2.097 1.00 23.41 H new ATOM 0 HD3 LYS A 67 12.359 -30.218 2.246 1.00 23.41 H new ATOM 0 HE2 LYS A 67 14.863 -28.704 3.095 1.00 60.44 H new ATOM 0 HE3 LYS A 67 13.595 -29.236 4.180 1.00 60.44 H new ATOM 0 HZ1 LYS A 67 15.390 -30.805 4.204 1.00 25.43 H new ATOM 0 HZ2 LYS A 67 14.046 -31.542 3.474 1.00 25.43 H new ATOM 0 HZ3 LYS A 67 15.334 -30.988 2.517 1.00 25.43 H new ATOM 1016 N GLN A 68 11.729 -27.250 -2.702 1.00 55.54 N ATOM 1017 CA GLN A 68 11.762 -26.847 -4.103 1.00 51.44 C ATOM 1018 C GLN A 68 11.698 -25.328 -4.235 1.00 24.42 C ATOM 1019 O GLN A 68 12.121 -24.765 -5.245 1.00 25.13 O ATOM 1020 CB GLN A 68 10.601 -27.485 -4.867 1.00 71.45 C ATOM 1021 CG GLN A 68 9.320 -26.668 -4.823 1.00 1.21 C ATOM 1022 CD GLN A 68 8.076 -27.533 -4.783 1.00 22.52 C ATOM 1023 OE1 GLN A 68 7.010 -27.011 -4.187 1.00 20.35 O flip ATOM 1024 NE2 GLN A 68 8.073 -28.659 -5.282 1.00 63.52 N flip ATOM 0 H GLN A 68 10.798 -27.465 -2.346 1.00 55.54 H new ATOM 0 HA GLN A 68 12.703 -27.192 -4.531 1.00 51.44 H new ATOM 0 HB2 GLN A 68 10.896 -27.627 -5.907 1.00 71.45 H new ATOM 0 HB3 GLN A 68 10.405 -28.474 -4.453 1.00 71.45 H new ATOM 0 HG2 GLN A 68 9.336 -26.021 -3.946 1.00 1.21 H new ATOM 0 HG3 GLN A 68 9.278 -26.018 -5.697 1.00 1.21 H new ATOM 0 HE21 GLN A 68 8.915 -29.020 -5.730 1.00 63.52 H new ATOM 0 HE22 GLN A 68 7.229 -29.230 -5.247 1.00 63.52 H new ATOM 1033 N ILE A 69 11.167 -24.672 -3.209 1.00 24.45 N ATOM 1034 CA ILE A 69 11.050 -23.220 -3.210 1.00 13.42 C ATOM 1035 C ILE A 69 12.419 -22.557 -3.320 1.00 32.22 C ATOM 1036 O ILE A 69 12.541 -21.438 -3.817 1.00 43.33 O ATOM 1037 CB ILE A 69 10.346 -22.711 -1.938 1.00 4.33 C ATOM 1038 CG1 ILE A 69 8.884 -23.160 -1.923 1.00 13.40 C ATOM 1039 CG2 ILE A 69 10.442 -21.195 -1.850 1.00 52.21 C ATOM 1040 CD1 ILE A 69 8.159 -22.817 -0.640 1.00 43.10 C ATOM 0 H ILE A 69 10.811 -25.123 -2.366 1.00 24.45 H new ATOM 0 HA ILE A 69 10.449 -22.953 -4.080 1.00 13.42 H new ATOM 0 HB ILE A 69 10.846 -23.138 -1.069 1.00 4.33 H new ATOM 0 HG12 ILE A 69 8.362 -22.697 -2.761 1.00 13.40 H new ATOM 0 HG13 ILE A 69 8.842 -24.238 -2.077 1.00 13.40 H new ATOM 0 HG21 ILE A 69 9.940 -20.851 -0.946 1.00 52.21 H new ATOM 0 HG22 ILE A 69 11.490 -20.898 -1.818 1.00 52.21 H new ATOM 0 HG23 ILE A 69 9.965 -20.749 -2.722 1.00 52.21 H new ATOM 0 HD11 ILE A 69 7.128 -23.165 -0.701 1.00 43.10 H new ATOM 0 HD12 ILE A 69 8.657 -23.301 0.200 1.00 43.10 H new ATOM 0 HD13 ILE A 69 8.169 -21.737 -0.494 1.00 43.10 H new ATOM 1052 N LYS A 70 13.448 -23.257 -2.854 1.00 14.14 N ATOM 1053 CA LYS A 70 14.810 -22.740 -2.902 1.00 10.44 C ATOM 1054 C LYS A 70 15.413 -22.923 -4.291 1.00 11.23 C ATOM 1055 O LYS A 70 16.320 -22.190 -4.684 1.00 52.04 O ATOM 1056 CB LYS A 70 15.682 -23.443 -1.859 1.00 33.11 C ATOM 1057 CG LYS A 70 15.123 -23.368 -0.449 1.00 32.34 C ATOM 1058 CD LYS A 70 15.393 -22.015 0.187 1.00 1.03 C ATOM 1059 CE LYS A 70 14.352 -21.677 1.243 1.00 33.32 C ATOM 1060 NZ LYS A 70 12.992 -21.533 0.654 1.00 15.24 N ATOM 0 H LYS A 70 13.364 -24.185 -2.438 1.00 14.14 H new ATOM 0 HA LYS A 70 14.775 -21.674 -2.678 1.00 10.44 H new ATOM 0 HB2 LYS A 70 15.797 -24.490 -2.140 1.00 33.11 H new ATOM 0 HB3 LYS A 70 16.677 -22.999 -1.870 1.00 33.11 H new ATOM 0 HG2 LYS A 70 14.049 -23.552 -0.472 1.00 32.34 H new ATOM 0 HG3 LYS A 70 15.568 -24.153 0.162 1.00 32.34 H new ATOM 0 HD2 LYS A 70 16.385 -22.016 0.640 1.00 1.03 H new ATOM 0 HD3 LYS A 70 15.395 -21.244 -0.583 1.00 1.03 H new ATOM 0 HE2 LYS A 70 14.338 -22.459 2.003 1.00 33.32 H new ATOM 0 HE3 LYS A 70 14.631 -20.750 1.744 1.00 33.32 H new ATOM 0 HZ1 LYS A 70 12.337 -21.172 1.377 1.00 15.24 H new ATOM 0 HZ2 LYS A 70 13.028 -20.868 -0.144 1.00 15.24 H new ATOM 0 HZ3 LYS A 70 12.659 -22.459 0.318 1.00 15.24 H new ATOM 1074 N GLN A 71 14.902 -23.904 -5.028 1.00 50.50 N ATOM 1075 CA GLN A 71 15.391 -24.181 -6.373 1.00 75.15 C ATOM 1076 C GLN A 71 14.608 -23.385 -7.412 1.00 54.40 C ATOM 1077 O GLN A 71 15.164 -22.939 -8.416 1.00 23.13 O ATOM 1078 CB GLN A 71 15.288 -25.677 -6.677 1.00 44.25 C ATOM 1079 CG GLN A 71 16.447 -26.210 -7.504 1.00 64.11 C ATOM 1080 CD GLN A 71 17.654 -26.564 -6.657 1.00 50.03 C ATOM 1081 OE1 GLN A 71 18.206 -25.715 -5.958 1.00 4.45 O ATOM 1082 NE2 GLN A 71 18.070 -27.824 -6.716 1.00 50.31 N ATOM 0 H GLN A 71 14.150 -24.519 -4.717 1.00 50.50 H new ATOM 0 HA GLN A 71 16.437 -23.878 -6.422 1.00 75.15 H new ATOM 0 HB2 GLN A 71 15.239 -26.228 -5.738 1.00 44.25 H new ATOM 0 HB3 GLN A 71 14.355 -25.868 -7.208 1.00 44.25 H new ATOM 0 HG2 GLN A 71 16.121 -27.094 -8.052 1.00 64.11 H new ATOM 0 HG3 GLN A 71 16.734 -25.463 -8.244 1.00 64.11 H new ATOM 0 HE21 GLN A 71 17.582 -28.495 -7.309 1.00 50.31 H new ATOM 0 HE22 GLN A 71 18.877 -28.121 -6.168 1.00 50.31 H new ATOM 1091 N ARG A 72 13.314 -23.209 -7.164 1.00 72.41 N ATOM 1092 CA ARG A 72 12.454 -22.468 -8.079 1.00 1.23 C ATOM 1093 C ARG A 72 12.437 -20.983 -7.726 1.00 24.41 C ATOM 1094 O ARG A 72 12.211 -20.132 -8.587 1.00 24.31 O ATOM 1095 CB ARG A 72 11.031 -23.028 -8.042 1.00 10.21 C ATOM 1096 CG ARG A 72 10.629 -23.754 -9.315 1.00 62.22 C ATOM 1097 CD ARG A 72 9.123 -23.722 -9.523 1.00 42.24 C ATOM 1098 NE ARG A 72 8.736 -24.296 -10.809 1.00 71.21 N ATOM 1099 CZ ARG A 72 8.912 -23.679 -11.972 1.00 72.54 C ATOM 1100 NH1 ARG A 72 9.466 -22.476 -12.011 1.00 42.31 N ATOM 1101 NH2 ARG A 72 8.533 -24.267 -13.100 1.00 63.22 N ATOM 0 H ARG A 72 12.838 -23.570 -6.337 1.00 72.41 H new ATOM 0 HA ARG A 72 12.855 -22.580 -9.086 1.00 1.23 H new ATOM 0 HB2 ARG A 72 10.941 -23.713 -7.199 1.00 10.21 H new ATOM 0 HB3 ARG A 72 10.332 -22.210 -7.864 1.00 10.21 H new ATOM 0 HG2 ARG A 72 11.125 -23.294 -10.170 1.00 62.22 H new ATOM 0 HG3 ARG A 72 10.969 -24.789 -9.268 1.00 62.22 H new ATOM 0 HD2 ARG A 72 8.634 -24.272 -8.719 1.00 42.24 H new ATOM 0 HD3 ARG A 72 8.771 -22.692 -9.465 1.00 42.24 H new ATOM 0 HE ARG A 72 8.307 -25.221 -10.814 1.00 71.21 H new ATOM 0 HH11 ARG A 72 9.759 -22.021 -11.146 1.00 42.31 H new ATOM 0 HH12 ARG A 72 9.600 -22.005 -12.906 1.00 42.31 H new ATOM 0 HH21 ARG A 72 8.106 -25.193 -13.074 1.00 63.22 H new ATOM 0 HH22 ARG A 72 8.668 -23.793 -13.993 1.00 63.22 H new ATOM 1115 N HIS A 73 12.677 -20.680 -6.454 1.00 44.22 N ATOM 1116 CA HIS A 73 12.690 -19.298 -5.987 1.00 50.03 C ATOM 1117 C HIS A 73 13.739 -19.103 -4.896 1.00 54.44 C ATOM 1118 O HIS A 73 13.424 -19.002 -3.710 1.00 43.03 O ATOM 1119 CB HIS A 73 11.310 -18.903 -5.461 1.00 51.31 C ATOM 1120 CG HIS A 73 10.180 -19.401 -6.309 1.00 23.43 C ATOM 1121 ND1 HIS A 73 9.774 -18.773 -7.467 1.00 10.12 N ATOM 1122 CD2 HIS A 73 9.371 -20.476 -6.162 1.00 32.22 C ATOM 1123 CE1 HIS A 73 8.762 -19.438 -7.995 1.00 23.53 C ATOM 1124 NE2 HIS A 73 8.498 -20.477 -7.222 1.00 43.21 N ATOM 0 H HIS A 73 12.865 -21.372 -5.729 1.00 44.22 H new ATOM 0 HA HIS A 73 12.946 -18.657 -6.831 1.00 50.03 H new ATOM 0 HB2 HIS A 73 11.192 -19.290 -4.449 1.00 51.31 H new ATOM 0 HB3 HIS A 73 11.253 -17.816 -5.395 1.00 51.31 H new ATOM 0 HD1 HIS A 73 10.190 -17.927 -7.856 1.00 10.12 H new ATOM 0 HD2 HIS A 73 9.406 -21.199 -5.360 1.00 32.22 H new ATOM 0 HE1 HIS A 73 8.239 -19.177 -8.903 1.00 23.53 H new ATOM 1132 N PRO A 74 15.015 -19.048 -5.305 1.00 21.43 N ATOM 1133 CA PRO A 74 16.136 -18.865 -4.377 1.00 74.15 C ATOM 1134 C PRO A 74 16.166 -17.465 -3.775 1.00 3.22 C ATOM 1135 O PRO A 74 16.392 -17.300 -2.576 1.00 43.45 O ATOM 1136 CB PRO A 74 17.366 -19.095 -5.258 1.00 62.33 C ATOM 1137 CG PRO A 74 16.912 -18.764 -6.638 1.00 33.40 C ATOM 1138 CD PRO A 74 15.463 -19.161 -6.703 1.00 32.20 C ATOM 0 HA PRO A 74 16.074 -19.540 -3.524 1.00 74.15 H new ATOM 0 HB2 PRO A 74 18.197 -18.459 -4.952 1.00 62.33 H new ATOM 0 HB3 PRO A 74 17.713 -20.126 -5.192 1.00 62.33 H new ATOM 0 HG2 PRO A 74 17.035 -17.701 -6.845 1.00 33.40 H new ATOM 0 HG3 PRO A 74 17.498 -19.304 -7.382 1.00 33.40 H new ATOM 0 HD2 PRO A 74 14.895 -18.503 -7.361 1.00 32.20 H new ATOM 0 HD3 PRO A 74 15.341 -20.175 -7.083 1.00 32.20 H new ATOM 1146 N MET A 75 15.937 -16.460 -4.613 1.00 41.54 N ATOM 1147 CA MET A 75 15.937 -15.073 -4.162 1.00 1.13 C ATOM 1148 C MET A 75 14.681 -14.765 -3.353 1.00 0.31 C ATOM 1149 O MET A 75 14.555 -13.687 -2.770 1.00 33.01 O ATOM 1150 CB MET A 75 16.033 -14.124 -5.358 1.00 72.42 C ATOM 1151 CG MET A 75 16.395 -12.698 -4.976 1.00 23.51 C ATOM 1152 SD MET A 75 15.374 -11.473 -5.817 1.00 22.04 S ATOM 1153 CE MET A 75 13.765 -11.839 -5.121 1.00 13.30 C ATOM 0 H MET A 75 15.749 -16.580 -5.608 1.00 41.54 H new ATOM 0 HA MET A 75 16.806 -14.926 -3.521 1.00 1.13 H new ATOM 0 HB2 MET A 75 16.780 -14.505 -6.055 1.00 72.42 H new ATOM 0 HB3 MET A 75 15.079 -14.119 -5.885 1.00 72.42 H new ATOM 0 HG2 MET A 75 16.288 -12.576 -3.898 1.00 23.51 H new ATOM 0 HG3 MET A 75 17.443 -12.517 -5.214 1.00 23.51 H new ATOM 0 HE1 MET A 75 13.017 -11.186 -5.571 1.00 13.30 H new ATOM 0 HE2 MET A 75 13.508 -12.879 -5.325 1.00 13.30 H new ATOM 0 HE3 MET A 75 13.789 -11.675 -4.044 1.00 13.30 H new ATOM 1163 N LEU A 76 13.755 -15.716 -3.322 1.00 34.32 N ATOM 1164 CA LEU A 76 12.508 -15.546 -2.584 1.00 74.11 C ATOM 1165 C LEU A 76 12.644 -16.067 -1.157 1.00 12.52 C ATOM 1166 O LEU A 76 12.759 -17.269 -0.916 1.00 51.55 O ATOM 1167 CB LEU A 76 11.367 -16.274 -3.298 1.00 13.34 C ATOM 1168 CG LEU A 76 10.062 -16.410 -2.512 1.00 0.41 C ATOM 1169 CD1 LEU A 76 9.440 -15.043 -2.269 1.00 63.11 C ATOM 1170 CD2 LEU A 76 9.088 -17.318 -3.249 1.00 10.55 C ATOM 0 H LEU A 76 13.844 -16.613 -3.799 1.00 34.32 H new ATOM 0 HA LEU A 76 12.282 -14.481 -2.542 1.00 74.11 H new ATOM 0 HB2 LEU A 76 11.154 -15.749 -4.229 1.00 13.34 H new ATOM 0 HB3 LEU A 76 11.712 -17.273 -3.567 1.00 13.34 H new ATOM 0 HG LEU A 76 10.287 -16.861 -1.545 1.00 0.41 H new ATOM 0 HD11 LEU A 76 8.512 -15.160 -1.709 1.00 63.11 H new ATOM 0 HD12 LEU A 76 10.133 -14.424 -1.699 1.00 63.11 H new ATOM 0 HD13 LEU A 76 9.228 -14.564 -3.225 1.00 63.11 H new ATOM 0 HD21 LEU A 76 8.165 -17.403 -2.675 1.00 10.55 H new ATOM 0 HD22 LEU A 76 8.868 -16.896 -4.230 1.00 10.55 H new ATOM 0 HD23 LEU A 76 9.532 -18.306 -3.371 1.00 10.55 H new ATOM 1182 N PRO A 77 12.629 -15.142 -0.186 1.00 13.45 N ATOM 1183 CA PRO A 77 12.747 -15.484 1.235 1.00 14.51 C ATOM 1184 C PRO A 77 11.509 -16.200 1.763 1.00 32.35 C ATOM 1185 O PRO A 77 10.380 -15.823 1.450 1.00 75.51 O ATOM 1186 CB PRO A 77 12.907 -14.122 1.916 1.00 43.25 C ATOM 1187 CG PRO A 77 12.259 -13.155 0.986 1.00 41.12 C ATOM 1188 CD PRO A 77 12.495 -13.691 -0.399 1.00 54.23 C ATOM 0 HA PRO A 77 13.574 -16.169 1.422 1.00 14.51 H new ATOM 0 HB2 PRO A 77 12.429 -14.110 2.895 1.00 43.25 H new ATOM 0 HB3 PRO A 77 13.958 -13.878 2.072 1.00 43.25 H new ATOM 0 HG2 PRO A 77 11.193 -13.068 1.194 1.00 41.12 H new ATOM 0 HG3 PRO A 77 12.688 -12.159 1.097 1.00 41.12 H new ATOM 0 HD2 PRO A 77 11.666 -13.458 -1.067 1.00 54.23 H new ATOM 0 HD3 PRO A 77 13.393 -13.266 -0.847 1.00 54.23 H new ATOM 1196 N VAL A 78 11.728 -17.236 2.568 1.00 42.33 N ATOM 1197 CA VAL A 78 10.630 -18.005 3.141 1.00 1.52 C ATOM 1198 C VAL A 78 10.796 -18.158 4.649 1.00 74.41 C ATOM 1199 O VAL A 78 11.901 -18.037 5.178 1.00 61.34 O ATOM 1200 CB VAL A 78 10.529 -19.402 2.502 1.00 62.04 C ATOM 1201 CG1 VAL A 78 9.263 -20.109 2.960 1.00 53.14 C ATOM 1202 CG2 VAL A 78 10.573 -19.298 0.985 1.00 55.44 C ATOM 0 H VAL A 78 12.656 -17.562 2.838 1.00 42.33 H new ATOM 0 HA VAL A 78 9.714 -17.452 2.933 1.00 1.52 H new ATOM 0 HB VAL A 78 11.384 -19.994 2.828 1.00 62.04 H new ATOM 0 HG11 VAL A 78 9.209 -21.095 2.498 1.00 53.14 H new ATOM 0 HG12 VAL A 78 9.279 -20.217 4.045 1.00 53.14 H new ATOM 0 HG13 VAL A 78 8.392 -19.523 2.666 1.00 53.14 H new ATOM 0 HG21 VAL A 78 10.500 -20.295 0.550 1.00 55.44 H new ATOM 0 HG22 VAL A 78 9.739 -18.689 0.638 1.00 55.44 H new ATOM 0 HG23 VAL A 78 11.512 -18.836 0.679 1.00 55.44 H new ATOM 1212 N ILE A 79 9.690 -18.426 5.336 1.00 61.34 N ATOM 1213 CA ILE A 79 9.713 -18.598 6.783 1.00 62.52 C ATOM 1214 C ILE A 79 9.001 -19.882 7.195 1.00 31.21 C ATOM 1215 O ILE A 79 8.024 -20.291 6.566 1.00 24.44 O ATOM 1216 CB ILE A 79 9.055 -17.406 7.502 1.00 25.12 C ATOM 1217 CG1 ILE A 79 9.560 -16.087 6.914 1.00 11.54 C ATOM 1218 CG2 ILE A 79 9.336 -17.468 8.996 1.00 23.41 C ATOM 1219 CD1 ILE A 79 8.817 -14.873 7.428 1.00 72.11 C ATOM 0 H ILE A 79 8.767 -18.529 4.913 1.00 61.34 H new ATOM 0 HA ILE A 79 10.761 -18.656 7.077 1.00 62.52 H new ATOM 0 HB ILE A 79 7.977 -17.460 7.352 1.00 25.12 H new ATOM 0 HG12 ILE A 79 10.620 -15.978 7.143 1.00 11.54 H new ATOM 0 HG13 ILE A 79 9.471 -16.125 5.828 1.00 11.54 H new ATOM 0 HG21 ILE A 79 8.864 -16.619 9.490 1.00 23.41 H new ATOM 0 HG22 ILE A 79 8.933 -18.395 9.404 1.00 23.41 H new ATOM 0 HG23 ILE A 79 10.412 -17.435 9.165 1.00 23.41 H new ATOM 0 HD11 ILE A 79 9.228 -13.974 6.969 1.00 72.11 H new ATOM 0 HD12 ILE A 79 7.760 -14.959 7.175 1.00 72.11 H new ATOM 0 HD13 ILE A 79 8.927 -14.810 8.511 1.00 72.11 H new ATOM 1231 N ILE A 80 9.495 -20.512 8.256 1.00 40.04 N ATOM 1232 CA ILE A 80 8.904 -21.748 8.754 1.00 51.33 C ATOM 1233 C ILE A 80 8.245 -21.533 10.112 1.00 23.53 C ATOM 1234 O ILE A 80 8.768 -20.810 10.959 1.00 12.52 O ATOM 1235 CB ILE A 80 9.956 -22.866 8.876 1.00 0.34 C ATOM 1236 CG1 ILE A 80 10.702 -23.041 7.552 1.00 22.22 C ATOM 1237 CG2 ILE A 80 9.296 -24.171 9.296 1.00 52.43 C ATOM 1238 CD1 ILE A 80 9.911 -23.798 6.508 1.00 10.24 C ATOM 0 H ILE A 80 10.303 -20.187 8.787 1.00 40.04 H new ATOM 0 HA ILE A 80 8.148 -22.051 8.030 1.00 51.33 H new ATOM 0 HB ILE A 80 10.678 -22.584 9.643 1.00 0.34 H new ATOM 0 HG12 ILE A 80 10.961 -22.058 7.158 1.00 22.22 H new ATOM 0 HG13 ILE A 80 11.638 -23.567 7.739 1.00 22.22 H new ATOM 0 HG21 ILE A 80 10.052 -24.951 9.378 1.00 52.43 H new ATOM 0 HG22 ILE A 80 8.807 -24.037 10.261 1.00 52.43 H new ATOM 0 HG23 ILE A 80 8.555 -24.460 8.551 1.00 52.43 H new ATOM 0 HD11 ILE A 80 10.501 -23.884 5.596 1.00 10.24 H new ATOM 0 HD12 ILE A 80 9.674 -24.794 6.882 1.00 10.24 H new ATOM 0 HD13 ILE A 80 8.987 -23.262 6.293 1.00 10.24 H new ATOM 1250 N MET A 81 7.096 -22.170 10.313 1.00 11.44 N ATOM 1251 CA MET A 81 6.367 -22.051 11.571 1.00 2.10 C ATOM 1252 C MET A 81 6.166 -23.419 12.214 1.00 21.51 C ATOM 1253 O MET A 81 5.593 -24.325 11.607 1.00 43.34 O ATOM 1254 CB MET A 81 5.012 -21.380 11.339 1.00 42.43 C ATOM 1255 CG MET A 81 5.065 -19.862 11.413 1.00 61.33 C ATOM 1256 SD MET A 81 4.763 -19.078 9.818 1.00 75.15 S ATOM 1257 CE MET A 81 3.179 -19.793 9.384 1.00 73.24 C ATOM 0 H MET A 81 6.650 -22.773 9.622 1.00 11.44 H new ATOM 0 HA MET A 81 6.959 -21.434 12.248 1.00 2.10 H new ATOM 0 HB2 MET A 81 4.632 -21.675 10.361 1.00 42.43 H new ATOM 0 HB3 MET A 81 4.302 -21.747 12.080 1.00 42.43 H new ATOM 0 HG2 MET A 81 4.325 -19.511 12.132 1.00 61.33 H new ATOM 0 HG3 MET A 81 6.042 -19.554 11.786 1.00 61.33 H new ATOM 0 HE1 MET A 81 2.669 -19.143 8.672 1.00 73.24 H new ATOM 0 HE2 MET A 81 3.334 -20.774 8.934 1.00 73.24 H new ATOM 0 HE3 MET A 81 2.569 -19.898 10.281 1.00 73.24 H new ATOM 1267 N THR A 82 6.641 -23.565 13.447 1.00 2.33 N ATOM 1268 CA THR A 82 6.515 -24.823 14.172 1.00 52.12 C ATOM 1269 C THR A 82 7.168 -24.734 15.546 1.00 12.13 C ATOM 1270 O THR A 82 6.513 -24.406 16.535 1.00 14.10 O ATOM 1271 CB THR A 82 7.149 -25.988 13.389 1.00 23.00 C ATOM 1272 OG1 THR A 82 7.491 -27.052 14.285 1.00 55.31 O ATOM 1273 CG2 THR A 82 8.393 -25.526 12.645 1.00 22.20 C ATOM 0 H THR A 82 7.117 -22.826 13.965 1.00 2.33 H new ATOM 0 HA THR A 82 5.448 -25.013 14.292 1.00 52.12 H new ATOM 0 HB THR A 82 6.421 -26.346 12.661 1.00 23.00 H new ATOM 0 HG1 THR A 82 6.903 -27.819 14.121 1.00 55.31 H new ATOM 0 HG21 THR A 82 8.823 -26.366 12.099 1.00 22.20 H new ATOM 0 HG22 THR A 82 8.125 -24.736 11.943 1.00 22.20 H new ATOM 0 HG23 THR A 82 9.123 -25.145 13.359 1.00 22.20 H new ATOM 1281 N ALA A 83 8.463 -25.027 15.601 1.00 32.32 N ATOM 1282 CA ALA A 83 9.205 -24.978 16.855 1.00 51.52 C ATOM 1283 C ALA A 83 8.623 -25.948 17.876 1.00 33.44 C ATOM 1284 O ALA A 83 8.009 -25.535 18.861 1.00 70.21 O ATOM 1285 CB ALA A 83 9.207 -23.561 17.411 1.00 32.30 C ATOM 0 H ALA A 83 9.020 -25.301 14.792 1.00 32.32 H new ATOM 0 HA ALA A 83 10.233 -25.279 16.653 1.00 51.52 H new ATOM 0 HB1 ALA A 83 9.764 -23.538 18.347 1.00 32.30 H new ATOM 0 HB2 ALA A 83 9.677 -22.889 16.693 1.00 32.30 H new ATOM 0 HB3 ALA A 83 8.181 -23.240 17.591 1.00 32.30 H new ATOM 1291 N HIS A 84 8.818 -27.241 17.636 1.00 61.01 N ATOM 1292 CA HIS A 84 8.312 -28.271 18.536 1.00 72.21 C ATOM 1293 C HIS A 84 8.718 -29.661 18.054 1.00 13.21 C ATOM 1294 O HIS A 84 8.980 -30.555 18.858 1.00 23.02 O ATOM 1295 CB HIS A 84 6.789 -28.181 18.644 1.00 43.53 C ATOM 1296 CG HIS A 84 6.084 -28.374 17.337 1.00 52.52 C ATOM 1297 ND1 HIS A 84 5.846 -29.615 16.786 1.00 32.11 N ATOM 1298 CD2 HIS A 84 5.562 -27.473 16.471 1.00 32.41 C ATOM 1299 CE1 HIS A 84 5.210 -29.470 15.637 1.00 34.35 C ATOM 1300 NE2 HIS A 84 5.025 -28.180 15.423 1.00 34.14 N ATOM 0 H HIS A 84 9.323 -27.600 16.826 1.00 61.01 H new ATOM 0 HA HIS A 84 8.749 -28.105 19.521 1.00 72.21 H new ATOM 0 HB2 HIS A 84 6.438 -28.932 19.351 1.00 43.53 H new ATOM 0 HB3 HIS A 84 6.519 -27.207 19.053 1.00 43.53 H new ATOM 0 HD2 HIS A 84 5.567 -26.399 16.583 1.00 32.41 H new ATOM 0 HE1 HIS A 84 4.895 -30.270 14.984 1.00 34.35 H new ATOM 0 HE2 HIS A 84 4.559 -27.775 14.611 1.00 34.14 H new ATOM 1308 N SER A 85 8.766 -29.835 16.737 1.00 11.42 N ATOM 1309 CA SER A 85 9.135 -31.117 16.148 1.00 1.44 C ATOM 1310 C SER A 85 9.567 -30.943 14.696 1.00 44.34 C ATOM 1311 O SER A 85 9.432 -31.857 13.883 1.00 63.25 O ATOM 1312 CB SER A 85 7.962 -32.096 16.230 1.00 45.23 C ATOM 1313 OG SER A 85 8.335 -33.378 15.756 1.00 22.32 O ATOM 0 H SER A 85 8.554 -29.104 16.058 1.00 11.42 H new ATOM 0 HA SER A 85 9.976 -31.520 16.713 1.00 1.44 H new ATOM 0 HB2 SER A 85 7.619 -32.172 17.262 1.00 45.23 H new ATOM 0 HB3 SER A 85 7.126 -31.717 15.643 1.00 45.23 H new ATOM 0 HG SER A 85 8.838 -33.284 14.920 1.00 22.32 H new ATOM 1319 N ASP A 86 10.088 -29.763 14.377 1.00 13.32 N ATOM 1320 CA ASP A 86 10.541 -29.467 13.023 1.00 24.40 C ATOM 1321 C ASP A 86 11.822 -28.639 13.048 1.00 63.24 C ATOM 1322 O ASP A 86 12.727 -28.852 12.240 1.00 44.23 O ATOM 1323 CB ASP A 86 9.453 -28.723 12.248 1.00 32.14 C ATOM 1324 CG ASP A 86 8.842 -29.571 11.150 1.00 52.52 C ATOM 1325 OD1 ASP A 86 9.521 -29.795 10.126 1.00 61.10 O ATOM 1326 OD2 ASP A 86 7.685 -30.010 11.314 1.00 14.11 O ATOM 0 H ASP A 86 10.207 -28.996 15.038 1.00 13.32 H new ATOM 0 HA ASP A 86 10.750 -30.412 12.522 1.00 24.40 H new ATOM 0 HB2 ASP A 86 8.670 -28.408 12.938 1.00 32.14 H new ATOM 0 HB3 ASP A 86 9.876 -27.818 11.812 1.00 32.14 H new ATOM 1331 N LEU A 87 11.892 -27.694 13.978 1.00 15.14 N ATOM 1332 CA LEU A 87 13.061 -26.832 14.108 1.00 64.01 C ATOM 1333 C LEU A 87 14.345 -27.656 14.132 1.00 52.10 C ATOM 1334 O LEU A 87 15.312 -27.338 13.440 1.00 53.45 O ATOM 1335 CB LEU A 87 12.959 -25.988 15.380 1.00 65.51 C ATOM 1336 CG LEU A 87 12.576 -24.521 15.183 1.00 21.34 C ATOM 1337 CD1 LEU A 87 11.259 -24.410 14.430 1.00 4.15 C ATOM 1338 CD2 LEU A 87 12.487 -23.809 16.525 1.00 22.02 C ATOM 0 H LEU A 87 11.152 -27.505 14.654 1.00 15.14 H new ATOM 0 HA LEU A 87 13.092 -26.170 13.242 1.00 64.01 H new ATOM 0 HB2 LEU A 87 12.224 -26.449 16.040 1.00 65.51 H new ATOM 0 HB3 LEU A 87 13.919 -26.026 15.895 1.00 65.51 H new ATOM 0 HG LEU A 87 13.352 -24.039 14.589 1.00 21.34 H new ATOM 0 HD11 LEU A 87 11.002 -23.359 14.299 1.00 4.15 H new ATOM 0 HD12 LEU A 87 11.357 -24.884 13.453 1.00 4.15 H new ATOM 0 HD13 LEU A 87 10.472 -24.908 14.997 1.00 4.15 H new ATOM 0 HD21 LEU A 87 12.213 -22.766 16.366 1.00 22.02 H new ATOM 0 HD22 LEU A 87 11.731 -24.292 17.144 1.00 22.02 H new ATOM 0 HD23 LEU A 87 13.453 -23.858 17.028 1.00 22.02 H new ATOM 1350 N ASP A 88 14.346 -28.717 14.931 1.00 14.24 N ATOM 1351 CA ASP A 88 15.509 -29.589 15.043 1.00 31.13 C ATOM 1352 C ASP A 88 16.084 -29.907 13.667 1.00 72.44 C ATOM 1353 O ASP A 88 17.300 -29.926 13.480 1.00 21.42 O ATOM 1354 CB ASP A 88 15.134 -30.884 15.765 1.00 23.41 C ATOM 1355 CG ASP A 88 16.150 -31.987 15.541 1.00 43.03 C ATOM 1356 OD1 ASP A 88 17.293 -31.849 16.026 1.00 32.35 O ATOM 1357 OD2 ASP A 88 15.803 -32.988 14.880 1.00 12.11 O ATOM 0 H ASP A 88 13.554 -28.994 15.511 1.00 14.24 H new ATOM 0 HA ASP A 88 16.270 -29.066 15.623 1.00 31.13 H new ATOM 0 HB2 ASP A 88 15.045 -30.688 16.833 1.00 23.41 H new ATOM 0 HB3 ASP A 88 14.156 -31.219 15.419 1.00 23.41 H new ATOM 1362 N ALA A 89 15.201 -30.158 12.706 1.00 54.14 N ATOM 1363 CA ALA A 89 15.620 -30.475 11.346 1.00 1.51 C ATOM 1364 C ALA A 89 15.791 -29.207 10.515 1.00 32.41 C ATOM 1365 O ALA A 89 16.812 -29.020 9.854 1.00 10.04 O ATOM 1366 CB ALA A 89 14.615 -31.408 10.688 1.00 64.43 C ATOM 0 H ALA A 89 14.190 -30.148 12.844 1.00 54.14 H new ATOM 0 HA ALA A 89 16.586 -30.978 11.397 1.00 1.51 H new ATOM 0 HB1 ALA A 89 14.941 -31.636 9.673 1.00 64.43 H new ATOM 0 HB2 ALA A 89 14.545 -32.331 11.263 1.00 64.43 H new ATOM 0 HB3 ALA A 89 13.638 -30.926 10.656 1.00 64.43 H new ATOM 1372 N ALA A 90 14.784 -28.341 10.552 1.00 10.34 N ATOM 1373 CA ALA A 90 14.824 -27.091 9.804 1.00 52.33 C ATOM 1374 C ALA A 90 16.122 -26.335 10.065 1.00 24.32 C ATOM 1375 O ALA A 90 16.631 -25.633 9.191 1.00 15.32 O ATOM 1376 CB ALA A 90 13.625 -26.224 10.160 1.00 5.41 C ATOM 0 H ALA A 90 13.930 -28.482 11.092 1.00 10.34 H new ATOM 0 HA ALA A 90 14.782 -27.331 8.742 1.00 52.33 H new ATOM 0 HB1 ALA A 90 13.668 -25.294 9.594 1.00 5.41 H new ATOM 0 HB2 ALA A 90 12.706 -26.756 9.915 1.00 5.41 H new ATOM 0 HB3 ALA A 90 13.641 -26.001 11.227 1.00 5.41 H new ATOM 1382 N VAL A 91 16.655 -26.484 11.274 1.00 12.31 N ATOM 1383 CA VAL A 91 17.895 -25.816 11.651 1.00 52.54 C ATOM 1384 C VAL A 91 18.985 -26.055 10.612 1.00 23.15 C ATOM 1385 O VAL A 91 19.566 -25.111 10.078 1.00 53.55 O ATOM 1386 CB VAL A 91 18.396 -26.296 13.026 1.00 50.34 C ATOM 1387 CG1 VAL A 91 19.848 -25.894 13.235 1.00 11.42 C ATOM 1388 CG2 VAL A 91 17.515 -25.743 14.136 1.00 45.40 C ATOM 0 H VAL A 91 16.247 -27.062 12.009 1.00 12.31 H new ATOM 0 HA VAL A 91 17.677 -24.749 11.705 1.00 52.54 H new ATOM 0 HB VAL A 91 18.338 -27.384 13.056 1.00 50.34 H new ATOM 0 HG11 VAL A 91 20.185 -26.242 14.212 1.00 11.42 H new ATOM 0 HG12 VAL A 91 20.465 -26.343 12.457 1.00 11.42 H new ATOM 0 HG13 VAL A 91 19.936 -24.809 13.186 1.00 11.42 H new ATOM 0 HG21 VAL A 91 17.883 -26.092 15.101 1.00 45.40 H new ATOM 0 HG22 VAL A 91 17.539 -24.654 14.111 1.00 45.40 H new ATOM 0 HG23 VAL A 91 16.491 -26.087 13.993 1.00 45.40 H new ATOM 1398 N SER A 92 19.259 -27.325 10.332 1.00 74.24 N ATOM 1399 CA SER A 92 20.282 -27.690 9.359 1.00 3.23 C ATOM 1400 C SER A 92 19.699 -27.744 7.951 1.00 73.33 C ATOM 1401 O SER A 92 20.303 -27.253 6.997 1.00 34.35 O ATOM 1402 CB SER A 92 20.900 -29.042 9.720 1.00 30.22 C ATOM 1403 OG SER A 92 21.674 -29.552 8.648 1.00 1.32 O ATOM 0 H SER A 92 18.787 -28.119 10.765 1.00 74.24 H new ATOM 0 HA SER A 92 21.059 -26.926 9.382 1.00 3.23 H new ATOM 0 HB2 SER A 92 21.526 -28.934 10.606 1.00 30.22 H new ATOM 0 HB3 SER A 92 20.111 -29.750 9.972 1.00 30.22 H new ATOM 0 HG SER A 92 22.059 -30.416 8.905 1.00 1.32 H new ATOM 1409 N ALA A 93 18.520 -28.345 7.828 1.00 32.33 N ATOM 1410 CA ALA A 93 17.853 -28.463 6.538 1.00 54.13 C ATOM 1411 C ALA A 93 17.544 -27.089 5.952 1.00 34.22 C ATOM 1412 O ALA A 93 18.052 -26.727 4.891 1.00 61.31 O ATOM 1413 CB ALA A 93 16.576 -29.279 6.676 1.00 60.21 C ATOM 0 H ALA A 93 18.007 -28.758 8.607 1.00 32.33 H new ATOM 0 HA ALA A 93 18.528 -28.978 5.854 1.00 54.13 H new ATOM 0 HB1 ALA A 93 16.088 -29.359 5.704 1.00 60.21 H new ATOM 0 HB2 ALA A 93 16.819 -30.276 7.043 1.00 60.21 H new ATOM 0 HB3 ALA A 93 15.904 -28.787 7.380 1.00 60.21 H new ATOM 1419 N TYR A 94 16.707 -26.329 6.650 1.00 42.32 N ATOM 1420 CA TYR A 94 16.328 -24.996 6.197 1.00 10.40 C ATOM 1421 C TYR A 94 17.560 -24.119 5.992 1.00 73.12 C ATOM 1422 O TYR A 94 17.503 -23.103 5.300 1.00 73.14 O ATOM 1423 CB TYR A 94 15.385 -24.340 7.207 1.00 35.31 C ATOM 1424 CG TYR A 94 14.430 -23.345 6.587 1.00 42.11 C ATOM 1425 CD1 TYR A 94 13.786 -23.624 5.388 1.00 33.32 C ATOM 1426 CD2 TYR A 94 14.172 -22.125 7.201 1.00 62.25 C ATOM 1427 CE1 TYR A 94 12.914 -22.717 4.818 1.00 72.42 C ATOM 1428 CE2 TYR A 94 13.301 -21.213 6.638 1.00 14.21 C ATOM 1429 CZ TYR A 94 12.674 -21.513 5.447 1.00 63.35 C ATOM 1430 OH TYR A 94 11.805 -20.608 4.882 1.00 2.22 O ATOM 0 H TYR A 94 16.278 -26.613 7.531 1.00 42.32 H new ATOM 0 HA TYR A 94 15.813 -25.098 5.242 1.00 10.40 H new ATOM 0 HB2 TYR A 94 14.810 -25.116 7.712 1.00 35.31 H new ATOM 0 HB3 TYR A 94 15.978 -23.835 7.970 1.00 35.31 H new ATOM 0 HD1 TYR A 94 13.970 -24.566 4.893 1.00 33.32 H new ATOM 0 HD2 TYR A 94 14.661 -21.886 8.134 1.00 62.25 H new ATOM 0 HE1 TYR A 94 12.423 -22.949 3.885 1.00 72.42 H new ATOM 0 HE2 TYR A 94 13.112 -20.269 7.128 1.00 14.21 H new ATOM 0 HH TYR A 94 12.212 -19.717 4.887 1.00 2.22 H new ATOM 1440 N GLN A 95 18.672 -24.521 6.598 1.00 32.34 N ATOM 1441 CA GLN A 95 19.918 -23.773 6.483 1.00 51.03 C ATOM 1442 C GLN A 95 20.492 -23.886 5.074 1.00 21.24 C ATOM 1443 O GLN A 95 21.565 -23.356 4.788 1.00 50.04 O ATOM 1444 CB GLN A 95 20.938 -24.279 7.504 1.00 11.23 C ATOM 1445 CG GLN A 95 21.196 -23.303 8.641 1.00 50.22 C ATOM 1446 CD GLN A 95 22.057 -22.129 8.218 1.00 51.12 C ATOM 1447 OE1 GLN A 95 21.962 -21.650 7.087 1.00 21.22 O ATOM 1448 NE2 GLN A 95 22.904 -21.658 9.126 1.00 52.13 N ATOM 0 H GLN A 95 18.736 -25.361 7.174 1.00 32.34 H new ATOM 0 HA GLN A 95 19.703 -22.724 6.685 1.00 51.03 H new ATOM 0 HB2 GLN A 95 20.586 -25.223 7.920 1.00 11.23 H new ATOM 0 HB3 GLN A 95 21.879 -24.486 6.994 1.00 11.23 H new ATOM 0 HG2 GLN A 95 20.244 -22.932 9.020 1.00 50.22 H new ATOM 0 HG3 GLN A 95 21.683 -23.829 9.462 1.00 50.22 H new ATOM 0 HE21 GLN A 95 22.950 -22.085 10.051 1.00 52.13 H new ATOM 0 HE22 GLN A 95 23.509 -20.869 8.898 1.00 52.13 H new ATOM 1457 N GLN A 96 19.771 -24.581 4.201 1.00 54.35 N ATOM 1458 CA GLN A 96 20.210 -24.764 2.822 1.00 12.13 C ATOM 1459 C GLN A 96 20.092 -23.462 2.036 1.00 62.51 C ATOM 1460 O GLN A 96 20.055 -23.470 0.806 1.00 0.32 O ATOM 1461 CB GLN A 96 19.386 -25.860 2.144 1.00 43.13 C ATOM 1462 CG GLN A 96 19.901 -27.264 2.416 1.00 71.21 C ATOM 1463 CD GLN A 96 18.918 -28.338 1.994 1.00 73.13 C ATOM 1464 OE1 GLN A 96 17.778 -28.369 2.458 1.00 33.41 O ATOM 1465 NE2 GLN A 96 19.355 -29.226 1.108 1.00 35.13 N ATOM 0 H GLN A 96 18.881 -25.027 4.423 1.00 54.35 H new ATOM 0 HA GLN A 96 21.258 -25.064 2.837 1.00 12.13 H new ATOM 0 HB2 GLN A 96 18.353 -25.789 2.484 1.00 43.13 H new ATOM 0 HB3 GLN A 96 19.381 -25.686 1.068 1.00 43.13 H new ATOM 0 HG2 GLN A 96 20.843 -27.410 1.887 1.00 71.21 H new ATOM 0 HG3 GLN A 96 20.114 -27.369 3.480 1.00 71.21 H new ATOM 0 HE21 GLN A 96 20.308 -29.162 0.750 1.00 35.13 H new ATOM 0 HE22 GLN A 96 18.738 -29.971 0.786 1.00 35.13 H new ATOM 1474 N GLY A 97 20.033 -22.345 2.755 1.00 65.43 N ATOM 1475 CA GLY A 97 19.920 -21.052 2.107 1.00 10.31 C ATOM 1476 C GLY A 97 18.556 -20.421 2.306 1.00 72.51 C ATOM 1477 O GLY A 97 18.060 -19.711 1.432 1.00 35.30 O ATOM 0 H GLY A 97 20.061 -22.313 3.774 1.00 65.43 H new ATOM 0 HA2 GLY A 97 20.687 -20.384 2.500 1.00 10.31 H new ATOM 0 HA3 GLY A 97 20.112 -21.166 1.040 1.00 10.31 H new ATOM 1481 N ALA A 98 17.947 -20.683 3.458 1.00 1.10 N ATOM 1482 CA ALA A 98 16.632 -20.136 3.769 1.00 42.13 C ATOM 1483 C ALA A 98 16.735 -19.006 4.787 1.00 15.23 C ATOM 1484 O ALA A 98 17.784 -18.800 5.398 1.00 35.12 O ATOM 1485 CB ALA A 98 15.713 -21.233 4.285 1.00 52.21 C ATOM 0 H ALA A 98 18.343 -21.271 4.191 1.00 1.10 H new ATOM 0 HA ALA A 98 16.210 -19.726 2.852 1.00 42.13 H new ATOM 0 HB1 ALA A 98 14.735 -20.810 4.513 1.00 52.21 H new ATOM 0 HB2 ALA A 98 15.606 -22.006 3.524 1.00 52.21 H new ATOM 0 HB3 ALA A 98 16.139 -21.670 5.188 1.00 52.21 H new ATOM 1491 N PHE A 99 15.639 -18.275 4.965 1.00 30.04 N ATOM 1492 CA PHE A 99 15.606 -17.164 5.909 1.00 2.13 C ATOM 1493 C PHE A 99 15.250 -17.651 7.311 1.00 73.23 C ATOM 1494 O PHE A 99 14.535 -18.641 7.473 1.00 42.45 O ATOM 1495 CB PHE A 99 14.597 -16.108 5.452 1.00 23.32 C ATOM 1496 CG PHE A 99 14.315 -15.060 6.490 1.00 33.12 C ATOM 1497 CD1 PHE A 99 15.130 -13.946 6.609 1.00 22.42 C ATOM 1498 CD2 PHE A 99 13.234 -15.189 7.347 1.00 14.23 C ATOM 1499 CE1 PHE A 99 14.873 -12.980 7.563 1.00 12.30 C ATOM 1500 CE2 PHE A 99 12.971 -14.225 8.303 1.00 70.33 C ATOM 1501 CZ PHE A 99 13.792 -13.120 8.412 1.00 62.14 C ATOM 0 H PHE A 99 14.762 -18.432 4.468 1.00 30.04 H new ATOM 0 HA PHE A 99 16.600 -16.717 5.940 1.00 2.13 H new ATOM 0 HB2 PHE A 99 14.973 -15.624 4.551 1.00 23.32 H new ATOM 0 HB3 PHE A 99 13.663 -16.602 5.183 1.00 23.32 H new ATOM 0 HD1 PHE A 99 15.976 -13.831 5.948 1.00 22.42 H new ATOM 0 HD2 PHE A 99 12.590 -16.052 7.268 1.00 14.23 H new ATOM 0 HE1 PHE A 99 15.516 -12.116 7.645 1.00 12.30 H new ATOM 0 HE2 PHE A 99 12.124 -14.336 8.964 1.00 70.33 H new ATOM 0 HZ PHE A 99 13.590 -12.367 9.159 1.00 62.14 H new ATOM 1511 N ASP A 100 15.753 -16.950 8.320 1.00 3.31 N ATOM 1512 CA ASP A 100 15.488 -17.309 9.708 1.00 25.34 C ATOM 1513 C ASP A 100 14.002 -17.570 9.928 1.00 74.30 C ATOM 1514 O ASP A 100 13.182 -16.655 9.849 1.00 0.14 O ATOM 1515 CB ASP A 100 15.968 -16.200 10.645 1.00 0.34 C ATOM 1516 CG ASP A 100 15.892 -16.601 12.105 1.00 34.43 C ATOM 1517 OD1 ASP A 100 16.876 -17.177 12.615 1.00 73.52 O ATOM 1518 OD2 ASP A 100 14.848 -16.339 12.738 1.00 10.15 O ATOM 0 H ASP A 100 16.347 -16.129 8.203 1.00 3.31 H new ATOM 0 HA ASP A 100 16.036 -18.225 9.931 1.00 25.34 H new ATOM 0 HB2 ASP A 100 16.997 -15.938 10.396 1.00 0.34 H new ATOM 0 HB3 ASP A 100 15.364 -15.307 10.485 1.00 0.34 H new ATOM 1523 N TYR A 101 13.661 -18.825 10.202 1.00 13.53 N ATOM 1524 CA TYR A 101 12.272 -19.207 10.430 1.00 42.13 C ATOM 1525 C TYR A 101 11.736 -18.576 11.711 1.00 2.11 C ATOM 1526 O TYR A 101 12.492 -18.012 12.503 1.00 4.21 O ATOM 1527 CB TYR A 101 12.146 -20.729 10.506 1.00 25.44 C ATOM 1528 CG TYR A 101 13.220 -21.384 11.347 1.00 54.13 C ATOM 1529 CD1 TYR A 101 13.406 -21.022 12.675 1.00 31.34 C ATOM 1530 CD2 TYR A 101 14.048 -22.363 10.812 1.00 33.02 C ATOM 1531 CE1 TYR A 101 14.385 -21.617 13.447 1.00 45.00 C ATOM 1532 CE2 TYR A 101 15.029 -22.964 11.577 1.00 72.24 C ATOM 1533 CZ TYR A 101 15.194 -22.588 12.893 1.00 11.32 C ATOM 1534 OH TYR A 101 16.171 -23.183 13.658 1.00 61.14 O ATOM 0 H TYR A 101 14.327 -19.594 10.272 1.00 13.53 H new ATOM 0 HA TYR A 101 11.679 -18.841 9.592 1.00 42.13 H new ATOM 0 HB2 TYR A 101 11.169 -20.984 10.916 1.00 25.44 H new ATOM 0 HB3 TYR A 101 12.185 -21.139 9.497 1.00 25.44 H new ATOM 0 HD1 TYR A 101 12.774 -20.262 13.112 1.00 31.34 H new ATOM 0 HD2 TYR A 101 13.923 -22.659 9.781 1.00 33.02 H new ATOM 0 HE1 TYR A 101 14.516 -21.324 14.478 1.00 45.00 H new ATOM 0 HE2 TYR A 101 15.663 -23.725 11.146 1.00 72.24 H new ATOM 0 HH TYR A 101 15.888 -23.198 14.596 1.00 61.14 H new ATOM 1544 N LEU A 102 10.426 -18.676 11.909 1.00 44.32 N ATOM 1545 CA LEU A 102 9.787 -18.116 13.094 1.00 14.03 C ATOM 1546 C LEU A 102 8.938 -19.167 13.803 1.00 70.04 C ATOM 1547 O LEU A 102 8.074 -19.809 13.205 1.00 63.14 O ATOM 1548 CB LEU A 102 8.918 -16.916 12.711 1.00 22.41 C ATOM 1549 CG LEU A 102 7.754 -16.603 13.651 1.00 10.15 C ATOM 1550 CD1 LEU A 102 8.259 -15.943 14.925 1.00 3.00 C ATOM 1551 CD2 LEU A 102 6.732 -15.714 12.957 1.00 22.23 C ATOM 0 H LEU A 102 9.786 -19.140 11.264 1.00 44.32 H new ATOM 0 HA LEU A 102 10.570 -17.786 13.777 1.00 14.03 H new ATOM 0 HB2 LEU A 102 9.557 -16.035 12.650 1.00 22.41 H new ATOM 0 HB3 LEU A 102 8.516 -17.088 11.712 1.00 22.41 H new ATOM 0 HG LEU A 102 7.267 -17.541 13.920 1.00 10.15 H new ATOM 0 HD11 LEU A 102 7.416 -15.728 15.582 1.00 3.00 H new ATOM 0 HD12 LEU A 102 8.952 -16.614 15.432 1.00 3.00 H new ATOM 0 HD13 LEU A 102 8.771 -15.014 14.675 1.00 3.00 H new ATOM 0 HD21 LEU A 102 5.910 -15.501 13.641 1.00 22.23 H new ATOM 0 HD22 LEU A 102 7.206 -14.779 12.658 1.00 22.23 H new ATOM 0 HD23 LEU A 102 6.346 -16.224 12.074 1.00 22.23 H new ATOM 1563 N PRO A 103 9.186 -19.347 15.108 1.00 4.24 N ATOM 1564 CA PRO A 103 8.454 -20.317 15.927 1.00 33.04 C ATOM 1565 C PRO A 103 7.005 -19.902 16.160 1.00 72.52 C ATOM 1566 O PRO A 103 6.668 -18.720 16.092 1.00 33.22 O ATOM 1567 CB PRO A 103 9.227 -20.322 17.248 1.00 10.14 C ATOM 1568 CG PRO A 103 9.883 -18.986 17.308 1.00 14.55 C ATOM 1569 CD PRO A 103 10.201 -18.616 15.886 1.00 23.30 C ATOM 0 HA PRO A 103 8.397 -21.294 15.447 1.00 33.04 H new ATOM 0 HB2 PRO A 103 8.560 -20.474 18.096 1.00 10.14 H new ATOM 0 HB3 PRO A 103 9.963 -21.126 17.273 1.00 10.14 H new ATOM 0 HG2 PRO A 103 9.224 -18.248 17.765 1.00 14.55 H new ATOM 0 HG3 PRO A 103 10.789 -19.023 17.913 1.00 14.55 H new ATOM 0 HD2 PRO A 103 10.132 -17.540 15.726 1.00 23.30 H new ATOM 0 HD3 PRO A 103 11.212 -18.915 15.609 1.00 23.30 H new ATOM 1577 N LYS A 104 6.151 -20.883 16.435 1.00 53.54 N ATOM 1578 CA LYS A 104 4.737 -20.620 16.679 1.00 24.22 C ATOM 1579 C LYS A 104 4.297 -21.214 18.013 1.00 12.45 C ATOM 1580 O LYS A 104 4.723 -22.299 18.408 1.00 33.32 O ATOM 1581 CB LYS A 104 3.887 -21.198 15.546 1.00 34.40 C ATOM 1582 CG LYS A 104 4.001 -22.707 15.409 1.00 52.24 C ATOM 1583 CD LYS A 104 2.638 -23.377 15.466 1.00 41.45 C ATOM 1584 CE LYS A 104 2.034 -23.293 16.859 1.00 53.02 C ATOM 1585 NZ LYS A 104 2.662 -24.266 17.795 1.00 0.42 N ATOM 0 H LYS A 104 6.413 -21.867 16.494 1.00 53.54 H new ATOM 0 HA LYS A 104 4.594 -19.540 16.717 1.00 24.22 H new ATOM 0 HB2 LYS A 104 2.843 -20.935 15.716 1.00 34.40 H new ATOM 0 HB3 LYS A 104 4.184 -20.733 14.606 1.00 34.40 H new ATOM 0 HG2 LYS A 104 4.488 -22.952 14.465 1.00 52.24 H new ATOM 0 HG3 LYS A 104 4.634 -23.099 16.206 1.00 52.24 H new ATOM 0 HD2 LYS A 104 1.968 -22.903 14.749 1.00 41.45 H new ATOM 0 HD3 LYS A 104 2.733 -24.422 15.172 1.00 41.45 H new ATOM 0 HE2 LYS A 104 2.158 -22.283 17.248 1.00 53.02 H new ATOM 0 HE3 LYS A 104 0.962 -23.483 16.802 1.00 53.02 H new ATOM 0 HZ1 LYS A 104 1.977 -24.530 18.532 1.00 0.42 H new ATOM 0 HZ2 LYS A 104 2.950 -25.116 17.270 1.00 0.42 H new ATOM 0 HZ3 LYS A 104 3.497 -23.832 18.238 1.00 0.42 H new ATOM 1599 N PRO A 105 3.422 -20.487 18.725 1.00 25.24 N ATOM 1600 CA PRO A 105 2.909 -19.193 18.266 1.00 61.31 C ATOM 1601 C PRO A 105 3.978 -18.106 18.285 1.00 53.32 C ATOM 1602 O PRO A 105 5.139 -18.368 18.598 1.00 63.23 O ATOM 1603 CB PRO A 105 1.802 -18.873 19.273 1.00 1.24 C ATOM 1604 CG PRO A 105 2.183 -19.620 20.505 1.00 51.21 C ATOM 1605 CD PRO A 105 2.868 -20.873 20.034 1.00 41.30 C ATOM 0 HA PRO A 105 2.565 -19.234 17.233 1.00 61.31 H new ATOM 0 HB2 PRO A 105 1.738 -17.802 19.464 1.00 1.24 H new ATOM 0 HB3 PRO A 105 0.827 -19.190 18.903 1.00 1.24 H new ATOM 0 HG2 PRO A 105 2.846 -19.025 21.133 1.00 51.21 H new ATOM 0 HG3 PRO A 105 1.304 -19.857 21.105 1.00 51.21 H new ATOM 0 HD2 PRO A 105 3.650 -21.187 20.725 1.00 41.30 H new ATOM 0 HD3 PRO A 105 2.169 -21.704 19.945 1.00 41.30 H new ATOM 1613 N PHE A 106 3.578 -16.884 17.949 1.00 51.24 N ATOM 1614 CA PHE A 106 4.502 -15.756 17.927 1.00 61.04 C ATOM 1615 C PHE A 106 3.753 -14.436 18.078 1.00 14.44 C ATOM 1616 O PHE A 106 2.522 -14.405 18.084 1.00 31.22 O ATOM 1617 CB PHE A 106 5.305 -15.753 16.624 1.00 3.23 C ATOM 1618 CG PHE A 106 4.448 -15.785 15.391 1.00 21.33 C ATOM 1619 CD1 PHE A 106 3.728 -14.667 15.003 1.00 75.41 C ATOM 1620 CD2 PHE A 106 4.363 -16.933 14.620 1.00 24.55 C ATOM 1621 CE1 PHE A 106 2.937 -14.695 13.869 1.00 25.03 C ATOM 1622 CE2 PHE A 106 3.575 -16.967 13.485 1.00 3.14 C ATOM 1623 CZ PHE A 106 2.862 -15.846 13.109 1.00 42.31 C ATOM 0 H PHE A 106 2.620 -16.650 17.688 1.00 51.24 H new ATOM 0 HA PHE A 106 5.187 -15.863 18.768 1.00 61.04 H new ATOM 0 HB2 PHE A 106 5.934 -14.863 16.596 1.00 3.23 H new ATOM 0 HB3 PHE A 106 5.972 -16.615 16.616 1.00 3.23 H new ATOM 0 HD1 PHE A 106 3.785 -13.764 15.592 1.00 75.41 H new ATOM 0 HD2 PHE A 106 4.919 -17.812 14.909 1.00 24.55 H new ATOM 0 HE1 PHE A 106 2.378 -13.818 13.578 1.00 25.03 H new ATOM 0 HE2 PHE A 106 3.517 -17.869 12.893 1.00 3.14 H new ATOM 0 HZ PHE A 106 2.246 -15.869 12.222 1.00 42.31 H new ATOM 1633 N ASP A 107 4.504 -13.347 18.201 1.00 13.15 N ATOM 1634 CA ASP A 107 3.912 -12.023 18.353 1.00 52.31 C ATOM 1635 C ASP A 107 3.730 -11.350 16.996 1.00 61.23 C ATOM 1636 O ASP A 107 4.705 -11.043 16.309 1.00 0.11 O ATOM 1637 CB ASP A 107 4.786 -11.150 19.255 1.00 35.35 C ATOM 1638 CG ASP A 107 5.224 -11.875 20.513 1.00 53.01 C ATOM 1639 OD1 ASP A 107 4.395 -12.605 21.097 1.00 62.14 O ATOM 1640 OD2 ASP A 107 6.395 -11.713 20.913 1.00 44.22 O ATOM 0 H ASP A 107 5.524 -13.355 18.198 1.00 13.15 H new ATOM 0 HA ASP A 107 2.932 -12.142 18.815 1.00 52.31 H new ATOM 0 HB2 ASP A 107 5.667 -10.827 18.700 1.00 35.35 H new ATOM 0 HB3 ASP A 107 4.235 -10.251 19.530 1.00 35.35 H new ATOM 1645 N ILE A 108 2.477 -11.126 16.615 1.00 10.13 N ATOM 1646 CA ILE A 108 2.168 -10.490 15.341 1.00 63.15 C ATOM 1647 C ILE A 108 3.030 -9.252 15.121 1.00 3.50 C ATOM 1648 O ILE A 108 3.381 -8.919 13.989 1.00 73.25 O ATOM 1649 CB ILE A 108 0.684 -10.090 15.256 1.00 55.01 C ATOM 1650 CG1 ILE A 108 -0.193 -11.332 15.083 1.00 61.24 C ATOM 1651 CG2 ILE A 108 0.462 -9.115 14.109 1.00 3.23 C ATOM 1652 CD1 ILE A 108 -1.587 -11.172 15.647 1.00 51.51 C ATOM 0 H ILE A 108 1.659 -11.376 17.171 1.00 10.13 H new ATOM 0 HA ILE A 108 2.383 -11.223 14.563 1.00 63.15 H new ATOM 0 HB ILE A 108 0.403 -9.596 16.186 1.00 55.01 H new ATOM 0 HG12 ILE A 108 -0.265 -11.571 14.022 1.00 61.24 H new ATOM 0 HG13 ILE A 108 0.291 -12.179 15.569 1.00 61.24 H new ATOM 0 HG21 ILE A 108 -0.592 -8.842 14.062 1.00 3.23 H new ATOM 0 HG22 ILE A 108 1.062 -8.220 14.271 1.00 3.23 H new ATOM 0 HG23 ILE A 108 0.757 -9.584 13.170 1.00 3.23 H new ATOM 0 HD11 ILE A 108 -2.151 -12.091 15.489 1.00 51.51 H new ATOM 0 HD12 ILE A 108 -1.526 -10.963 16.715 1.00 51.51 H new ATOM 0 HD13 ILE A 108 -2.090 -10.346 15.144 1.00 51.51 H new ATOM 1664 N ASP A 109 3.370 -8.573 16.212 1.00 61.35 N ATOM 1665 CA ASP A 109 4.194 -7.372 16.139 1.00 23.42 C ATOM 1666 C ASP A 109 5.558 -7.685 15.532 1.00 24.11 C ATOM 1667 O ASP A 109 6.070 -6.927 14.709 1.00 1.23 O ATOM 1668 CB ASP A 109 4.369 -6.764 17.531 1.00 2.53 C ATOM 1669 CG ASP A 109 4.949 -5.364 17.482 1.00 1.43 C ATOM 1670 OD1 ASP A 109 4.173 -4.406 17.279 1.00 70.33 O ATOM 1671 OD2 ASP A 109 6.179 -5.225 17.648 1.00 32.13 O ATOM 0 H ASP A 109 3.088 -8.834 17.157 1.00 61.35 H new ATOM 0 HA ASP A 109 3.688 -6.651 15.497 1.00 23.42 H new ATOM 0 HB2 ASP A 109 3.404 -6.737 18.036 1.00 2.53 H new ATOM 0 HB3 ASP A 109 5.022 -7.404 18.125 1.00 2.53 H new ATOM 1676 N GLU A 110 6.141 -8.806 15.945 1.00 24.22 N ATOM 1677 CA GLU A 110 7.447 -9.217 15.443 1.00 61.32 C ATOM 1678 C GLU A 110 7.322 -9.862 14.066 1.00 72.35 C ATOM 1679 O GLU A 110 8.219 -9.748 13.231 1.00 51.00 O ATOM 1680 CB GLU A 110 8.109 -10.194 16.417 1.00 32.02 C ATOM 1681 CG GLU A 110 9.156 -9.549 17.309 1.00 42.52 C ATOM 1682 CD GLU A 110 10.312 -10.480 17.619 1.00 10.34 C ATOM 1683 OE1 GLU A 110 10.813 -11.135 16.682 1.00 62.31 O ATOM 1684 OE2 GLU A 110 10.715 -10.553 18.799 1.00 71.31 O ATOM 0 H GLU A 110 5.730 -9.445 16.625 1.00 24.22 H new ATOM 0 HA GLU A 110 8.069 -8.327 15.354 1.00 61.32 H new ATOM 0 HB2 GLU A 110 7.340 -10.647 17.043 1.00 32.02 H new ATOM 0 HB3 GLU A 110 8.574 -11.000 15.850 1.00 32.02 H new ATOM 0 HG2 GLU A 110 9.538 -8.651 16.824 1.00 42.52 H new ATOM 0 HG3 GLU A 110 8.689 -9.233 18.242 1.00 42.52 H new ATOM 1691 N ALA A 111 6.202 -10.541 13.836 1.00 3.31 N ATOM 1692 CA ALA A 111 5.958 -11.203 12.561 1.00 41.13 C ATOM 1693 C ALA A 111 5.809 -10.186 11.434 1.00 63.21 C ATOM 1694 O ALA A 111 6.544 -10.226 10.447 1.00 22.21 O ATOM 1695 CB ALA A 111 4.718 -12.080 12.650 1.00 12.42 C ATOM 0 H ALA A 111 5.450 -10.647 14.517 1.00 3.31 H new ATOM 0 HA ALA A 111 6.819 -11.832 12.336 1.00 41.13 H new ATOM 0 HB1 ALA A 111 4.548 -12.568 11.690 1.00 12.42 H new ATOM 0 HB2 ALA A 111 4.862 -12.836 13.422 1.00 12.42 H new ATOM 0 HB3 ALA A 111 3.854 -11.465 12.902 1.00 12.42 H new ATOM 1701 N VAL A 112 4.853 -9.275 11.587 1.00 22.51 N ATOM 1702 CA VAL A 112 4.608 -8.248 10.582 1.00 3.34 C ATOM 1703 C VAL A 112 5.900 -7.532 10.203 1.00 54.34 C ATOM 1704 O VAL A 112 6.071 -7.103 9.062 1.00 63.21 O ATOM 1705 CB VAL A 112 3.585 -7.209 11.080 1.00 65.13 C ATOM 1706 CG1 VAL A 112 3.617 -5.967 10.203 1.00 54.51 C ATOM 1707 CG2 VAL A 112 2.189 -7.812 11.115 1.00 2.33 C ATOM 0 H VAL A 112 4.236 -9.228 12.398 1.00 22.51 H new ATOM 0 HA VAL A 112 4.204 -8.753 9.704 1.00 3.34 H new ATOM 0 HB VAL A 112 3.854 -6.915 12.094 1.00 65.13 H new ATOM 0 HG11 VAL A 112 2.888 -5.244 10.569 1.00 54.51 H new ATOM 0 HG12 VAL A 112 4.613 -5.526 10.234 1.00 54.51 H new ATOM 0 HG13 VAL A 112 3.373 -6.240 9.176 1.00 54.51 H new ATOM 0 HG21 VAL A 112 1.479 -7.065 11.469 1.00 2.33 H new ATOM 0 HG22 VAL A 112 1.907 -8.135 10.113 1.00 2.33 H new ATOM 0 HG23 VAL A 112 2.180 -8.669 11.788 1.00 2.33 H new ATOM 1717 N ALA A 113 6.806 -7.406 11.167 1.00 74.12 N ATOM 1718 CA ALA A 113 8.083 -6.744 10.933 1.00 21.21 C ATOM 1719 C ALA A 113 9.104 -7.713 10.347 1.00 23.31 C ATOM 1720 O ALA A 113 9.984 -7.316 9.582 1.00 63.41 O ATOM 1721 CB ALA A 113 8.608 -6.139 12.226 1.00 24.15 C ATOM 0 H ALA A 113 6.679 -7.754 12.117 1.00 74.12 H new ATOM 0 HA ALA A 113 7.923 -5.945 10.209 1.00 21.21 H new ATOM 0 HB1 ALA A 113 9.562 -5.648 12.037 1.00 24.15 H new ATOM 0 HB2 ALA A 113 7.892 -5.408 12.603 1.00 24.15 H new ATOM 0 HB3 ALA A 113 8.746 -6.927 12.967 1.00 24.15 H new ATOM 1727 N LEU A 114 8.983 -8.985 10.711 1.00 74.10 N ATOM 1728 CA LEU A 114 9.896 -10.012 10.222 1.00 42.35 C ATOM 1729 C LEU A 114 9.818 -10.131 8.703 1.00 43.32 C ATOM 1730 O LEU A 114 10.838 -10.276 8.028 1.00 54.42 O ATOM 1731 CB LEU A 114 9.573 -11.360 10.867 1.00 33.14 C ATOM 1732 CG LEU A 114 10.390 -12.554 10.373 1.00 33.31 C ATOM 1733 CD1 LEU A 114 11.784 -12.535 10.980 1.00 32.55 C ATOM 1734 CD2 LEU A 114 9.680 -13.859 10.703 1.00 72.31 C ATOM 0 H LEU A 114 8.261 -9.330 11.344 1.00 74.10 H new ATOM 0 HA LEU A 114 10.910 -9.720 10.494 1.00 42.35 H new ATOM 0 HB2 LEU A 114 9.716 -11.268 11.944 1.00 33.14 H new ATOM 0 HB3 LEU A 114 8.517 -11.575 10.703 1.00 33.14 H new ATOM 0 HG LEU A 114 10.487 -12.480 9.290 1.00 33.31 H new ATOM 0 HD11 LEU A 114 12.351 -13.392 10.617 1.00 32.55 H new ATOM 0 HD12 LEU A 114 12.293 -11.615 10.693 1.00 32.55 H new ATOM 0 HD13 LEU A 114 11.709 -12.584 12.066 1.00 32.55 H new ATOM 0 HD21 LEU A 114 10.276 -14.698 10.344 1.00 72.31 H new ATOM 0 HD22 LEU A 114 9.552 -13.940 11.782 1.00 72.31 H new ATOM 0 HD23 LEU A 114 8.703 -13.874 10.219 1.00 72.31 H new ATOM 1746 N VAL A 115 8.602 -10.066 8.171 1.00 72.41 N ATOM 1747 CA VAL A 115 8.391 -10.164 6.732 1.00 54.55 C ATOM 1748 C VAL A 115 8.932 -8.933 6.012 1.00 13.15 C ATOM 1749 O VAL A 115 9.502 -9.037 4.927 1.00 22.42 O ATOM 1750 CB VAL A 115 6.897 -10.327 6.393 1.00 11.11 C ATOM 1751 CG1 VAL A 115 6.087 -9.184 6.985 1.00 11.33 C ATOM 1752 CG2 VAL A 115 6.698 -10.408 4.887 1.00 21.12 C ATOM 0 H VAL A 115 7.748 -9.946 8.715 1.00 72.41 H new ATOM 0 HA VAL A 115 8.932 -11.048 6.393 1.00 54.55 H new ATOM 0 HB VAL A 115 6.542 -11.259 6.834 1.00 11.11 H new ATOM 0 HG11 VAL A 115 5.034 -9.316 6.735 1.00 11.33 H new ATOM 0 HG12 VAL A 115 6.205 -9.178 8.069 1.00 11.33 H new ATOM 0 HG13 VAL A 115 6.441 -8.237 6.576 1.00 11.33 H new ATOM 0 HG21 VAL A 115 5.637 -10.523 4.666 1.00 21.12 H new ATOM 0 HG22 VAL A 115 7.069 -9.495 4.421 1.00 21.12 H new ATOM 0 HG23 VAL A 115 7.246 -11.264 4.493 1.00 21.12 H new ATOM 1762 N GLU A 116 8.749 -7.768 6.626 1.00 52.33 N ATOM 1763 CA GLU A 116 9.219 -6.516 6.043 1.00 71.51 C ATOM 1764 C GLU A 116 10.738 -6.519 5.901 1.00 63.40 C ATOM 1765 O GLU A 116 11.293 -5.833 5.043 1.00 5.53 O ATOM 1766 CB GLU A 116 8.778 -5.330 6.903 1.00 24.21 C ATOM 1767 CG GLU A 116 7.407 -4.788 6.536 1.00 44.24 C ATOM 1768 CD GLU A 116 7.365 -3.272 6.518 1.00 22.10 C ATOM 1769 OE1 GLU A 116 8.146 -2.649 7.268 1.00 53.22 O ATOM 1770 OE2 GLU A 116 6.552 -2.709 5.755 1.00 22.54 O ATOM 0 H GLU A 116 8.279 -7.665 7.526 1.00 52.33 H new ATOM 0 HA GLU A 116 8.779 -6.419 5.051 1.00 71.51 H new ATOM 0 HB2 GLU A 116 8.771 -5.634 7.950 1.00 24.21 H new ATOM 0 HB3 GLU A 116 9.513 -4.530 6.808 1.00 24.21 H new ATOM 0 HG2 GLU A 116 7.121 -5.167 5.555 1.00 44.24 H new ATOM 0 HG3 GLU A 116 6.671 -5.160 7.249 1.00 44.24 H new ATOM 1777 N ARG A 117 11.404 -7.297 6.749 1.00 43.34 N ATOM 1778 CA ARG A 117 12.859 -7.388 6.720 1.00 61.14 C ATOM 1779 C ARG A 117 13.335 -8.071 5.441 1.00 64.21 C ATOM 1780 O ARG A 117 14.406 -7.760 4.921 1.00 43.40 O ATOM 1781 CB ARG A 117 13.368 -8.156 7.941 1.00 74.42 C ATOM 1782 CG ARG A 117 14.787 -8.678 7.785 1.00 75.35 C ATOM 1783 CD ARG A 117 15.573 -8.552 9.080 1.00 15.41 C ATOM 1784 NE ARG A 117 16.734 -7.678 8.933 1.00 71.55 N ATOM 1785 CZ ARG A 117 17.550 -7.366 9.933 1.00 42.12 C ATOM 1786 NH1 ARG A 117 17.333 -7.853 11.147 1.00 64.03 N ATOM 1787 NH2 ARG A 117 18.586 -6.565 9.720 1.00 43.24 N ATOM 0 H ARG A 117 10.959 -7.873 7.464 1.00 43.34 H new ATOM 0 HA ARG A 117 13.262 -6.376 6.743 1.00 61.14 H new ATOM 0 HB2 ARG A 117 13.324 -7.504 8.814 1.00 74.42 H new ATOM 0 HB3 ARG A 117 12.701 -8.995 8.136 1.00 74.42 H new ATOM 0 HG2 ARG A 117 14.759 -9.723 7.475 1.00 75.35 H new ATOM 0 HG3 ARG A 117 15.295 -8.125 6.995 1.00 75.35 H new ATOM 0 HD2 ARG A 117 14.922 -8.162 9.862 1.00 15.41 H new ATOM 0 HD3 ARG A 117 15.902 -9.540 9.402 1.00 15.41 H new ATOM 0 HE ARG A 117 16.929 -7.286 8.012 1.00 71.55 H new ATOM 0 HH11 ARG A 117 16.538 -8.469 11.315 1.00 64.03 H new ATOM 0 HH12 ARG A 117 17.962 -7.612 11.913 1.00 64.03 H new ATOM 0 HH21 ARG A 117 18.756 -6.188 8.788 1.00 43.24 H new ATOM 0 HH22 ARG A 117 19.212 -6.326 10.489 1.00 43.24 H new ATOM 1801 N ALA A 118 12.532 -9.004 4.940 1.00 24.43 N ATOM 1802 CA ALA A 118 12.871 -9.730 3.723 1.00 70.35 C ATOM 1803 C ALA A 118 12.448 -8.950 2.483 1.00 44.44 C ATOM 1804 O ALA A 118 13.155 -8.939 1.474 1.00 75.32 O ATOM 1805 CB ALA A 118 12.220 -11.106 3.730 1.00 43.42 C ATOM 0 H ALA A 118 11.642 -9.275 5.359 1.00 24.43 H new ATOM 0 HA ALA A 118 13.954 -9.852 3.692 1.00 70.35 H new ATOM 0 HB1 ALA A 118 12.482 -11.637 2.815 1.00 43.42 H new ATOM 0 HB2 ALA A 118 12.574 -11.672 4.592 1.00 43.42 H new ATOM 0 HB3 ALA A 118 11.137 -10.996 3.788 1.00 43.42 H new ATOM 1811 N ILE A 119 11.293 -8.298 2.565 1.00 64.04 N ATOM 1812 CA ILE A 119 10.778 -7.515 1.449 1.00 50.43 C ATOM 1813 C ILE A 119 11.565 -6.220 1.276 1.00 14.45 C ATOM 1814 O ILE A 119 12.087 -5.937 0.198 1.00 31.32 O ATOM 1815 CB ILE A 119 9.288 -7.175 1.640 1.00 71.42 C ATOM 1816 CG1 ILE A 119 8.465 -8.457 1.784 1.00 71.22 C ATOM 1817 CG2 ILE A 119 8.780 -6.342 0.472 1.00 25.04 C ATOM 1818 CD1 ILE A 119 7.173 -8.264 2.547 1.00 4.40 C ATOM 0 H ILE A 119 10.697 -8.297 3.392 1.00 64.04 H new ATOM 0 HA ILE A 119 10.891 -8.128 0.555 1.00 50.43 H new ATOM 0 HB ILE A 119 9.178 -6.590 2.553 1.00 71.42 H new ATOM 0 HG12 ILE A 119 8.237 -8.846 0.792 1.00 71.22 H new ATOM 0 HG13 ILE A 119 9.068 -9.211 2.291 1.00 71.22 H new ATOM 0 HG21 ILE A 119 7.726 -6.110 0.622 1.00 25.04 H new ATOM 0 HG22 ILE A 119 9.350 -5.415 0.411 1.00 25.04 H new ATOM 0 HG23 ILE A 119 8.900 -6.903 -0.455 1.00 25.04 H new ATOM 0 HD11 ILE A 119 6.642 -9.214 2.610 1.00 4.40 H new ATOM 0 HD12 ILE A 119 7.394 -7.905 3.552 1.00 4.40 H new ATOM 0 HD13 ILE A 119 6.550 -7.534 2.030 1.00 4.40 H new ATOM 1830 N SER A 120 11.646 -5.436 2.347 1.00 23.43 N ATOM 1831 CA SER A 120 12.368 -4.170 2.315 1.00 51.35 C ATOM 1832 C SER A 120 13.812 -4.379 1.869 1.00 1.51 C ATOM 1833 O SER A 120 14.448 -3.468 1.337 1.00 53.12 O ATOM 1834 CB SER A 120 12.338 -3.506 3.693 1.00 42.24 C ATOM 1835 OG SER A 120 11.007 -3.319 4.140 1.00 33.11 O ATOM 0 H SER A 120 11.220 -5.656 3.247 1.00 23.43 H new ATOM 0 HA SER A 120 11.875 -3.517 1.595 1.00 51.35 H new ATOM 0 HB2 SER A 120 12.882 -4.122 4.409 1.00 42.24 H new ATOM 0 HB3 SER A 120 12.848 -2.544 3.648 1.00 42.24 H new ATOM 0 HG SER A 120 10.701 -4.127 4.603 1.00 33.11 H new ATOM 1841 N HIS A 121 14.325 -5.585 2.091 1.00 54.22 N ATOM 1842 CA HIS A 121 15.694 -5.915 1.712 1.00 31.12 C ATOM 1843 C HIS A 121 15.935 -5.620 0.235 1.00 44.20 C ATOM 1844 O HIS A 121 17.064 -5.353 -0.179 1.00 21.34 O ATOM 1845 CB HIS A 121 15.985 -7.387 2.004 1.00 22.42 C ATOM 1846 CG HIS A 121 17.434 -7.748 1.880 1.00 54.44 C ATOM 1847 ND1 HIS A 121 17.979 -8.290 0.735 1.00 54.52 N ATOM 1848 CD2 HIS A 121 18.452 -7.639 2.764 1.00 2.14 C ATOM 1849 CE1 HIS A 121 19.269 -8.500 0.921 1.00 23.44 C ATOM 1850 NE2 HIS A 121 19.582 -8.114 2.145 1.00 41.51 N ATOM 0 H HIS A 121 13.813 -6.350 2.531 1.00 54.22 H new ATOM 0 HA HIS A 121 16.368 -5.295 2.303 1.00 31.12 H new ATOM 0 HB2 HIS A 121 15.645 -7.623 3.013 1.00 22.42 H new ATOM 0 HB3 HIS A 121 15.405 -8.006 1.320 1.00 22.42 H new ATOM 0 HD1 HIS A 121 17.466 -8.496 -0.122 1.00 54.52 H new ATOM 0 HD2 HIS A 121 18.388 -7.251 3.770 1.00 2.14 H new ATOM 0 HE1 HIS A 121 19.952 -8.917 0.196 1.00 23.44 H new ATOM 1858 N TYR A 122 14.869 -5.670 -0.555 1.00 51.22 N ATOM 1859 CA TYR A 122 14.966 -5.411 -1.987 1.00 15.21 C ATOM 1860 C TYR A 122 14.426 -4.025 -2.328 1.00 35.24 C ATOM 1861 O TYR A 122 14.892 -3.380 -3.266 1.00 12.42 O ATOM 1862 CB TYR A 122 14.199 -6.476 -2.772 1.00 70.40 C ATOM 1863 CG TYR A 122 14.442 -7.885 -2.278 1.00 1.40 C ATOM 1864 CD1 TYR A 122 15.685 -8.488 -2.424 1.00 5.34 C ATOM 1865 CD2 TYR A 122 13.429 -8.612 -1.667 1.00 32.35 C ATOM 1866 CE1 TYR A 122 15.912 -9.774 -1.974 1.00 63.44 C ATOM 1867 CE2 TYR A 122 13.647 -9.899 -1.213 1.00 11.30 C ATOM 1868 CZ TYR A 122 14.890 -10.475 -1.369 1.00 61.54 C ATOM 1869 OH TYR A 122 15.111 -11.757 -0.920 1.00 70.32 O ATOM 0 H TYR A 122 13.927 -5.887 -0.229 1.00 51.22 H new ATOM 0 HA TYR A 122 16.019 -5.450 -2.267 1.00 15.21 H new ATOM 0 HB2 TYR A 122 13.132 -6.259 -2.716 1.00 70.40 H new ATOM 0 HB3 TYR A 122 14.482 -6.415 -3.823 1.00 70.40 H new ATOM 0 HD1 TYR A 122 16.488 -7.942 -2.897 1.00 5.34 H new ATOM 0 HD2 TYR A 122 12.454 -8.164 -1.544 1.00 32.35 H new ATOM 0 HE1 TYR A 122 16.884 -10.228 -2.095 1.00 63.44 H new ATOM 0 HE2 TYR A 122 12.848 -10.450 -0.739 1.00 11.30 H new ATOM 0 HH TYR A 122 15.047 -12.383 -1.672 1.00 70.32 H new