USER MOD reduce.3.24.130724 H: found=0, std=0, add=940, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 938 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 70 LYS NZ :NH3+ 145:sc= -0.164 (180deg=-0.164) USER MOD Set 1.2: A 73 HIS : no HE2:sc= -25.7! C(o=-26!,f=-30!) USER MOD Set 2.1: A 37 ASN : amide:sc= -4.39! C(o=-17!,f=-31!) USER MOD Set 2.2: A 68 GLN : amide:sc= -12.3! C(o=-17!,f=-22!) 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 USER MOD Single : A 30 CYS SG : rot -59:sc= -3.29! USER MOD Single : A 31 THR OG1 : rot 176:sc= 0.769 USER MOD Single : A 32 THR OG1 : rot -119:sc= -5.8! USER MOD Single : A 35 ASN :FLIP amide:sc= -1.62 F(o=-2.7!,f=-1.6) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -119:sc= -3.81! USER MOD Single : A 53 SER OG : rot 80:sc= -1.53! USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 GLN : amide:sc= -2.73 K(o=-2.7,f=-10!) USER MOD Single : A 75 MET CE :methyl -159:sc= -0.153 (180deg=-0.393) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 79:sc= -0.339! USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot -114:sc= 0.0245 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.0134 K(o=-0.013,f=-2.8!) USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 101 TYR OH : rot 180:sc= -2.33! USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 SER OG : rot 180:sc= 0.0933 USER MOD Single : A 121 HIS : no HD1:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 37 N ARG A 3 -9.636 -12.659 -14.455 1.00 0.00 N ATOM 38 CA ARG A 3 -9.689 -12.456 -12.980 1.00 0.00 C ATOM 39 C ARG A 3 -8.305 -12.048 -12.475 1.00 0.00 C ATOM 40 O ARG A 3 -7.338 -12.056 -13.214 1.00 0.00 O ATOM 41 CB ARG A 3 -10.118 -13.760 -12.305 1.00 0.00 C ATOM 42 CG ARG A 3 -11.641 -13.892 -12.370 1.00 0.00 C ATOM 43 CD ARG A 3 -12.016 -14.963 -13.395 1.00 0.00 C ATOM 44 NE ARG A 3 -11.874 -16.310 -12.775 1.00 0.00 N ATOM 45 CZ ARG A 3 -12.937 -17.008 -12.485 1.00 0.00 C ATOM 46 NH1 ARG A 3 -13.668 -16.684 -11.452 1.00 0.00 N ATOM 47 NH2 ARG A 3 -13.268 -18.029 -13.225 1.00 0.00 N ATOM 0 HA ARG A 3 -10.407 -11.671 -12.742 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -9.647 -14.610 -12.800 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.785 -13.771 -11.267 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -12.036 -14.158 -11.389 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -12.088 -12.937 -12.646 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -13.040 -14.813 -13.736 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -11.373 -14.884 -14.272 1.00 0.00 H new ATOM 0 HE ARG A 3 -10.947 -16.686 -12.577 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -13.407 -15.886 -10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -14.499 -17.229 -11.224 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.696 -18.282 -14.031 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -14.099 -18.575 -12.998 1.00 0.00 H new ATOM 61 N GLY A 4 -8.196 -11.689 -11.225 1.00 0.00 N ATOM 62 CA GLY A 4 -6.868 -11.282 -10.689 1.00 0.00 C ATOM 63 C GLY A 4 -7.035 -10.525 -9.368 1.00 0.00 C ATOM 64 O GLY A 4 -8.100 -10.497 -8.780 1.00 0.00 O ATOM 0 H GLY A 4 -8.965 -11.660 -10.556 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.245 -12.163 -10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.354 -10.652 -11.414 1.00 0.00 H new ATOM 68 N ILE A 5 -5.981 -9.910 -8.904 1.00 0.00 N ATOM 69 CA ILE A 5 -6.047 -9.147 -7.619 1.00 0.00 C ATOM 70 C ILE A 5 -5.051 -7.981 -7.668 1.00 0.00 C ATOM 71 O ILE A 5 -3.879 -8.136 -7.358 1.00 0.00 O ATOM 72 CB ILE A 5 -5.689 -10.066 -6.445 1.00 0.00 C ATOM 73 CG1 ILE A 5 -5.961 -11.529 -6.813 1.00 0.00 C ATOM 74 CG2 ILE A 5 -6.535 -9.689 -5.231 1.00 0.00 C ATOM 75 CD1 ILE A 5 -5.797 -12.414 -5.573 1.00 0.00 C ATOM 0 H ILE A 5 -5.069 -9.902 -9.362 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.059 -8.765 -7.482 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.630 -9.947 -6.214 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -6.969 -11.632 -7.214 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -5.273 -11.851 -7.595 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.282 -10.341 -4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -6.336 -8.653 -4.956 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.591 -9.803 -5.474 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -5.991 -13.453 -5.839 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -4.780 -12.321 -5.192 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -6.503 -12.098 -4.805 1.00 0.00 H new ATOM 87 N VAL A 6 -5.506 -6.819 -8.065 1.00 0.00 N ATOM 88 CA VAL A 6 -4.594 -5.643 -8.157 1.00 0.00 C ATOM 89 C VAL A 6 -4.765 -4.728 -6.928 1.00 0.00 C ATOM 90 O VAL A 6 -5.836 -4.206 -6.676 1.00 0.00 O ATOM 91 CB VAL A 6 -4.943 -4.864 -9.432 1.00 0.00 C ATOM 92 CG1 VAL A 6 -6.184 -3.997 -9.199 1.00 0.00 C ATOM 93 CG2 VAL A 6 -3.764 -3.971 -9.828 1.00 0.00 C ATOM 0 H VAL A 6 -6.474 -6.636 -8.330 1.00 0.00 H new ATOM 0 HA VAL A 6 -3.559 -5.983 -8.187 1.00 0.00 H new ATOM 0 HB VAL A 6 -5.150 -5.573 -10.233 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.422 -3.449 -10.111 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -7.027 -4.633 -8.928 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.988 -3.291 -8.392 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -4.014 -3.419 -10.734 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.552 -3.269 -9.022 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -2.885 -4.589 -10.011 1.00 0.00 H new ATOM 103 N TRP A 7 -3.725 -4.537 -6.157 1.00 0.00 N ATOM 104 CA TRP A 7 -3.830 -3.660 -4.951 1.00 0.00 C ATOM 105 C TRP A 7 -3.179 -2.300 -5.246 1.00 0.00 C ATOM 106 O TRP A 7 -1.972 -2.167 -5.267 1.00 0.00 O ATOM 107 CB TRP A 7 -3.125 -4.342 -3.778 1.00 0.00 C ATOM 108 CG TRP A 7 -3.969 -5.490 -3.325 1.00 0.00 C ATOM 109 CD1 TRP A 7 -4.548 -6.387 -4.153 1.00 0.00 C ATOM 110 CD2 TRP A 7 -4.353 -5.876 -1.971 1.00 0.00 C ATOM 111 NE1 TRP A 7 -5.259 -7.300 -3.401 1.00 0.00 N ATOM 112 CE2 TRP A 7 -5.171 -7.029 -2.051 1.00 0.00 C ATOM 113 CE3 TRP A 7 -4.079 -5.347 -0.696 1.00 0.00 C ATOM 114 CZ2 TRP A 7 -5.696 -7.636 -0.911 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -4.608 -5.957 0.456 1.00 0.00 C ATOM 116 CH2 TRP A 7 -5.413 -7.101 0.346 1.00 0.00 C ATOM 0 H TRP A 7 -2.806 -4.951 -6.311 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.878 -3.498 -4.697 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.138 -4.693 -4.080 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -2.976 -3.635 -2.962 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -4.467 -6.389 -5.230 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -5.785 -8.080 -3.795 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.459 -4.468 -0.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.318 -8.515 -1.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.393 -5.543 1.430 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.813 -7.567 1.234 1.00 0.00 H new ATOM 127 N VAL A 8 -3.980 -1.297 -5.501 1.00 0.00 N ATOM 128 CA VAL A 8 -3.439 0.056 -5.831 1.00 0.00 C ATOM 129 C VAL A 8 -3.456 0.980 -4.606 1.00 0.00 C ATOM 130 O VAL A 8 -4.343 0.919 -3.781 1.00 0.00 O ATOM 131 CB VAL A 8 -4.335 0.674 -6.899 1.00 0.00 C ATOM 132 CG1 VAL A 8 -3.810 2.060 -7.270 1.00 0.00 C ATOM 133 CG2 VAL A 8 -4.347 -0.220 -8.140 1.00 0.00 C ATOM 0 H VAL A 8 -4.998 -1.359 -5.494 1.00 0.00 H new ATOM 0 HA VAL A 8 -2.410 -0.053 -6.173 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.349 0.765 -6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.452 2.500 -8.033 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.809 2.697 -6.386 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -2.794 1.973 -7.656 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -4.988 0.224 -8.902 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -3.333 -0.316 -8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -4.728 -1.206 -7.874 1.00 0.00 H new ATOM 143 N VAL A 9 -2.498 1.865 -4.503 1.00 0.00 N ATOM 144 CA VAL A 9 -2.478 2.815 -3.366 1.00 0.00 C ATOM 145 C VAL A 9 -2.930 4.192 -3.872 1.00 0.00 C ATOM 146 O VAL A 9 -2.429 4.687 -4.866 1.00 0.00 O ATOM 147 CB VAL A 9 -1.057 2.901 -2.805 1.00 0.00 C ATOM 148 CG1 VAL A 9 -0.416 1.518 -2.820 1.00 0.00 C ATOM 149 CG2 VAL A 9 -0.205 3.855 -3.646 1.00 0.00 C ATOM 0 H VAL A 9 -1.728 1.966 -5.164 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.149 2.478 -2.576 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.110 3.277 -1.783 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.596 1.582 -2.420 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -1.006 0.837 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.379 1.145 -3.844 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.802 3.904 -3.232 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.159 3.492 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.651 4.849 -3.632 1.00 0.00 H new ATOM 159 N ASP A 10 -3.876 4.808 -3.215 1.00 0.00 N ATOM 160 CA ASP A 10 -4.350 6.139 -3.686 1.00 0.00 C ATOM 161 C ASP A 10 -3.963 7.230 -2.679 1.00 0.00 C ATOM 162 O ASP A 10 -2.847 7.708 -2.678 1.00 0.00 O ATOM 163 CB ASP A 10 -5.866 6.099 -3.857 1.00 0.00 C ATOM 164 CG ASP A 10 -6.200 5.735 -5.306 1.00 0.00 C ATOM 165 OD1 ASP A 10 -6.060 4.573 -5.650 1.00 0.00 O ATOM 166 OD2 ASP A 10 -6.588 6.624 -6.046 1.00 0.00 O ATOM 0 H ASP A 10 -4.337 4.450 -2.379 1.00 0.00 H new ATOM 0 HA ASP A 10 -3.880 6.371 -4.642 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.302 5.368 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -6.298 7.067 -3.604 1.00 0.00 H new ATOM 171 N ASP A 11 -4.872 7.642 -1.830 1.00 0.00 N ATOM 172 CA ASP A 11 -4.525 8.712 -0.850 1.00 0.00 C ATOM 173 C ASP A 11 -5.393 8.595 0.410 1.00 0.00 C ATOM 174 O ASP A 11 -4.894 8.624 1.516 1.00 0.00 O ATOM 175 CB ASP A 11 -4.756 10.080 -1.497 1.00 0.00 C ATOM 176 CG ASP A 11 -4.316 11.184 -0.533 1.00 0.00 C ATOM 177 OD1 ASP A 11 -4.721 11.137 0.616 1.00 0.00 O ATOM 178 OD2 ASP A 11 -3.581 12.058 -0.962 1.00 0.00 O ATOM 0 H ASP A 11 -5.827 7.288 -1.774 1.00 0.00 H new ATOM 0 HA ASP A 11 -3.479 8.602 -0.565 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -4.195 10.152 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.810 10.201 -1.749 1.00 0.00 H new ATOM 183 N ASP A 12 -6.685 8.477 0.260 1.00 0.00 N ATOM 184 CA ASP A 12 -7.557 8.374 1.467 1.00 0.00 C ATOM 185 C ASP A 12 -8.724 7.425 1.203 1.00 0.00 C ATOM 186 O ASP A 12 -8.856 6.860 0.136 1.00 0.00 O ATOM 187 CB ASP A 12 -8.101 9.759 1.823 1.00 0.00 C ATOM 188 CG ASP A 12 -8.062 9.947 3.341 1.00 0.00 C ATOM 189 OD1 ASP A 12 -7.002 9.755 3.914 1.00 0.00 O ATOM 190 OD2 ASP A 12 -9.092 10.275 3.905 1.00 0.00 O ATOM 0 H ASP A 12 -7.171 8.448 -0.636 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.965 7.984 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.507 10.531 1.335 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -9.123 9.865 1.459 1.00 0.00 H new ATOM 195 N SER A 13 -9.570 7.250 2.181 1.00 0.00 N ATOM 196 CA SER A 13 -10.740 6.342 2.018 1.00 0.00 C ATOM 197 C SER A 13 -11.695 6.916 0.970 1.00 0.00 C ATOM 198 O SER A 13 -11.556 8.042 0.538 1.00 0.00 O ATOM 199 CB SER A 13 -11.470 6.212 3.356 1.00 0.00 C ATOM 200 OG SER A 13 -11.699 4.836 3.634 1.00 0.00 O ATOM 0 H SER A 13 -9.500 7.701 3.093 1.00 0.00 H new ATOM 0 HA SER A 13 -10.395 5.361 1.692 1.00 0.00 H new ATOM 0 HB2 SER A 13 -10.877 6.662 4.152 1.00 0.00 H new ATOM 0 HB3 SER A 13 -12.417 6.750 3.321 1.00 0.00 H new ATOM 0 HG SER A 13 -12.165 4.749 4.492 1.00 0.00 H new ATOM 206 N SER A 14 -12.662 6.141 0.551 1.00 0.00 N ATOM 207 CA SER A 14 -13.628 6.631 -0.477 1.00 0.00 C ATOM 208 C SER A 14 -12.978 6.567 -1.860 1.00 0.00 C ATOM 209 O SER A 14 -13.621 6.784 -2.868 1.00 0.00 O ATOM 210 CB SER A 14 -14.029 8.073 -0.163 1.00 0.00 C ATOM 211 OG SER A 14 -15.447 8.161 -0.097 1.00 0.00 O ATOM 0 H SER A 14 -12.824 5.188 0.877 1.00 0.00 H new ATOM 0 HA SER A 14 -14.518 6.001 -0.465 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.589 8.387 0.783 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.646 8.745 -0.931 1.00 0.00 H new ATOM 0 HG SER A 14 -15.708 9.083 0.106 1.00 0.00 H new ATOM 217 N ILE A 15 -11.714 6.252 -1.918 1.00 0.00 N ATOM 218 CA ILE A 15 -11.033 6.152 -3.232 1.00 0.00 C ATOM 219 C ILE A 15 -11.021 4.680 -3.641 1.00 0.00 C ATOM 220 O ILE A 15 -11.056 4.342 -4.812 1.00 0.00 O ATOM 221 CB ILE A 15 -9.598 6.677 -3.106 1.00 0.00 C ATOM 222 CG1 ILE A 15 -9.616 8.208 -3.115 1.00 0.00 C ATOM 223 CG2 ILE A 15 -8.760 6.176 -4.282 1.00 0.00 C ATOM 224 CD1 ILE A 15 -10.349 8.721 -1.874 1.00 0.00 C ATOM 0 H ILE A 15 -11.125 6.060 -1.108 1.00 0.00 H new ATOM 0 HA ILE A 15 -11.553 6.746 -3.983 1.00 0.00 H new ATOM 0 HB ILE A 15 -9.163 6.318 -2.173 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.597 8.593 -3.133 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.109 8.570 -4.017 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.741 6.551 -4.189 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -8.747 5.086 -4.281 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -9.194 6.533 -5.216 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -10.360 9.811 -1.883 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -11.373 8.347 -1.876 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -9.837 8.371 -0.978 1.00 0.00 H new ATOM 236 N ARG A 16 -11.000 3.804 -2.675 1.00 0.00 N ATOM 237 CA ARG A 16 -11.014 2.353 -2.983 1.00 0.00 C ATOM 238 C ARG A 16 -12.350 2.032 -3.644 1.00 0.00 C ATOM 239 O ARG A 16 -12.431 1.229 -4.553 1.00 0.00 O ATOM 240 CB ARG A 16 -10.865 1.549 -1.685 1.00 0.00 C ATOM 241 CG ARG A 16 -11.327 0.105 -1.910 1.00 0.00 C ATOM 242 CD ARG A 16 -10.742 -0.799 -0.822 1.00 0.00 C ATOM 243 NE ARG A 16 -11.850 -1.497 -0.110 1.00 0.00 N ATOM 244 CZ ARG A 16 -12.141 -2.734 -0.407 1.00 0.00 C ATOM 245 NH1 ARG A 16 -11.459 -3.714 0.125 1.00 0.00 N ATOM 246 NH2 ARG A 16 -13.114 -2.994 -1.236 1.00 0.00 N ATOM 0 H ARG A 16 -10.974 4.035 -1.682 1.00 0.00 H new ATOM 0 HA ARG A 16 -10.190 2.092 -3.647 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -9.826 1.561 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -11.455 2.009 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -12.416 0.054 -1.892 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -11.008 -0.240 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -10.064 -1.528 -1.265 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -10.158 -0.207 -0.117 1.00 0.00 H new ATOM 0 HE ARG A 16 -12.381 -1.007 0.610 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -10.698 -3.513 0.773 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -11.688 -4.680 -0.108 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -13.647 -2.230 -1.652 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -13.342 -3.961 -1.468 1.00 0.00 H new ATOM 260 N TRP A 17 -13.399 2.671 -3.203 1.00 0.00 N ATOM 261 CA TRP A 17 -14.725 2.421 -3.819 1.00 0.00 C ATOM 262 C TRP A 17 -14.653 2.826 -5.288 1.00 0.00 C ATOM 263 O TRP A 17 -14.811 2.012 -6.168 1.00 0.00 O ATOM 264 CB TRP A 17 -15.791 3.260 -3.107 1.00 0.00 C ATOM 265 CG TRP A 17 -17.150 2.846 -3.574 1.00 0.00 C ATOM 266 CD1 TRP A 17 -17.805 1.732 -3.170 1.00 0.00 C ATOM 267 CD2 TRP A 17 -18.032 3.518 -4.520 1.00 0.00 C ATOM 268 NE1 TRP A 17 -19.031 1.678 -3.808 1.00 0.00 N ATOM 269 CE2 TRP A 17 -19.217 2.756 -4.650 1.00 0.00 C ATOM 270 CE3 TRP A 17 -17.921 4.703 -5.268 1.00 0.00 C ATOM 271 CZ2 TRP A 17 -20.253 3.154 -5.494 1.00 0.00 C ATOM 272 CZ3 TRP A 17 -18.962 5.107 -6.120 1.00 0.00 C ATOM 273 CH2 TRP A 17 -20.127 4.335 -6.231 1.00 0.00 C ATOM 0 H TRP A 17 -13.392 3.353 -2.445 1.00 0.00 H new ATOM 0 HA TRP A 17 -14.988 1.367 -3.730 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -15.711 3.129 -2.028 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -15.632 4.319 -3.312 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -17.431 1.004 -2.465 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -19.714 0.933 -3.673 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -17.029 5.307 -5.187 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -21.147 2.554 -5.578 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -18.864 6.017 -6.693 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -20.926 4.652 -6.885 1.00 0.00 H new ATOM 284 N VAL A 18 -14.430 4.086 -5.549 1.00 0.00 N ATOM 285 CA VAL A 18 -14.358 4.570 -6.961 1.00 0.00 C ATOM 286 C VAL A 18 -13.676 3.526 -7.860 1.00 0.00 C ATOM 287 O VAL A 18 -14.283 2.961 -8.756 1.00 0.00 O ATOM 288 CB VAL A 18 -13.545 5.871 -6.987 1.00 0.00 C ATOM 289 CG1 VAL A 18 -13.081 6.174 -8.414 1.00 0.00 C ATOM 290 CG2 VAL A 18 -14.421 7.022 -6.487 1.00 0.00 C ATOM 0 H VAL A 18 -14.293 4.807 -4.841 1.00 0.00 H new ATOM 0 HA VAL A 18 -15.368 4.739 -7.335 1.00 0.00 H new ATOM 0 HB VAL A 18 -12.672 5.759 -6.344 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -12.505 7.099 -8.421 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -12.458 5.356 -8.775 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -13.949 6.283 -9.064 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -13.848 7.949 -6.503 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -15.293 7.123 -7.133 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -14.747 6.815 -5.468 1.00 0.00 H new ATOM 300 N LEU A 19 -12.412 3.278 -7.636 1.00 0.00 N ATOM 301 CA LEU A 19 -11.684 2.291 -8.484 1.00 0.00 C ATOM 302 C LEU A 19 -12.475 0.985 -8.553 1.00 0.00 C ATOM 303 O LEU A 19 -13.009 0.635 -9.582 1.00 0.00 O ATOM 304 CB LEU A 19 -10.299 2.027 -7.888 1.00 0.00 C ATOM 305 CG LEU A 19 -9.231 2.321 -8.942 1.00 0.00 C ATOM 306 CD1 LEU A 19 -7.849 1.985 -8.378 1.00 0.00 C ATOM 307 CD2 LEU A 19 -9.496 1.469 -10.186 1.00 0.00 C ATOM 0 H LEU A 19 -11.854 3.716 -6.903 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.573 2.694 -9.491 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -10.143 2.654 -7.010 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -10.224 0.991 -7.557 1.00 0.00 H new ATOM 0 HG LEU A 19 -9.266 3.377 -9.210 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.088 2.195 -9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.660 2.591 -7.492 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.812 0.929 -8.110 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -8.735 1.677 -10.938 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -9.461 0.413 -9.918 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.480 1.709 -10.589 1.00 0.00 H new ATOM 319 N GLU A 20 -12.523 0.255 -7.475 1.00 0.00 N ATOM 320 CA GLU A 20 -13.259 -1.048 -7.467 1.00 0.00 C ATOM 321 C GLU A 20 -14.511 -0.971 -8.350 1.00 0.00 C ATOM 322 O GLU A 20 -14.883 -1.930 -8.997 1.00 0.00 O ATOM 323 CB GLU A 20 -13.677 -1.370 -6.030 1.00 0.00 C ATOM 324 CG GLU A 20 -13.878 -2.878 -5.882 1.00 0.00 C ATOM 325 CD GLU A 20 -12.871 -3.431 -4.871 1.00 0.00 C ATOM 326 OE1 GLU A 20 -12.711 -2.818 -3.828 1.00 0.00 O ATOM 327 OE2 GLU A 20 -12.279 -4.459 -5.156 1.00 0.00 O ATOM 0 H GLU A 20 -12.082 0.504 -6.590 1.00 0.00 H new ATOM 0 HA GLU A 20 -12.604 -1.826 -7.859 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -12.914 -1.024 -5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.599 -0.844 -5.782 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -14.895 -3.089 -5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -13.748 -3.369 -6.846 1.00 0.00 H new ATOM 334 N ARG A 21 -15.162 0.162 -8.384 1.00 0.00 N ATOM 335 CA ARG A 21 -16.385 0.296 -9.227 1.00 0.00 C ATOM 336 C ARG A 21 -15.997 0.058 -10.679 1.00 0.00 C ATOM 337 O ARG A 21 -16.559 -0.778 -11.355 1.00 0.00 O ATOM 338 CB ARG A 21 -16.968 1.705 -9.077 1.00 0.00 C ATOM 339 CG ARG A 21 -18.454 1.608 -8.718 1.00 0.00 C ATOM 340 CD ARG A 21 -19.220 0.963 -9.877 1.00 0.00 C ATOM 341 NE ARG A 21 -20.537 0.462 -9.386 1.00 0.00 N ATOM 342 CZ ARG A 21 -21.430 1.301 -8.936 1.00 0.00 C ATOM 343 NH1 ARG A 21 -21.623 2.440 -9.543 1.00 0.00 N ATOM 344 NH2 ARG A 21 -22.132 1.000 -7.877 1.00 0.00 N ATOM 0 H ARG A 21 -14.899 1.000 -7.865 1.00 0.00 H new ATOM 0 HA ARG A 21 -17.134 -0.431 -8.913 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -16.431 2.252 -8.302 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -16.843 2.262 -10.005 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -18.582 1.018 -7.811 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -18.854 2.601 -8.511 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -19.370 1.689 -10.676 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -18.640 0.141 -10.297 1.00 0.00 H new ATOM 0 HE ARG A 21 -20.740 -0.538 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -21.076 2.676 -10.371 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -22.321 3.094 -9.190 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -21.982 0.110 -7.402 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -22.830 1.655 -7.525 1.00 0.00 H new ATOM 358 N ALA A 22 -15.029 0.784 -11.161 1.00 0.00 N ATOM 359 CA ALA A 22 -14.590 0.589 -12.568 1.00 0.00 C ATOM 360 C ALA A 22 -13.955 -0.801 -12.712 1.00 0.00 C ATOM 361 O ALA A 22 -13.835 -1.328 -13.800 1.00 0.00 O ATOM 362 CB ALA A 22 -13.563 1.664 -12.932 1.00 0.00 C ATOM 0 H ALA A 22 -14.524 1.503 -10.642 1.00 0.00 H new ATOM 0 HA ALA A 22 -15.448 0.667 -13.236 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.239 1.524 -13.963 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -14.015 2.650 -12.825 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -12.703 1.585 -12.268 1.00 0.00 H new ATOM 368 N LEU A 23 -13.547 -1.400 -11.619 1.00 0.00 N ATOM 369 CA LEU A 23 -12.924 -2.746 -11.689 1.00 0.00 C ATOM 370 C LEU A 23 -14.016 -3.820 -11.632 1.00 0.00 C ATOM 371 O LEU A 23 -13.767 -4.991 -11.865 1.00 0.00 O ATOM 372 CB LEU A 23 -11.981 -2.909 -10.502 1.00 0.00 C ATOM 373 CG LEU A 23 -11.038 -4.072 -10.769 1.00 0.00 C ATOM 374 CD1 LEU A 23 -9.597 -3.608 -10.577 1.00 0.00 C ATOM 375 CD2 LEU A 23 -11.354 -5.199 -9.790 1.00 0.00 C ATOM 0 H LEU A 23 -13.622 -1.007 -10.681 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.369 -2.853 -12.621 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.412 -1.992 -10.346 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -12.552 -3.090 -9.591 1.00 0.00 H new ATOM 0 HG LEU A 23 -11.165 -4.430 -11.791 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.919 -4.440 -10.768 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.380 -2.796 -11.272 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -9.461 -3.256 -9.554 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -10.683 -6.038 -9.973 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -11.219 -4.842 -8.769 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -12.386 -5.522 -9.928 1.00 0.00 H new ATOM 387 N ALA A 24 -15.225 -3.430 -11.331 1.00 0.00 N ATOM 388 CA ALA A 24 -16.336 -4.417 -11.269 1.00 0.00 C ATOM 389 C ALA A 24 -16.639 -4.888 -12.689 1.00 0.00 C ATOM 390 O ALA A 24 -16.820 -6.061 -12.942 1.00 0.00 O ATOM 391 CB ALA A 24 -17.580 -3.760 -10.671 1.00 0.00 C ATOM 0 H ALA A 24 -15.490 -2.467 -11.125 1.00 0.00 H new ATOM 0 HA ALA A 24 -16.050 -5.263 -10.643 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -18.391 -4.487 -10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -17.356 -3.406 -9.665 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -17.881 -2.917 -11.293 1.00 0.00 H new ATOM 397 N GLY A 25 -16.679 -3.976 -13.621 1.00 0.00 N ATOM 398 CA GLY A 25 -16.948 -4.370 -15.028 1.00 0.00 C ATOM 399 C GLY A 25 -15.897 -5.393 -15.455 1.00 0.00 C ATOM 400 O GLY A 25 -16.169 -6.305 -16.211 1.00 0.00 O ATOM 0 H GLY A 25 -16.537 -2.978 -13.467 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.948 -4.794 -15.118 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -16.913 -3.497 -15.679 1.00 0.00 H new ATOM 404 N ALA A 26 -14.694 -5.250 -14.963 1.00 0.00 N ATOM 405 CA ALA A 26 -13.617 -6.212 -15.322 1.00 0.00 C ATOM 406 C ALA A 26 -13.793 -7.493 -14.500 1.00 0.00 C ATOM 407 O ALA A 26 -13.354 -8.557 -14.886 1.00 0.00 O ATOM 408 CB ALA A 26 -12.253 -5.583 -15.019 1.00 0.00 C ATOM 0 H ALA A 26 -14.413 -4.505 -14.326 1.00 0.00 H new ATOM 0 HA ALA A 26 -13.673 -6.452 -16.384 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -11.462 -6.286 -15.281 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -12.136 -4.670 -15.603 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -12.190 -5.345 -13.957 1.00 0.00 H new ATOM 414 N GLY A 27 -14.440 -7.394 -13.369 1.00 0.00 N ATOM 415 CA GLY A 27 -14.657 -8.600 -12.519 1.00 0.00 C ATOM 416 C GLY A 27 -13.345 -9.001 -11.842 1.00 0.00 C ATOM 417 O GLY A 27 -12.945 -10.148 -11.880 1.00 0.00 O ATOM 0 H GLY A 27 -14.828 -6.527 -12.997 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -15.417 -8.393 -11.766 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -15.029 -9.424 -13.129 1.00 0.00 H new ATOM 421 N LEU A 28 -12.670 -8.072 -11.223 1.00 0.00 N ATOM 422 CA LEU A 28 -11.383 -8.423 -10.550 1.00 0.00 C ATOM 423 C LEU A 28 -11.388 -7.925 -9.106 1.00 0.00 C ATOM 424 O LEU A 28 -12.323 -7.294 -8.654 1.00 0.00 O ATOM 425 CB LEU A 28 -10.217 -7.773 -11.294 1.00 0.00 C ATOM 426 CG LEU A 28 -9.842 -8.622 -12.508 1.00 0.00 C ATOM 427 CD1 LEU A 28 -10.333 -7.934 -13.782 1.00 0.00 C ATOM 428 CD2 LEU A 28 -8.320 -8.776 -12.564 1.00 0.00 C ATOM 0 H LEU A 28 -12.949 -7.093 -11.153 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.271 -9.507 -10.559 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.492 -6.767 -11.612 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.359 -7.673 -10.629 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.306 -9.605 -12.426 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.066 -8.539 -14.648 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.416 -7.820 -13.739 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.868 -6.952 -13.868 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.047 -9.381 -13.429 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.858 -7.793 -12.649 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.970 -9.264 -11.654 1.00 0.00 H new ATOM 440 N THR A 29 -10.338 -8.201 -8.383 1.00 0.00 N ATOM 441 CA THR A 29 -10.259 -7.742 -6.968 1.00 0.00 C ATOM 442 C THR A 29 -9.494 -6.420 -6.915 1.00 0.00 C ATOM 443 O THR A 29 -8.279 -6.392 -6.845 1.00 0.00 O ATOM 444 CB THR A 29 -9.533 -8.796 -6.123 1.00 0.00 C ATOM 445 OG1 THR A 29 -10.398 -9.903 -5.912 1.00 0.00 O ATOM 446 CG2 THR A 29 -9.131 -8.194 -4.772 1.00 0.00 C ATOM 0 H THR A 29 -9.528 -8.727 -8.713 1.00 0.00 H new ATOM 0 HA THR A 29 -11.264 -7.600 -6.571 1.00 0.00 H new ATOM 0 HB THR A 29 -8.636 -9.125 -6.647 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.937 -10.580 -5.374 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.616 -8.948 -4.177 1.00 0.00 H new ATOM 0 HG22 THR A 29 -8.468 -7.345 -4.935 1.00 0.00 H new ATOM 0 HG23 THR A 29 -10.023 -7.861 -4.242 1.00 0.00 H new ATOM 454 N CYS A 30 -10.199 -5.323 -6.960 1.00 0.00 N ATOM 455 CA CYS A 30 -9.530 -3.999 -6.919 1.00 0.00 C ATOM 456 C CYS A 30 -9.310 -3.582 -5.469 1.00 0.00 C ATOM 457 O CYS A 30 -10.055 -2.793 -4.922 1.00 0.00 O ATOM 458 CB CYS A 30 -10.430 -2.974 -7.597 1.00 0.00 C ATOM 459 SG CYS A 30 -9.534 -1.415 -7.806 1.00 0.00 S ATOM 0 H CYS A 30 -11.216 -5.290 -7.024 1.00 0.00 H new ATOM 0 HA CYS A 30 -8.569 -4.057 -7.431 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -10.757 -3.349 -8.567 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -11.327 -2.811 -6.999 1.00 0.00 H new ATOM 0 HG CYS A 30 -9.159 -0.971 -6.643 1.00 0.00 H new ATOM 465 N THR A 31 -8.288 -4.086 -4.844 1.00 0.00 N ATOM 466 CA THR A 31 -8.023 -3.694 -3.437 1.00 0.00 C ATOM 467 C THR A 31 -7.235 -2.387 -3.459 1.00 0.00 C ATOM 468 O THR A 31 -6.388 -2.192 -4.298 1.00 0.00 O ATOM 469 CB THR A 31 -7.209 -4.792 -2.745 1.00 0.00 C ATOM 470 OG1 THR A 31 -8.066 -5.876 -2.415 1.00 0.00 O ATOM 471 CG2 THR A 31 -6.570 -4.239 -1.470 1.00 0.00 C ATOM 0 H THR A 31 -7.626 -4.751 -5.245 1.00 0.00 H new ATOM 0 HA THR A 31 -8.956 -3.560 -2.889 1.00 0.00 H new ATOM 0 HB THR A 31 -6.424 -5.137 -3.418 1.00 0.00 H new ATOM 0 HG1 THR A 31 -7.537 -6.605 -2.028 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.993 -5.024 -0.982 1.00 0.00 H new ATOM 0 HG22 THR A 31 -5.911 -3.409 -1.724 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.350 -3.889 -0.794 1.00 0.00 H new ATOM 479 N THR A 32 -7.506 -1.481 -2.567 1.00 0.00 N ATOM 480 CA THR A 32 -6.754 -0.195 -2.588 1.00 0.00 C ATOM 481 C THR A 32 -6.506 0.290 -1.160 1.00 0.00 C ATOM 482 O THR A 32 -7.129 -0.162 -0.221 1.00 0.00 O ATOM 483 CB THR A 32 -7.564 0.854 -3.342 1.00 0.00 C ATOM 484 OG1 THR A 32 -8.944 0.522 -3.263 1.00 0.00 O ATOM 485 CG2 THR A 32 -7.120 0.892 -4.805 1.00 0.00 C ATOM 0 H THR A 32 -8.207 -1.570 -1.831 1.00 0.00 H new ATOM 0 HA THR A 32 -5.797 -0.351 -3.085 1.00 0.00 H new ATOM 0 HB THR A 32 -7.401 1.836 -2.897 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.297 0.374 -4.165 1.00 0.00 H new ATOM 0 HG21 THR A 32 -7.700 1.642 -5.342 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.061 1.146 -4.857 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.282 -0.085 -5.260 1.00 0.00 H new ATOM 493 N PHE A 33 -5.607 1.221 -0.994 1.00 0.00 N ATOM 494 CA PHE A 33 -5.326 1.752 0.367 1.00 0.00 C ATOM 495 C PHE A 33 -5.345 3.281 0.310 1.00 0.00 C ATOM 496 O PHE A 33 -5.720 3.865 -0.686 1.00 0.00 O ATOM 497 CB PHE A 33 -3.956 1.264 0.842 1.00 0.00 C ATOM 498 CG PHE A 33 -4.122 -0.051 1.566 1.00 0.00 C ATOM 499 CD1 PHE A 33 -4.125 -1.251 0.846 1.00 0.00 C ATOM 500 CD2 PHE A 33 -4.279 -0.069 2.957 1.00 0.00 C ATOM 501 CE1 PHE A 33 -4.285 -2.469 1.516 1.00 0.00 C ATOM 502 CE2 PHE A 33 -4.438 -1.287 3.627 1.00 0.00 C ATOM 503 CZ PHE A 33 -4.441 -2.488 2.907 1.00 0.00 C ATOM 0 H PHE A 33 -5.055 1.637 -1.744 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.083 1.399 1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.285 1.143 -0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.503 2.002 1.503 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.004 -1.237 -0.227 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.277 0.857 3.513 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.288 -3.395 0.960 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.558 -1.301 4.700 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.564 -3.428 3.424 1.00 0.00 H new ATOM 513 N GLU A 34 -4.957 3.935 1.369 1.00 0.00 N ATOM 514 CA GLU A 34 -4.972 5.424 1.361 1.00 0.00 C ATOM 515 C GLU A 34 -3.540 5.961 1.274 1.00 0.00 C ATOM 516 O GLU A 34 -3.311 7.070 0.834 1.00 0.00 O ATOM 517 CB GLU A 34 -5.630 5.926 2.648 1.00 0.00 C ATOM 518 CG GLU A 34 -5.067 5.157 3.845 1.00 0.00 C ATOM 519 CD GLU A 34 -5.413 5.899 5.137 1.00 0.00 C ATOM 520 OE1 GLU A 34 -4.858 6.964 5.351 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.226 5.390 5.890 1.00 0.00 O ATOM 0 H GLU A 34 -4.632 3.506 2.235 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.535 5.776 0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.447 6.994 2.770 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -6.710 5.792 2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.481 4.149 3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.986 5.056 3.750 1.00 0.00 H new ATOM 528 N ASN A 35 -2.572 5.192 1.691 1.00 0.00 N ATOM 529 CA ASN A 35 -1.165 5.682 1.627 1.00 0.00 C ATOM 530 C ASN A 35 -0.237 4.545 1.192 1.00 0.00 C ATOM 531 O ASN A 35 -0.458 3.392 1.504 1.00 0.00 O ATOM 532 CB ASN A 35 -0.740 6.190 3.007 1.00 0.00 C ATOM 533 CG ASN A 35 -1.801 7.149 3.549 1.00 0.00 C ATOM 534 OD1 ASN A 35 -2.228 8.126 2.796 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -2.248 7.008 4.671 1.00 0.00 N flip ATOM 0 H ASN A 35 -2.692 4.253 2.070 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.100 6.494 0.902 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.610 5.351 3.691 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.222 6.697 2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.915 6.245 5.260 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.956 7.653 5.023 1.00 0.00 H new ATOM 542 N GLY A 36 0.805 4.867 0.473 1.00 0.00 N ATOM 543 CA GLY A 36 1.753 3.814 0.015 1.00 0.00 C ATOM 544 C GLY A 36 2.269 3.032 1.222 1.00 0.00 C ATOM 545 O GLY A 36 2.562 1.855 1.132 1.00 0.00 O ATOM 0 H GLY A 36 1.040 5.816 0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 36 1.255 3.140 -0.682 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.587 4.268 -0.521 1.00 0.00 H new ATOM 549 N ASN A 37 2.377 3.671 2.353 1.00 0.00 N ATOM 550 CA ASN A 37 2.869 2.946 3.562 1.00 0.00 C ATOM 551 C ASN A 37 1.836 1.881 3.927 1.00 0.00 C ATOM 552 O ASN A 37 2.030 0.712 3.669 1.00 0.00 O ATOM 553 CB ASN A 37 3.057 3.903 4.755 1.00 0.00 C ATOM 554 CG ASN A 37 3.037 5.364 4.294 1.00 0.00 C ATOM 555 OD1 ASN A 37 3.965 5.830 3.666 1.00 0.00 O ATOM 556 ND2 ASN A 37 2.008 6.111 4.584 1.00 0.00 N ATOM 0 H ASN A 37 2.149 4.655 2.495 1.00 0.00 H new ATOM 0 HA ASN A 37 3.837 2.497 3.339 1.00 0.00 H new ATOM 0 HB2 ASN A 37 2.266 3.738 5.487 1.00 0.00 H new ATOM 0 HB3 ASN A 37 4.002 3.688 5.253 1.00 0.00 H new ATOM 0 HD21 ASN A 37 1.984 7.085 4.283 1.00 0.00 H new ATOM 0 HD22 ASN A 37 1.227 5.721 5.112 1.00 0.00 H new ATOM 563 N GLU A 38 0.742 2.284 4.527 1.00 0.00 N ATOM 564 CA GLU A 38 -0.323 1.309 4.916 1.00 0.00 C ATOM 565 C GLU A 38 -0.391 0.179 3.886 1.00 0.00 C ATOM 566 O GLU A 38 -0.655 -0.961 4.214 1.00 0.00 O ATOM 567 CB GLU A 38 -1.668 2.038 4.953 1.00 0.00 C ATOM 568 CG GLU A 38 -2.402 1.697 6.252 1.00 0.00 C ATOM 569 CD GLU A 38 -2.125 2.781 7.295 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.466 3.924 7.038 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.577 2.451 8.334 1.00 0.00 O ATOM 0 H GLU A 38 0.541 3.255 4.765 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.095 0.889 5.896 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.511 3.114 4.884 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.274 1.748 4.094 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.474 1.621 6.067 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.073 0.727 6.624 1.00 0.00 H new ATOM 578 N VAL A 39 -0.138 0.488 2.641 1.00 0.00 N ATOM 579 CA VAL A 39 -0.171 -0.555 1.593 1.00 0.00 C ATOM 580 C VAL A 39 0.876 -1.623 1.913 1.00 0.00 C ATOM 581 O VAL A 39 0.557 -2.782 2.082 1.00 0.00 O ATOM 582 CB VAL A 39 0.144 0.092 0.249 1.00 0.00 C ATOM 583 CG1 VAL A 39 0.113 -0.975 -0.834 1.00 0.00 C ATOM 584 CG2 VAL A 39 -0.903 1.170 -0.054 1.00 0.00 C ATOM 0 H VAL A 39 0.091 1.426 2.311 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.156 -1.020 1.554 1.00 0.00 H new ATOM 0 HB VAL A 39 1.132 0.551 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.337 -0.521 -1.799 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.856 -1.741 -0.612 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.877 -1.430 -0.869 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.680 1.634 -1.015 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.893 0.715 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.882 1.928 0.729 1.00 0.00 H new ATOM 594 N LEU A 40 2.124 -1.247 2.006 1.00 0.00 N ATOM 595 CA LEU A 40 3.168 -2.259 2.331 1.00 0.00 C ATOM 596 C LEU A 40 2.870 -2.839 3.712 1.00 0.00 C ATOM 597 O LEU A 40 3.349 -3.897 4.068 1.00 0.00 O ATOM 598 CB LEU A 40 4.570 -1.628 2.307 1.00 0.00 C ATOM 599 CG LEU A 40 4.593 -0.315 3.092 1.00 0.00 C ATOM 600 CD1 LEU A 40 4.359 -0.599 4.577 1.00 0.00 C ATOM 601 CD2 LEU A 40 5.959 0.352 2.919 1.00 0.00 C ATOM 0 H LEU A 40 2.462 -0.294 1.873 1.00 0.00 H new ATOM 0 HA LEU A 40 3.150 -3.051 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.293 -2.323 2.733 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.873 -1.445 1.276 1.00 0.00 H new ATOM 0 HG LEU A 40 3.808 0.343 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.376 0.338 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.390 -1.081 4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.144 -1.257 4.950 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.980 1.288 3.477 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.738 -0.312 3.294 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.133 0.555 1.862 1.00 0.00 H new ATOM 613 N ALA A 41 2.058 -2.165 4.479 1.00 0.00 N ATOM 614 CA ALA A 41 1.701 -2.687 5.826 1.00 0.00 C ATOM 615 C ALA A 41 0.854 -3.946 5.643 1.00 0.00 C ATOM 616 O ALA A 41 0.957 -4.899 6.391 1.00 0.00 O ATOM 617 CB ALA A 41 0.898 -1.627 6.587 1.00 0.00 C ATOM 0 H ALA A 41 1.627 -1.275 4.230 1.00 0.00 H new ATOM 0 HA ALA A 41 2.601 -2.922 6.393 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.636 -2.008 7.574 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.498 -0.724 6.695 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.012 -1.394 6.035 1.00 0.00 H new ATOM 623 N ALA A 42 0.026 -3.956 4.633 1.00 0.00 N ATOM 624 CA ALA A 42 -0.825 -5.147 4.367 1.00 0.00 C ATOM 625 C ALA A 42 -0.011 -6.165 3.565 1.00 0.00 C ATOM 626 O ALA A 42 -0.230 -7.358 3.650 1.00 0.00 O ATOM 627 CB ALA A 42 -2.055 -4.721 3.566 1.00 0.00 C ATOM 0 H ALA A 42 -0.097 -3.184 3.978 1.00 0.00 H new ATOM 0 HA ALA A 42 -1.148 -5.595 5.307 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.681 -5.592 3.369 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.624 -3.987 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.739 -4.281 2.620 1.00 0.00 H new ATOM 633 N LEU A 43 0.936 -5.701 2.791 1.00 0.00 N ATOM 634 CA LEU A 43 1.779 -6.636 1.991 1.00 0.00 C ATOM 635 C LEU A 43 2.624 -7.481 2.929 1.00 0.00 C ATOM 636 O LEU A 43 3.272 -8.413 2.514 1.00 0.00 O ATOM 637 CB LEU A 43 2.685 -5.837 1.061 1.00 0.00 C ATOM 638 CG LEU A 43 1.983 -5.647 -0.282 1.00 0.00 C ATOM 639 CD1 LEU A 43 1.912 -6.989 -1.015 1.00 0.00 C ATOM 640 CD2 LEU A 43 0.568 -5.118 -0.039 1.00 0.00 C ATOM 0 H LEU A 43 1.161 -4.713 2.679 1.00 0.00 H new ATOM 0 HA LEU A 43 1.138 -7.287 1.396 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.917 -4.868 1.504 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.632 -6.358 0.920 1.00 0.00 H new ATOM 0 HG LEU A 43 2.539 -4.934 -0.890 1.00 0.00 H new ATOM 0 HD11 LEU A 43 1.411 -6.854 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.921 -7.366 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.353 -7.704 -0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.062 -4.980 -0.995 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.011 -5.833 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.621 -4.163 0.484 1.00 0.00 H new ATOM 652 N ALA A 44 2.614 -7.175 4.193 1.00 0.00 N ATOM 653 CA ALA A 44 3.400 -7.999 5.149 1.00 0.00 C ATOM 654 C ALA A 44 2.866 -9.433 5.077 1.00 0.00 C ATOM 655 O ALA A 44 3.533 -10.380 5.443 1.00 0.00 O ATOM 656 CB ALA A 44 3.225 -7.453 6.568 1.00 0.00 C ATOM 0 H ALA A 44 2.100 -6.396 4.604 1.00 0.00 H new ATOM 0 HA ALA A 44 4.460 -7.972 4.895 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.803 -8.060 7.265 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.576 -6.422 6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.171 -7.488 6.844 1.00 0.00 H new ATOM 662 N SER A 45 1.657 -9.587 4.593 1.00 0.00 N ATOM 663 CA SER A 45 1.050 -10.944 4.471 1.00 0.00 C ATOM 664 C SER A 45 1.173 -11.419 3.021 1.00 0.00 C ATOM 665 O SER A 45 0.381 -12.208 2.542 1.00 0.00 O ATOM 666 CB SER A 45 -0.426 -10.877 4.862 1.00 0.00 C ATOM 667 OG SER A 45 -0.558 -10.128 6.061 1.00 0.00 O ATOM 0 H SER A 45 1.062 -8.822 4.275 1.00 0.00 H new ATOM 0 HA SER A 45 1.568 -11.640 5.131 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.005 -10.413 4.064 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.824 -11.882 5.001 1.00 0.00 H new ATOM 0 HG SER A 45 -1.503 -10.081 6.315 1.00 0.00 H new ATOM 673 N LYS A 46 2.162 -10.929 2.325 1.00 0.00 N ATOM 674 CA LYS A 46 2.380 -11.321 0.903 1.00 0.00 C ATOM 675 C LYS A 46 1.305 -10.698 0.011 1.00 0.00 C ATOM 676 O LYS A 46 0.144 -10.635 0.362 1.00 0.00 O ATOM 677 CB LYS A 46 2.360 -12.846 0.770 1.00 0.00 C ATOM 678 CG LYS A 46 3.798 -13.364 0.725 1.00 0.00 C ATOM 679 CD LYS A 46 4.540 -12.914 1.987 1.00 0.00 C ATOM 680 CE LYS A 46 6.034 -13.201 1.834 1.00 0.00 C ATOM 681 NZ LYS A 46 6.749 -12.778 3.071 1.00 0.00 N ATOM 0 H LYS A 46 2.841 -10.261 2.689 1.00 0.00 H new ATOM 0 HA LYS A 46 3.354 -10.953 0.582 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.827 -13.290 1.611 1.00 0.00 H new ATOM 0 HB3 LYS A 46 1.827 -13.137 -0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.802 -14.452 0.655 1.00 0.00 H new ATOM 0 HG3 LYS A 46 4.305 -12.986 -0.163 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.379 -11.849 2.155 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.146 -13.437 2.858 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.195 -14.264 1.653 1.00 0.00 H new ATOM 0 HE3 LYS A 46 6.431 -12.667 0.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 7.765 -12.973 2.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.605 -11.759 3.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 6.376 -13.306 3.885 1.00 0.00 H new ATOM 695 N THR A 47 1.697 -10.230 -1.144 1.00 0.00 N ATOM 696 CA THR A 47 0.727 -9.597 -2.084 1.00 0.00 C ATOM 697 C THR A 47 -0.188 -10.675 -2.678 1.00 0.00 C ATOM 698 O THR A 47 -0.079 -11.834 -2.330 1.00 0.00 O ATOM 699 CB THR A 47 1.515 -8.901 -3.204 1.00 0.00 C ATOM 700 OG1 THR A 47 0.706 -7.905 -3.808 1.00 0.00 O ATOM 701 CG2 THR A 47 1.942 -9.927 -4.260 1.00 0.00 C ATOM 0 H THR A 47 2.660 -10.260 -1.480 1.00 0.00 H new ATOM 0 HA THR A 47 0.113 -8.867 -1.557 1.00 0.00 H new ATOM 0 HB THR A 47 2.404 -8.437 -2.778 1.00 0.00 H new ATOM 0 HG1 THR A 47 0.582 -8.115 -4.757 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.500 -9.425 -5.050 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.572 -10.686 -3.796 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.057 -10.401 -4.685 1.00 0.00 H new ATOM 709 N PRO A 48 -1.051 -10.261 -3.570 1.00 0.00 N ATOM 710 CA PRO A 48 -1.944 -11.262 -4.183 1.00 0.00 C ATOM 711 C PRO A 48 -1.648 -11.393 -5.682 1.00 0.00 C ATOM 712 O PRO A 48 -1.188 -12.420 -6.137 1.00 0.00 O ATOM 713 CB PRO A 48 -3.354 -10.725 -3.952 1.00 0.00 C ATOM 714 CG PRO A 48 -3.208 -9.211 -3.741 1.00 0.00 C ATOM 715 CD PRO A 48 -1.736 -8.954 -3.383 1.00 0.00 C ATOM 0 HA PRO A 48 -1.812 -12.254 -3.752 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -3.996 -10.939 -4.806 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -3.812 -11.197 -3.083 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -3.488 -8.666 -4.643 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -3.866 -8.866 -2.943 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.303 -8.188 -4.026 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -1.637 -8.602 -2.356 1.00 0.00 H new ATOM 723 N ASP A 49 -1.919 -10.374 -6.462 1.00 0.00 N ATOM 724 CA ASP A 49 -1.655 -10.488 -7.922 1.00 0.00 C ATOM 725 C ASP A 49 -0.669 -9.395 -8.380 1.00 0.00 C ATOM 726 O ASP A 49 0.341 -9.693 -8.985 1.00 0.00 O ATOM 727 CB ASP A 49 -3.008 -10.419 -8.663 1.00 0.00 C ATOM 728 CG ASP A 49 -2.983 -9.452 -9.855 1.00 0.00 C ATOM 729 OD1 ASP A 49 -2.679 -8.292 -9.656 1.00 0.00 O ATOM 730 OD2 ASP A 49 -3.317 -9.889 -10.941 1.00 0.00 O ATOM 0 H ASP A 49 -2.306 -9.482 -6.152 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.180 -11.441 -8.156 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.276 -11.415 -9.014 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -3.785 -10.108 -7.964 1.00 0.00 H new ATOM 735 N VAL A 50 -0.934 -8.143 -8.103 1.00 0.00 N ATOM 736 CA VAL A 50 0.012 -7.070 -8.546 1.00 0.00 C ATOM 737 C VAL A 50 -0.141 -5.835 -7.663 1.00 0.00 C ATOM 738 O VAL A 50 -1.225 -5.331 -7.481 1.00 0.00 O ATOM 739 CB VAL A 50 -0.282 -6.704 -10.021 1.00 0.00 C ATOM 740 CG1 VAL A 50 -0.889 -5.301 -10.145 1.00 0.00 C ATOM 741 CG2 VAL A 50 1.025 -6.739 -10.815 1.00 0.00 C ATOM 0 H VAL A 50 -1.756 -7.818 -7.594 1.00 0.00 H new ATOM 0 HA VAL A 50 1.035 -7.435 -8.459 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.998 -7.428 -10.411 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.082 -5.079 -11.195 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -1.825 -5.259 -9.588 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -0.193 -4.566 -9.741 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.826 -6.482 -11.855 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.727 -6.021 -10.392 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.455 -7.739 -10.764 1.00 0.00 H new ATOM 751 N LEU A 51 0.933 -5.324 -7.139 1.00 0.00 N ATOM 752 CA LEU A 51 0.815 -4.105 -6.298 1.00 0.00 C ATOM 753 C LEU A 51 1.215 -2.896 -7.136 1.00 0.00 C ATOM 754 O LEU A 51 2.255 -2.883 -7.758 1.00 0.00 O ATOM 755 CB LEU A 51 1.739 -4.217 -5.089 1.00 0.00 C ATOM 756 CG LEU A 51 1.076 -3.552 -3.886 1.00 0.00 C ATOM 757 CD1 LEU A 51 0.277 -4.597 -3.109 1.00 0.00 C ATOM 758 CD2 LEU A 51 2.152 -2.952 -2.978 1.00 0.00 C ATOM 0 H LEU A 51 1.877 -5.692 -7.254 1.00 0.00 H new ATOM 0 HA LEU A 51 -0.211 -3.996 -5.948 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.947 -5.265 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 51 2.695 -3.740 -5.302 1.00 0.00 H new ATOM 0 HG LEU A 51 0.408 -2.761 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.198 -4.126 -2.249 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.488 -5.026 -3.757 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.946 -5.386 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.679 -2.477 -2.118 1.00 0.00 H new ATOM 0 HD22 LEU A 51 2.820 -3.742 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.724 -2.209 -3.534 1.00 0.00 H new ATOM 770 N LEU A 52 0.406 -1.880 -7.173 1.00 0.00 N ATOM 771 CA LEU A 52 0.774 -0.693 -7.986 1.00 0.00 C ATOM 772 C LEU A 52 0.366 0.583 -7.260 1.00 0.00 C ATOM 773 O LEU A 52 -0.390 0.554 -6.308 1.00 0.00 O ATOM 774 CB LEU A 52 0.089 -0.771 -9.343 1.00 0.00 C ATOM 775 CG LEU A 52 -1.406 -0.507 -9.221 1.00 0.00 C ATOM 776 CD1 LEU A 52 -1.660 0.997 -9.116 1.00 0.00 C ATOM 777 CD2 LEU A 52 -2.119 -1.057 -10.456 1.00 0.00 C ATOM 0 H LEU A 52 -0.486 -1.819 -6.681 1.00 0.00 H new ATOM 0 HA LEU A 52 1.854 -0.678 -8.134 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.535 -0.044 -10.021 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.253 -1.756 -9.780 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.787 -0.999 -8.326 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.731 1.180 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.152 1.391 -8.236 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.278 1.494 -10.008 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.189 -0.870 -10.372 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.733 -0.564 -11.348 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.943 -2.130 -10.530 1.00 0.00 H new ATOM 789 N SER A 53 0.863 1.706 -7.695 1.00 0.00 N ATOM 790 CA SER A 53 0.501 2.982 -7.015 1.00 0.00 C ATOM 791 C SER A 53 0.141 4.048 -8.052 1.00 0.00 C ATOM 792 O SER A 53 0.632 4.040 -9.163 1.00 0.00 O ATOM 793 CB SER A 53 1.687 3.464 -6.179 1.00 0.00 C ATOM 794 OG SER A 53 2.891 2.943 -6.727 1.00 0.00 O ATOM 0 H SER A 53 1.500 1.797 -8.486 1.00 0.00 H new ATOM 0 HA SER A 53 -0.360 2.811 -6.369 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.720 4.553 -6.168 1.00 0.00 H new ATOM 0 HB3 SER A 53 1.574 3.139 -5.145 1.00 0.00 H new ATOM 0 HG SER A 53 3.159 3.482 -7.500 1.00 0.00 H new ATOM 800 N ASP A 54 -0.713 4.970 -7.691 1.00 0.00 N ATOM 801 CA ASP A 54 -1.108 6.041 -8.651 1.00 0.00 C ATOM 802 C ASP A 54 -0.644 7.401 -8.120 1.00 0.00 C ATOM 803 O ASP A 54 -0.897 7.752 -6.984 1.00 0.00 O ATOM 804 CB ASP A 54 -2.630 6.048 -8.805 1.00 0.00 C ATOM 805 CG ASP A 54 -3.007 6.634 -10.167 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.990 7.848 -10.293 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.308 5.861 -11.061 1.00 0.00 O ATOM 0 H ASP A 54 -1.154 5.027 -6.773 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.643 5.851 -9.619 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -3.019 5.034 -8.714 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.083 6.636 -8.007 1.00 0.00 H new ATOM 812 N ILE A 55 0.032 8.170 -8.929 1.00 0.00 N ATOM 813 CA ILE A 55 0.507 9.504 -8.463 1.00 0.00 C ATOM 814 C ILE A 55 -0.615 10.532 -8.619 1.00 0.00 C ATOM 815 O ILE A 55 -1.399 10.475 -9.545 1.00 0.00 O ATOM 816 CB ILE A 55 1.721 9.930 -9.293 1.00 0.00 C ATOM 817 CG1 ILE A 55 2.239 11.289 -8.785 1.00 0.00 C ATOM 818 CG2 ILE A 55 1.329 10.025 -10.772 1.00 0.00 C ATOM 819 CD1 ILE A 55 1.520 12.446 -9.494 1.00 0.00 C ATOM 0 H ILE A 55 0.276 7.933 -9.891 1.00 0.00 H new ATOM 0 HA ILE A 55 0.792 9.443 -7.413 1.00 0.00 H new ATOM 0 HB ILE A 55 2.514 9.189 -9.190 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.084 11.363 -7.709 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.313 11.362 -8.958 1.00 0.00 H new ATOM 0 HG21 ILE A 55 2.196 10.328 -11.359 1.00 0.00 H new ATOM 0 HG22 ILE A 55 0.978 9.053 -11.119 1.00 0.00 H new ATOM 0 HG23 ILE A 55 0.534 10.761 -10.891 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.902 13.396 -9.119 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.698 12.381 -10.567 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.449 12.383 -9.299 1.00 0.00 H new ATOM 831 N ARG A 56 -0.701 11.471 -7.715 1.00 0.00 N ATOM 832 CA ARG A 56 -1.774 12.502 -7.808 1.00 0.00 C ATOM 833 C ARG A 56 -1.638 13.486 -6.642 1.00 0.00 C ATOM 834 O ARG A 56 -1.350 14.650 -6.831 1.00 0.00 O ATOM 835 CB ARG A 56 -3.147 11.823 -7.745 1.00 0.00 C ATOM 836 CG ARG A 56 -3.060 10.551 -6.898 1.00 0.00 C ATOM 837 CD ARG A 56 -4.230 10.511 -5.914 1.00 0.00 C ATOM 838 NE ARG A 56 -5.499 10.791 -6.640 1.00 0.00 N ATOM 839 CZ ARG A 56 -6.397 11.571 -6.104 1.00 0.00 C ATOM 840 NH1 ARG A 56 -6.175 12.854 -6.009 1.00 0.00 N ATOM 841 NH2 ARG A 56 -7.517 11.067 -5.663 1.00 0.00 N ATOM 0 H ARG A 56 -0.074 11.568 -6.916 1.00 0.00 H new ATOM 0 HA ARG A 56 -1.679 13.039 -8.752 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.881 12.506 -7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.488 11.578 -8.751 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.082 9.671 -7.541 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.115 10.526 -6.356 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.282 9.534 -5.433 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.080 11.247 -5.124 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.666 10.374 -7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.299 13.247 -6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.877 13.463 -5.590 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -7.689 10.064 -5.738 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -8.220 11.676 -5.244 1.00 0.00 H new ATOM 855 N MET A 57 -1.841 13.026 -5.438 1.00 0.00 N ATOM 856 CA MET A 57 -1.722 13.936 -4.263 1.00 0.00 C ATOM 857 C MET A 57 -0.454 14.784 -4.396 1.00 0.00 C ATOM 858 O MET A 57 0.513 14.366 -5.001 1.00 0.00 O ATOM 859 CB MET A 57 -1.639 13.105 -2.981 1.00 0.00 C ATOM 860 CG MET A 57 -0.545 12.048 -3.133 1.00 0.00 C ATOM 861 SD MET A 57 -1.258 10.400 -2.901 1.00 0.00 S ATOM 862 CE MET A 57 0.010 9.761 -1.780 1.00 0.00 C ATOM 0 H MET A 57 -2.084 12.060 -5.217 1.00 0.00 H new ATOM 0 HA MET A 57 -2.595 14.588 -4.223 1.00 0.00 H new ATOM 0 HB2 MET A 57 -1.422 13.750 -2.130 1.00 0.00 H new ATOM 0 HB3 MET A 57 -2.598 12.626 -2.782 1.00 0.00 H new ATOM 0 HG2 MET A 57 -0.088 12.122 -4.120 1.00 0.00 H new ATOM 0 HG3 MET A 57 0.245 12.220 -2.402 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.233 8.736 -1.502 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.980 9.782 -2.278 1.00 0.00 H new ATOM 0 HE3 MET A 57 0.049 10.380 -0.884 1.00 0.00 H new ATOM 872 N PRO A 58 -0.503 15.950 -3.813 1.00 0.00 N ATOM 873 CA PRO A 58 0.678 16.838 -3.884 1.00 0.00 C ATOM 874 C PRO A 58 1.485 16.750 -2.585 1.00 0.00 C ATOM 875 O PRO A 58 1.003 16.271 -1.577 1.00 0.00 O ATOM 876 CB PRO A 58 0.095 18.240 -4.061 1.00 0.00 C ATOM 877 CG PRO A 58 -1.348 18.178 -3.524 1.00 0.00 C ATOM 878 CD PRO A 58 -1.754 16.694 -3.532 1.00 0.00 C ATOM 0 HA PRO A 58 1.356 16.569 -4.694 1.00 0.00 H new ATOM 0 HB2 PRO A 58 0.682 18.977 -3.514 1.00 0.00 H new ATOM 0 HB3 PRO A 58 0.107 18.537 -5.110 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -1.405 18.590 -2.517 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -2.020 18.767 -4.148 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -2.182 16.398 -2.574 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -2.509 16.496 -4.293 1.00 0.00 H new ATOM 886 N GLY A 59 2.708 17.204 -2.602 1.00 0.00 N ATOM 887 CA GLY A 59 3.541 17.142 -1.367 1.00 0.00 C ATOM 888 C GLY A 59 4.915 16.559 -1.704 1.00 0.00 C ATOM 889 O GLY A 59 5.279 16.434 -2.855 1.00 0.00 O ATOM 0 H GLY A 59 3.166 17.614 -3.416 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.652 18.139 -0.941 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.048 16.527 -0.614 1.00 0.00 H new ATOM 893 N MET A 60 5.678 16.202 -0.708 1.00 0.00 N ATOM 894 CA MET A 60 7.027 15.629 -0.974 1.00 0.00 C ATOM 895 C MET A 60 6.882 14.299 -1.718 1.00 0.00 C ATOM 896 O MET A 60 7.712 13.936 -2.527 1.00 0.00 O ATOM 897 CB MET A 60 7.751 15.396 0.355 1.00 0.00 C ATOM 898 CG MET A 60 7.969 16.738 1.058 1.00 0.00 C ATOM 899 SD MET A 60 9.409 17.567 0.341 1.00 0.00 S ATOM 900 CE MET A 60 10.067 18.246 1.884 1.00 0.00 C ATOM 0 H MET A 60 5.426 16.282 0.277 1.00 0.00 H new ATOM 0 HA MET A 60 7.603 16.324 -1.586 1.00 0.00 H new ATOM 0 HB2 MET A 60 7.164 14.732 0.990 1.00 0.00 H new ATOM 0 HB3 MET A 60 8.708 14.906 0.179 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.084 17.365 0.950 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.121 16.581 2.126 1.00 0.00 H new ATOM 0 HE1 MET A 60 10.977 18.809 1.675 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.327 18.907 2.335 1.00 0.00 H new ATOM 0 HE3 MET A 60 10.294 17.432 2.572 1.00 0.00 H new ATOM 910 N ASP A 61 5.834 13.569 -1.450 1.00 0.00 N ATOM 911 CA ASP A 61 5.639 12.265 -2.143 1.00 0.00 C ATOM 912 C ASP A 61 4.288 12.267 -2.862 1.00 0.00 C ATOM 913 O ASP A 61 3.269 11.925 -2.294 1.00 0.00 O ATOM 914 CB ASP A 61 5.672 11.131 -1.116 1.00 0.00 C ATOM 915 CG ASP A 61 7.042 10.448 -1.153 1.00 0.00 C ATOM 916 OD1 ASP A 61 7.290 9.714 -2.095 1.00 0.00 O ATOM 917 OD2 ASP A 61 7.818 10.673 -0.240 1.00 0.00 O ATOM 0 H ASP A 61 5.105 13.819 -0.782 1.00 0.00 H new ATOM 0 HA ASP A 61 6.437 12.117 -2.871 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.477 11.524 -0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.887 10.407 -1.333 1.00 0.00 H new ATOM 922 N GLY A 62 4.271 12.651 -4.111 1.00 0.00 N ATOM 923 CA GLY A 62 2.988 12.679 -4.868 1.00 0.00 C ATOM 924 C GLY A 62 2.648 11.274 -5.363 1.00 0.00 C ATOM 925 O GLY A 62 1.525 10.823 -5.252 1.00 0.00 O ATOM 0 H GLY A 62 5.092 12.947 -4.639 1.00 0.00 H new ATOM 0 HA2 GLY A 62 2.187 13.054 -4.230 1.00 0.00 H new ATOM 0 HA3 GLY A 62 3.069 13.363 -5.713 1.00 0.00 H new ATOM 929 N LEU A 63 3.605 10.575 -5.910 1.00 0.00 N ATOM 930 CA LEU A 63 3.323 9.202 -6.410 1.00 0.00 C ATOM 931 C LEU A 63 2.617 8.396 -5.314 1.00 0.00 C ATOM 932 O LEU A 63 1.407 8.285 -5.302 1.00 0.00 O ATOM 933 CB LEU A 63 4.639 8.520 -6.812 1.00 0.00 C ATOM 934 CG LEU A 63 4.369 7.347 -7.769 1.00 0.00 C ATOM 935 CD1 LEU A 63 5.560 6.388 -7.736 1.00 0.00 C ATOM 936 CD2 LEU A 63 3.107 6.587 -7.346 1.00 0.00 C ATOM 0 H LEU A 63 4.566 10.895 -6.031 1.00 0.00 H new ATOM 0 HA LEU A 63 2.674 9.254 -7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.298 9.243 -7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.155 8.159 -5.922 1.00 0.00 H new ATOM 0 HG LEU A 63 4.226 7.741 -8.775 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.374 5.554 -8.413 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.461 6.916 -8.049 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.695 6.010 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.932 5.761 -8.035 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.238 6.197 -6.337 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.252 7.263 -7.365 1.00 0.00 H new ATOM 948 N ALA A 64 3.355 7.831 -4.397 1.00 0.00 N ATOM 949 CA ALA A 64 2.715 7.030 -3.317 1.00 0.00 C ATOM 950 C ALA A 64 3.785 6.254 -2.550 1.00 0.00 C ATOM 951 O ALA A 64 3.562 5.143 -2.114 1.00 0.00 O ATOM 952 CB ALA A 64 1.731 6.039 -3.934 1.00 0.00 C ATOM 0 H ALA A 64 4.372 7.890 -4.350 1.00 0.00 H new ATOM 0 HA ALA A 64 2.189 7.701 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.262 5.452 -3.144 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.964 6.583 -4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 64 2.263 5.373 -4.613 1.00 0.00 H new ATOM 958 N LEU A 65 4.944 6.824 -2.377 1.00 0.00 N ATOM 959 CA LEU A 65 6.012 6.105 -1.633 1.00 0.00 C ATOM 960 C LEU A 65 6.302 4.767 -2.314 1.00 0.00 C ATOM 961 O LEU A 65 6.128 3.714 -1.733 1.00 0.00 O ATOM 962 CB LEU A 65 5.544 5.861 -0.198 1.00 0.00 C ATOM 963 CG LEU A 65 4.903 7.139 0.346 1.00 0.00 C ATOM 964 CD1 LEU A 65 3.438 6.872 0.693 1.00 0.00 C ATOM 965 CD2 LEU A 65 5.653 7.588 1.602 1.00 0.00 C ATOM 0 H LEU A 65 5.196 7.752 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 65 6.922 6.706 -1.625 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.827 5.040 -0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.387 5.568 0.427 1.00 0.00 H new ATOM 0 HG LEU A 65 4.957 7.922 -0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.984 7.784 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 65 2.904 6.553 -0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 65 3.380 6.089 1.449 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.198 8.499 1.991 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.600 6.804 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 65 6.696 7.782 1.353 1.00 0.00 H new ATOM 977 N LEU A 66 6.754 4.795 -3.538 1.00 0.00 N ATOM 978 CA LEU A 66 7.066 3.519 -4.239 1.00 0.00 C ATOM 979 C LEU A 66 8.376 2.962 -3.691 1.00 0.00 C ATOM 980 O LEU A 66 8.722 1.821 -3.917 1.00 0.00 O ATOM 981 CB LEU A 66 7.210 3.771 -5.740 1.00 0.00 C ATOM 982 CG LEU A 66 7.123 2.439 -6.486 1.00 0.00 C ATOM 983 CD1 LEU A 66 5.692 1.905 -6.406 1.00 0.00 C ATOM 984 CD2 LEU A 66 7.509 2.651 -7.951 1.00 0.00 C ATOM 0 H LEU A 66 6.920 5.643 -4.080 1.00 0.00 H new ATOM 0 HA LEU A 66 6.258 2.806 -4.074 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.426 4.446 -6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.163 4.257 -5.949 1.00 0.00 H new ATOM 0 HG LEU A 66 7.805 1.720 -6.032 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.628 0.955 -6.937 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.417 1.756 -5.362 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.010 2.623 -6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 66 7.448 1.702 -8.484 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.827 3.368 -8.407 1.00 0.00 H new ATOM 0 HD23 LEU A 66 8.528 3.033 -8.007 1.00 0.00 H new ATOM 996 N LYS A 67 9.106 3.758 -2.961 1.00 0.00 N ATOM 997 CA LYS A 67 10.383 3.263 -2.390 1.00 0.00 C ATOM 998 C LYS A 67 10.062 2.400 -1.169 1.00 0.00 C ATOM 999 O LYS A 67 10.670 1.371 -0.946 1.00 0.00 O ATOM 1000 CB LYS A 67 11.262 4.446 -1.985 1.00 0.00 C ATOM 1001 CG LYS A 67 12.539 3.923 -1.325 1.00 0.00 C ATOM 1002 CD LYS A 67 13.756 4.364 -2.141 1.00 0.00 C ATOM 1003 CE LYS A 67 15.031 4.082 -1.346 1.00 0.00 C ATOM 1004 NZ LYS A 67 15.510 5.344 -0.715 1.00 0.00 N ATOM 0 H LYS A 67 8.873 4.725 -2.737 1.00 0.00 H new ATOM 0 HA LYS A 67 10.923 2.671 -3.129 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.511 5.046 -2.860 1.00 0.00 H new ATOM 0 HB3 LYS A 67 10.723 5.096 -1.296 1.00 0.00 H new ATOM 0 HG2 LYS A 67 12.615 4.302 -0.306 1.00 0.00 H new ATOM 0 HG3 LYS A 67 12.507 2.835 -1.259 1.00 0.00 H new ATOM 0 HD2 LYS A 67 13.782 3.832 -3.092 1.00 0.00 H new ATOM 0 HD3 LYS A 67 13.686 5.427 -2.373 1.00 0.00 H new ATOM 0 HE2 LYS A 67 14.837 3.331 -0.581 1.00 0.00 H new ATOM 0 HE3 LYS A 67 15.800 3.676 -2.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 16.377 5.154 -0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 15.710 6.047 -1.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 14.777 5.713 -0.076 1.00 0.00 H new ATOM 1018 N GLN A 68 9.092 2.795 -0.384 1.00 0.00 N ATOM 1019 CA GLN A 68 8.729 1.972 0.800 1.00 0.00 C ATOM 1020 C GLN A 68 7.919 0.763 0.322 1.00 0.00 C ATOM 1021 O GLN A 68 8.235 -0.367 0.647 1.00 0.00 O ATOM 1022 CB GLN A 68 7.921 2.806 1.810 1.00 0.00 C ATOM 1023 CG GLN A 68 6.512 3.090 1.280 1.00 0.00 C ATOM 1024 CD GLN A 68 5.784 4.052 2.223 1.00 0.00 C ATOM 1025 OE1 GLN A 68 4.700 4.503 1.918 1.00 0.00 O ATOM 1026 NE2 GLN A 68 6.331 4.389 3.363 1.00 0.00 N ATOM 0 H GLN A 68 8.542 3.644 -0.513 1.00 0.00 H new ATOM 0 HA GLN A 68 9.633 1.630 1.305 1.00 0.00 H new ATOM 0 HB2 GLN A 68 7.857 2.273 2.759 1.00 0.00 H new ATOM 0 HB3 GLN A 68 8.436 3.746 2.007 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.570 3.521 0.281 1.00 0.00 H new ATOM 0 HG3 GLN A 68 5.952 2.159 1.193 1.00 0.00 H new ATOM 0 HE21 GLN A 68 7.242 4.012 3.623 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.846 5.029 3.992 1.00 0.00 H new ATOM 1035 N ILE A 69 6.870 0.992 -0.438 1.00 0.00 N ATOM 1036 CA ILE A 69 6.034 -0.141 -0.934 1.00 0.00 C ATOM 1037 C ILE A 69 6.941 -1.328 -1.277 1.00 0.00 C ATOM 1038 O ILE A 69 6.588 -2.476 -1.098 1.00 0.00 O ATOM 1039 CB ILE A 69 5.271 0.324 -2.185 1.00 0.00 C ATOM 1040 CG1 ILE A 69 3.996 -0.508 -2.344 1.00 0.00 C ATOM 1041 CG2 ILE A 69 6.141 0.173 -3.436 1.00 0.00 C ATOM 1042 CD1 ILE A 69 2.895 0.360 -2.958 1.00 0.00 C ATOM 0 H ILE A 69 6.560 1.918 -0.734 1.00 0.00 H new ATOM 0 HA ILE A 69 5.323 -0.452 -0.169 1.00 0.00 H new ATOM 0 HB ILE A 69 5.013 1.376 -2.066 1.00 0.00 H new ATOM 0 HG12 ILE A 69 4.190 -1.372 -2.979 1.00 0.00 H new ATOM 0 HG13 ILE A 69 3.675 -0.890 -1.375 1.00 0.00 H new ATOM 0 HG21 ILE A 69 5.582 0.507 -4.310 1.00 0.00 H new ATOM 0 HG22 ILE A 69 7.042 0.777 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.419 -0.873 -3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 69 1.986 -0.231 -3.072 1.00 0.00 H new ATOM 0 HD12 ILE A 69 2.695 1.210 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 69 3.218 0.720 -3.935 1.00 0.00 H new ATOM 1054 N LYS A 70 8.121 -1.039 -1.765 1.00 0.00 N ATOM 1055 CA LYS A 70 9.080 -2.120 -2.123 1.00 0.00 C ATOM 1056 C LYS A 70 9.737 -2.654 -0.852 1.00 0.00 C ATOM 1057 O LYS A 70 9.720 -3.839 -0.589 1.00 0.00 O ATOM 1058 CB LYS A 70 10.158 -1.557 -3.050 1.00 0.00 C ATOM 1059 CG LYS A 70 10.522 -2.604 -4.102 1.00 0.00 C ATOM 1060 CD LYS A 70 9.421 -2.658 -5.160 1.00 0.00 C ATOM 1061 CE LYS A 70 9.539 -3.955 -5.960 1.00 0.00 C ATOM 1062 NZ LYS A 70 8.871 -5.058 -5.215 1.00 0.00 N ATOM 0 H LYS A 70 8.461 -0.092 -1.931 1.00 0.00 H new ATOM 0 HA LYS A 70 8.548 -2.926 -2.628 1.00 0.00 H new ATOM 0 HB2 LYS A 70 9.799 -0.649 -3.534 1.00 0.00 H new ATOM 0 HB3 LYS A 70 11.041 -1.283 -2.474 1.00 0.00 H new ATOM 0 HG2 LYS A 70 11.476 -2.354 -4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 70 10.641 -3.581 -3.634 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.442 -2.601 -4.684 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.501 -1.799 -5.827 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.079 -3.833 -6.941 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.588 -4.198 -6.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 8.424 -5.711 -5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.577 -5.573 -4.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 8.146 -4.661 -4.584 1.00 0.00 H new ATOM 1076 N GLN A 71 10.326 -1.778 -0.075 1.00 0.00 N ATOM 1077 CA GLN A 71 11.005 -2.201 1.187 1.00 0.00 C ATOM 1078 C GLN A 71 10.278 -3.394 1.808 1.00 0.00 C ATOM 1079 O GLN A 71 10.888 -4.364 2.210 1.00 0.00 O ATOM 1080 CB GLN A 71 10.992 -1.032 2.176 1.00 0.00 C ATOM 1081 CG GLN A 71 12.386 -0.409 2.259 1.00 0.00 C ATOM 1082 CD GLN A 71 12.745 0.224 0.914 1.00 0.00 C ATOM 1083 OE1 GLN A 71 12.495 -0.350 -0.127 1.00 0.00 O ATOM 1084 NE2 GLN A 71 13.327 1.393 0.889 1.00 0.00 N ATOM 0 H GLN A 71 10.365 -0.777 -0.265 1.00 0.00 H new ATOM 0 HA GLN A 71 12.031 -2.492 0.960 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.267 -0.283 1.858 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.680 -1.380 3.161 1.00 0.00 H new ATOM 0 HG2 GLN A 71 12.412 0.345 3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.121 -1.170 2.522 1.00 0.00 H new ATOM 0 HE21 GLN A 71 13.538 1.877 1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.571 1.822 -0.004 1.00 0.00 H new ATOM 1093 N ARG A 72 8.976 -3.332 1.890 1.00 0.00 N ATOM 1094 CA ARG A 72 8.216 -4.468 2.490 1.00 0.00 C ATOM 1095 C ARG A 72 7.891 -5.506 1.413 1.00 0.00 C ATOM 1096 O ARG A 72 8.013 -6.695 1.626 1.00 0.00 O ATOM 1097 CB ARG A 72 6.912 -3.948 3.097 1.00 0.00 C ATOM 1098 CG ARG A 72 6.459 -4.893 4.211 1.00 0.00 C ATOM 1099 CD ARG A 72 7.102 -4.467 5.531 1.00 0.00 C ATOM 1100 NE ARG A 72 7.156 -5.635 6.452 1.00 0.00 N ATOM 1101 CZ ARG A 72 8.307 -6.159 6.770 1.00 0.00 C ATOM 1102 NH1 ARG A 72 9.004 -5.655 7.751 1.00 0.00 N ATOM 1103 NH2 ARG A 72 8.764 -7.182 6.102 1.00 0.00 N ATOM 0 H ARG A 72 8.407 -2.548 1.569 1.00 0.00 H new ATOM 0 HA ARG A 72 8.825 -4.931 3.266 1.00 0.00 H new ATOM 0 HB2 ARG A 72 7.058 -2.943 3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 72 6.142 -3.878 2.328 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.373 -4.874 4.300 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.741 -5.918 3.971 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.107 -4.084 5.352 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.528 -3.658 5.984 1.00 0.00 H new ATOM 0 HE ARG A 72 6.294 -6.025 6.834 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.649 -4.851 8.269 1.00 0.00 H new ATOM 0 HH12 ARG A 72 9.904 -6.065 8.000 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.221 -7.572 5.331 1.00 0.00 H new ATOM 0 HH22 ARG A 72 9.664 -7.592 6.350 1.00 0.00 H new ATOM 1117 N HIS A 73 7.470 -5.061 0.262 1.00 0.00 N ATOM 1118 CA HIS A 73 7.122 -6.009 -0.837 1.00 0.00 C ATOM 1119 C HIS A 73 8.137 -7.157 -0.892 1.00 0.00 C ATOM 1120 O HIS A 73 9.220 -7.053 -0.352 1.00 0.00 O ATOM 1121 CB HIS A 73 7.148 -5.255 -2.163 1.00 0.00 C ATOM 1122 CG HIS A 73 5.774 -5.249 -2.764 1.00 0.00 C ATOM 1123 ND1 HIS A 73 5.570 -5.263 -4.134 1.00 0.00 N ATOM 1124 CD2 HIS A 73 4.524 -5.225 -2.196 1.00 0.00 C ATOM 1125 CE1 HIS A 73 4.243 -5.250 -4.346 1.00 0.00 C ATOM 1126 NE2 HIS A 73 3.557 -5.226 -3.197 1.00 0.00 N ATOM 0 H HIS A 73 7.351 -4.074 0.032 1.00 0.00 H new ATOM 0 HA HIS A 73 6.130 -6.423 -0.654 1.00 0.00 H new ATOM 0 HB2 HIS A 73 7.492 -4.233 -2.005 1.00 0.00 H new ATOM 0 HB3 HIS A 73 7.853 -5.726 -2.847 1.00 0.00 H new ATOM 0 HD1 HIS A 73 6.295 -5.280 -4.851 1.00 0.00 H new ATOM 0 HD2 HIS A 73 4.322 -5.208 -1.135 1.00 0.00 H new ATOM 0 HE1 HIS A 73 3.786 -5.258 -5.324 1.00 0.00 H new ATOM 1134 N PRO A 74 7.749 -8.217 -1.562 1.00 0.00 N ATOM 1135 CA PRO A 74 8.674 -9.367 -1.681 1.00 0.00 C ATOM 1136 C PRO A 74 9.030 -9.609 -3.153 1.00 0.00 C ATOM 1137 O PRO A 74 9.068 -10.733 -3.615 1.00 0.00 O ATOM 1138 CB PRO A 74 7.891 -10.553 -1.117 1.00 0.00 C ATOM 1139 CG PRO A 74 6.403 -10.182 -1.238 1.00 0.00 C ATOM 1140 CD PRO A 74 6.343 -8.650 -1.350 1.00 0.00 C ATOM 0 HA PRO A 74 9.613 -9.204 -1.151 1.00 0.00 H new ATOM 0 HB2 PRO A 74 8.111 -11.464 -1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 74 8.162 -10.740 -0.078 1.00 0.00 H new ATOM 0 HG2 PRO A 74 5.956 -10.653 -2.113 1.00 0.00 H new ATOM 0 HG3 PRO A 74 5.845 -10.530 -0.369 1.00 0.00 H new ATOM 0 HD2 PRO A 74 5.707 -8.341 -2.179 1.00 0.00 H new ATOM 0 HD3 PRO A 74 5.927 -8.206 -0.446 1.00 0.00 H new ATOM 1148 N MET A 75 9.295 -8.562 -3.889 1.00 0.00 N ATOM 1149 CA MET A 75 9.659 -8.717 -5.329 1.00 0.00 C ATOM 1150 C MET A 75 8.470 -9.263 -6.130 1.00 0.00 C ATOM 1151 O MET A 75 8.379 -10.445 -6.399 1.00 0.00 O ATOM 1152 CB MET A 75 10.844 -9.680 -5.460 1.00 0.00 C ATOM 1153 CG MET A 75 12.151 -8.886 -5.431 1.00 0.00 C ATOM 1154 SD MET A 75 13.537 -9.995 -5.787 1.00 0.00 S ATOM 1155 CE MET A 75 14.567 -8.800 -6.675 1.00 0.00 C ATOM 0 H MET A 75 9.275 -7.599 -3.552 1.00 0.00 H new ATOM 0 HA MET A 75 9.932 -7.739 -5.725 1.00 0.00 H new ATOM 0 HB2 MET A 75 10.829 -10.406 -4.647 1.00 0.00 H new ATOM 0 HB3 MET A 75 10.768 -10.243 -6.391 1.00 0.00 H new ATOM 0 HG2 MET A 75 12.117 -8.081 -6.166 1.00 0.00 H new ATOM 0 HG3 MET A 75 12.285 -8.421 -4.454 1.00 0.00 H new ATOM 0 HE1 MET A 75 15.284 -9.332 -7.300 1.00 0.00 H new ATOM 0 HE2 MET A 75 13.936 -8.171 -7.302 1.00 0.00 H new ATOM 0 HE3 MET A 75 15.102 -8.177 -5.958 1.00 0.00 H new ATOM 1165 N LEU A 76 7.567 -8.406 -6.530 1.00 0.00 N ATOM 1166 CA LEU A 76 6.393 -8.859 -7.331 1.00 0.00 C ATOM 1167 C LEU A 76 6.002 -7.722 -8.291 1.00 0.00 C ATOM 1168 O LEU A 76 6.254 -6.569 -8.003 1.00 0.00 O ATOM 1169 CB LEU A 76 5.241 -9.211 -6.379 1.00 0.00 C ATOM 1170 CG LEU A 76 4.508 -7.943 -5.945 1.00 0.00 C ATOM 1171 CD1 LEU A 76 3.199 -7.811 -6.729 1.00 0.00 C ATOM 1172 CD2 LEU A 76 4.197 -8.040 -4.451 1.00 0.00 C ATOM 0 H LEU A 76 7.593 -7.405 -6.334 1.00 0.00 H new ATOM 0 HA LEU A 76 6.631 -9.749 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 76 4.546 -9.890 -6.873 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.629 -9.733 -5.504 1.00 0.00 H new ATOM 0 HG LEU A 76 5.132 -7.071 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.678 -6.906 -6.417 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.418 -7.755 -7.795 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.568 -8.678 -6.533 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.673 -7.140 -4.129 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.569 -8.911 -4.266 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.127 -8.138 -3.891 1.00 0.00 H new ATOM 1184 N PRO A 77 5.435 -8.082 -9.419 1.00 0.00 N ATOM 1185 CA PRO A 77 5.075 -7.032 -10.408 1.00 0.00 C ATOM 1186 C PRO A 77 4.561 -5.761 -9.723 1.00 0.00 C ATOM 1187 O PRO A 77 3.645 -5.790 -8.918 1.00 0.00 O ATOM 1188 CB PRO A 77 3.981 -7.661 -11.267 1.00 0.00 C ATOM 1189 CG PRO A 77 3.360 -8.778 -10.417 1.00 0.00 C ATOM 1190 CD PRO A 77 4.415 -9.162 -9.365 1.00 0.00 C ATOM 0 HA PRO A 77 5.940 -6.723 -10.995 1.00 0.00 H new ATOM 0 HB2 PRO A 77 3.231 -6.921 -11.546 1.00 0.00 H new ATOM 0 HB3 PRO A 77 4.394 -8.060 -12.193 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.441 -8.437 -9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 77 3.098 -9.636 -11.035 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.972 -9.235 -8.372 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.858 -10.133 -9.588 1.00 0.00 H new ATOM 1198 N VAL A 78 5.149 -4.642 -10.050 1.00 0.00 N ATOM 1199 CA VAL A 78 4.712 -3.358 -9.441 1.00 0.00 C ATOM 1200 C VAL A 78 4.193 -2.427 -10.541 1.00 0.00 C ATOM 1201 O VAL A 78 4.959 -1.796 -11.243 1.00 0.00 O ATOM 1202 CB VAL A 78 5.897 -2.696 -8.739 1.00 0.00 C ATOM 1203 CG1 VAL A 78 5.477 -1.317 -8.225 1.00 0.00 C ATOM 1204 CG2 VAL A 78 6.345 -3.561 -7.559 1.00 0.00 C ATOM 0 H VAL A 78 5.917 -4.564 -10.717 1.00 0.00 H new ATOM 0 HA VAL A 78 3.920 -3.550 -8.717 1.00 0.00 H new ATOM 0 HB VAL A 78 6.721 -2.590 -9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 78 6.321 -0.843 -7.724 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.158 -0.698 -9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.652 -1.427 -7.521 1.00 0.00 H new ATOM 0 HG21 VAL A 78 7.190 -3.087 -7.060 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.521 -3.669 -6.853 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.643 -4.545 -7.922 1.00 0.00 H new ATOM 1214 N ILE A 79 2.900 -2.333 -10.697 1.00 0.00 N ATOM 1215 CA ILE A 79 2.342 -1.438 -11.754 1.00 0.00 C ATOM 1216 C ILE A 79 2.457 0.015 -11.280 1.00 0.00 C ATOM 1217 O ILE A 79 2.561 0.290 -10.097 1.00 0.00 O ATOM 1218 CB ILE A 79 0.875 -1.825 -12.014 1.00 0.00 C ATOM 1219 CG1 ILE A 79 0.806 -2.814 -13.176 1.00 0.00 C ATOM 1220 CG2 ILE A 79 0.021 -0.599 -12.368 1.00 0.00 C ATOM 1221 CD1 ILE A 79 -0.656 -3.183 -13.432 1.00 0.00 C ATOM 0 H ILE A 79 2.207 -2.835 -10.141 1.00 0.00 H new ATOM 0 HA ILE A 79 2.896 -1.545 -12.686 1.00 0.00 H new ATOM 0 HB ILE A 79 0.484 -2.272 -11.100 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.245 -2.374 -14.071 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.385 -3.708 -12.944 1.00 0.00 H new ATOM 0 HG21 ILE A 79 -1.008 -0.911 -12.545 1.00 0.00 H new ATOM 0 HG22 ILE A 79 0.048 0.113 -11.543 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.417 -0.127 -13.268 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.713 -3.889 -14.261 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -1.078 -3.639 -12.537 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -1.220 -2.284 -13.682 1.00 0.00 H new ATOM 1233 N ILE A 80 2.453 0.949 -12.189 1.00 0.00 N ATOM 1234 CA ILE A 80 2.579 2.370 -11.773 1.00 0.00 C ATOM 1235 C ILE A 80 1.937 3.293 -12.811 1.00 0.00 C ATOM 1236 O ILE A 80 2.295 3.288 -13.975 1.00 0.00 O ATOM 1237 CB ILE A 80 4.062 2.718 -11.637 1.00 0.00 C ATOM 1238 CG1 ILE A 80 4.208 4.056 -10.912 1.00 0.00 C ATOM 1239 CG2 ILE A 80 4.694 2.822 -13.027 1.00 0.00 C ATOM 1240 CD1 ILE A 80 5.534 4.078 -10.151 1.00 0.00 C ATOM 0 H ILE A 80 2.369 0.791 -13.193 1.00 0.00 H new ATOM 0 HA ILE A 80 2.069 2.508 -10.820 1.00 0.00 H new ATOM 0 HB ILE A 80 4.565 1.937 -11.067 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.174 4.876 -11.629 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.377 4.201 -10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.751 3.070 -12.929 1.00 0.00 H new ATOM 0 HG22 ILE A 80 4.592 1.869 -13.545 1.00 0.00 H new ATOM 0 HG23 ILE A 80 4.190 3.602 -13.598 1.00 0.00 H new ATOM 0 HD11 ILE A 80 5.641 5.031 -9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 80 5.550 3.266 -9.424 1.00 0.00 H new ATOM 0 HD13 ILE A 80 6.358 3.952 -10.853 1.00 0.00 H new ATOM 1252 N MET A 81 1.005 4.103 -12.388 1.00 0.00 N ATOM 1253 CA MET A 81 0.352 5.051 -13.329 1.00 0.00 C ATOM 1254 C MET A 81 1.031 6.410 -13.173 1.00 0.00 C ATOM 1255 O MET A 81 0.758 7.144 -12.242 1.00 0.00 O ATOM 1256 CB MET A 81 -1.134 5.178 -12.986 1.00 0.00 C ATOM 1257 CG MET A 81 -1.809 3.811 -13.110 1.00 0.00 C ATOM 1258 SD MET A 81 -3.606 4.022 -13.117 1.00 0.00 S ATOM 1259 CE MET A 81 -4.003 2.600 -12.071 1.00 0.00 C ATOM 0 H MET A 81 0.668 4.147 -11.426 1.00 0.00 H new ATOM 0 HA MET A 81 0.445 4.693 -14.354 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.252 5.562 -11.973 1.00 0.00 H new ATOM 0 HB3 MET A 81 -1.612 5.893 -13.656 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.487 3.317 -14.026 1.00 0.00 H new ATOM 0 HG3 MET A 81 -1.511 3.170 -12.280 1.00 0.00 H new ATOM 0 HE1 MET A 81 -5.083 2.536 -11.939 1.00 0.00 H new ATOM 0 HE2 MET A 81 -3.640 1.688 -12.544 1.00 0.00 H new ATOM 0 HE3 MET A 81 -3.525 2.719 -11.099 1.00 0.00 H new ATOM 1269 N THR A 82 1.934 6.744 -14.053 1.00 0.00 N ATOM 1270 CA THR A 82 2.645 8.047 -13.918 1.00 0.00 C ATOM 1271 C THR A 82 3.341 8.077 -12.555 1.00 0.00 C ATOM 1272 O THR A 82 3.005 7.319 -11.666 1.00 0.00 O ATOM 1273 CB THR A 82 1.646 9.203 -14.002 1.00 0.00 C ATOM 1274 OG1 THR A 82 0.331 8.686 -14.137 1.00 0.00 O ATOM 1275 CG2 THR A 82 1.979 10.082 -15.209 1.00 0.00 C ATOM 0 H THR A 82 2.209 6.176 -14.854 1.00 0.00 H new ATOM 0 HA THR A 82 3.373 8.154 -14.722 1.00 0.00 H new ATOM 0 HB THR A 82 1.707 9.801 -13.093 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.006 8.386 -13.263 1.00 0.00 H new ATOM 0 HG21 THR A 82 1.267 10.905 -15.267 1.00 0.00 H new ATOM 0 HG22 THR A 82 2.987 10.482 -15.101 1.00 0.00 H new ATOM 0 HG23 THR A 82 1.921 9.486 -16.120 1.00 0.00 H new ATOM 1283 N ALA A 83 4.307 8.932 -12.377 1.00 0.00 N ATOM 1284 CA ALA A 83 5.008 8.982 -11.063 1.00 0.00 C ATOM 1285 C ALA A 83 5.971 10.169 -11.039 1.00 0.00 C ATOM 1286 O ALA A 83 6.023 10.956 -11.963 1.00 0.00 O ATOM 1287 CB ALA A 83 5.789 7.684 -10.861 1.00 0.00 C ATOM 0 H ALA A 83 4.641 9.594 -13.078 1.00 0.00 H new ATOM 0 HA ALA A 83 4.277 9.098 -10.263 1.00 0.00 H new ATOM 0 HB1 ALA A 83 6.304 7.715 -9.901 1.00 0.00 H new ATOM 0 HB2 ALA A 83 5.101 6.839 -10.876 1.00 0.00 H new ATOM 0 HB3 ALA A 83 6.520 7.571 -11.661 1.00 0.00 H new ATOM 1293 N HIS A 84 6.738 10.306 -9.989 1.00 0.00 N ATOM 1294 CA HIS A 84 7.697 11.443 -9.918 1.00 0.00 C ATOM 1295 C HIS A 84 8.686 11.222 -8.766 1.00 0.00 C ATOM 1296 O HIS A 84 9.711 10.602 -8.972 1.00 0.00 O ATOM 1297 CB HIS A 84 6.924 12.759 -9.744 1.00 0.00 C ATOM 1298 CG HIS A 84 7.544 13.824 -10.608 1.00 0.00 C ATOM 1299 ND1 HIS A 84 8.456 14.740 -10.110 1.00 0.00 N ATOM 1300 CD2 HIS A 84 7.391 14.132 -11.937 1.00 0.00 C ATOM 1301 CE1 HIS A 84 8.815 15.548 -11.125 1.00 0.00 C ATOM 1302 NE2 HIS A 84 8.195 15.221 -12.262 1.00 0.00 N ATOM 0 H HIS A 84 6.741 9.682 -9.182 1.00 0.00 H new ATOM 0 HA HIS A 84 8.268 11.501 -10.845 1.00 0.00 H new ATOM 0 HB2 HIS A 84 5.878 12.618 -10.017 1.00 0.00 H new ATOM 0 HB3 HIS A 84 6.942 13.068 -8.699 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.745 13.609 -12.626 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.519 16.362 -11.031 1.00 0.00 H new ATOM 0 HE2 HIS A 84 8.290 15.672 -13.172 1.00 0.00 H new ATOM 1310 N SER A 85 8.428 11.724 -7.561 1.00 0.00 N ATOM 1311 CA SER A 85 9.423 11.526 -6.451 1.00 0.00 C ATOM 1312 C SER A 85 10.795 11.704 -7.052 1.00 0.00 C ATOM 1313 O SER A 85 11.750 11.056 -6.675 1.00 0.00 O ATOM 1314 CB SER A 85 9.284 10.116 -5.874 1.00 0.00 C ATOM 1315 OG SER A 85 8.117 10.054 -5.063 1.00 0.00 O ATOM 0 H SER A 85 7.590 12.249 -7.311 1.00 0.00 H new ATOM 0 HA SER A 85 9.256 12.240 -5.644 1.00 0.00 H new ATOM 0 HB2 SER A 85 9.220 9.385 -6.680 1.00 0.00 H new ATOM 0 HB3 SER A 85 10.165 9.863 -5.284 1.00 0.00 H new ATOM 0 HG SER A 85 8.375 9.912 -4.128 1.00 0.00 H new ATOM 1321 N ASP A 86 10.869 12.551 -8.041 1.00 0.00 N ATOM 1322 CA ASP A 86 12.139 12.737 -8.747 1.00 0.00 C ATOM 1323 C ASP A 86 12.443 11.392 -9.389 1.00 0.00 C ATOM 1324 O ASP A 86 12.407 10.365 -8.727 1.00 0.00 O ATOM 1325 CB ASP A 86 13.245 13.122 -7.761 1.00 0.00 C ATOM 1326 CG ASP A 86 13.350 14.646 -7.678 1.00 0.00 C ATOM 1327 OD1 ASP A 86 13.374 15.277 -8.723 1.00 0.00 O ATOM 1328 OD2 ASP A 86 13.405 15.158 -6.572 1.00 0.00 O ATOM 0 H ASP A 86 10.093 13.119 -8.382 1.00 0.00 H new ATOM 0 HA ASP A 86 12.081 13.535 -9.487 1.00 0.00 H new ATOM 0 HB2 ASP A 86 13.029 12.708 -6.776 1.00 0.00 H new ATOM 0 HB3 ASP A 86 14.197 12.699 -8.083 1.00 0.00 H new ATOM 1333 N LEU A 87 12.689 11.361 -10.674 1.00 0.00 N ATOM 1334 CA LEU A 87 12.964 10.055 -11.341 1.00 0.00 C ATOM 1335 C LEU A 87 13.753 9.174 -10.366 1.00 0.00 C ATOM 1336 O LEU A 87 13.598 7.977 -10.313 1.00 0.00 O ATOM 1337 CB LEU A 87 13.769 10.311 -12.605 1.00 0.00 C ATOM 1338 CG LEU A 87 13.352 9.310 -13.681 1.00 0.00 C ATOM 1339 CD1 LEU A 87 12.006 9.733 -14.271 1.00 0.00 C ATOM 1340 CD2 LEU A 87 14.409 9.277 -14.788 1.00 0.00 C ATOM 0 H LEU A 87 12.711 12.177 -11.285 1.00 0.00 H new ATOM 0 HA LEU A 87 12.037 9.550 -11.612 1.00 0.00 H new ATOM 0 HB2 LEU A 87 13.603 11.330 -12.956 1.00 0.00 H new ATOM 0 HB3 LEU A 87 14.835 10.216 -12.397 1.00 0.00 H new ATOM 0 HG LEU A 87 13.261 8.317 -13.240 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.706 9.021 -15.039 1.00 0.00 H new ATOM 0 HD12 LEU A 87 11.254 9.755 -13.482 1.00 0.00 H new ATOM 0 HD13 LEU A 87 12.098 10.725 -14.712 1.00 0.00 H new ATOM 0 HD21 LEU A 87 14.110 8.562 -15.555 1.00 0.00 H new ATOM 0 HD22 LEU A 87 14.502 10.268 -15.232 1.00 0.00 H new ATOM 0 HD23 LEU A 87 15.368 8.977 -14.366 1.00 0.00 H new ATOM 1352 N ASP A 88 14.551 9.801 -9.546 1.00 0.00 N ATOM 1353 CA ASP A 88 15.314 9.070 -8.506 1.00 0.00 C ATOM 1354 C ASP A 88 14.450 7.951 -7.929 1.00 0.00 C ATOM 1355 O ASP A 88 14.566 6.802 -8.305 1.00 0.00 O ATOM 1356 CB ASP A 88 15.637 10.057 -7.380 1.00 0.00 C ATOM 1357 CG ASP A 88 17.150 10.255 -7.284 1.00 0.00 C ATOM 1358 OD1 ASP A 88 17.660 11.118 -7.980 1.00 0.00 O ATOM 1359 OD2 ASP A 88 17.774 9.538 -6.519 1.00 0.00 O ATOM 0 H ASP A 88 14.706 10.809 -9.557 1.00 0.00 H new ATOM 0 HA ASP A 88 16.222 8.647 -8.936 1.00 0.00 H new ATOM 0 HB2 ASP A 88 15.147 11.012 -7.569 1.00 0.00 H new ATOM 0 HB3 ASP A 88 15.249 9.682 -6.433 1.00 0.00 H new ATOM 1364 N ALA A 89 13.576 8.282 -7.016 1.00 0.00 N ATOM 1365 CA ALA A 89 12.702 7.244 -6.418 1.00 0.00 C ATOM 1366 C ALA A 89 12.110 6.402 -7.543 1.00 0.00 C ATOM 1367 O ALA A 89 11.873 5.221 -7.387 1.00 0.00 O ATOM 1368 CB ALA A 89 11.576 7.911 -5.627 1.00 0.00 C ATOM 0 H ALA A 89 13.433 9.228 -6.662 1.00 0.00 H new ATOM 0 HA ALA A 89 13.281 6.613 -5.744 1.00 0.00 H new ATOM 0 HB1 ALA A 89 10.936 7.145 -5.189 1.00 0.00 H new ATOM 0 HB2 ALA A 89 12.003 8.525 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 89 10.986 8.539 -6.294 1.00 0.00 H new ATOM 1374 N ALA A 90 11.877 6.996 -8.684 1.00 0.00 N ATOM 1375 CA ALA A 90 11.307 6.203 -9.810 1.00 0.00 C ATOM 1376 C ALA A 90 12.359 5.209 -10.314 1.00 0.00 C ATOM 1377 O ALA A 90 12.410 4.075 -9.880 1.00 0.00 O ATOM 1378 CB ALA A 90 10.897 7.140 -10.950 1.00 0.00 C ATOM 0 H ALA A 90 12.054 7.981 -8.883 1.00 0.00 H new ATOM 0 HA ALA A 90 10.428 5.660 -9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.481 6.555 -11.770 1.00 0.00 H new ATOM 0 HB2 ALA A 90 10.147 7.844 -10.590 1.00 0.00 H new ATOM 0 HB3 ALA A 90 11.771 7.689 -11.302 1.00 0.00 H new ATOM 1384 N VAL A 91 13.185 5.630 -11.236 1.00 0.00 N ATOM 1385 CA VAL A 91 14.240 4.739 -11.802 1.00 0.00 C ATOM 1386 C VAL A 91 14.765 3.754 -10.749 1.00 0.00 C ATOM 1387 O VAL A 91 14.700 2.555 -10.926 1.00 0.00 O ATOM 1388 CB VAL A 91 15.402 5.607 -12.294 1.00 0.00 C ATOM 1389 CG1 VAL A 91 16.527 4.712 -12.811 1.00 0.00 C ATOM 1390 CG2 VAL A 91 14.917 6.514 -13.428 1.00 0.00 C ATOM 0 H VAL A 91 13.172 6.572 -11.627 1.00 0.00 H new ATOM 0 HA VAL A 91 13.807 4.165 -12.621 1.00 0.00 H new ATOM 0 HB VAL A 91 15.771 6.217 -11.469 1.00 0.00 H new ATOM 0 HG11 VAL A 91 17.353 5.331 -13.161 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.875 4.064 -12.007 1.00 0.00 H new ATOM 0 HG13 VAL A 91 16.157 4.102 -13.635 1.00 0.00 H new ATOM 0 HG21 VAL A 91 15.744 7.132 -13.778 1.00 0.00 H new ATOM 0 HG22 VAL A 91 14.547 5.902 -14.251 1.00 0.00 H new ATOM 0 HG23 VAL A 91 14.114 7.155 -13.063 1.00 0.00 H new ATOM 1400 N SER A 92 15.304 4.245 -9.667 1.00 0.00 N ATOM 1401 CA SER A 92 15.852 3.327 -8.626 1.00 0.00 C ATOM 1402 C SER A 92 14.774 2.341 -8.164 1.00 0.00 C ATOM 1403 O SER A 92 14.519 1.344 -8.810 1.00 0.00 O ATOM 1404 CB SER A 92 16.358 4.143 -7.435 1.00 0.00 C ATOM 1405 OG SER A 92 17.724 4.477 -7.640 1.00 0.00 O ATOM 0 H SER A 92 15.389 5.240 -9.458 1.00 0.00 H new ATOM 0 HA SER A 92 16.680 2.762 -9.054 1.00 0.00 H new ATOM 0 HB2 SER A 92 15.763 5.049 -7.322 1.00 0.00 H new ATOM 0 HB3 SER A 92 16.246 3.571 -6.514 1.00 0.00 H new ATOM 0 HG SER A 92 18.050 5.001 -6.879 1.00 0.00 H new ATOM 1411 N ALA A 93 14.147 2.594 -7.046 1.00 0.00 N ATOM 1412 CA ALA A 93 13.104 1.650 -6.555 1.00 0.00 C ATOM 1413 C ALA A 93 13.663 0.222 -6.611 1.00 0.00 C ATOM 1414 O ALA A 93 14.494 -0.156 -5.808 1.00 0.00 O ATOM 1415 CB ALA A 93 11.855 1.766 -7.431 1.00 0.00 C ATOM 0 H ALA A 93 14.311 3.409 -6.455 1.00 0.00 H new ATOM 0 HA ALA A 93 12.833 1.892 -5.527 1.00 0.00 H new ATOM 0 HB1 ALA A 93 11.093 1.075 -7.071 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.472 2.785 -7.385 1.00 0.00 H new ATOM 0 HB3 ALA A 93 12.110 1.520 -8.462 1.00 0.00 H new ATOM 1421 N TYR A 94 13.232 -0.573 -7.555 1.00 0.00 N ATOM 1422 CA TYR A 94 13.760 -1.962 -7.656 1.00 0.00 C ATOM 1423 C TYR A 94 13.922 -2.321 -9.133 1.00 0.00 C ATOM 1424 O TYR A 94 13.316 -3.248 -9.633 1.00 0.00 O ATOM 1425 CB TYR A 94 12.788 -2.936 -6.987 1.00 0.00 C ATOM 1426 CG TYR A 94 13.458 -3.567 -5.789 1.00 0.00 C ATOM 1427 CD1 TYR A 94 13.808 -2.779 -4.686 1.00 0.00 C ATOM 1428 CD2 TYR A 94 13.729 -4.939 -5.781 1.00 0.00 C ATOM 1429 CE1 TYR A 94 14.428 -3.364 -3.575 1.00 0.00 C ATOM 1430 CE2 TYR A 94 14.349 -5.525 -4.671 1.00 0.00 C ATOM 1431 CZ TYR A 94 14.699 -4.737 -3.568 1.00 0.00 C ATOM 1432 OH TYR A 94 15.309 -5.316 -2.474 1.00 0.00 O ATOM 0 H TYR A 94 12.538 -0.319 -8.259 1.00 0.00 H new ATOM 0 HA TYR A 94 14.725 -2.029 -7.153 1.00 0.00 H new ATOM 0 HB2 TYR A 94 11.884 -2.411 -6.678 1.00 0.00 H new ATOM 0 HB3 TYR A 94 12.483 -3.707 -7.695 1.00 0.00 H new ATOM 0 HD1 TYR A 94 13.600 -1.719 -4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 94 13.460 -5.547 -6.632 1.00 0.00 H new ATOM 0 HE1 TYR A 94 14.697 -2.756 -2.724 1.00 0.00 H new ATOM 0 HE2 TYR A 94 14.557 -6.585 -4.666 1.00 0.00 H new ATOM 0 HH TYR A 94 15.423 -6.276 -2.633 1.00 0.00 H new ATOM 1442 N GLN A 95 14.733 -1.578 -9.833 1.00 0.00 N ATOM 1443 CA GLN A 95 14.943 -1.846 -11.282 1.00 0.00 C ATOM 1444 C GLN A 95 15.436 -3.281 -11.484 1.00 0.00 C ATOM 1445 O GLN A 95 15.702 -3.998 -10.540 1.00 0.00 O ATOM 1446 CB GLN A 95 15.980 -0.861 -11.823 1.00 0.00 C ATOM 1447 CG GLN A 95 15.270 0.252 -12.595 1.00 0.00 C ATOM 1448 CD GLN A 95 14.549 -0.341 -13.806 1.00 0.00 C ATOM 1449 OE1 GLN A 95 15.032 -1.271 -14.420 1.00 0.00 O ATOM 1450 NE2 GLN A 95 13.402 0.160 -14.178 1.00 0.00 N ATOM 0 H GLN A 95 15.263 -0.791 -9.460 1.00 0.00 H new ATOM 0 HA GLN A 95 14.001 -1.722 -11.817 1.00 0.00 H new ATOM 0 HB2 GLN A 95 16.558 -0.437 -11.002 1.00 0.00 H new ATOM 0 HB3 GLN A 95 16.684 -1.379 -12.475 1.00 0.00 H new ATOM 0 HG2 GLN A 95 14.556 0.759 -11.947 1.00 0.00 H new ATOM 0 HG3 GLN A 95 15.993 1.001 -12.920 1.00 0.00 H new ATOM 0 HE21 GLN A 95 12.996 0.941 -13.663 1.00 0.00 H new ATOM 0 HE22 GLN A 95 12.912 -0.230 -14.984 1.00 0.00 H new ATOM 1459 N GLN A 96 15.555 -3.702 -12.714 1.00 0.00 N ATOM 1460 CA GLN A 96 16.025 -5.089 -12.994 1.00 0.00 C ATOM 1461 C GLN A 96 15.010 -6.093 -12.447 1.00 0.00 C ATOM 1462 O GLN A 96 15.356 -7.016 -11.738 1.00 0.00 O ATOM 1463 CB GLN A 96 17.382 -5.316 -12.323 1.00 0.00 C ATOM 1464 CG GLN A 96 18.502 -5.007 -13.320 1.00 0.00 C ATOM 1465 CD GLN A 96 19.849 -5.423 -12.722 1.00 0.00 C ATOM 1466 OE1 GLN A 96 19.989 -5.515 -11.519 1.00 0.00 O ATOM 1467 NE2 GLN A 96 20.851 -5.680 -13.517 1.00 0.00 N ATOM 0 H GLN A 96 15.346 -3.142 -13.541 1.00 0.00 H new ATOM 0 HA GLN A 96 16.126 -5.226 -14.071 1.00 0.00 H new ATOM 0 HB2 GLN A 96 17.476 -4.678 -11.444 1.00 0.00 H new ATOM 0 HB3 GLN A 96 17.461 -6.347 -11.978 1.00 0.00 H new ATOM 0 HG2 GLN A 96 18.328 -5.539 -14.255 1.00 0.00 H new ATOM 0 HG3 GLN A 96 18.510 -3.943 -13.556 1.00 0.00 H new ATOM 0 HE21 GLN A 96 20.733 -5.603 -14.527 1.00 0.00 H new ATOM 0 HE22 GLN A 96 21.752 -5.958 -13.128 1.00 0.00 H new ATOM 1476 N GLY A 97 13.757 -5.922 -12.771 1.00 0.00 N ATOM 1477 CA GLY A 97 12.723 -6.868 -12.266 1.00 0.00 C ATOM 1478 C GLY A 97 11.464 -6.761 -13.126 1.00 0.00 C ATOM 1479 O GLY A 97 11.493 -6.994 -14.319 1.00 0.00 O ATOM 0 H GLY A 97 13.406 -5.169 -13.363 1.00 0.00 H new ATOM 0 HA2 GLY A 97 13.106 -7.888 -12.291 1.00 0.00 H new ATOM 0 HA3 GLY A 97 12.486 -6.642 -11.227 1.00 0.00 H new ATOM 1483 N ALA A 98 10.355 -6.415 -12.532 1.00 0.00 N ATOM 1484 CA ALA A 98 9.095 -6.297 -13.318 1.00 0.00 C ATOM 1485 C ALA A 98 8.435 -4.949 -13.024 1.00 0.00 C ATOM 1486 O ALA A 98 7.619 -4.828 -12.132 1.00 0.00 O ATOM 1487 CB ALA A 98 8.143 -7.428 -12.924 1.00 0.00 C ATOM 0 H ALA A 98 10.267 -6.209 -11.537 1.00 0.00 H new ATOM 0 HA ALA A 98 9.321 -6.366 -14.382 1.00 0.00 H new ATOM 0 HB1 ALA A 98 7.220 -7.343 -13.498 1.00 0.00 H new ATOM 0 HB2 ALA A 98 8.613 -8.389 -13.133 1.00 0.00 H new ATOM 0 HB3 ALA A 98 7.916 -7.359 -11.860 1.00 0.00 H new ATOM 1493 N PHE A 99 8.780 -3.935 -13.769 1.00 0.00 N ATOM 1494 CA PHE A 99 8.171 -2.597 -13.529 1.00 0.00 C ATOM 1495 C PHE A 99 7.724 -1.988 -14.859 1.00 0.00 C ATOM 1496 O PHE A 99 8.429 -2.037 -15.847 1.00 0.00 O ATOM 1497 CB PHE A 99 9.200 -1.678 -12.870 1.00 0.00 C ATOM 1498 CG PHE A 99 9.056 -1.758 -11.370 1.00 0.00 C ATOM 1499 CD1 PHE A 99 9.327 -2.959 -10.706 1.00 0.00 C ATOM 1500 CD2 PHE A 99 8.651 -0.631 -10.644 1.00 0.00 C ATOM 1501 CE1 PHE A 99 9.192 -3.035 -9.314 1.00 0.00 C ATOM 1502 CE2 PHE A 99 8.516 -0.706 -9.253 1.00 0.00 C ATOM 1503 CZ PHE A 99 8.788 -1.909 -8.588 1.00 0.00 C ATOM 0 H PHE A 99 9.456 -3.975 -14.532 1.00 0.00 H new ATOM 0 HA PHE A 99 7.307 -2.707 -12.873 1.00 0.00 H new ATOM 0 HB2 PHE A 99 10.207 -1.971 -13.166 1.00 0.00 H new ATOM 0 HB3 PHE A 99 9.055 -0.651 -13.206 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.640 -3.827 -11.267 1.00 0.00 H new ATOM 0 HD2 PHE A 99 8.443 0.296 -11.158 1.00 0.00 H new ATOM 0 HE1 PHE A 99 9.400 -3.962 -8.801 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.202 0.162 -8.693 1.00 0.00 H new ATOM 0 HZ PHE A 99 8.686 -1.967 -7.514 1.00 0.00 H new ATOM 1513 N ASP A 100 6.556 -1.410 -14.888 1.00 0.00 N ATOM 1514 CA ASP A 100 6.058 -0.790 -16.149 1.00 0.00 C ATOM 1515 C ASP A 100 5.811 0.699 -15.909 1.00 0.00 C ATOM 1516 O ASP A 100 6.217 1.250 -14.905 1.00 0.00 O ATOM 1517 CB ASP A 100 4.748 -1.460 -16.592 1.00 0.00 C ATOM 1518 CG ASP A 100 4.129 -2.232 -15.422 1.00 0.00 C ATOM 1519 OD1 ASP A 100 4.639 -3.294 -15.103 1.00 0.00 O ATOM 1520 OD2 ASP A 100 3.157 -1.748 -14.866 1.00 0.00 O ATOM 0 H ASP A 100 5.923 -1.340 -14.091 1.00 0.00 H new ATOM 0 HA ASP A 100 6.804 -0.924 -16.933 1.00 0.00 H new ATOM 0 HB2 ASP A 100 4.048 -0.706 -16.951 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.940 -2.138 -17.424 1.00 0.00 H new ATOM 1525 N TYR A 101 5.149 1.356 -16.819 1.00 0.00 N ATOM 1526 CA TYR A 101 4.881 2.809 -16.632 1.00 0.00 C ATOM 1527 C TYR A 101 3.820 3.271 -17.631 1.00 0.00 C ATOM 1528 O TYR A 101 4.123 3.612 -18.757 1.00 0.00 O ATOM 1529 CB TYR A 101 6.171 3.600 -16.863 1.00 0.00 C ATOM 1530 CG TYR A 101 6.613 4.245 -15.572 1.00 0.00 C ATOM 1531 CD1 TYR A 101 6.118 5.504 -15.214 1.00 0.00 C ATOM 1532 CD2 TYR A 101 7.518 3.585 -14.733 1.00 0.00 C ATOM 1533 CE1 TYR A 101 6.529 6.103 -14.017 1.00 0.00 C ATOM 1534 CE2 TYR A 101 7.928 4.184 -13.536 1.00 0.00 C ATOM 1535 CZ TYR A 101 7.433 5.443 -13.179 1.00 0.00 C ATOM 1536 OH TYR A 101 7.837 6.035 -11.999 1.00 0.00 O ATOM 0 H TYR A 101 4.783 0.952 -17.681 1.00 0.00 H new ATOM 0 HA TYR A 101 4.522 2.980 -15.617 1.00 0.00 H new ATOM 0 HB2 TYR A 101 6.953 2.938 -17.236 1.00 0.00 H new ATOM 0 HB3 TYR A 101 6.009 4.363 -17.625 1.00 0.00 H new ATOM 0 HD1 TYR A 101 5.419 6.014 -15.861 1.00 0.00 H new ATOM 0 HD2 TYR A 101 7.900 2.613 -15.009 1.00 0.00 H new ATOM 0 HE1 TYR A 101 6.148 7.075 -13.741 1.00 0.00 H new ATOM 0 HE2 TYR A 101 8.626 3.674 -12.888 1.00 0.00 H new ATOM 0 HH TYR A 101 8.465 5.444 -11.535 1.00 0.00 H new ATOM 1546 N LEU A 102 2.578 3.296 -17.229 1.00 0.00 N ATOM 1547 CA LEU A 102 1.512 3.751 -18.166 1.00 0.00 C ATOM 1548 C LEU A 102 0.796 4.965 -17.562 1.00 0.00 C ATOM 1549 O LEU A 102 0.735 5.109 -16.357 1.00 0.00 O ATOM 1550 CB LEU A 102 0.506 2.619 -18.411 1.00 0.00 C ATOM 1551 CG LEU A 102 -0.113 2.161 -17.089 1.00 0.00 C ATOM 1552 CD1 LEU A 102 -1.638 2.236 -17.188 1.00 0.00 C ATOM 1553 CD2 LEU A 102 0.298 0.712 -16.808 1.00 0.00 C ATOM 0 H LEU A 102 2.257 3.023 -16.300 1.00 0.00 H new ATOM 0 HA LEU A 102 1.962 4.029 -19.119 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.277 2.960 -19.088 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.004 1.780 -18.897 1.00 0.00 H new ATOM 0 HG LEU A 102 0.237 2.807 -16.283 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.080 1.910 -16.247 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.939 3.263 -17.394 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -1.983 1.588 -17.994 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -0.143 0.385 -15.866 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -0.055 0.071 -17.616 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.384 0.648 -16.742 1.00 0.00 H new ATOM 1565 N PRO A 103 0.279 5.806 -18.421 1.00 0.00 N ATOM 1566 CA PRO A 103 -0.428 6.999 -17.901 1.00 0.00 C ATOM 1567 C PRO A 103 -1.889 6.998 -18.353 1.00 0.00 C ATOM 1568 O PRO A 103 -2.369 6.048 -18.940 1.00 0.00 O ATOM 1569 CB PRO A 103 0.317 8.186 -18.509 1.00 0.00 C ATOM 1570 CG PRO A 103 1.021 7.652 -19.768 1.00 0.00 C ATOM 1571 CD PRO A 103 1.125 6.129 -19.598 1.00 0.00 C ATOM 0 HA PRO A 103 -0.438 7.029 -16.811 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -0.373 8.991 -18.761 1.00 0.00 H new ATOM 0 HB3 PRO A 103 1.040 8.595 -17.803 1.00 0.00 H new ATOM 0 HG2 PRO A 103 0.455 7.904 -20.665 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.009 8.098 -19.878 1.00 0.00 H new ATOM 0 HD2 PRO A 103 0.774 5.609 -20.489 1.00 0.00 H new ATOM 0 HD3 PRO A 103 2.158 5.821 -19.436 1.00 0.00 H new ATOM 1579 N LYS A 104 -2.600 8.058 -18.082 1.00 0.00 N ATOM 1580 CA LYS A 104 -4.030 8.123 -18.491 1.00 0.00 C ATOM 1581 C LYS A 104 -4.137 8.759 -19.885 1.00 0.00 C ATOM 1582 O LYS A 104 -3.233 9.447 -20.316 1.00 0.00 O ATOM 1583 CB LYS A 104 -4.807 8.973 -17.484 1.00 0.00 C ATOM 1584 CG LYS A 104 -5.102 8.144 -16.233 1.00 0.00 C ATOM 1585 CD LYS A 104 -6.528 8.429 -15.758 1.00 0.00 C ATOM 1586 CE LYS A 104 -6.532 9.681 -14.879 1.00 0.00 C ATOM 1587 NZ LYS A 104 -6.858 9.300 -13.475 1.00 0.00 N ATOM 0 H LYS A 104 -2.251 8.883 -17.594 1.00 0.00 H new ATOM 0 HA LYS A 104 -4.446 7.116 -18.519 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -4.230 9.858 -17.218 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -5.739 9.322 -17.929 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -4.985 7.082 -16.451 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -4.389 8.388 -15.445 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -7.187 8.571 -16.615 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -6.913 7.577 -15.198 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -5.558 10.169 -14.918 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -7.263 10.398 -15.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -6.861 10.150 -12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -7.796 8.853 -13.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -6.144 8.631 -13.122 1.00 0.00 H new ATOM 1601 N PRO A 105 -5.242 8.509 -20.551 1.00 0.00 N ATOM 1602 CA PRO A 105 -6.299 7.658 -19.953 1.00 0.00 C ATOM 1603 C PRO A 105 -6.030 6.182 -20.260 1.00 0.00 C ATOM 1604 O PRO A 105 -5.174 5.848 -21.055 1.00 0.00 O ATOM 1605 CB PRO A 105 -7.591 8.126 -20.625 1.00 0.00 C ATOM 1606 CG PRO A 105 -7.172 8.790 -21.949 1.00 0.00 C ATOM 1607 CD PRO A 105 -5.690 9.175 -21.798 1.00 0.00 C ATOM 0 HA PRO A 105 -6.345 7.745 -18.867 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -8.262 7.286 -20.806 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -8.127 8.830 -19.989 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -7.311 8.106 -22.786 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -7.782 9.670 -22.151 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -5.106 8.840 -22.655 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -5.568 10.256 -21.733 1.00 0.00 H new ATOM 1615 N PHE A 106 -6.754 5.296 -19.633 1.00 0.00 N ATOM 1616 CA PHE A 106 -6.542 3.842 -19.884 1.00 0.00 C ATOM 1617 C PHE A 106 -7.763 3.059 -19.403 1.00 0.00 C ATOM 1618 O PHE A 106 -8.435 3.452 -18.468 1.00 0.00 O ATOM 1619 CB PHE A 106 -5.306 3.371 -19.116 1.00 0.00 C ATOM 1620 CG PHE A 106 -5.565 3.502 -17.635 1.00 0.00 C ATOM 1621 CD1 PHE A 106 -5.302 4.713 -16.986 1.00 0.00 C ATOM 1622 CD2 PHE A 106 -6.067 2.413 -16.911 1.00 0.00 C ATOM 1623 CE1 PHE A 106 -5.541 4.838 -15.612 1.00 0.00 C ATOM 1624 CE2 PHE A 106 -6.306 2.538 -15.538 1.00 0.00 C ATOM 1625 CZ PHE A 106 -6.043 3.750 -14.887 1.00 0.00 C ATOM 0 H PHE A 106 -7.485 5.517 -18.956 1.00 0.00 H new ATOM 0 HA PHE A 106 -6.398 3.674 -20.951 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -5.079 2.335 -19.368 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -4.438 3.966 -19.400 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -4.914 5.552 -17.545 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -6.269 1.478 -17.412 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -5.338 5.773 -15.111 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -6.694 1.699 -14.979 1.00 0.00 H new ATOM 0 HZ PHE A 106 -6.227 3.845 -13.827 1.00 0.00 H new ATOM 1635 N ASP A 107 -8.053 1.950 -20.024 1.00 0.00 N ATOM 1636 CA ASP A 107 -9.220 1.143 -19.597 1.00 0.00 C ATOM 1637 C ASP A 107 -8.820 0.317 -18.373 1.00 0.00 C ATOM 1638 O ASP A 107 -7.928 -0.501 -18.438 1.00 0.00 O ATOM 1639 CB ASP A 107 -9.612 0.208 -20.736 1.00 0.00 C ATOM 1640 CG ASP A 107 -11.120 -0.049 -20.698 1.00 0.00 C ATOM 1641 OD1 ASP A 107 -11.672 -0.057 -19.611 1.00 0.00 O ATOM 1642 OD2 ASP A 107 -11.696 -0.234 -21.758 1.00 0.00 O ATOM 0 H ASP A 107 -7.528 1.570 -20.811 1.00 0.00 H new ATOM 0 HA ASP A 107 -10.061 1.789 -19.347 1.00 0.00 H new ATOM 0 HB2 ASP A 107 -9.333 0.648 -21.693 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -9.071 -0.734 -20.648 1.00 0.00 H new ATOM 1647 N ILE A 108 -9.458 0.532 -17.256 1.00 0.00 N ATOM 1648 CA ILE A 108 -9.097 -0.235 -16.030 1.00 0.00 C ATOM 1649 C ILE A 108 -8.851 -1.700 -16.378 1.00 0.00 C ATOM 1650 O ILE A 108 -7.924 -2.312 -15.886 1.00 0.00 O ATOM 1651 CB ILE A 108 -10.237 -0.136 -15.015 1.00 0.00 C ATOM 1652 CG1 ILE A 108 -9.910 -0.997 -13.792 1.00 0.00 C ATOM 1653 CG2 ILE A 108 -11.534 -0.634 -15.653 1.00 0.00 C ATOM 1654 CD1 ILE A 108 -9.547 -0.095 -12.612 1.00 0.00 C ATOM 0 H ILE A 108 -10.214 1.206 -17.139 1.00 0.00 H new ATOM 0 HA ILE A 108 -8.186 0.185 -15.603 1.00 0.00 H new ATOM 0 HB ILE A 108 -10.357 0.903 -14.707 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -10.765 -1.622 -13.535 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -9.081 -1.668 -14.018 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -12.346 -0.563 -14.929 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -11.770 -0.022 -16.524 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -11.412 -1.672 -15.962 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -9.315 -0.710 -11.742 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -8.679 0.511 -12.871 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -10.389 0.558 -12.381 1.00 0.00 H new ATOM 1666 N ASP A 109 -9.660 -2.271 -17.219 1.00 0.00 N ATOM 1667 CA ASP A 109 -9.450 -3.690 -17.583 1.00 0.00 C ATOM 1668 C ASP A 109 -8.259 -3.776 -18.519 1.00 0.00 C ATOM 1669 O ASP A 109 -7.455 -4.676 -18.442 1.00 0.00 O ATOM 1670 CB ASP A 109 -10.691 -4.196 -18.298 1.00 0.00 C ATOM 1671 CG ASP A 109 -10.672 -5.724 -18.347 1.00 0.00 C ATOM 1672 OD1 ASP A 109 -10.508 -6.329 -17.299 1.00 0.00 O ATOM 1673 OD2 ASP A 109 -10.819 -6.264 -19.431 1.00 0.00 O ATOM 0 H ASP A 109 -10.455 -1.816 -17.668 1.00 0.00 H new ATOM 0 HA ASP A 109 -9.266 -4.292 -16.693 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -11.586 -3.850 -17.781 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -10.730 -3.791 -19.309 1.00 0.00 H new ATOM 1678 N GLU A 110 -8.138 -2.839 -19.400 1.00 0.00 N ATOM 1679 CA GLU A 110 -6.986 -2.857 -20.330 1.00 0.00 C ATOM 1680 C GLU A 110 -5.703 -3.011 -19.505 1.00 0.00 C ATOM 1681 O GLU A 110 -4.780 -3.702 -19.892 1.00 0.00 O ATOM 1682 CB GLU A 110 -6.957 -1.543 -21.110 1.00 0.00 C ATOM 1683 CG GLU A 110 -5.719 -1.494 -22.001 1.00 0.00 C ATOM 1684 CD GLU A 110 -4.600 -0.739 -21.281 1.00 0.00 C ATOM 1685 OE1 GLU A 110 -4.913 0.185 -20.548 1.00 0.00 O ATOM 1686 OE2 GLU A 110 -3.450 -1.095 -21.478 1.00 0.00 O ATOM 0 H GLU A 110 -8.785 -2.060 -19.519 1.00 0.00 H new ATOM 0 HA GLU A 110 -7.070 -3.685 -21.034 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -7.857 -1.451 -21.718 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -6.952 -0.700 -20.419 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -5.392 -2.505 -22.243 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -5.956 -1.001 -22.944 1.00 0.00 H new ATOM 1693 N ALA A 111 -5.643 -2.375 -18.359 1.00 0.00 N ATOM 1694 CA ALA A 111 -4.441 -2.478 -17.502 1.00 0.00 C ATOM 1695 C ALA A 111 -4.499 -3.770 -16.678 1.00 0.00 C ATOM 1696 O ALA A 111 -3.721 -4.682 -16.885 1.00 0.00 O ATOM 1697 CB ALA A 111 -4.433 -1.278 -16.564 1.00 0.00 C ATOM 0 H ALA A 111 -6.387 -1.786 -17.986 1.00 0.00 H new ATOM 0 HA ALA A 111 -3.540 -2.494 -18.115 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -3.556 -1.327 -15.918 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -4.402 -0.359 -17.149 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -5.335 -1.288 -15.952 1.00 0.00 H new ATOM 1703 N VAL A 112 -5.399 -3.837 -15.728 1.00 0.00 N ATOM 1704 CA VAL A 112 -5.506 -5.044 -14.856 1.00 0.00 C ATOM 1705 C VAL A 112 -5.244 -6.315 -15.666 1.00 0.00 C ATOM 1706 O VAL A 112 -4.682 -7.274 -15.177 1.00 0.00 O ATOM 1707 CB VAL A 112 -6.923 -5.098 -14.273 1.00 0.00 C ATOM 1708 CG1 VAL A 112 -7.207 -6.494 -13.716 1.00 0.00 C ATOM 1709 CG2 VAL A 112 -7.041 -4.071 -13.145 1.00 0.00 C ATOM 0 H VAL A 112 -6.070 -3.098 -15.519 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.765 -4.981 -14.059 1.00 0.00 H new ATOM 0 HB VAL A 112 -7.644 -4.873 -15.059 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -8.216 -6.523 -13.304 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -7.120 -7.229 -14.516 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -6.487 -6.726 -12.931 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -8.047 -4.105 -12.726 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -6.315 -4.302 -12.365 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -6.845 -3.074 -13.539 1.00 0.00 H new ATOM 1719 N ALA A 113 -5.667 -6.329 -16.895 1.00 0.00 N ATOM 1720 CA ALA A 113 -5.472 -7.532 -17.749 1.00 0.00 C ATOM 1721 C ALA A 113 -4.037 -7.578 -18.265 1.00 0.00 C ATOM 1722 O ALA A 113 -3.281 -8.465 -17.921 1.00 0.00 O ATOM 1723 CB ALA A 113 -6.434 -7.470 -18.937 1.00 0.00 C ATOM 0 H ALA A 113 -6.145 -5.551 -17.351 1.00 0.00 H new ATOM 0 HA ALA A 113 -5.669 -8.426 -17.158 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -6.294 -8.350 -19.565 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -7.461 -7.444 -18.573 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -6.233 -6.572 -19.521 1.00 0.00 H new ATOM 1729 N LEU A 114 -3.667 -6.642 -19.104 1.00 0.00 N ATOM 1730 CA LEU A 114 -2.291 -6.626 -19.666 1.00 0.00 C ATOM 1731 C LEU A 114 -1.296 -7.114 -18.615 1.00 0.00 C ATOM 1732 O LEU A 114 -0.504 -8.005 -18.855 1.00 0.00 O ATOM 1733 CB LEU A 114 -1.964 -5.189 -20.064 1.00 0.00 C ATOM 1734 CG LEU A 114 -0.544 -5.103 -20.636 1.00 0.00 C ATOM 1735 CD1 LEU A 114 0.479 -5.152 -19.500 1.00 0.00 C ATOM 1736 CD2 LEU A 114 -0.303 -6.274 -21.592 1.00 0.00 C ATOM 0 H LEU A 114 -4.269 -5.883 -19.423 1.00 0.00 H new ATOM 0 HA LEU A 114 -2.226 -7.284 -20.533 1.00 0.00 H new ATOM 0 HB2 LEU A 114 -2.683 -4.837 -20.804 1.00 0.00 H new ATOM 0 HB3 LEU A 114 -2.054 -4.535 -19.196 1.00 0.00 H new ATOM 0 HG LEU A 114 -0.434 -4.163 -21.177 1.00 0.00 H new ATOM 0 HD11 LEU A 114 1.486 -5.090 -19.914 1.00 0.00 H new ATOM 0 HD12 LEU A 114 0.313 -4.313 -18.824 1.00 0.00 H new ATOM 0 HD13 LEU A 114 0.369 -6.087 -18.951 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.707 -6.211 -21.997 1.00 0.00 H new ATOM 0 HD22 LEU A 114 -0.419 -7.214 -21.053 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -1.025 -6.232 -22.408 1.00 0.00 H new ATOM 1748 N VAL A 115 -1.336 -6.541 -17.445 1.00 0.00 N ATOM 1749 CA VAL A 115 -0.402 -6.974 -16.372 1.00 0.00 C ATOM 1750 C VAL A 115 -0.809 -8.371 -15.892 1.00 0.00 C ATOM 1751 O VAL A 115 0.011 -9.264 -15.819 1.00 0.00 O ATOM 1752 CB VAL A 115 -0.448 -5.953 -15.218 1.00 0.00 C ATOM 1753 CG1 VAL A 115 -0.448 -6.656 -13.852 1.00 0.00 C ATOM 1754 CG2 VAL A 115 0.782 -5.052 -15.312 1.00 0.00 C ATOM 0 H VAL A 115 -1.976 -5.791 -17.186 1.00 0.00 H new ATOM 0 HA VAL A 115 0.620 -7.020 -16.749 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.365 -5.371 -15.305 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.481 -5.909 -13.059 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -1.321 -7.304 -13.777 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.458 -7.254 -13.750 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.763 -4.324 -14.501 1.00 0.00 H new ATOM 0 HG22 VAL A 115 1.684 -5.659 -15.234 1.00 0.00 H new ATOM 0 HG23 VAL A 115 0.778 -4.530 -16.269 1.00 0.00 H new ATOM 1764 N GLU A 116 -2.064 -8.551 -15.552 1.00 0.00 N ATOM 1765 CA GLU A 116 -2.546 -9.882 -15.061 1.00 0.00 C ATOM 1766 C GLU A 116 -1.777 -11.005 -15.759 1.00 0.00 C ATOM 1767 O GLU A 116 -1.500 -12.039 -15.183 1.00 0.00 O ATOM 1768 CB GLU A 116 -4.037 -10.024 -15.378 1.00 0.00 C ATOM 1769 CG GLU A 116 -4.505 -11.441 -15.044 1.00 0.00 C ATOM 1770 CD GLU A 116 -4.310 -12.348 -16.260 1.00 0.00 C ATOM 1771 OE1 GLU A 116 -4.227 -11.823 -17.358 1.00 0.00 O ATOM 1772 OE2 GLU A 116 -4.251 -13.552 -16.073 1.00 0.00 O ATOM 0 H GLU A 116 -2.781 -7.826 -15.594 1.00 0.00 H new ATOM 0 HA GLU A 116 -2.384 -9.949 -13.985 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.611 -9.297 -14.804 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -4.216 -9.811 -16.432 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -3.943 -11.829 -14.195 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -5.555 -11.428 -14.752 1.00 0.00 H new ATOM 1779 N ARG A 117 -1.424 -10.801 -16.997 1.00 0.00 N ATOM 1780 CA ARG A 117 -0.667 -11.843 -17.740 1.00 0.00 C ATOM 1781 C ARG A 117 0.791 -11.834 -17.287 1.00 0.00 C ATOM 1782 O ARG A 117 1.307 -12.831 -16.831 1.00 0.00 O ATOM 1783 CB ARG A 117 -0.743 -11.548 -19.239 1.00 0.00 C ATOM 1784 CG ARG A 117 -2.041 -12.122 -19.804 1.00 0.00 C ATOM 1785 CD ARG A 117 -1.832 -12.505 -21.270 1.00 0.00 C ATOM 1786 NE ARG A 117 -2.476 -11.490 -22.147 1.00 0.00 N ATOM 1787 CZ ARG A 117 -2.669 -11.750 -23.412 1.00 0.00 C ATOM 1788 NH1 ARG A 117 -1.672 -11.682 -24.251 1.00 0.00 N ATOM 1789 NH2 ARG A 117 -3.856 -12.082 -23.836 1.00 0.00 N ATOM 0 H ARG A 117 -1.629 -9.954 -17.527 1.00 0.00 H new ATOM 0 HA ARG A 117 -1.099 -12.824 -17.540 1.00 0.00 H new ATOM 0 HB2 ARG A 117 -0.703 -10.473 -19.412 1.00 0.00 H new ATOM 0 HB3 ARG A 117 0.114 -11.985 -19.751 1.00 0.00 H new ATOM 0 HG2 ARG A 117 -2.346 -12.996 -19.228 1.00 0.00 H new ATOM 0 HG3 ARG A 117 -2.843 -11.389 -19.719 1.00 0.00 H new ATOM 0 HD2 ARG A 117 -0.767 -12.569 -21.492 1.00 0.00 H new ATOM 0 HD3 ARG A 117 -2.257 -13.490 -21.463 1.00 0.00 H new ATOM 0 HE ARG A 117 -2.766 -10.592 -21.760 1.00 0.00 H new ATOM 0 HH11 ARG A 117 -0.742 -11.426 -23.919 1.00 0.00 H new ATOM 0 HH12 ARG A 117 -1.822 -11.885 -25.239 1.00 0.00 H new ATOM 0 HH21 ARG A 117 -4.635 -12.139 -23.180 1.00 0.00 H new ATOM 0 HH22 ARG A 117 -4.006 -12.285 -24.824 1.00 0.00 H new ATOM 1803 N ALA A 118 1.460 -10.720 -17.401 1.00 0.00 N ATOM 1804 CA ALA A 118 2.885 -10.665 -16.965 1.00 0.00 C ATOM 1805 C ALA A 118 3.012 -11.320 -15.588 1.00 0.00 C ATOM 1806 O ALA A 118 3.822 -12.199 -15.377 1.00 0.00 O ATOM 1807 CB ALA A 118 3.333 -9.204 -16.878 1.00 0.00 C ATOM 0 H ALA A 118 1.084 -9.849 -17.775 1.00 0.00 H new ATOM 0 HA ALA A 118 3.512 -11.194 -17.683 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.375 -9.161 -16.559 1.00 0.00 H new ATOM 0 HB2 ALA A 118 3.233 -8.734 -17.856 1.00 0.00 H new ATOM 0 HB3 ALA A 118 2.711 -8.675 -16.156 1.00 0.00 H new ATOM 1813 N ILE A 119 2.240 -10.868 -14.640 1.00 0.00 N ATOM 1814 CA ILE A 119 2.318 -11.428 -13.268 1.00 0.00 C ATOM 1815 C ILE A 119 2.506 -12.955 -13.311 1.00 0.00 C ATOM 1816 O ILE A 119 3.289 -13.511 -12.567 1.00 0.00 O ATOM 1817 CB ILE A 119 1.009 -11.114 -12.546 1.00 0.00 C ATOM 1818 CG1 ILE A 119 0.630 -9.643 -12.758 1.00 0.00 C ATOM 1819 CG2 ILE A 119 1.177 -11.381 -11.047 1.00 0.00 C ATOM 1820 CD1 ILE A 119 -0.507 -9.268 -11.805 1.00 0.00 C ATOM 0 H ILE A 119 1.551 -10.126 -14.762 1.00 0.00 H new ATOM 0 HA ILE A 119 3.169 -10.986 -12.750 1.00 0.00 H new ATOM 0 HB ILE A 119 0.220 -11.749 -12.949 1.00 0.00 H new ATOM 0 HG12 ILE A 119 1.495 -9.004 -12.579 1.00 0.00 H new ATOM 0 HG13 ILE A 119 0.322 -9.481 -13.791 1.00 0.00 H new ATOM 0 HG21 ILE A 119 0.243 -11.157 -10.531 1.00 0.00 H new ATOM 0 HG22 ILE A 119 1.436 -12.428 -10.891 1.00 0.00 H new ATOM 0 HG23 ILE A 119 1.971 -10.748 -10.651 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -0.777 -8.223 -11.955 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -1.373 -9.899 -12.005 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -0.182 -9.415 -10.775 1.00 0.00 H new ATOM 1832 N SER A 120 1.770 -13.640 -14.155 1.00 0.00 N ATOM 1833 CA SER A 120 1.889 -15.134 -14.210 1.00 0.00 C ATOM 1834 C SER A 120 3.020 -15.561 -15.153 1.00 0.00 C ATOM 1835 O SER A 120 3.536 -16.655 -15.049 1.00 0.00 O ATOM 1836 CB SER A 120 0.570 -15.728 -14.706 1.00 0.00 C ATOM 1837 OG SER A 120 -0.154 -14.736 -15.422 1.00 0.00 O ATOM 0 H SER A 120 1.096 -13.233 -14.804 1.00 0.00 H new ATOM 0 HA SER A 120 2.116 -15.499 -13.208 1.00 0.00 H new ATOM 0 HB2 SER A 120 0.764 -16.587 -15.348 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.020 -16.087 -13.863 1.00 0.00 H new ATOM 0 HG SER A 120 -0.999 -15.115 -15.742 1.00 0.00 H new ATOM 1843 N HIS A 121 3.393 -14.719 -16.074 1.00 0.00 N ATOM 1844 CA HIS A 121 4.481 -15.071 -17.035 1.00 0.00 C ATOM 1845 C HIS A 121 5.588 -15.870 -16.331 1.00 0.00 C ATOM 1846 O HIS A 121 5.942 -16.953 -16.753 1.00 0.00 O ATOM 1847 CB HIS A 121 5.073 -13.783 -17.615 1.00 0.00 C ATOM 1848 CG HIS A 121 6.164 -14.123 -18.591 1.00 0.00 C ATOM 1849 ND1 HIS A 121 5.964 -14.983 -19.660 1.00 0.00 N ATOM 1850 CD2 HIS A 121 7.474 -13.722 -18.674 1.00 0.00 C ATOM 1851 CE1 HIS A 121 7.126 -15.069 -20.333 1.00 0.00 C ATOM 1852 NE2 HIS A 121 8.079 -14.320 -19.774 1.00 0.00 N ATOM 0 H HIS A 121 2.988 -13.792 -16.206 1.00 0.00 H new ATOM 0 HA HIS A 121 4.063 -15.685 -17.833 1.00 0.00 H new ATOM 0 HB2 HIS A 121 4.294 -13.205 -18.112 1.00 0.00 H new ATOM 0 HB3 HIS A 121 5.470 -13.160 -16.813 1.00 0.00 H new ATOM 0 HD2 HIS A 121 7.961 -13.044 -17.989 1.00 0.00 H new ATOM 0 HE1 HIS A 121 7.270 -15.671 -21.218 1.00 0.00 H new ATOM 0 HE2 HIS A 121 9.044 -14.210 -20.087 1.00 0.00 H new ATOM 1860 N TYR A 122 6.149 -15.341 -15.274 1.00 0.00 N ATOM 1861 CA TYR A 122 7.239 -16.069 -14.568 1.00 0.00 C ATOM 1862 C TYR A 122 6.654 -16.956 -13.456 1.00 0.00 C ATOM 1863 O TYR A 122 7.121 -16.962 -12.335 1.00 0.00 O ATOM 1864 CB TYR A 122 8.221 -15.037 -13.989 1.00 0.00 C ATOM 1865 CG TYR A 122 7.760 -14.551 -12.631 1.00 0.00 C ATOM 1866 CD1 TYR A 122 6.631 -13.732 -12.521 1.00 0.00 C ATOM 1867 CD2 TYR A 122 8.471 -14.922 -11.483 1.00 0.00 C ATOM 1868 CE1 TYR A 122 6.212 -13.284 -11.261 1.00 0.00 C ATOM 1869 CE2 TYR A 122 8.052 -14.476 -10.224 1.00 0.00 C ATOM 1870 CZ TYR A 122 6.923 -13.656 -10.113 1.00 0.00 C ATOM 1871 OH TYR A 122 6.511 -13.214 -8.871 1.00 0.00 O ATOM 0 H TYR A 122 5.898 -14.438 -14.872 1.00 0.00 H new ATOM 0 HA TYR A 122 7.767 -16.719 -15.265 1.00 0.00 H new ATOM 0 HB2 TYR A 122 9.212 -15.482 -13.903 1.00 0.00 H new ATOM 0 HB3 TYR A 122 8.309 -14.191 -14.671 1.00 0.00 H new ATOM 0 HD1 TYR A 122 6.083 -13.445 -13.406 1.00 0.00 H new ATOM 0 HD2 TYR A 122 9.343 -15.553 -11.569 1.00 0.00 H new ATOM 0 HE1 TYR A 122 5.341 -12.652 -11.175 1.00 0.00 H new ATOM 0 HE2 TYR A 122 8.599 -14.764 -9.339 1.00 0.00 H new ATOM 0 HH TYR A 122 7.114 -13.565 -8.182 1.00 0.00 H new ATOM 1881 N GLN A 123 5.640 -17.720 -13.762 1.00 0.00 N ATOM 1882 CA GLN A 123 5.042 -18.604 -12.722 1.00 0.00 C ATOM 1883 C GLN A 123 5.987 -19.777 -12.451 1.00 0.00 C ATOM 1884 O GLN A 123 6.020 -20.322 -11.365 1.00 0.00 O ATOM 1885 CB GLN A 123 3.691 -19.135 -13.210 1.00 0.00 C ATOM 1886 CG GLN A 123 2.647 -18.962 -12.104 1.00 0.00 C ATOM 1887 CD GLN A 123 2.049 -20.323 -11.746 1.00 0.00 C ATOM 1888 OE1 GLN A 123 0.917 -20.609 -12.082 1.00 0.00 O ATOM 1889 NE2 GLN A 123 2.767 -21.180 -11.074 1.00 0.00 N ATOM 0 H GLN A 123 5.202 -17.770 -14.682 1.00 0.00 H new ATOM 0 HA GLN A 123 4.893 -18.035 -11.804 1.00 0.00 H new ATOM 0 HB2 GLN A 123 3.379 -18.599 -14.106 1.00 0.00 H new ATOM 0 HB3 GLN A 123 3.778 -20.187 -13.482 1.00 0.00 H new ATOM 0 HG2 GLN A 123 3.106 -18.512 -11.224 1.00 0.00 H new ATOM 0 HG3 GLN A 123 1.861 -18.284 -12.435 1.00 0.00 H new ATOM 0 HE21 GLN A 123 3.717 -20.939 -10.792 1.00 0.00 H new ATOM 0 HE22 GLN A 123 2.378 -22.091 -10.830 1.00 0.00 H new ATOM 1898 N GLU A 124 6.757 -20.168 -13.427 1.00 0.00 N ATOM 1899 CA GLU A 124 7.701 -21.302 -13.221 1.00 0.00 C ATOM 1900 C GLU A 124 9.054 -20.958 -13.846 1.00 0.00 C ATOM 1901 O GLU A 124 9.275 -19.792 -14.130 1.00 0.00 O ATOM 1902 CB GLU A 124 7.139 -22.562 -13.878 1.00 0.00 C ATOM 1903 CG GLU A 124 7.337 -23.754 -12.941 1.00 0.00 C ATOM 1904 CD GLU A 124 6.091 -23.932 -12.072 1.00 0.00 C ATOM 1905 OE1 GLU A 124 5.042 -24.217 -12.626 1.00 0.00 O ATOM 1906 OE2 GLU A 124 6.206 -23.773 -10.868 1.00 0.00 O ATOM 1907 OXT GLU A 124 9.849 -21.866 -14.029 1.00 0.00 O ATOM 0 H GLU A 124 6.774 -19.752 -14.358 1.00 0.00 H new ATOM 0 HA GLU A 124 7.829 -21.479 -12.153 1.00 0.00 H new ATOM 0 HB2 GLU A 124 6.080 -22.430 -14.097 1.00 0.00 H new ATOM 0 HB3 GLU A 124 7.641 -22.745 -14.828 1.00 0.00 H new ATOM 0 HG2 GLU A 124 7.522 -24.659 -13.520 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.213 -23.594 -12.312 1.00 0.00 H new