USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 960 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 84 HIS : no HD1:sc= -0.946 X(o=-0.94,f=-0.96) USER MOD Set 1.2: A 85 SER OG : rot -120:sc= 0.00221 USER MOD Set 2.1: A 68 GLN : amide:sc= 0.337 K(o=0.62,f=-1.3) USER MOD Set 2.2: A 71 GLN : amide:sc= 0.285 K(o=0.62,f=-1) USER MOD Set 3.1: A 47 THR OG1 : rot -115:sc= 0.158 USER MOD Set 3.2: A 73 HIS : no HE2:sc= -2.71! C(o=-2.6!,f=-5!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 171:sc= -0.234 (180deg=-0.316) USER MOD Single : A 2 GLN : amide:sc= -0.376 K(o=-0.38,f=-3.1!) 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 150:sc= -0.465 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 116:sc= -3.43! USER MOD Single : A 35 ASN :FLIP amide:sc= 0.0916 F(o=-1,f=0.092) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.179 F(o=-1,f=-0.18) USER MOD Single : A 45 SER OG : rot -4:sc= 0.833! USER MOD Single : A 46 LYS NZ :NH3+ 161:sc= 0 (180deg=-0.322) USER MOD Single : A 53 SER OG : rot 100:sc= -3.19! 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 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 180:sc= -10.3! (180deg=-10.3!) USER MOD Single : A 82 THR OG1 : rot 155:sc= 0.00029 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= -0.735 X(o=-0.74,f=-0.78) USER MOD Single : A 96 GLN :FLIP amide:sc= -8.7! C(o=-9.6!,f=-8.7!) USER MOD Single : A 101 TYR OH : rot -15:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ -143:sc= 0.826 (180deg=0.235) USER MOD Single : A 120 SER OG : rot 90:sc= 0.0121 USER MOD Single : A 121 HIS : no HE2:sc= 0.682 K(o=0.68,f=-3.5!) USER MOD Single : A 122 TYR OH : rot 130:sc= -0.0835 USER MOD Single : A 123 GLN : amide:sc= -0.0247 K(o=-0.025,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.358 -18.443 -6.381 1.00 0.00 N ATOM 2 CA MET A 1 11.897 -18.250 -6.606 1.00 0.00 C ATOM 3 C MET A 1 11.384 -17.032 -5.845 1.00 0.00 C ATOM 4 O MET A 1 10.237 -17.000 -5.399 1.00 0.00 O ATOM 5 CB MET A 1 11.153 -19.509 -6.150 1.00 0.00 C ATOM 6 CG MET A 1 11.578 -20.767 -6.891 1.00 0.00 C ATOM 7 SD MET A 1 10.271 -22.005 -6.969 1.00 0.00 S ATOM 8 CE MET A 1 11.155 -23.387 -7.689 1.00 0.00 C ATOM 0 H1 MET A 1 13.653 -19.357 -6.781 1.00 0.00 H new ATOM 0 H2 MET A 1 13.885 -17.676 -6.845 1.00 0.00 H new ATOM 0 H3 MET A 1 13.557 -18.431 -5.360 1.00 0.00 H new ATOM 0 HA MET A 1 11.720 -18.079 -7.668 1.00 0.00 H new ATOM 0 HB2 MET A 1 11.319 -19.652 -5.082 1.00 0.00 H new ATOM 0 HB3 MET A 1 10.082 -19.359 -6.289 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.882 -20.502 -7.904 1.00 0.00 H new ATOM 0 HG3 MET A 1 12.450 -21.196 -6.398 1.00 0.00 H new ATOM 0 HE1 MET A 1 10.478 -24.234 -7.801 1.00 0.00 H new ATOM 0 HE2 MET A 1 11.543 -23.101 -8.667 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.983 -23.668 -7.038 1.00 0.00 H new ATOM 20 N GLN A 2 12.247 -16.032 -5.696 1.00 0.00 N ATOM 21 CA GLN A 2 11.891 -14.809 -4.984 1.00 0.00 C ATOM 22 C GLN A 2 10.725 -14.098 -5.663 1.00 0.00 C ATOM 23 O GLN A 2 10.515 -14.238 -6.868 1.00 0.00 O ATOM 24 CB GLN A 2 13.099 -13.872 -4.907 1.00 0.00 C ATOM 25 CG GLN A 2 13.669 -13.728 -3.505 1.00 0.00 C ATOM 26 CD GLN A 2 15.126 -14.140 -3.417 1.00 0.00 C ATOM 27 OE1 GLN A 2 15.767 -14.416 -4.430 1.00 0.00 O ATOM 28 NE2 GLN A 2 15.655 -14.185 -2.200 1.00 0.00 N ATOM 0 H GLN A 2 13.200 -16.045 -6.060 1.00 0.00 H new ATOM 0 HA GLN A 2 11.584 -15.084 -3.975 1.00 0.00 H new ATOM 0 HB2 GLN A 2 13.879 -14.244 -5.571 1.00 0.00 H new ATOM 0 HB3 GLN A 2 12.809 -12.888 -5.275 1.00 0.00 H new ATOM 0 HG2 GLN A 2 13.569 -12.692 -3.182 1.00 0.00 H new ATOM 0 HG3 GLN A 2 13.082 -14.335 -2.815 1.00 0.00 H new ATOM 0 HE21 GLN A 2 15.086 -13.948 -1.387 1.00 0.00 H new ATOM 0 HE22 GLN A 2 16.630 -14.457 -2.078 1.00 0.00 H new ATOM 37 N ARG A 3 9.978 -13.324 -4.884 1.00 0.00 N ATOM 38 CA ARG A 3 8.845 -12.583 -5.411 1.00 0.00 C ATOM 39 C ARG A 3 8.568 -11.347 -4.563 1.00 0.00 C ATOM 40 O ARG A 3 7.579 -11.289 -3.832 1.00 0.00 O ATOM 41 CB ARG A 3 7.599 -13.466 -5.477 1.00 0.00 C ATOM 42 CG ARG A 3 6.451 -12.832 -6.249 1.00 0.00 C ATOM 43 CD ARG A 3 5.975 -13.730 -7.381 1.00 0.00 C ATOM 44 NE ARG A 3 4.903 -13.114 -8.162 1.00 0.00 N ATOM 45 CZ ARG A 3 3.606 -13.368 -7.989 1.00 0.00 C ATOM 46 NH1 ARG A 3 3.202 -14.211 -7.047 1.00 0.00 N ATOM 47 NH2 ARG A 3 2.706 -12.770 -8.759 1.00 0.00 N ATOM 0 H ARG A 3 10.139 -13.195 -3.885 1.00 0.00 H new ATOM 0 HA ARG A 3 9.096 -12.263 -6.422 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.860 -14.416 -5.943 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.266 -13.689 -4.463 1.00 0.00 H new ATOM 0 HG2 ARG A 3 5.622 -12.631 -5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 3 6.771 -11.872 -6.655 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.814 -13.960 -8.037 1.00 0.00 H new ATOM 0 HD3 ARG A 3 5.624 -14.676 -6.969 1.00 0.00 H new ATOM 0 HE ARG A 3 5.165 -12.446 -8.887 1.00 0.00 H new ATOM 0 HH11 ARG A 3 3.886 -14.671 -6.447 1.00 0.00 H new ATOM 0 HH12 ARG A 3 2.207 -14.398 -6.923 1.00 0.00 H new ATOM 0 HH21 ARG A 3 3.007 -12.117 -9.482 1.00 0.00 H new ATOM 0 HH22 ARG A 3 1.713 -12.964 -8.628 1.00 0.00 H new ATOM 61 N GLY A 4 9.446 -10.359 -4.675 1.00 0.00 N ATOM 62 CA GLY A 4 9.280 -9.132 -3.923 1.00 0.00 C ATOM 63 C GLY A 4 8.679 -8.032 -4.770 1.00 0.00 C ATOM 64 O GLY A 4 9.379 -7.390 -5.554 1.00 0.00 O ATOM 0 H GLY A 4 10.271 -10.386 -5.274 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.640 -9.318 -3.061 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.247 -8.808 -3.538 1.00 0.00 H new ATOM 68 N ILE A 5 7.378 -7.820 -4.628 1.00 0.00 N ATOM 69 CA ILE A 5 6.692 -6.800 -5.404 1.00 0.00 C ATOM 70 C ILE A 5 6.060 -5.744 -4.506 1.00 0.00 C ATOM 71 O ILE A 5 5.103 -6.025 -3.784 1.00 0.00 O ATOM 72 CB ILE A 5 5.580 -7.411 -6.280 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.015 -8.751 -6.893 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.171 -6.436 -7.371 1.00 0.00 C ATOM 75 CD1 ILE A 5 7.424 -8.767 -7.451 1.00 0.00 C ATOM 0 H ILE A 5 6.780 -8.339 -3.985 1.00 0.00 H new ATOM 0 HA ILE A 5 7.450 -6.338 -6.037 1.00 0.00 H new ATOM 0 HB ILE A 5 4.721 -7.605 -5.638 1.00 0.00 H new ATOM 0 HG12 ILE A 5 5.932 -9.527 -6.132 1.00 0.00 H new ATOM 0 HG13 ILE A 5 5.320 -9.012 -7.691 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.385 -6.881 -7.981 1.00 0.00 H new ATOM 0 HG22 ILE A 5 4.801 -5.517 -6.917 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.033 -6.209 -7.998 1.00 0.00 H new ATOM 0 HD11 ILE A 5 7.641 -9.753 -7.862 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.512 -8.018 -8.238 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.133 -8.541 -6.655 1.00 0.00 H new ATOM 87 N VAL A 6 6.577 -4.522 -4.570 1.00 0.00 N ATOM 88 CA VAL A 6 6.026 -3.431 -3.779 1.00 0.00 C ATOM 89 C VAL A 6 5.241 -2.475 -4.671 1.00 0.00 C ATOM 90 O VAL A 6 5.796 -1.861 -5.579 1.00 0.00 O ATOM 91 CB VAL A 6 7.112 -2.636 -3.021 1.00 0.00 C ATOM 92 CG1 VAL A 6 7.986 -1.855 -3.983 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.471 -1.694 -2.013 1.00 0.00 C ATOM 0 H VAL A 6 7.371 -4.264 -5.157 1.00 0.00 H new ATOM 0 HA VAL A 6 5.368 -3.886 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 6 7.742 -3.349 -2.489 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.742 -1.305 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.475 -2.544 -4.672 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.370 -1.154 -4.547 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.249 -1.141 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.817 -0.994 -2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.888 -2.271 -1.296 1.00 0.00 H new ATOM 103 N TRP A 7 3.951 -2.345 -4.411 1.00 0.00 N ATOM 104 CA TRP A 7 3.114 -1.451 -5.196 1.00 0.00 C ATOM 105 C TRP A 7 2.664 -0.278 -4.333 1.00 0.00 C ATOM 106 O TRP A 7 2.108 -0.464 -3.252 1.00 0.00 O ATOM 107 CB TRP A 7 1.931 -2.218 -5.793 1.00 0.00 C ATOM 108 CG TRP A 7 2.309 -2.971 -7.036 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.575 -3.206 -7.491 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.426 -3.588 -7.980 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.535 -3.899 -8.673 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.226 -4.157 -8.991 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.038 -3.711 -8.073 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.682 -4.835 -10.079 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.502 -4.386 -9.152 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.318 -4.940 -10.142 1.00 0.00 C ATOM 0 H TRP A 7 3.462 -2.843 -3.667 1.00 0.00 H new ATOM 0 HA TRP A 7 3.688 -1.048 -6.030 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.542 -2.916 -5.052 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.127 -1.519 -6.025 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.479 -2.891 -6.991 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.346 -4.177 -9.226 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.603 -3.286 -7.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.312 -5.262 -10.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.574 -4.488 -9.232 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.134 -5.461 -10.973 1.00 0.00 H new ATOM 127 N VAL A 8 2.963 0.933 -4.798 1.00 0.00 N ATOM 128 CA VAL A 8 2.646 2.144 -4.048 1.00 0.00 C ATOM 129 C VAL A 8 1.664 3.039 -4.786 1.00 0.00 C ATOM 130 O VAL A 8 1.803 3.281 -5.979 1.00 0.00 O ATOM 131 CB VAL A 8 3.923 2.971 -3.767 1.00 0.00 C ATOM 132 CG1 VAL A 8 3.817 3.720 -2.444 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.161 2.082 -3.791 1.00 0.00 C ATOM 0 H VAL A 8 3.425 1.101 -5.692 1.00 0.00 H new ATOM 0 HA VAL A 8 2.194 1.809 -3.115 1.00 0.00 H new ATOM 0 HB VAL A 8 4.021 3.712 -4.560 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.730 4.292 -2.275 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.965 4.399 -2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.681 3.006 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.046 2.686 -3.591 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.069 1.309 -3.028 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.254 1.615 -4.771 1.00 0.00 H new ATOM 143 N VAL A 9 0.685 3.556 -4.059 1.00 0.00 N ATOM 144 CA VAL A 9 -0.293 4.455 -4.647 1.00 0.00 C ATOM 145 C VAL A 9 -0.274 5.792 -3.914 1.00 0.00 C ATOM 146 O VAL A 9 -0.573 5.862 -2.723 1.00 0.00 O ATOM 147 CB VAL A 9 -1.730 3.869 -4.654 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.328 3.982 -6.048 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.753 2.418 -4.193 1.00 0.00 C ATOM 0 H VAL A 9 0.548 3.369 -3.066 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.009 4.597 -5.690 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.328 4.448 -3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.337 3.569 -6.046 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.366 5.030 -6.344 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.710 3.428 -6.755 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.777 2.046 -4.213 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.135 1.815 -4.858 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.363 2.353 -3.177 1.00 0.00 H new ATOM 159 N ASP A 10 0.109 6.845 -4.635 1.00 0.00 N ATOM 160 CA ASP A 10 0.202 8.186 -4.066 1.00 0.00 C ATOM 161 C ASP A 10 0.417 9.215 -5.177 1.00 0.00 C ATOM 162 O ASP A 10 -0.008 8.999 -6.311 1.00 0.00 O ATOM 163 CB ASP A 10 1.328 8.227 -3.020 1.00 0.00 C ATOM 164 CG ASP A 10 1.166 9.351 -2.003 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.432 9.164 -1.004 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.778 10.419 -2.205 1.00 0.00 O ATOM 0 H ASP A 10 0.361 6.792 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.731 8.439 -3.563 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.361 7.273 -2.494 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.284 8.343 -3.530 1.00 0.00 H new ATOM 171 N ASP A 11 1.056 10.330 -4.853 1.00 0.00 N ATOM 172 CA ASP A 11 1.304 11.387 -5.834 1.00 0.00 C ATOM 173 C ASP A 11 2.270 10.945 -6.938 1.00 0.00 C ATOM 174 O ASP A 11 2.669 11.754 -7.775 1.00 0.00 O ATOM 175 CB ASP A 11 1.847 12.639 -5.143 1.00 0.00 C ATOM 176 CG ASP A 11 1.265 13.912 -5.721 1.00 0.00 C ATOM 177 OD1 ASP A 11 0.167 14.316 -5.282 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.903 14.503 -6.618 1.00 0.00 O ATOM 0 H ASP A 11 1.414 10.530 -3.919 1.00 0.00 H new ATOM 0 HA ASP A 11 0.347 11.613 -6.305 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.622 12.590 -4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.933 12.662 -5.239 1.00 0.00 H new ATOM 183 N ASP A 12 2.645 9.663 -6.941 1.00 0.00 N ATOM 184 CA ASP A 12 3.555 9.123 -7.949 1.00 0.00 C ATOM 185 C ASP A 12 4.777 10.029 -8.145 1.00 0.00 C ATOM 186 O ASP A 12 5.237 10.662 -7.195 1.00 0.00 O ATOM 187 CB ASP A 12 2.801 8.911 -9.271 1.00 0.00 C ATOM 188 CG ASP A 12 2.397 10.214 -9.933 1.00 0.00 C ATOM 189 OD1 ASP A 12 3.202 10.755 -10.721 1.00 0.00 O ATOM 190 OD2 ASP A 12 1.276 10.694 -9.664 1.00 0.00 O ATOM 0 H ASP A 12 2.330 8.979 -6.253 1.00 0.00 H new ATOM 0 HA ASP A 12 3.926 8.160 -7.599 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.430 8.341 -9.955 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.910 8.312 -9.084 1.00 0.00 H new ATOM 195 N SER A 13 5.290 10.091 -9.381 1.00 0.00 N ATOM 196 CA SER A 13 6.445 10.918 -9.725 1.00 0.00 C ATOM 197 C SER A 13 7.479 10.989 -8.601 1.00 0.00 C ATOM 198 O SER A 13 8.412 10.186 -8.556 1.00 0.00 O ATOM 199 CB SER A 13 5.960 12.305 -10.129 1.00 0.00 C ATOM 200 OG SER A 13 6.864 12.923 -11.026 1.00 0.00 O ATOM 0 H SER A 13 4.912 9.566 -10.170 1.00 0.00 H new ATOM 0 HA SER A 13 6.960 10.452 -10.565 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.977 12.228 -10.594 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.844 12.926 -9.240 1.00 0.00 H new ATOM 0 HG SER A 13 6.527 13.810 -11.270 1.00 0.00 H new ATOM 206 N SER A 14 7.317 11.948 -7.704 1.00 0.00 N ATOM 207 CA SER A 14 8.241 12.117 -6.592 1.00 0.00 C ATOM 208 C SER A 14 8.284 10.868 -5.719 1.00 0.00 C ATOM 209 O SER A 14 9.351 10.307 -5.479 1.00 0.00 O ATOM 210 CB SER A 14 7.845 13.332 -5.749 1.00 0.00 C ATOM 211 OG SER A 14 8.433 14.519 -6.257 1.00 0.00 O ATOM 0 H SER A 14 6.553 12.623 -7.724 1.00 0.00 H new ATOM 0 HA SER A 14 9.236 12.280 -7.005 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.760 13.435 -5.741 1.00 0.00 H new ATOM 0 HB3 SER A 14 8.159 13.180 -4.716 1.00 0.00 H new ATOM 0 HG SER A 14 8.164 15.281 -5.703 1.00 0.00 H new ATOM 217 N ILE A 15 7.119 10.432 -5.249 1.00 0.00 N ATOM 218 CA ILE A 15 7.034 9.249 -4.401 1.00 0.00 C ATOM 219 C ILE A 15 7.504 7.998 -5.138 1.00 0.00 C ATOM 220 O ILE A 15 8.045 7.072 -4.534 1.00 0.00 O ATOM 221 CB ILE A 15 5.596 9.015 -3.890 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.991 10.312 -3.339 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.587 7.928 -2.827 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.680 10.826 -2.097 1.00 0.00 C ATOM 0 H ILE A 15 6.223 10.880 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 15 7.690 9.434 -3.550 1.00 0.00 H new ATOM 0 HB ILE A 15 4.983 8.689 -4.730 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.035 11.080 -4.112 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.937 10.144 -3.116 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.567 7.772 -2.475 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.970 7.000 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.217 8.231 -1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.196 11.745 -1.767 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.613 10.077 -1.308 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.728 11.027 -2.319 1.00 0.00 H new ATOM 236 N ARG A 16 7.283 7.980 -6.441 1.00 0.00 N ATOM 237 CA ARG A 16 7.668 6.846 -7.276 1.00 0.00 C ATOM 238 C ARG A 16 9.182 6.729 -7.398 1.00 0.00 C ATOM 239 O ARG A 16 9.750 5.650 -7.224 1.00 0.00 O ATOM 240 CB ARG A 16 7.048 6.997 -8.665 1.00 0.00 C ATOM 241 CG ARG A 16 7.356 5.845 -9.608 1.00 0.00 C ATOM 242 CD ARG A 16 7.045 6.208 -11.051 1.00 0.00 C ATOM 243 NE ARG A 16 8.252 6.277 -11.868 1.00 0.00 N ATOM 244 CZ ARG A 16 8.289 6.802 -13.089 1.00 0.00 C ATOM 245 NH1 ARG A 16 7.195 7.328 -13.628 1.00 0.00 N ATOM 246 NH2 ARG A 16 9.427 6.807 -13.772 1.00 0.00 N ATOM 0 H ARG A 16 6.836 8.742 -6.950 1.00 0.00 H new ATOM 0 HA ARG A 16 7.299 5.937 -6.802 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.967 7.089 -8.561 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.405 7.925 -9.112 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.407 5.572 -9.519 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.774 4.970 -9.318 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.363 5.469 -11.472 1.00 0.00 H new ATOM 0 HD3 ARG A 16 6.531 7.169 -11.081 1.00 0.00 H new ATOM 0 HE ARG A 16 9.117 5.901 -11.480 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.319 7.331 -13.105 1.00 0.00 H new ATOM 0 HH12 ARG A 16 7.230 7.729 -14.565 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.271 6.409 -13.360 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.458 7.209 -14.709 1.00 0.00 H new ATOM 260 N TRP A 17 9.822 7.843 -7.714 1.00 0.00 N ATOM 261 CA TRP A 17 11.268 7.879 -7.881 1.00 0.00 C ATOM 262 C TRP A 17 12.000 7.504 -6.600 1.00 0.00 C ATOM 263 O TRP A 17 12.799 6.575 -6.583 1.00 0.00 O ATOM 264 CB TRP A 17 11.706 9.275 -8.319 1.00 0.00 C ATOM 265 CG TRP A 17 13.126 9.346 -8.799 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.638 8.774 -9.927 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.213 10.037 -8.169 1.00 0.00 C ATOM 268 NE1 TRP A 17 14.977 9.068 -10.039 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.352 9.842 -8.973 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.334 10.803 -7.005 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.594 10.385 -8.650 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.568 11.341 -6.686 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.683 11.130 -7.507 1.00 0.00 C ATOM 0 H TRP A 17 9.360 8.741 -7.861 1.00 0.00 H new ATOM 0 HA TRP A 17 11.525 7.145 -8.645 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.046 9.618 -9.116 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.581 9.963 -7.483 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.074 8.178 -10.629 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.591 8.760 -10.793 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.479 10.971 -6.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.456 10.223 -9.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.673 11.933 -5.789 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.633 11.565 -7.232 1.00 0.00 H new ATOM 284 N VAL A 18 11.749 8.248 -5.534 1.00 0.00 N ATOM 285 CA VAL A 18 12.430 7.994 -4.269 1.00 0.00 C ATOM 286 C VAL A 18 12.250 6.560 -3.788 1.00 0.00 C ATOM 287 O VAL A 18 13.178 5.959 -3.248 1.00 0.00 O ATOM 288 CB VAL A 18 11.981 8.943 -3.132 1.00 0.00 C ATOM 289 CG1 VAL A 18 13.111 9.137 -2.134 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.516 10.293 -3.659 1.00 0.00 C ATOM 0 H VAL A 18 11.087 9.024 -5.516 1.00 0.00 H new ATOM 0 HA VAL A 18 13.481 8.179 -4.489 1.00 0.00 H new ATOM 0 HB VAL A 18 11.131 8.474 -2.636 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.783 9.807 -1.339 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.388 8.174 -1.706 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.973 9.570 -2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.211 10.924 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.332 10.774 -4.198 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.671 10.149 -4.333 1.00 0.00 H new ATOM 300 N LEU A 19 11.049 6.030 -3.946 1.00 0.00 N ATOM 301 CA LEU A 19 10.744 4.682 -3.478 1.00 0.00 C ATOM 302 C LEU A 19 11.134 3.587 -4.464 1.00 0.00 C ATOM 303 O LEU A 19 11.345 2.447 -4.064 1.00 0.00 O ATOM 304 CB LEU A 19 9.257 4.560 -3.124 1.00 0.00 C ATOM 305 CG LEU A 19 8.967 3.786 -1.839 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.741 4.383 -0.676 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.475 3.787 -1.547 1.00 0.00 C ATOM 0 H LEU A 19 10.268 6.509 -4.394 1.00 0.00 H new ATOM 0 HA LEU A 19 11.354 4.530 -2.588 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.836 5.561 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.740 4.072 -3.950 1.00 0.00 H new ATOM 0 HG LEU A 19 9.290 2.754 -1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.524 3.821 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.809 4.334 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.446 5.423 -0.538 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.284 3.232 -0.629 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.128 4.814 -1.429 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.942 3.316 -2.373 1.00 0.00 H new ATOM 319 N GLU A 20 11.210 3.907 -5.742 1.00 0.00 N ATOM 320 CA GLU A 20 11.551 2.893 -6.733 1.00 0.00 C ATOM 321 C GLU A 20 12.989 2.400 -6.597 1.00 0.00 C ATOM 322 O GLU A 20 13.222 1.205 -6.420 1.00 0.00 O ATOM 323 CB GLU A 20 11.295 3.393 -8.154 1.00 0.00 C ATOM 324 CG GLU A 20 12.217 4.501 -8.614 1.00 0.00 C ATOM 325 CD GLU A 20 11.827 5.051 -9.969 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.612 5.132 -10.247 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.734 5.397 -10.754 1.00 0.00 O ATOM 0 H GLU A 20 11.045 4.841 -6.118 1.00 0.00 H new ATOM 0 HA GLU A 20 10.895 2.045 -6.537 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.389 2.553 -8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.266 3.746 -8.220 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.206 5.307 -7.881 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.239 4.125 -8.658 1.00 0.00 H new ATOM 334 N ARG A 21 13.955 3.303 -6.721 1.00 0.00 N ATOM 335 CA ARG A 21 15.353 2.916 -6.646 1.00 0.00 C ATOM 336 C ARG A 21 15.704 2.256 -5.315 1.00 0.00 C ATOM 337 O ARG A 21 16.059 1.079 -5.271 1.00 0.00 O ATOM 338 CB ARG A 21 16.267 4.111 -6.864 1.00 0.00 C ATOM 339 CG ARG A 21 16.014 4.798 -8.177 1.00 0.00 C ATOM 340 CD ARG A 21 14.991 5.877 -8.004 1.00 0.00 C ATOM 341 NE ARG A 21 15.519 7.050 -7.297 1.00 0.00 N ATOM 342 CZ ARG A 21 15.399 7.257 -5.980 1.00 0.00 C ATOM 343 NH1 ARG A 21 14.769 6.382 -5.211 1.00 0.00 N ATOM 344 NH2 ARG A 21 15.902 8.352 -5.427 1.00 0.00 N ATOM 0 H ARG A 21 13.795 4.299 -6.873 1.00 0.00 H new ATOM 0 HA ARG A 21 15.507 2.187 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 21 16.127 4.824 -6.052 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.305 3.782 -6.824 1.00 0.00 H new ATOM 0 HG2 ARG A 21 16.942 5.224 -8.558 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.669 4.074 -8.915 1.00 0.00 H new ATOM 0 HD2 ARG A 21 14.623 6.183 -8.983 1.00 0.00 H new ATOM 0 HD3 ARG A 21 14.139 5.479 -7.453 1.00 0.00 H new ATOM 0 HE ARG A 21 16.011 7.755 -7.846 1.00 0.00 H new ATOM 0 HH11 ARG A 21 14.368 5.538 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 21 14.685 6.552 -4.209 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.383 9.041 -6.006 1.00 0.00 H new ATOM 0 HH22 ARG A 21 15.808 8.506 -4.423 1.00 0.00 H new ATOM 358 N ALA A 22 15.613 3.028 -4.233 1.00 0.00 N ATOM 359 CA ALA A 22 15.940 2.528 -2.899 1.00 0.00 C ATOM 360 C ALA A 22 15.270 1.194 -2.612 1.00 0.00 C ATOM 361 O ALA A 22 15.808 0.365 -1.876 1.00 0.00 O ATOM 362 CB ALA A 22 15.570 3.555 -1.837 1.00 0.00 C ATOM 0 H ALA A 22 15.315 4.003 -4.255 1.00 0.00 H new ATOM 0 HA ALA A 22 17.017 2.363 -2.868 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.821 3.165 -0.851 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.124 4.477 -2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.500 3.759 -1.885 1.00 0.00 H new ATOM 368 N LEU A 23 14.107 0.981 -3.198 1.00 0.00 N ATOM 369 CA LEU A 23 13.388 -0.268 -3.000 1.00 0.00 C ATOM 370 C LEU A 23 13.987 -1.365 -3.869 1.00 0.00 C ATOM 371 O LEU A 23 14.020 -2.538 -3.487 1.00 0.00 O ATOM 372 CB LEU A 23 11.907 -0.084 -3.303 1.00 0.00 C ATOM 373 CG LEU A 23 10.996 -1.204 -2.815 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.036 -2.383 -3.773 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.373 -1.639 -1.407 1.00 0.00 C ATOM 0 H LEU A 23 13.641 1.650 -3.811 1.00 0.00 H new ATOM 0 HA LEU A 23 13.486 -0.566 -1.956 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.575 0.853 -2.855 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.784 0.018 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 23 9.976 -0.822 -2.786 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.379 -3.172 -3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.702 -2.062 -4.760 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.056 -2.762 -3.841 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.707 -2.439 -1.083 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.402 -1.998 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.280 -0.792 -0.727 1.00 0.00 H new ATOM 387 N ALA A 24 14.488 -0.968 -5.028 1.00 0.00 N ATOM 388 CA ALA A 24 15.120 -1.908 -5.935 1.00 0.00 C ATOM 389 C ALA A 24 16.380 -2.459 -5.286 1.00 0.00 C ATOM 390 O ALA A 24 16.744 -3.616 -5.492 1.00 0.00 O ATOM 391 CB ALA A 24 15.439 -1.249 -7.270 1.00 0.00 C ATOM 0 H ALA A 24 14.469 -0.004 -5.361 1.00 0.00 H new ATOM 0 HA ALA A 24 14.431 -2.729 -6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.912 -1.976 -7.931 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.518 -0.889 -7.727 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.116 -0.410 -7.109 1.00 0.00 H new ATOM 397 N GLY A 25 17.025 -1.624 -4.473 1.00 0.00 N ATOM 398 CA GLY A 25 18.214 -2.053 -3.773 1.00 0.00 C ATOM 399 C GLY A 25 17.892 -3.149 -2.779 1.00 0.00 C ATOM 400 O GLY A 25 18.742 -3.978 -2.455 1.00 0.00 O ATOM 0 H GLY A 25 16.742 -0.661 -4.290 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.953 -2.412 -4.490 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.660 -1.205 -3.253 1.00 0.00 H new ATOM 404 N ALA A 26 16.648 -3.155 -2.305 1.00 0.00 N ATOM 405 CA ALA A 26 16.194 -4.155 -1.356 1.00 0.00 C ATOM 406 C ALA A 26 15.923 -5.481 -2.059 1.00 0.00 C ATOM 407 O ALA A 26 15.822 -6.526 -1.418 1.00 0.00 O ATOM 408 CB ALA A 26 14.947 -3.667 -0.633 1.00 0.00 C ATOM 0 H ALA A 26 15.937 -2.472 -2.568 1.00 0.00 H new ATOM 0 HA ALA A 26 16.982 -4.316 -0.620 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.617 -4.426 0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.174 -2.745 -0.098 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.156 -3.480 -1.359 1.00 0.00 H new ATOM 414 N GLY A 27 15.826 -5.434 -3.387 1.00 0.00 N ATOM 415 CA GLY A 27 15.595 -6.643 -4.154 1.00 0.00 C ATOM 416 C GLY A 27 14.143 -6.866 -4.522 1.00 0.00 C ATOM 417 O GLY A 27 13.731 -8.006 -4.737 1.00 0.00 O ATOM 0 H GLY A 27 15.903 -4.582 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.189 -6.602 -5.067 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.950 -7.499 -3.581 1.00 0.00 H new ATOM 421 N LEU A 28 13.357 -5.797 -4.605 1.00 0.00 N ATOM 422 CA LEU A 28 11.956 -5.938 -4.958 1.00 0.00 C ATOM 423 C LEU A 28 11.552 -4.966 -6.063 1.00 0.00 C ATOM 424 O LEU A 28 12.306 -4.060 -6.418 1.00 0.00 O ATOM 425 CB LEU A 28 11.064 -5.759 -3.729 1.00 0.00 C ATOM 426 CG LEU A 28 11.745 -6.014 -2.385 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.333 -4.733 -1.823 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.762 -6.632 -1.405 1.00 0.00 C ATOM 0 H LEU A 28 13.664 -4.839 -4.435 1.00 0.00 H new ATOM 0 HA LEU A 28 11.817 -6.949 -5.341 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.670 -4.743 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.211 -6.431 -3.819 1.00 0.00 H new ATOM 0 HG LEU A 28 12.564 -6.716 -2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.812 -4.942 -0.866 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.071 -4.335 -2.519 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.539 -4.001 -1.679 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.261 -6.808 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.922 -5.953 -1.255 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.397 -7.578 -1.804 1.00 0.00 H new ATOM 440 N THR A 29 10.355 -5.175 -6.607 1.00 0.00 N ATOM 441 CA THR A 29 9.836 -4.333 -7.682 1.00 0.00 C ATOM 442 C THR A 29 8.914 -3.254 -7.123 1.00 0.00 C ATOM 443 O THR A 29 7.865 -3.555 -6.554 1.00 0.00 O ATOM 444 CB THR A 29 9.090 -5.197 -8.709 1.00 0.00 C ATOM 445 OG1 THR A 29 9.997 -6.011 -9.435 1.00 0.00 O ATOM 446 CG2 THR A 29 8.291 -4.395 -9.716 1.00 0.00 C ATOM 0 H THR A 29 9.724 -5.923 -6.319 1.00 0.00 H new ATOM 0 HA THR A 29 10.674 -3.841 -8.176 1.00 0.00 H new ATOM 0 HB THR A 29 8.397 -5.798 -8.120 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.502 -6.555 -10.083 1.00 0.00 H new ATOM 0 HG21 THR A 29 7.792 -5.074 -10.408 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.545 -3.796 -9.194 1.00 0.00 H new ATOM 0 HG23 THR A 29 8.960 -3.738 -10.271 1.00 0.00 H new ATOM 454 N CYS A 30 9.315 -1.998 -7.284 1.00 0.00 N ATOM 455 CA CYS A 30 8.531 -0.880 -6.785 1.00 0.00 C ATOM 456 C CYS A 30 7.912 -0.075 -7.913 1.00 0.00 C ATOM 457 O CYS A 30 8.607 0.570 -8.696 1.00 0.00 O ATOM 458 CB CYS A 30 9.402 0.021 -5.911 1.00 0.00 C ATOM 459 SG CYS A 30 8.540 1.457 -5.231 1.00 0.00 S ATOM 0 H CYS A 30 10.179 -1.731 -7.756 1.00 0.00 H new ATOM 0 HA CYS A 30 7.716 -1.288 -6.187 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.804 -0.570 -5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.251 0.367 -6.500 1.00 0.00 H new ATOM 0 HG CYS A 30 9.068 1.779 -4.087 1.00 0.00 H new ATOM 465 N THR A 31 6.591 -0.105 -7.964 1.00 0.00 N ATOM 466 CA THR A 31 5.843 0.635 -8.960 1.00 0.00 C ATOM 467 C THR A 31 4.834 1.518 -8.240 1.00 0.00 C ATOM 468 O THR A 31 4.453 1.226 -7.105 1.00 0.00 O ATOM 469 CB THR A 31 5.128 -0.321 -9.926 1.00 0.00 C ATOM 470 OG1 THR A 31 4.798 0.331 -11.145 1.00 0.00 O ATOM 471 CG2 THR A 31 3.849 -0.871 -9.354 1.00 0.00 C ATOM 0 H THR A 31 6.011 -0.641 -7.318 1.00 0.00 H new ATOM 0 HA THR A 31 6.523 1.249 -9.550 1.00 0.00 H new ATOM 0 HB THR A 31 5.830 -1.137 -10.098 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.345 -0.301 -11.742 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.385 -1.541 -10.078 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.067 -1.421 -8.439 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.168 -0.050 -9.130 1.00 0.00 H new ATOM 479 N THR A 32 4.416 2.595 -8.879 1.00 0.00 N ATOM 480 CA THR A 32 3.466 3.503 -8.260 1.00 0.00 C ATOM 481 C THR A 32 2.281 3.800 -9.169 1.00 0.00 C ATOM 482 O THR A 32 2.305 3.510 -10.365 1.00 0.00 O ATOM 483 CB THR A 32 4.171 4.789 -7.862 1.00 0.00 C ATOM 484 OG1 THR A 32 4.645 5.481 -9.005 1.00 0.00 O ATOM 485 CG2 THR A 32 5.346 4.536 -6.944 1.00 0.00 C ATOM 0 H THR A 32 4.715 2.862 -9.817 1.00 0.00 H new ATOM 0 HA THR A 32 3.069 3.016 -7.369 1.00 0.00 H new ATOM 0 HB THR A 32 3.430 5.390 -7.334 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.182 6.342 -9.082 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.818 5.484 -6.687 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.998 4.046 -6.035 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.070 3.895 -7.448 1.00 0.00 H new ATOM 493 N PHE A 33 1.235 4.356 -8.571 1.00 0.00 N ATOM 494 CA PHE A 33 0.013 4.683 -9.288 1.00 0.00 C ATOM 495 C PHE A 33 -0.522 6.067 -8.900 1.00 0.00 C ATOM 496 O PHE A 33 0.031 6.738 -8.027 1.00 0.00 O ATOM 497 CB PHE A 33 -1.048 3.614 -9.066 1.00 0.00 C ATOM 498 CG PHE A 33 -0.605 2.217 -9.406 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.403 1.595 -8.684 1.00 0.00 C ATOM 500 CD2 PHE A 33 -1.215 1.517 -10.435 1.00 0.00 C ATOM 501 CE1 PHE A 33 0.794 0.304 -8.986 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.830 0.227 -10.739 1.00 0.00 C ATOM 503 CZ PHE A 33 0.176 -0.382 -10.015 1.00 0.00 C ATOM 0 H PHE A 33 1.211 4.592 -7.579 1.00 0.00 H new ATOM 0 HA PHE A 33 0.257 4.712 -10.350 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.359 3.639 -8.021 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.925 3.860 -9.665 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.887 2.125 -7.877 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.002 1.987 -11.006 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.582 -0.169 -8.418 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.315 -0.306 -11.543 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.479 -1.391 -10.252 1.00 0.00 H new ATOM 513 N GLU A 34 -1.576 6.496 -9.590 1.00 0.00 N ATOM 514 CA GLU A 34 -2.176 7.813 -9.377 1.00 0.00 C ATOM 515 C GLU A 34 -2.681 8.041 -7.947 1.00 0.00 C ATOM 516 O GLU A 34 -2.294 9.024 -7.313 1.00 0.00 O ATOM 517 CB GLU A 34 -3.344 8.003 -10.349 1.00 0.00 C ATOM 518 CG GLU A 34 -4.382 6.893 -10.271 1.00 0.00 C ATOM 519 CD GLU A 34 -5.586 7.256 -9.423 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.895 8.461 -9.308 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.220 6.327 -8.871 1.00 0.00 O ATOM 0 H GLU A 34 -2.038 5.943 -10.311 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.385 8.541 -9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.828 8.958 -10.142 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.956 8.056 -11.366 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.717 6.647 -11.279 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.915 5.997 -9.862 1.00 0.00 H new ATOM 528 N ASN A 35 -3.555 7.175 -7.437 1.00 0.00 N ATOM 529 CA ASN A 35 -4.086 7.374 -6.093 1.00 0.00 C ATOM 530 C ASN A 35 -4.508 6.076 -5.427 1.00 0.00 C ATOM 531 O ASN A 35 -4.283 5.887 -4.232 1.00 0.00 O ATOM 532 CB ASN A 35 -5.270 8.336 -6.135 1.00 0.00 C ATOM 533 CG ASN A 35 -5.659 8.828 -4.757 1.00 0.00 C ATOM 534 OD1 ASN A 35 -4.805 9.654 -4.165 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -6.712 8.469 -4.229 1.00 0.00 N flip ATOM 0 H ASN A 35 -3.903 6.348 -7.922 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.278 7.796 -5.495 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.020 9.189 -6.766 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.124 7.838 -6.595 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -7.338 7.832 -4.722 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.958 8.808 -3.299 1.00 0.00 H new ATOM 542 N GLY A 36 -5.111 5.187 -6.194 1.00 0.00 N ATOM 543 CA GLY A 36 -5.541 3.919 -5.639 1.00 0.00 C ATOM 544 C GLY A 36 -6.301 3.060 -6.623 1.00 0.00 C ATOM 545 O GLY A 36 -5.982 1.886 -6.801 1.00 0.00 O ATOM 0 H GLY A 36 -5.311 5.316 -7.186 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.668 3.370 -5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.171 4.106 -4.769 1.00 0.00 H new ATOM 549 N ASN A 37 -7.315 3.638 -7.260 1.00 0.00 N ATOM 550 CA ASN A 37 -8.121 2.898 -8.222 1.00 0.00 C ATOM 551 C ASN A 37 -7.248 2.318 -9.324 1.00 0.00 C ATOM 552 O ASN A 37 -7.577 1.285 -9.910 1.00 0.00 O ATOM 553 CB ASN A 37 -9.225 3.784 -8.799 1.00 0.00 C ATOM 554 CG ASN A 37 -10.604 3.352 -8.327 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.719 3.028 -7.039 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -11.555 3.311 -9.108 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.596 4.610 -7.128 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.598 2.067 -7.702 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.049 4.819 -8.507 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.187 3.749 -9.888 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.423 3.568 -10.086 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.475 3.021 -8.777 1.00 0.00 H new ATOM 563 N GLU A 38 -6.124 2.971 -9.592 1.00 0.00 N ATOM 564 CA GLU A 38 -5.206 2.492 -10.612 1.00 0.00 C ATOM 565 C GLU A 38 -4.684 1.102 -10.258 1.00 0.00 C ATOM 566 O GLU A 38 -4.813 0.169 -11.049 1.00 0.00 O ATOM 567 CB GLU A 38 -4.044 3.459 -10.777 1.00 0.00 C ATOM 568 CG GLU A 38 -3.544 3.578 -12.207 1.00 0.00 C ATOM 569 CD GLU A 38 -4.309 4.613 -13.009 1.00 0.00 C ATOM 570 OE1 GLU A 38 -5.548 4.678 -12.866 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.669 5.356 -13.783 1.00 0.00 O ATOM 0 H GLU A 38 -5.830 3.826 -9.121 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.748 2.429 -11.555 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.351 4.444 -10.426 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.221 3.136 -10.140 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.486 3.841 -12.197 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.627 2.609 -12.699 1.00 0.00 H new ATOM 578 N VAL A 39 -4.096 0.955 -9.063 1.00 0.00 N ATOM 579 CA VAL A 39 -3.573 -0.344 -8.641 1.00 0.00 C ATOM 580 C VAL A 39 -4.633 -1.433 -8.773 1.00 0.00 C ATOM 581 O VAL A 39 -4.351 -2.538 -9.232 1.00 0.00 O ATOM 582 CB VAL A 39 -3.074 -0.310 -7.182 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.544 -1.671 -6.758 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.997 0.740 -7.011 1.00 0.00 C ATOM 0 H VAL A 39 -3.973 1.707 -8.385 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.734 -0.570 -9.298 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.920 -0.053 -6.545 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.198 -1.621 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.339 -2.412 -6.839 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.715 -1.956 -7.405 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.658 0.748 -5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.157 0.509 -7.666 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.400 1.720 -7.269 1.00 0.00 H new ATOM 594 N LEU A 40 -5.851 -1.110 -8.358 1.00 0.00 N ATOM 595 CA LEU A 40 -6.964 -2.055 -8.414 1.00 0.00 C ATOM 596 C LEU A 40 -7.124 -2.645 -9.813 1.00 0.00 C ATOM 597 O LEU A 40 -7.338 -3.847 -9.966 1.00 0.00 O ATOM 598 CB LEU A 40 -8.258 -1.364 -7.985 1.00 0.00 C ATOM 599 CG LEU A 40 -8.125 -0.446 -6.767 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.463 0.182 -6.413 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.559 -1.216 -5.581 1.00 0.00 C ATOM 0 H LEU A 40 -6.096 -0.196 -7.977 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.746 -2.873 -7.728 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.635 -0.779 -8.823 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.005 -2.127 -7.767 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.433 0.358 -7.018 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.343 0.830 -5.545 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.824 0.770 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.184 -0.603 -6.183 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.471 -0.549 -4.723 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.225 -2.042 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.575 -1.609 -5.838 1.00 0.00 H new ATOM 613 N ALA A 41 -7.018 -1.796 -10.830 1.00 0.00 N ATOM 614 CA ALA A 41 -7.147 -2.250 -12.210 1.00 0.00 C ATOM 615 C ALA A 41 -6.006 -3.182 -12.575 1.00 0.00 C ATOM 616 O ALA A 41 -6.218 -4.272 -13.106 1.00 0.00 O ATOM 617 CB ALA A 41 -7.192 -1.071 -13.169 1.00 0.00 C ATOM 0 H ALA A 41 -6.844 -0.796 -10.726 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.086 -2.797 -12.297 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.288 -1.437 -14.191 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -8.046 -0.438 -12.928 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.274 -0.491 -13.076 1.00 0.00 H new ATOM 623 N ALA A 42 -4.796 -2.741 -12.275 1.00 0.00 N ATOM 624 CA ALA A 42 -3.599 -3.522 -12.553 1.00 0.00 C ATOM 625 C ALA A 42 -3.580 -4.791 -11.710 1.00 0.00 C ATOM 626 O ALA A 42 -3.033 -5.816 -12.119 1.00 0.00 O ATOM 627 CB ALA A 42 -2.349 -2.695 -12.287 1.00 0.00 C ATOM 0 H ALA A 42 -4.614 -1.839 -11.835 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.612 -3.805 -13.606 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.464 -3.295 -12.500 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.353 -1.813 -12.928 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.334 -2.384 -11.242 1.00 0.00 H new ATOM 633 N LEU A 43 -4.180 -4.706 -10.529 1.00 0.00 N ATOM 634 CA LEU A 43 -4.239 -5.834 -9.612 1.00 0.00 C ATOM 635 C LEU A 43 -5.001 -7.007 -10.222 1.00 0.00 C ATOM 636 O LEU A 43 -4.829 -8.152 -9.806 1.00 0.00 O ATOM 637 CB LEU A 43 -4.903 -5.407 -8.303 1.00 0.00 C ATOM 638 CG LEU A 43 -3.949 -4.911 -7.225 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.721 -4.231 -6.102 1.00 0.00 C ATOM 640 CD2 LEU A 43 -3.145 -6.073 -6.684 1.00 0.00 C ATOM 0 H LEU A 43 -4.635 -3.861 -10.184 1.00 0.00 H new ATOM 0 HA LEU A 43 -3.218 -6.161 -9.413 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.623 -4.618 -8.520 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.466 -6.252 -7.907 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.269 -4.180 -7.662 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.024 -3.883 -5.340 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.274 -3.382 -6.503 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.418 -4.941 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.463 -5.716 -5.913 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.820 -6.815 -6.256 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.572 -6.527 -7.493 1.00 0.00 H new ATOM 652 N ALA A 44 -5.845 -6.715 -11.204 1.00 0.00 N ATOM 653 CA ALA A 44 -6.630 -7.750 -11.862 1.00 0.00 C ATOM 654 C ALA A 44 -5.734 -8.741 -12.603 1.00 0.00 C ATOM 655 O ALA A 44 -6.179 -9.823 -12.986 1.00 0.00 O ATOM 656 CB ALA A 44 -7.634 -7.122 -12.820 1.00 0.00 C ATOM 0 H ALA A 44 -6.003 -5.773 -11.561 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.172 -8.301 -11.093 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.214 -7.907 -13.305 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.304 -6.465 -12.265 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -7.103 -6.544 -13.576 1.00 0.00 H new ATOM 662 N SER A 45 -4.472 -8.365 -12.807 1.00 0.00 N ATOM 663 CA SER A 45 -3.527 -9.220 -13.505 1.00 0.00 C ATOM 664 C SER A 45 -2.312 -9.565 -12.638 1.00 0.00 C ATOM 665 O SER A 45 -1.464 -10.358 -13.045 1.00 0.00 O ATOM 666 CB SER A 45 -3.070 -8.548 -14.802 1.00 0.00 C ATOM 667 OG SER A 45 -1.943 -9.210 -15.350 1.00 0.00 O ATOM 0 H SER A 45 -4.085 -7.473 -12.497 1.00 0.00 H new ATOM 0 HA SER A 45 -4.040 -10.153 -13.736 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.886 -8.553 -15.525 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.823 -7.504 -14.607 1.00 0.00 H new ATOM 0 HG SER A 45 -1.655 -9.923 -14.742 1.00 0.00 H new ATOM 673 N LYS A 46 -2.224 -8.974 -11.445 1.00 0.00 N ATOM 674 CA LYS A 46 -1.101 -9.242 -10.552 1.00 0.00 C ATOM 675 C LYS A 46 -1.420 -8.840 -9.116 1.00 0.00 C ATOM 676 O LYS A 46 -2.388 -8.123 -8.860 1.00 0.00 O ATOM 677 CB LYS A 46 0.149 -8.502 -11.032 1.00 0.00 C ATOM 678 CG LYS A 46 1.448 -9.229 -10.714 1.00 0.00 C ATOM 679 CD LYS A 46 2.491 -8.291 -10.119 1.00 0.00 C ATOM 680 CE LYS A 46 3.657 -8.072 -11.071 1.00 0.00 C ATOM 681 NZ LYS A 46 4.964 -8.383 -10.430 1.00 0.00 N ATOM 0 H LYS A 46 -2.910 -8.314 -11.080 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.915 -10.316 -10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.081 -8.352 -12.109 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.174 -7.513 -10.574 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.248 -10.041 -10.015 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.843 -9.682 -11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.027 -7.333 -9.884 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.860 -8.705 -9.181 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.527 -8.698 -11.954 1.00 0.00 H new ATOM 0 HE3 LYS A 46 3.657 -7.037 -11.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.683 -8.536 -11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.252 -7.588 -9.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.871 -9.242 -9.852 1.00 0.00 H new ATOM 695 N THR A 47 -0.597 -9.308 -8.182 1.00 0.00 N ATOM 696 CA THR A 47 -0.783 -9.004 -6.774 1.00 0.00 C ATOM 697 C THR A 47 0.551 -8.696 -6.090 1.00 0.00 C ATOM 698 O THR A 47 1.417 -9.564 -5.987 1.00 0.00 O ATOM 699 CB THR A 47 -1.470 -10.172 -6.066 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.726 -10.449 -6.656 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.702 -9.928 -4.589 1.00 0.00 C ATOM 0 H THR A 47 0.208 -9.902 -8.380 1.00 0.00 H new ATOM 0 HA THR A 47 -1.414 -8.118 -6.706 1.00 0.00 H new ATOM 0 HB THR A 47 -0.787 -11.014 -6.176 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.439 -10.271 -6.007 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.193 -10.796 -4.149 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.746 -9.762 -4.093 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.335 -9.050 -4.460 1.00 0.00 H new ATOM 709 N PRO A 48 0.731 -7.454 -5.602 1.00 0.00 N ATOM 710 CA PRO A 48 1.961 -7.048 -4.917 1.00 0.00 C ATOM 711 C PRO A 48 2.067 -7.663 -3.525 1.00 0.00 C ATOM 712 O PRO A 48 1.058 -7.880 -2.854 1.00 0.00 O ATOM 713 CB PRO A 48 1.828 -5.528 -4.824 1.00 0.00 C ATOM 714 CG PRO A 48 0.361 -5.277 -4.823 1.00 0.00 C ATOM 715 CD PRO A 48 -0.252 -6.358 -5.670 1.00 0.00 C ATOM 0 HA PRO A 48 2.856 -7.376 -5.445 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.296 -5.144 -3.918 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.314 -5.036 -5.667 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -0.038 -5.304 -3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 48 0.135 -4.291 -5.228 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -1.223 -6.667 -5.284 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -0.408 -6.023 -6.695 1.00 0.00 H new ATOM 723 N ASP A 49 3.293 -7.949 -3.098 1.00 0.00 N ATOM 724 CA ASP A 49 3.524 -8.548 -1.786 1.00 0.00 C ATOM 725 C ASP A 49 3.414 -7.508 -0.673 1.00 0.00 C ATOM 726 O ASP A 49 3.205 -7.852 0.490 1.00 0.00 O ATOM 727 CB ASP A 49 4.897 -9.221 -1.740 1.00 0.00 C ATOM 728 CG ASP A 49 5.036 -10.324 -2.772 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.004 -10.015 -3.981 1.00 0.00 O ATOM 730 OD2 ASP A 49 5.175 -11.499 -2.369 1.00 0.00 O ATOM 0 H ASP A 49 4.140 -7.777 -3.639 1.00 0.00 H new ATOM 0 HA ASP A 49 2.752 -9.301 -1.625 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.671 -8.472 -1.906 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.062 -9.635 -0.745 1.00 0.00 H new ATOM 735 N VAL A 50 3.553 -6.239 -1.034 1.00 0.00 N ATOM 736 CA VAL A 50 3.463 -5.154 -0.067 1.00 0.00 C ATOM 737 C VAL A 50 2.894 -3.905 -0.730 1.00 0.00 C ATOM 738 O VAL A 50 3.618 -3.141 -1.368 1.00 0.00 O ATOM 739 CB VAL A 50 4.840 -4.845 0.554 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.886 -4.636 -0.528 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.764 -3.637 1.474 1.00 0.00 C ATOM 0 H VAL A 50 3.729 -5.936 -1.992 1.00 0.00 H new ATOM 0 HA VAL A 50 2.794 -5.470 0.734 1.00 0.00 H new ATOM 0 HB VAL A 50 5.139 -5.705 1.153 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.849 -4.419 -0.066 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.969 -5.539 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.592 -3.800 -1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.748 -3.441 1.899 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.434 -2.767 0.906 1.00 0.00 H new ATOM 0 HG23 VAL A 50 4.055 -3.836 2.278 1.00 0.00 H new ATOM 751 N LEU A 51 1.584 -3.724 -0.600 1.00 0.00 N ATOM 752 CA LEU A 51 0.902 -2.590 -1.205 1.00 0.00 C ATOM 753 C LEU A 51 0.921 -1.357 -0.307 1.00 0.00 C ATOM 754 O LEU A 51 0.959 -1.459 0.919 1.00 0.00 O ATOM 755 CB LEU A 51 -0.542 -2.974 -1.541 1.00 0.00 C ATOM 756 CG LEU A 51 -1.241 -2.079 -2.570 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.379 -1.922 -3.812 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.600 -2.655 -2.938 1.00 0.00 C ATOM 0 H LEU A 51 0.973 -4.352 -0.078 1.00 0.00 H new ATOM 0 HA LEU A 51 1.439 -2.332 -2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.550 -3.999 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.126 -2.964 -0.621 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.390 -1.095 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.891 -1.283 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.574 -1.469 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.201 -2.901 -4.257 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.084 -2.008 -3.670 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.470 -3.650 -3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.221 -2.721 -2.045 1.00 0.00 H new ATOM 770 N LEU A 52 0.875 -0.194 -0.945 1.00 0.00 N ATOM 771 CA LEU A 52 0.864 1.087 -0.248 1.00 0.00 C ATOM 772 C LEU A 52 -0.187 1.991 -0.903 1.00 0.00 C ATOM 773 O LEU A 52 -0.073 2.301 -2.083 1.00 0.00 O ATOM 774 CB LEU A 52 2.250 1.740 -0.324 1.00 0.00 C ATOM 775 CG LEU A 52 3.338 1.138 0.576 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.729 1.390 -0.009 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.251 1.718 1.975 1.00 0.00 C ATOM 0 H LEU A 52 0.844 -0.112 -1.961 1.00 0.00 H new ATOM 0 HA LEU A 52 0.616 0.936 0.803 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.595 1.690 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.145 2.796 -0.073 1.00 0.00 H new ATOM 0 HG LEU A 52 3.174 0.062 0.629 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.484 0.954 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.797 0.932 -0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.899 2.463 -0.095 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.030 1.280 2.600 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.387 2.799 1.930 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.274 1.493 2.402 1.00 0.00 H new ATOM 789 N SER A 53 -1.232 2.366 -0.160 1.00 0.00 N ATOM 790 CA SER A 53 -2.319 3.183 -0.724 1.00 0.00 C ATOM 791 C SER A 53 -2.295 4.648 -0.264 1.00 0.00 C ATOM 792 O SER A 53 -2.000 4.945 0.892 1.00 0.00 O ATOM 793 CB SER A 53 -3.661 2.545 -0.366 1.00 0.00 C ATOM 794 OG SER A 53 -4.226 1.880 -1.481 1.00 0.00 O ATOM 0 H SER A 53 -1.352 2.122 0.823 1.00 0.00 H new ATOM 0 HA SER A 53 -2.173 3.205 -1.804 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.523 1.837 0.451 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.348 3.313 -0.011 1.00 0.00 H new ATOM 0 HG SER A 53 -4.053 0.918 -1.410 1.00 0.00 H new ATOM 800 N ASP A 54 -2.610 5.552 -1.206 1.00 0.00 N ATOM 801 CA ASP A 54 -2.636 7.000 -0.955 1.00 0.00 C ATOM 802 C ASP A 54 -3.797 7.428 -0.071 1.00 0.00 C ATOM 803 O ASP A 54 -3.704 8.434 0.629 1.00 0.00 O ATOM 804 CB ASP A 54 -2.728 7.768 -2.272 1.00 0.00 C ATOM 805 CG ASP A 54 -2.567 9.267 -2.083 1.00 0.00 C ATOM 806 OD1 ASP A 54 -3.391 9.867 -1.362 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.621 9.843 -2.657 1.00 0.00 O ATOM 0 H ASP A 54 -2.854 5.298 -2.163 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.707 7.232 -0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.959 7.406 -2.954 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.691 7.565 -2.741 1.00 0.00 H new ATOM 812 N ILE A 55 -4.893 6.677 -0.117 1.00 0.00 N ATOM 813 CA ILE A 55 -6.082 6.992 0.684 1.00 0.00 C ATOM 814 C ILE A 55 -6.437 8.484 0.600 1.00 0.00 C ATOM 815 O ILE A 55 -6.069 9.265 1.477 1.00 0.00 O ATOM 816 CB ILE A 55 -5.869 6.578 2.167 1.00 0.00 C ATOM 817 CG1 ILE A 55 -7.005 7.085 3.068 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.528 7.081 2.675 1.00 0.00 C ATOM 819 CD1 ILE A 55 -6.777 6.836 4.544 1.00 0.00 C ATOM 0 H ILE A 55 -4.987 5.845 -0.699 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.915 6.422 0.273 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.876 5.489 2.206 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -7.133 8.155 2.906 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.936 6.603 2.768 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.397 6.781 3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.727 6.655 2.071 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.497 8.168 2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.623 7.222 5.113 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -6.679 5.765 4.721 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.865 7.341 4.862 1.00 0.00 H new ATOM 831 N ARG A 56 -7.155 8.881 -0.458 1.00 0.00 N ATOM 832 CA ARG A 56 -7.541 10.284 -0.622 1.00 0.00 C ATOM 833 C ARG A 56 -8.555 10.489 -1.755 1.00 0.00 C ATOM 834 O ARG A 56 -8.184 10.628 -2.922 1.00 0.00 O ATOM 835 CB ARG A 56 -6.306 11.146 -0.881 1.00 0.00 C ATOM 836 CG ARG A 56 -6.578 12.642 -0.802 1.00 0.00 C ATOM 837 CD ARG A 56 -6.238 13.349 -2.107 1.00 0.00 C ATOM 838 NE ARG A 56 -7.424 13.912 -2.749 1.00 0.00 N ATOM 839 CZ ARG A 56 -7.842 15.167 -2.580 1.00 0.00 C ATOM 840 NH1 ARG A 56 -7.175 16.000 -1.790 1.00 0.00 N ATOM 841 NH2 ARG A 56 -8.932 15.589 -3.206 1.00 0.00 N ATOM 0 H ARG A 56 -7.475 8.260 -1.201 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.021 10.588 0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.534 10.887 -0.156 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.909 10.909 -1.868 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.628 12.808 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.993 13.075 0.009 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -5.519 14.145 -1.912 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.758 12.645 -2.786 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.966 13.307 -3.365 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.335 15.682 -1.306 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -7.502 16.958 -1.667 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.448 14.954 -3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.254 16.548 -3.079 1.00 0.00 H new ATOM 855 N MET A 57 -9.835 10.542 -1.386 1.00 0.00 N ATOM 856 CA MET A 57 -10.925 10.768 -2.340 1.00 0.00 C ATOM 857 C MET A 57 -10.982 9.723 -3.461 1.00 0.00 C ATOM 858 O MET A 57 -11.145 10.072 -4.630 1.00 0.00 O ATOM 859 CB MET A 57 -10.805 12.168 -2.946 1.00 0.00 C ATOM 860 CG MET A 57 -12.148 12.829 -3.211 1.00 0.00 C ATOM 861 SD MET A 57 -12.047 14.628 -3.232 1.00 0.00 S ATOM 862 CE MET A 57 -13.298 15.053 -2.023 1.00 0.00 C ATOM 0 H MET A 57 -10.146 10.430 -0.421 1.00 0.00 H new ATOM 0 HA MET A 57 -11.853 10.674 -1.777 1.00 0.00 H new ATOM 0 HB2 MET A 57 -10.225 12.799 -2.272 1.00 0.00 H new ATOM 0 HB3 MET A 57 -10.249 12.104 -3.881 1.00 0.00 H new ATOM 0 HG2 MET A 57 -12.537 12.480 -4.167 1.00 0.00 H new ATOM 0 HG3 MET A 57 -12.859 12.518 -2.445 1.00 0.00 H new ATOM 0 HE1 MET A 57 -13.355 16.137 -1.924 1.00 0.00 H new ATOM 0 HE2 MET A 57 -14.264 14.667 -2.348 1.00 0.00 H new ATOM 0 HE3 MET A 57 -13.038 14.614 -1.060 1.00 0.00 H new ATOM 872 N PRO A 58 -10.876 8.427 -3.125 1.00 0.00 N ATOM 873 CA PRO A 58 -10.942 7.346 -4.101 1.00 0.00 C ATOM 874 C PRO A 58 -12.374 6.846 -4.304 1.00 0.00 C ATOM 875 O PRO A 58 -12.889 6.818 -5.420 1.00 0.00 O ATOM 876 CB PRO A 58 -10.088 6.267 -3.446 1.00 0.00 C ATOM 877 CG PRO A 58 -10.271 6.469 -1.973 1.00 0.00 C ATOM 878 CD PRO A 58 -10.696 7.905 -1.765 1.00 0.00 C ATOM 0 HA PRO A 58 -10.603 7.647 -5.092 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -10.409 5.271 -3.751 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -9.041 6.366 -3.731 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.024 5.785 -1.582 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.344 6.261 -1.439 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.619 7.968 -1.189 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.940 8.469 -1.219 1.00 0.00 H new ATOM 886 N GLY A 59 -13.003 6.462 -3.199 1.00 0.00 N ATOM 887 CA GLY A 59 -14.368 5.973 -3.218 1.00 0.00 C ATOM 888 C GLY A 59 -15.058 6.201 -1.883 1.00 0.00 C ATOM 889 O GLY A 59 -16.285 6.186 -1.796 1.00 0.00 O ATOM 0 H GLY A 59 -12.580 6.482 -2.271 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -14.925 6.476 -4.008 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -14.372 4.909 -3.454 1.00 0.00 H new ATOM 893 N MET A 60 -14.255 6.425 -0.843 1.00 0.00 N ATOM 894 CA MET A 60 -14.760 6.674 0.496 1.00 0.00 C ATOM 895 C MET A 60 -13.699 7.393 1.323 1.00 0.00 C ATOM 896 O MET A 60 -13.084 6.808 2.226 1.00 0.00 O ATOM 897 CB MET A 60 -15.170 5.370 1.184 1.00 0.00 C ATOM 898 CG MET A 60 -16.084 5.577 2.383 1.00 0.00 C ATOM 899 SD MET A 60 -17.783 5.947 1.908 1.00 0.00 S ATOM 900 CE MET A 60 -18.566 6.074 3.514 1.00 0.00 C ATOM 0 H MET A 60 -13.237 6.438 -0.911 1.00 0.00 H new ATOM 0 HA MET A 60 -15.645 7.305 0.416 1.00 0.00 H new ATOM 0 HB2 MET A 60 -15.673 4.729 0.460 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.273 4.842 1.508 1.00 0.00 H new ATOM 0 HG2 MET A 60 -16.072 4.681 3.003 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.696 6.392 2.994 1.00 0.00 H new ATOM 0 HE1 MET A 60 -19.624 6.301 3.386 1.00 0.00 H new ATOM 0 HE2 MET A 60 -18.459 5.129 4.047 1.00 0.00 H new ATOM 0 HE3 MET A 60 -18.092 6.870 4.088 1.00 0.00 H new ATOM 910 N ASP A 61 -13.486 8.663 0.984 1.00 0.00 N ATOM 911 CA ASP A 61 -12.512 9.523 1.659 1.00 0.00 C ATOM 912 C ASP A 61 -11.069 9.077 1.434 1.00 0.00 C ATOM 913 O ASP A 61 -10.156 9.904 1.423 1.00 0.00 O ATOM 914 CB ASP A 61 -12.803 9.583 3.161 1.00 0.00 C ATOM 915 CG ASP A 61 -13.002 11.004 3.650 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.327 11.914 3.123 1.00 0.00 O ATOM 917 OD2 ASP A 61 -13.833 11.209 4.560 1.00 0.00 O ATOM 0 H ASP A 61 -13.987 9.129 0.228 1.00 0.00 H new ATOM 0 HA ASP A 61 -12.618 10.515 1.219 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -13.696 8.997 3.380 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -11.979 9.125 3.708 1.00 0.00 H new ATOM 922 N GLY A 62 -10.858 7.778 1.276 1.00 0.00 N ATOM 923 CA GLY A 62 -9.522 7.271 1.080 1.00 0.00 C ATOM 924 C GLY A 62 -9.400 5.832 1.511 1.00 0.00 C ATOM 925 O GLY A 62 -8.639 5.061 0.928 1.00 0.00 O ATOM 0 H GLY A 62 -11.591 7.069 1.281 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -9.250 7.360 0.028 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -8.816 7.880 1.644 1.00 0.00 H new ATOM 929 N LEU A 63 -10.141 5.475 2.550 1.00 0.00 N ATOM 930 CA LEU A 63 -10.097 4.123 3.070 1.00 0.00 C ATOM 931 C LEU A 63 -10.796 3.158 2.129 1.00 0.00 C ATOM 932 O LEU A 63 -10.470 1.971 2.094 1.00 0.00 O ATOM 933 CB LEU A 63 -10.707 4.059 4.464 1.00 0.00 C ATOM 934 CG LEU A 63 -9.881 4.753 5.543 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.305 6.206 5.680 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.001 4.015 6.867 1.00 0.00 C ATOM 0 H LEU A 63 -10.776 6.102 3.045 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.052 3.824 3.144 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.699 4.511 4.435 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.841 3.014 4.742 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.832 4.734 5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.707 6.688 6.453 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.154 6.720 4.731 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.359 6.253 5.954 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.405 4.525 7.623 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.045 3.996 7.180 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.639 2.994 6.748 1.00 0.00 H new ATOM 948 N ALA A 64 -11.743 3.670 1.343 1.00 0.00 N ATOM 949 CA ALA A 64 -12.448 2.827 0.382 1.00 0.00 C ATOM 950 C ALA A 64 -11.441 2.108 -0.507 1.00 0.00 C ATOM 951 O ALA A 64 -11.676 0.989 -0.964 1.00 0.00 O ATOM 952 CB ALA A 64 -13.405 3.653 -0.456 1.00 0.00 C ATOM 0 H ALA A 64 -12.035 4.647 1.352 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.033 2.086 0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.920 3.005 -1.165 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.137 4.133 0.194 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.847 4.416 -1.000 1.00 0.00 H new ATOM 958 N LEU A 65 -10.303 2.763 -0.724 1.00 0.00 N ATOM 959 CA LEU A 65 -9.226 2.205 -1.530 1.00 0.00 C ATOM 960 C LEU A 65 -8.943 0.772 -1.098 1.00 0.00 C ATOM 961 O LEU A 65 -8.943 -0.153 -1.910 1.00 0.00 O ATOM 962 CB LEU A 65 -7.973 3.058 -1.354 1.00 0.00 C ATOM 963 CG LEU A 65 -7.140 3.275 -2.612 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.003 4.240 -2.314 1.00 0.00 C ATOM 965 CD2 LEU A 65 -6.604 1.949 -3.134 1.00 0.00 C ATOM 0 H LEU A 65 -10.104 3.690 -0.348 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.521 2.203 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.270 4.032 -0.965 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.341 2.592 -0.598 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.772 3.708 -3.387 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -5.410 4.393 -3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.413 5.194 -1.983 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -5.370 3.826 -1.529 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.012 2.124 -4.032 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.978 1.484 -2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.437 1.288 -3.372 1.00 0.00 H new ATOM 977 N LEU A 66 -8.720 0.605 0.198 1.00 0.00 N ATOM 978 CA LEU A 66 -8.453 -0.703 0.775 1.00 0.00 C ATOM 979 C LEU A 66 -9.612 -1.654 0.487 1.00 0.00 C ATOM 980 O LEU A 66 -9.417 -2.749 -0.042 1.00 0.00 O ATOM 981 CB LEU A 66 -8.250 -0.560 2.282 1.00 0.00 C ATOM 982 CG LEU A 66 -7.237 -1.515 2.912 1.00 0.00 C ATOM 983 CD1 LEU A 66 -7.698 -2.957 2.781 1.00 0.00 C ATOM 984 CD2 LEU A 66 -5.859 -1.334 2.292 1.00 0.00 C ATOM 0 H LEU A 66 -8.719 1.368 0.875 1.00 0.00 H new ATOM 0 HA LEU A 66 -7.549 -1.116 0.327 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -7.936 0.462 2.491 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.212 -0.705 2.774 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.166 -1.275 3.973 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -6.960 -3.618 3.237 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.656 -3.080 3.286 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.808 -3.209 1.726 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.157 -2.025 2.758 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -5.912 -1.537 1.222 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.520 -0.310 2.451 1.00 0.00 H new ATOM 996 N LYS A 67 -10.821 -1.216 0.838 1.00 0.00 N ATOM 997 CA LYS A 67 -12.032 -2.009 0.622 1.00 0.00 C ATOM 998 C LYS A 67 -12.031 -2.661 -0.756 1.00 0.00 C ATOM 999 O LYS A 67 -12.481 -3.793 -0.925 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.265 -1.124 0.748 1.00 0.00 C ATOM 1001 CG LYS A 67 -14.568 -1.906 0.802 1.00 0.00 C ATOM 1002 CD LYS A 67 -14.939 -2.286 2.229 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.303 -1.738 2.624 1.00 0.00 C ATOM 1004 NZ LYS A 67 -16.227 -0.916 3.863 1.00 0.00 N ATOM 0 H LYS A 67 -10.989 -0.310 1.276 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.053 -2.792 1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.177 -0.517 1.649 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.297 -0.437 -0.097 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.369 -1.310 0.365 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -14.476 -2.808 0.197 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.941 -3.372 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -14.182 -1.906 2.915 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.702 -1.133 1.810 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -16.997 -2.564 2.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -17.174 -0.559 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.869 -1.500 4.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.584 -0.113 3.708 1.00 0.00 H new ATOM 1018 N GLN A 68 -11.539 -1.926 -1.738 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.484 -2.416 -3.107 1.00 0.00 C ATOM 1020 C GLN A 68 -10.423 -3.506 -3.261 1.00 0.00 C ATOM 1021 O GLN A 68 -10.616 -4.471 -4.002 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.174 -1.264 -4.063 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.260 -0.201 -4.133 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.603 -0.772 -4.539 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.450 -1.057 -3.693 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -13.803 -0.943 -5.840 1.00 0.00 N ATOM 0 H GLN A 68 -11.170 -0.983 -1.613 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.457 -2.843 -3.350 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.240 -0.793 -3.756 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.013 -1.669 -5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.353 0.283 -3.161 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.965 0.569 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.072 -0.692 -6.506 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.688 -1.325 -6.174 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.296 -3.336 -2.573 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.198 -4.296 -2.647 1.00 0.00 C ATOM 1037 C ILE A 69 -8.593 -5.657 -2.090 1.00 0.00 C ATOM 1038 O ILE A 69 -8.168 -6.694 -2.598 1.00 0.00 O ATOM 1039 CB ILE A 69 -6.946 -3.789 -1.902 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.574 -2.384 -2.381 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -5.779 -4.748 -2.103 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -5.802 -1.582 -1.356 1.00 0.00 C ATOM 0 H ILE A 69 -9.120 -2.542 -1.958 1.00 0.00 H new ATOM 0 HA ILE A 69 -7.963 -4.405 -3.706 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.173 -3.743 -0.837 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -5.979 -2.464 -3.291 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.485 -1.845 -2.642 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.905 -4.374 -1.570 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.046 -5.732 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.551 -4.825 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.572 -0.597 -1.763 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -6.403 -1.470 -0.453 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.874 -2.100 -1.112 1.00 0.00 H new ATOM 1054 N LYS A 70 -9.402 -5.647 -1.045 1.00 0.00 N ATOM 1055 CA LYS A 70 -9.852 -6.881 -0.418 1.00 0.00 C ATOM 1056 C LYS A 70 -10.883 -7.588 -1.285 1.00 0.00 C ATOM 1057 O LYS A 70 -10.994 -8.813 -1.261 1.00 0.00 O ATOM 1058 CB LYS A 70 -10.446 -6.591 0.958 1.00 0.00 C ATOM 1059 CG LYS A 70 -11.701 -5.741 0.902 1.00 0.00 C ATOM 1060 CD LYS A 70 -12.958 -6.594 0.840 1.00 0.00 C ATOM 1061 CE LYS A 70 -13.611 -6.722 2.206 1.00 0.00 C ATOM 1062 NZ LYS A 70 -15.069 -6.425 2.153 1.00 0.00 N ATOM 0 H LYS A 70 -9.762 -4.797 -0.611 1.00 0.00 H new ATOM 0 HA LYS A 70 -8.987 -7.535 -0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -10.676 -7.534 1.453 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.699 -6.084 1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -11.742 -5.096 1.780 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -11.660 -5.090 0.029 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -13.665 -6.152 0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -12.708 -7.585 0.460 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -13.460 -7.732 2.588 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -13.127 -6.041 2.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -15.478 -6.523 3.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -15.213 -5.453 1.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -15.536 -7.091 1.505 1.00 0.00 H new ATOM 1076 N GLN A 71 -11.638 -6.805 -2.046 1.00 0.00 N ATOM 1077 CA GLN A 71 -12.667 -7.355 -2.920 1.00 0.00 C ATOM 1078 C GLN A 71 -12.051 -8.257 -3.981 1.00 0.00 C ATOM 1079 O GLN A 71 -12.579 -9.325 -4.288 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.478 -6.233 -3.575 1.00 0.00 C ATOM 1081 CG GLN A 71 -14.828 -6.003 -2.916 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.298 -4.566 -3.032 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -16.357 -4.291 -3.594 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -14.512 -3.641 -2.495 1.00 0.00 N ATOM 0 H GLN A 71 -11.557 -5.789 -2.076 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.342 -7.956 -2.310 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.902 -5.309 -3.538 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -13.631 -6.472 -4.627 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.567 -6.661 -3.373 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.765 -6.277 -1.863 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -13.642 -3.914 -2.038 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -14.778 -2.657 -2.539 1.00 0.00 H new ATOM 1093 N ARG A 72 -10.928 -7.819 -4.524 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.221 -8.585 -5.547 1.00 0.00 C ATOM 1095 C ARG A 72 -9.090 -9.397 -4.929 1.00 0.00 C ATOM 1096 O ARG A 72 -8.651 -10.400 -5.491 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.669 -7.654 -6.629 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.751 -6.949 -7.430 1.00 0.00 C ATOM 1099 CD ARG A 72 -10.161 -6.099 -8.544 1.00 0.00 C ATOM 1100 NE ARG A 72 -10.736 -4.756 -8.560 1.00 0.00 N ATOM 1101 CZ ARG A 72 -10.971 -4.053 -9.667 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -10.670 -4.552 -10.860 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -11.509 -2.844 -9.580 1.00 0.00 N ATOM 0 H ARG A 72 -10.482 -6.936 -4.276 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.931 -9.273 -6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.028 -6.906 -6.162 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.042 -8.231 -7.309 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.429 -7.689 -7.856 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.343 -6.319 -6.766 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.081 -6.031 -8.417 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.339 -6.583 -9.504 1.00 0.00 H new ATOM 0 HE ARG A 72 -10.973 -4.329 -7.665 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -10.255 -5.481 -10.934 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -10.854 -4.006 -11.702 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.742 -2.454 -8.667 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -11.690 -2.304 -10.426 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.623 -8.956 -3.768 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.545 -9.639 -3.068 1.00 0.00 C ATOM 1119 C HIS A 73 -7.725 -9.531 -1.556 1.00 0.00 C ATOM 1120 O HIS A 73 -7.167 -8.640 -0.915 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.199 -9.054 -3.488 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.063 -8.918 -4.969 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -5.687 -9.958 -5.790 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.277 -7.858 -5.781 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -5.674 -9.544 -7.043 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -6.030 -8.273 -7.069 1.00 0.00 N ATOM 0 H HIS A 73 -8.976 -8.126 -3.291 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.572 -10.695 -3.336 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.073 -8.075 -3.025 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.398 -9.690 -3.111 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -5.455 -10.901 -5.478 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -6.585 -6.869 -5.475 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.416 -10.144 -7.903 1.00 0.00 H new ATOM 1135 N PRO A 74 -8.518 -10.445 -0.967 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.783 -10.460 0.475 1.00 0.00 C ATOM 1137 C PRO A 74 -7.607 -10.997 1.294 1.00 0.00 C ATOM 1138 O PRO A 74 -7.756 -11.298 2.478 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.985 -11.395 0.598 1.00 0.00 C ATOM 1140 CG PRO A 74 -9.856 -12.328 -0.556 1.00 0.00 C ATOM 1141 CD PRO A 74 -9.225 -11.534 -1.668 1.00 0.00 C ATOM 0 HA PRO A 74 -8.954 -9.456 0.863 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.973 -11.933 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.923 -10.842 0.557 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.240 -13.189 -0.294 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -10.831 -12.713 -0.857 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.538 -12.144 -2.255 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.975 -11.145 -2.357 1.00 0.00 H new ATOM 1149 N MET A 75 -6.440 -11.118 0.663 1.00 0.00 N ATOM 1150 CA MET A 75 -5.248 -11.616 1.342 1.00 0.00 C ATOM 1151 C MET A 75 -4.027 -10.746 1.026 1.00 0.00 C ATOM 1152 O MET A 75 -2.928 -11.007 1.515 1.00 0.00 O ATOM 1153 CB MET A 75 -4.980 -13.064 0.934 1.00 0.00 C ATOM 1154 CG MET A 75 -6.162 -13.989 1.181 1.00 0.00 C ATOM 1155 SD MET A 75 -5.687 -15.501 2.047 1.00 0.00 S ATOM 1156 CE MET A 75 -7.290 -16.165 2.498 1.00 0.00 C ATOM 0 H MET A 75 -6.296 -10.878 -0.318 1.00 0.00 H new ATOM 0 HA MET A 75 -5.426 -11.572 2.416 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.720 -13.093 -0.124 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.116 -13.435 1.485 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.916 -13.461 1.765 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.621 -14.249 0.227 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.157 -17.101 3.040 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.815 -15.450 3.132 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.875 -16.348 1.596 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.229 -9.718 0.203 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.159 -8.809 -0.185 1.00 0.00 C ATOM 1168 C LEU A 76 -2.829 -7.822 0.935 1.00 0.00 C ATOM 1169 O LEU A 76 -3.643 -6.959 1.263 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.561 -8.038 -1.444 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.411 -7.467 -2.273 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.966 -6.631 -3.412 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.485 -6.630 -1.405 1.00 0.00 C ATOM 0 H LEU A 76 -5.135 -9.495 -0.210 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.270 -9.407 -0.385 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.148 -8.700 -2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.214 -7.216 -1.150 1.00 0.00 H new ATOM 0 HG LEU A 76 -1.833 -8.294 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.143 -6.226 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.595 -7.254 -4.048 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.560 -5.812 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.674 -6.234 -2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -2.045 -5.805 -0.966 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -1.071 -7.251 -0.611 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.626 -7.918 1.528 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.202 -7.006 2.598 1.00 0.00 C ATOM 1187 C PRO A 77 -1.003 -5.582 2.084 1.00 0.00 C ATOM 1188 O PRO A 77 -0.152 -5.335 1.230 1.00 0.00 O ATOM 1189 CB PRO A 77 0.127 -7.598 3.066 1.00 0.00 C ATOM 1190 CG PRO A 77 0.633 -8.367 1.895 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.582 -8.905 1.196 1.00 0.00 C ATOM 0 HA PRO A 77 -1.945 -6.927 3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.828 -6.816 3.358 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -0.011 -8.243 3.934 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.214 -7.728 1.230 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.290 -9.176 2.214 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.427 -8.981 0.120 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.843 -9.902 1.551 1.00 0.00 H new ATOM 1199 N VAL A 78 -1.805 -4.652 2.592 1.00 0.00 N ATOM 1200 CA VAL A 78 -1.732 -3.258 2.164 1.00 0.00 C ATOM 1201 C VAL A 78 -1.298 -2.326 3.293 1.00 0.00 C ATOM 1202 O VAL A 78 -1.560 -2.576 4.474 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.094 -2.766 1.633 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -2.925 -1.506 0.799 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -3.797 -3.853 0.828 1.00 0.00 C ATOM 0 H VAL A 78 -2.514 -4.838 3.301 1.00 0.00 H new ATOM 0 HA VAL A 78 -0.985 -3.229 1.371 1.00 0.00 H new ATOM 0 HB VAL A 78 -3.720 -2.527 2.493 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -3.898 -1.177 0.435 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -2.483 -0.721 1.412 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -2.273 -1.716 -0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -4.754 -3.477 0.467 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.175 -4.137 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -3.965 -4.724 1.462 1.00 0.00 H new ATOM 1215 N ILE A 79 -0.650 -1.233 2.907 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.194 -0.228 3.855 1.00 0.00 C ATOM 1217 C ILE A 79 -0.655 1.148 3.404 1.00 0.00 C ATOM 1218 O ILE A 79 -0.284 1.616 2.331 1.00 0.00 O ATOM 1219 CB ILE A 79 1.337 -0.204 3.986 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.911 -1.620 3.977 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.750 0.535 5.248 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.871 -1.858 2.836 1.00 0.00 C ATOM 0 H ILE A 79 -0.428 -1.021 1.934 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.620 -0.487 4.824 1.00 0.00 H new ATOM 0 HB ILE A 79 1.743 0.327 3.125 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.424 -1.805 4.921 1.00 0.00 H new ATOM 0 HG13 ILE A 79 1.093 -2.338 3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.837 0.543 5.326 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.382 1.560 5.206 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.328 0.033 6.118 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.245 -2.881 2.883 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.355 -1.703 1.888 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.706 -1.162 2.912 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.479 1.787 4.208 1.00 0.00 N ATOM 1235 CA ILE A 80 -1.996 3.097 3.854 1.00 0.00 C ATOM 1236 C ILE A 80 -1.137 4.217 4.438 1.00 0.00 C ATOM 1237 O ILE A 80 -0.757 4.176 5.606 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.452 3.246 4.323 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.211 1.930 4.120 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.134 4.374 3.577 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.443 1.582 2.668 1.00 0.00 C ATOM 0 H ILE A 80 -1.805 1.426 5.105 1.00 0.00 H new ATOM 0 HA ILE A 80 -1.962 3.181 2.768 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.454 3.487 5.386 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -3.653 1.122 4.594 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.173 1.994 4.628 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.164 4.467 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.603 5.307 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.126 4.161 2.508 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -4.985 0.639 2.602 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.027 2.370 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.484 1.485 2.159 1.00 0.00 H new ATOM 1253 N MET A 81 -0.813 5.201 3.599 1.00 0.00 N ATOM 1254 CA MET A 81 0.034 6.325 4.013 1.00 0.00 C ATOM 1255 C MET A 81 -0.741 7.413 4.758 1.00 0.00 C ATOM 1256 O MET A 81 -0.151 8.398 5.198 1.00 0.00 O ATOM 1257 CB MET A 81 0.750 6.940 2.806 1.00 0.00 C ATOM 1258 CG MET A 81 -0.106 7.059 1.556 1.00 0.00 C ATOM 1259 SD MET A 81 0.575 6.135 0.163 1.00 0.00 S ATOM 1260 CE MET A 81 2.154 6.959 -0.044 1.00 0.00 C ATOM 0 H MET A 81 -1.123 5.245 2.628 1.00 0.00 H new ATOM 0 HA MET A 81 0.767 5.913 4.706 1.00 0.00 H new ATOM 0 HB2 MET A 81 1.110 7.932 3.080 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.627 6.336 2.574 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.111 6.697 1.772 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.198 8.110 1.281 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.698 6.501 -0.871 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.988 8.015 -0.259 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.738 6.863 0.872 1.00 0.00 H new ATOM 1270 N THR A 82 -2.050 7.249 4.909 1.00 0.00 N ATOM 1271 CA THR A 82 -2.859 8.241 5.622 1.00 0.00 C ATOM 1272 C THR A 82 -4.026 7.552 6.337 1.00 0.00 C ATOM 1273 O THR A 82 -4.406 6.444 5.966 1.00 0.00 O ATOM 1274 CB THR A 82 -3.373 9.292 4.635 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.378 9.594 3.672 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.764 10.600 5.283 1.00 0.00 C ATOM 0 H THR A 82 -2.573 6.449 4.553 1.00 0.00 H new ATOM 0 HA THR A 82 -2.244 8.738 6.372 1.00 0.00 H new ATOM 0 HB THR A 82 -4.260 8.846 4.186 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.804 9.932 2.857 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.118 11.293 4.520 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.558 10.424 6.009 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.899 11.028 5.789 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.599 8.197 7.356 1.00 0.00 N ATOM 1285 CA ALA A 83 -5.728 7.604 8.082 1.00 0.00 C ATOM 1286 C ALA A 83 -6.482 8.646 8.909 1.00 0.00 C ATOM 1287 O ALA A 83 -6.617 8.510 10.125 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.260 6.464 8.975 1.00 0.00 C ATOM 0 H ALA A 83 -4.307 9.114 7.694 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.416 7.207 7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.115 6.041 9.503 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.792 5.692 8.364 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.538 6.842 9.699 1.00 0.00 H new ATOM 1294 N HIS A 84 -6.973 9.688 8.245 1.00 0.00 N ATOM 1295 CA HIS A 84 -7.710 10.747 8.930 1.00 0.00 C ATOM 1296 C HIS A 84 -9.221 10.564 8.792 1.00 0.00 C ATOM 1297 O HIS A 84 -9.991 11.129 9.568 1.00 0.00 O ATOM 1298 CB HIS A 84 -7.310 12.114 8.376 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.599 12.267 6.916 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.856 12.543 6.426 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -6.791 12.169 5.837 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -8.808 12.605 5.107 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -7.565 12.381 4.723 1.00 0.00 N ATOM 0 H HIS A 84 -6.875 9.822 7.239 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.455 10.690 9.988 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -7.839 12.891 8.928 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -6.245 12.270 8.547 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.731 11.962 5.849 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -9.644 12.805 4.454 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -7.234 12.368 3.758 1.00 0.00 H new ATOM 1312 N SER A 85 -9.644 9.798 7.791 1.00 0.00 N ATOM 1313 CA SER A 85 -11.069 9.579 7.553 1.00 0.00 C ATOM 1314 C SER A 85 -11.634 8.448 8.411 1.00 0.00 C ATOM 1315 O SER A 85 -10.988 7.973 9.345 1.00 0.00 O ATOM 1316 CB SER A 85 -11.322 9.284 6.074 1.00 0.00 C ATOM 1317 OG SER A 85 -10.158 9.511 5.297 1.00 0.00 O ATOM 0 H SER A 85 -9.026 9.321 7.135 1.00 0.00 H new ATOM 0 HA SER A 85 -11.584 10.496 7.837 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.644 8.249 5.957 1.00 0.00 H new ATOM 0 HB3 SER A 85 -12.134 9.913 5.709 1.00 0.00 H new ATOM 0 HG SER A 85 -10.343 10.198 4.623 1.00 0.00 H new ATOM 1323 N ASP A 86 -12.856 8.036 8.077 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.551 6.971 8.797 1.00 0.00 C ATOM 1325 C ASP A 86 -12.701 5.711 8.909 1.00 0.00 C ATOM 1326 O ASP A 86 -12.776 4.823 8.061 1.00 0.00 O ATOM 1327 CB ASP A 86 -14.870 6.638 8.095 1.00 0.00 C ATOM 1328 CG ASP A 86 -15.780 7.844 7.962 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.521 8.688 7.077 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -16.754 7.942 8.737 1.00 0.00 O ATOM 0 H ASP A 86 -13.390 8.430 7.302 1.00 0.00 H new ATOM 0 HA ASP A 86 -13.748 7.334 9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -14.659 6.236 7.104 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -15.387 5.857 8.652 1.00 0.00 H new ATOM 1335 N LEU A 87 -11.912 5.634 9.979 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.049 4.480 10.244 1.00 0.00 C ATOM 1337 C LEU A 87 -11.802 3.160 10.058 1.00 0.00 C ATOM 1338 O LEU A 87 -11.199 2.112 9.840 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.513 4.569 11.676 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.048 4.165 11.866 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.886 2.660 11.741 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.152 4.893 10.873 1.00 0.00 C ATOM 0 H LEU A 87 -11.851 6.367 10.686 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.225 4.499 9.531 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -10.636 5.594 12.027 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.130 3.937 12.315 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.742 4.456 12.871 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.838 2.394 11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.489 2.165 12.502 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.214 2.340 10.752 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.116 4.590 11.027 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.456 4.642 9.857 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.241 5.969 11.023 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.124 3.223 10.169 1.00 0.00 N ATOM 1355 CA ASP A 88 -13.978 2.043 10.037 1.00 0.00 C ATOM 1356 C ASP A 88 -13.634 1.204 8.802 1.00 0.00 C ATOM 1357 O ASP A 88 -13.559 -0.023 8.885 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.445 2.470 9.980 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.034 2.704 11.357 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -15.401 3.423 12.160 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -17.129 2.171 11.633 1.00 0.00 O ATOM 0 H ASP A 88 -13.634 4.087 10.352 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.802 1.417 10.912 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.532 3.383 9.391 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.024 1.703 9.466 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.433 1.858 7.659 1.00 0.00 N ATOM 1367 CA ALA A 89 -13.109 1.144 6.426 1.00 0.00 C ATOM 1368 C ALA A 89 -11.750 0.463 6.520 1.00 0.00 C ATOM 1369 O ALA A 89 -11.456 -0.468 5.769 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.150 2.085 5.232 1.00 0.00 C ATOM 0 H ALA A 89 -13.488 2.872 7.561 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.863 0.370 6.285 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.906 1.532 4.325 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.149 2.512 5.139 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.425 2.886 5.375 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.927 0.929 7.452 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.602 0.358 7.650 1.00 0.00 C ATOM 1378 C ALA A 90 -9.696 -0.975 8.373 1.00 0.00 C ATOM 1379 O ALA A 90 -8.845 -1.847 8.198 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.715 1.314 8.435 1.00 0.00 C ATOM 0 H ALA A 90 -11.154 1.699 8.081 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.156 0.194 6.669 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.730 0.867 8.571 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.616 2.251 7.887 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.163 1.509 9.409 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.734 -1.131 9.191 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.921 -2.365 9.937 1.00 0.00 C ATOM 1388 C VAL A 91 -11.041 -3.550 8.988 1.00 0.00 C ATOM 1389 O VAL A 91 -10.500 -4.625 9.251 1.00 0.00 O ATOM 1390 CB VAL A 91 -12.153 -2.322 10.859 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -12.105 -3.492 11.830 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -12.225 -1.001 11.617 1.00 0.00 C ATOM 0 H VAL A 91 -11.451 -0.423 9.351 1.00 0.00 H new ATOM 0 HA VAL A 91 -10.040 -2.481 10.568 1.00 0.00 H new ATOM 0 HB VAL A 91 -13.050 -2.401 10.245 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.978 -3.460 12.482 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -12.103 -4.428 11.272 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.199 -3.427 12.433 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -13.105 -0.998 12.260 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -11.329 -0.882 12.227 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -12.293 -0.177 10.907 1.00 0.00 H new ATOM 1402 N SER A 92 -11.729 -3.336 7.871 1.00 0.00 N ATOM 1403 CA SER A 92 -11.890 -4.378 6.867 1.00 0.00 C ATOM 1404 C SER A 92 -10.534 -4.716 6.257 1.00 0.00 C ATOM 1405 O SER A 92 -10.337 -5.799 5.707 1.00 0.00 O ATOM 1406 CB SER A 92 -12.871 -3.932 5.777 1.00 0.00 C ATOM 1407 OG SER A 92 -14.126 -3.581 6.335 1.00 0.00 O ATOM 0 H SER A 92 -12.182 -2.452 7.640 1.00 0.00 H new ATOM 0 HA SER A 92 -12.298 -5.268 7.345 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.458 -3.080 5.238 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.003 -4.735 5.051 1.00 0.00 H new ATOM 0 HG SER A 92 -14.734 -3.298 5.620 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.598 -3.776 6.370 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.254 -3.958 5.847 1.00 0.00 C ATOM 1415 C ALA A 93 -7.520 -5.049 6.609 1.00 0.00 C ATOM 1416 O ALA A 93 -6.916 -5.941 6.019 1.00 0.00 O ATOM 1417 CB ALA A 93 -7.486 -2.648 5.915 1.00 0.00 C ATOM 0 H ALA A 93 -9.752 -2.875 6.823 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.327 -4.268 4.804 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.480 -2.795 5.521 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.002 -1.893 5.322 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.425 -2.316 6.951 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.585 -4.975 7.924 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.936 -5.968 8.772 1.00 0.00 C ATOM 1425 C TYR A 94 -7.542 -7.344 8.524 1.00 0.00 C ATOM 1426 O TYR A 94 -6.908 -8.372 8.757 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.074 -5.592 10.249 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.918 -4.112 10.517 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.768 -3.434 10.133 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.922 -3.393 11.153 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.623 -2.079 10.374 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.785 -2.040 11.398 1.00 0.00 C ATOM 1433 CZ TYR A 94 -6.634 -1.387 11.006 1.00 0.00 C ATOM 1434 OH TYR A 94 -6.494 -0.037 11.245 1.00 0.00 O ATOM 0 H TYR A 94 -8.078 -4.241 8.432 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.876 -5.995 8.521 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.051 -5.916 10.607 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.326 -6.137 10.825 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.974 -3.973 9.638 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.825 -3.900 11.461 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.723 -1.566 10.069 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.575 -1.496 11.894 1.00 0.00 H new ATOM 0 HH TYR A 94 -7.296 0.300 11.697 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.778 -7.344 8.044 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.491 -8.577 7.750 1.00 0.00 C ATOM 1446 C GLN A 95 -8.948 -9.210 6.468 1.00 0.00 C ATOM 1447 O GLN A 95 -8.756 -10.424 6.404 1.00 0.00 O ATOM 1448 CB GLN A 95 -10.996 -8.287 7.650 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.792 -9.243 6.769 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.696 -8.501 5.807 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -13.878 -8.820 5.676 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -12.143 -7.502 5.129 1.00 0.00 N ATOM 0 H GLN A 95 -9.310 -6.496 7.849 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.336 -9.293 8.557 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.420 -8.308 8.654 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.129 -7.274 7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.105 -9.876 6.207 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.392 -9.902 7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.159 -7.273 5.270 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -12.702 -6.964 4.467 1.00 0.00 H new ATOM 1461 N GLN A 96 -8.692 -8.387 5.453 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.162 -8.891 4.194 1.00 0.00 C ATOM 1463 C GLN A 96 -6.666 -9.182 4.305 1.00 0.00 C ATOM 1464 O GLN A 96 -6.082 -9.803 3.419 1.00 0.00 O ATOM 1465 CB GLN A 96 -8.426 -7.906 3.049 1.00 0.00 C ATOM 1466 CG GLN A 96 -7.616 -6.619 3.134 1.00 0.00 C ATOM 1467 CD GLN A 96 -6.197 -6.779 2.621 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -5.386 -5.743 2.791 1.00 0.00 O flip ATOM 1469 NE2 GLN A 96 -5.834 -7.822 2.078 1.00 0.00 N flip ATOM 0 H GLN A 96 -8.842 -7.378 5.479 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.680 -9.824 3.971 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.205 -8.399 2.102 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.487 -7.655 3.038 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.119 -5.841 2.560 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.586 -6.282 4.170 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -6.491 -8.595 1.968 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -4.877 -7.914 1.738 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.047 -8.737 5.396 1.00 0.00 N ATOM 1479 CA GLY A 97 -4.628 -8.972 5.590 1.00 0.00 C ATOM 1480 C GLY A 97 -3.803 -7.701 5.517 1.00 0.00 C ATOM 1481 O GLY A 97 -2.580 -7.759 5.388 1.00 0.00 O ATOM 0 H GLY A 97 -6.503 -8.219 6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.473 -9.445 6.560 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.274 -9.673 4.834 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.465 -6.552 5.608 1.00 0.00 N ATOM 1486 CA ALA A 98 -3.771 -5.272 5.559 1.00 0.00 C ATOM 1487 C ALA A 98 -2.712 -5.198 6.649 1.00 0.00 C ATOM 1488 O ALA A 98 -2.946 -5.635 7.775 1.00 0.00 O ATOM 1489 CB ALA A 98 -4.756 -4.125 5.701 1.00 0.00 C ATOM 0 H ALA A 98 -5.477 -6.482 5.716 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.278 -5.186 4.590 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.219 -3.177 5.662 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.481 -4.165 4.888 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.276 -4.208 6.655 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.546 -4.651 6.319 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.476 -4.540 7.295 1.00 0.00 C ATOM 1497 C PHE A 99 -0.832 -3.525 8.369 1.00 0.00 C ATOM 1498 O PHE A 99 -0.772 -3.831 9.560 1.00 0.00 O ATOM 1499 CB PHE A 99 0.848 -4.157 6.634 1.00 0.00 C ATOM 1500 CG PHE A 99 2.007 -4.192 7.590 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.196 -5.280 8.429 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.902 -3.135 7.658 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.255 -5.313 9.317 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.963 -3.164 8.543 1.00 0.00 C ATOM 1505 CZ PHE A 99 4.140 -4.253 9.374 1.00 0.00 C ATOM 0 H PHE A 99 -1.323 -4.283 5.394 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.354 -5.519 7.758 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.045 -4.837 5.805 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.762 -3.156 6.211 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.508 -6.111 8.388 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.768 -2.280 7.012 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.391 -6.166 9.965 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.654 -2.335 8.585 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.968 -4.276 10.067 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.204 -2.313 7.957 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.565 -1.274 8.925 1.00 0.00 C ATOM 1517 C ASP A 100 -1.854 0.071 8.251 1.00 0.00 C ATOM 1518 O ASP A 100 -2.119 0.134 7.050 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.449 -1.118 9.963 1.00 0.00 C ATOM 1520 CG ASP A 100 -0.964 -1.246 11.383 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -2.093 -0.785 11.649 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -0.238 -1.810 12.229 1.00 0.00 O ATOM 0 H ASP A 100 -1.263 -2.028 6.979 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.484 -1.590 9.419 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.317 -1.874 9.787 1.00 0.00 H new ATOM 0 HB3 ASP A 100 0.028 -0.146 9.838 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.802 1.144 9.046 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.059 2.495 8.547 1.00 0.00 C ATOM 1529 C TYR A 101 -0.969 3.457 9.023 1.00 0.00 C ATOM 1530 O TYR A 101 -0.782 3.656 10.224 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.437 2.997 9.010 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.551 2.750 8.015 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.142 1.498 7.878 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -5.016 3.781 7.212 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.162 1.286 6.971 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -6.035 3.577 6.303 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.606 2.328 6.187 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.622 2.117 5.280 1.00 0.00 O ATOM 0 H TYR A 101 -1.583 1.101 10.041 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.050 2.459 7.458 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.691 2.511 9.952 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.374 4.067 9.210 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.798 0.678 8.491 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.573 4.762 7.299 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.609 0.308 6.877 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.383 4.392 5.686 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.746 1.154 5.146 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.257 4.046 8.071 1.00 0.00 N ATOM 1549 CA LEU A 102 0.821 4.987 8.370 1.00 0.00 C ATOM 1550 C LEU A 102 0.350 6.421 8.147 1.00 0.00 C ATOM 1551 O LEU A 102 -0.375 6.694 7.197 1.00 0.00 O ATOM 1552 CB LEU A 102 2.027 4.682 7.469 1.00 0.00 C ATOM 1553 CG LEU A 102 3.162 5.715 7.472 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.178 5.392 8.558 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.843 5.759 6.106 1.00 0.00 C ATOM 0 H LEU A 102 -0.407 3.888 7.075 1.00 0.00 H new ATOM 0 HA LEU A 102 1.112 4.878 9.415 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.441 3.719 7.768 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.669 4.571 6.445 1.00 0.00 H new ATOM 0 HG LEU A 102 2.734 6.695 7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.975 6.136 8.544 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.687 5.405 9.531 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.601 4.404 8.378 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.646 6.496 6.123 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.256 4.778 5.874 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.114 6.035 5.344 1.00 0.00 H new ATOM 1567 N PRO A 103 0.755 7.362 9.016 1.00 0.00 N ATOM 1568 CA PRO A 103 0.362 8.768 8.881 1.00 0.00 C ATOM 1569 C PRO A 103 0.820 9.340 7.538 1.00 0.00 C ATOM 1570 O PRO A 103 1.583 8.695 6.820 1.00 0.00 O ATOM 1571 CB PRO A 103 1.062 9.457 10.063 1.00 0.00 C ATOM 1572 CG PRO A 103 2.151 8.520 10.464 1.00 0.00 C ATOM 1573 CD PRO A 103 1.625 7.143 10.182 1.00 0.00 C ATOM 0 HA PRO A 103 -0.718 8.912 8.899 1.00 0.00 H new ATOM 0 HB2 PRO A 103 1.463 10.428 9.773 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.368 9.632 10.886 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.063 8.714 9.899 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.399 8.636 11.519 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.428 6.440 9.962 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.072 6.739 11.030 1.00 0.00 H new ATOM 1581 N LYS A 104 0.332 10.531 7.186 1.00 0.00 N ATOM 1582 CA LYS A 104 0.678 11.153 5.903 1.00 0.00 C ATOM 1583 C LYS A 104 2.158 10.999 5.547 1.00 0.00 C ATOM 1584 O LYS A 104 2.485 10.692 4.402 1.00 0.00 O ATOM 1585 CB LYS A 104 0.284 12.629 5.874 1.00 0.00 C ATOM 1586 CG LYS A 104 0.383 13.246 4.483 1.00 0.00 C ATOM 1587 CD LYS A 104 -0.386 12.436 3.443 1.00 0.00 C ATOM 1588 CE LYS A 104 0.547 11.781 2.427 1.00 0.00 C ATOM 1589 NZ LYS A 104 -0.201 10.989 1.409 1.00 0.00 N ATOM 0 H LYS A 104 -0.300 11.083 7.766 1.00 0.00 H new ATOM 0 HA LYS A 104 0.103 10.617 5.147 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.737 12.734 6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 104 0.926 13.184 6.558 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -0.005 14.264 4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 104 1.431 13.312 4.189 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -0.974 11.667 3.944 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -1.089 13.087 2.923 1.00 0.00 H new ATOM 0 HE2 LYS A 104 1.135 12.550 1.927 1.00 0.00 H new ATOM 0 HE3 LYS A 104 1.250 11.130 2.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 0.339 10.133 1.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -1.129 10.718 1.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -0.336 11.563 0.553 1.00 0.00 H new ATOM 1603 N PRO A 105 3.089 11.196 6.502 1.00 0.00 N ATOM 1604 CA PRO A 105 4.516 11.055 6.214 1.00 0.00 C ATOM 1605 C PRO A 105 4.775 9.768 5.442 1.00 0.00 C ATOM 1606 O PRO A 105 3.907 8.896 5.380 1.00 0.00 O ATOM 1607 CB PRO A 105 5.148 11.014 7.605 1.00 0.00 C ATOM 1608 CG PRO A 105 4.225 11.831 8.443 1.00 0.00 C ATOM 1609 CD PRO A 105 2.842 11.572 7.904 1.00 0.00 C ATOM 0 HA PRO A 105 4.921 11.855 5.595 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.227 9.993 7.978 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.155 11.430 7.598 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.295 11.546 9.493 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.476 12.890 8.382 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.340 10.775 8.452 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.209 12.457 7.978 1.00 0.00 H new ATOM 1617 N PHE A 106 5.936 9.661 4.813 1.00 0.00 N ATOM 1618 CA PHE A 106 6.232 8.489 4.009 1.00 0.00 C ATOM 1619 C PHE A 106 7.718 8.414 3.655 1.00 0.00 C ATOM 1620 O PHE A 106 8.503 7.837 4.405 1.00 0.00 O ATOM 1621 CB PHE A 106 5.358 8.533 2.749 1.00 0.00 C ATOM 1622 CG PHE A 106 4.943 7.189 2.222 1.00 0.00 C ATOM 1623 CD1 PHE A 106 4.036 6.397 2.911 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.453 6.727 1.020 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.648 5.168 2.407 1.00 0.00 C ATOM 1626 CE2 PHE A 106 5.069 5.502 0.514 1.00 0.00 C ATOM 1627 CZ PHE A 106 4.167 4.722 1.205 1.00 0.00 C ATOM 0 H PHE A 106 6.677 10.361 4.843 1.00 0.00 H new ATOM 0 HA PHE A 106 6.005 7.589 4.580 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.462 9.115 2.966 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.901 9.063 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.629 6.743 3.850 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.160 7.333 0.472 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.942 4.559 2.951 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.476 5.154 -0.424 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.866 3.764 0.808 1.00 0.00 H new ATOM 1637 N ASP A 107 8.112 8.989 2.514 1.00 0.00 N ATOM 1638 CA ASP A 107 9.509 8.958 2.089 1.00 0.00 C ATOM 1639 C ASP A 107 10.102 7.568 2.307 1.00 0.00 C ATOM 1640 O ASP A 107 9.406 6.644 2.716 1.00 0.00 O ATOM 1641 CB ASP A 107 10.322 10.015 2.843 1.00 0.00 C ATOM 1642 CG ASP A 107 10.509 9.673 4.309 1.00 0.00 C ATOM 1643 OD1 ASP A 107 9.599 9.975 5.109 1.00 0.00 O ATOM 1644 OD2 ASP A 107 11.566 9.104 4.656 1.00 0.00 O ATOM 0 H ASP A 107 7.486 9.478 1.874 1.00 0.00 H new ATOM 0 HA ASP A 107 9.552 9.187 1.024 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.299 10.121 2.371 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.822 10.980 2.760 1.00 0.00 H new ATOM 1649 N ILE A 108 11.382 7.414 2.036 1.00 0.00 N ATOM 1650 CA ILE A 108 12.024 6.125 2.212 1.00 0.00 C ATOM 1651 C ILE A 108 12.105 5.752 3.680 1.00 0.00 C ATOM 1652 O ILE A 108 11.807 4.625 4.070 1.00 0.00 O ATOM 1653 CB ILE A 108 13.416 6.125 1.538 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.273 5.729 0.068 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.424 5.217 2.241 1.00 0.00 C ATOM 1656 CD1 ILE A 108 12.070 6.353 -0.616 1.00 0.00 C ATOM 0 H ILE A 108 11.994 8.156 1.696 1.00 0.00 H new ATOM 0 HA ILE A 108 11.417 5.362 1.724 1.00 0.00 H new ATOM 0 HB ILE A 108 13.812 7.137 1.616 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.176 6.021 -0.468 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.197 4.644 -0.001 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.380 5.262 1.719 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.557 5.549 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.055 4.191 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.033 6.027 -1.656 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.159 6.041 -0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.153 7.439 -0.579 1.00 0.00 H new ATOM 1668 N ASP A 109 12.503 6.702 4.486 1.00 0.00 N ATOM 1669 CA ASP A 109 12.622 6.475 5.914 1.00 0.00 C ATOM 1670 C ASP A 109 11.337 5.889 6.508 1.00 0.00 C ATOM 1671 O ASP A 109 11.374 4.838 7.138 1.00 0.00 O ATOM 1672 CB ASP A 109 12.978 7.773 6.635 1.00 0.00 C ATOM 1673 CG ASP A 109 13.850 7.527 7.850 1.00 0.00 C ATOM 1674 OD1 ASP A 109 13.492 6.656 8.670 1.00 0.00 O ATOM 1675 OD2 ASP A 109 14.892 8.203 7.980 1.00 0.00 O ATOM 0 H ASP A 109 12.752 7.644 4.183 1.00 0.00 H new ATOM 0 HA ASP A 109 13.422 5.749 6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.496 8.440 5.946 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.063 8.280 6.942 1.00 0.00 H new ATOM 1680 N GLU A 110 10.214 6.593 6.335 1.00 0.00 N ATOM 1681 CA GLU A 110 8.936 6.160 6.892 1.00 0.00 C ATOM 1682 C GLU A 110 8.263 5.055 6.073 1.00 0.00 C ATOM 1683 O GLU A 110 7.526 4.236 6.625 1.00 0.00 O ATOM 1684 CB GLU A 110 7.989 7.363 7.040 1.00 0.00 C ATOM 1685 CG GLU A 110 8.617 8.563 7.735 1.00 0.00 C ATOM 1686 CD GLU A 110 8.428 8.535 9.240 1.00 0.00 C ATOM 1687 OE1 GLU A 110 8.569 7.447 9.837 1.00 0.00 O ATOM 1688 OE2 GLU A 110 8.139 9.602 9.822 1.00 0.00 O ATOM 0 H GLU A 110 10.168 7.467 5.812 1.00 0.00 H new ATOM 0 HA GLU A 110 9.151 5.733 7.872 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.647 7.667 6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.107 7.052 7.600 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.683 8.592 7.508 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.180 9.478 7.335 1.00 0.00 H new ATOM 1695 N ALA A 111 8.504 5.023 4.767 1.00 0.00 N ATOM 1696 CA ALA A 111 7.893 4.003 3.926 1.00 0.00 C ATOM 1697 C ALA A 111 8.702 2.718 3.949 1.00 0.00 C ATOM 1698 O ALA A 111 8.161 1.644 4.213 1.00 0.00 O ATOM 1699 CB ALA A 111 7.710 4.505 2.508 1.00 0.00 C ATOM 0 H ALA A 111 9.108 5.681 4.275 1.00 0.00 H new ATOM 0 HA ALA A 111 6.906 3.783 4.333 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.252 3.724 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.066 5.384 2.514 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.680 4.769 2.087 1.00 0.00 H new ATOM 1705 N VAL A 112 10.002 2.824 3.687 1.00 0.00 N ATOM 1706 CA VAL A 112 10.857 1.651 3.702 1.00 0.00 C ATOM 1707 C VAL A 112 10.822 0.996 5.076 1.00 0.00 C ATOM 1708 O VAL A 112 10.912 -0.223 5.211 1.00 0.00 O ATOM 1709 CB VAL A 112 12.310 1.974 3.333 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.122 0.691 3.263 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.373 2.728 2.015 1.00 0.00 C ATOM 0 H VAL A 112 10.477 3.699 3.465 1.00 0.00 H new ATOM 0 HA VAL A 112 10.468 0.968 2.946 1.00 0.00 H new ATOM 0 HB VAL A 112 12.737 2.615 4.105 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.153 0.927 3.000 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.099 0.193 4.232 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.697 0.032 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.412 2.948 1.771 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.936 2.117 1.225 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.816 3.661 2.102 1.00 0.00 H new ATOM 1721 N ALA A 113 10.660 1.824 6.091 1.00 0.00 N ATOM 1722 CA ALA A 113 10.572 1.346 7.459 1.00 0.00 C ATOM 1723 C ALA A 113 9.383 0.411 7.590 1.00 0.00 C ATOM 1724 O ALA A 113 9.487 -0.699 8.114 1.00 0.00 O ATOM 1725 CB ALA A 113 10.400 2.522 8.404 1.00 0.00 C ATOM 0 H ALA A 113 10.586 2.837 5.993 1.00 0.00 H new ATOM 0 HA ALA A 113 11.487 0.812 7.715 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.334 2.158 9.429 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.255 3.192 8.311 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.487 3.061 8.151 1.00 0.00 H new ATOM 1731 N LEU A 114 8.246 0.900 7.121 1.00 0.00 N ATOM 1732 CA LEU A 114 6.997 0.164 7.178 1.00 0.00 C ATOM 1733 C LEU A 114 6.890 -0.897 6.080 1.00 0.00 C ATOM 1734 O LEU A 114 6.095 -1.829 6.196 1.00 0.00 O ATOM 1735 CB LEU A 114 5.831 1.145 7.077 1.00 0.00 C ATOM 1736 CG LEU A 114 4.489 0.654 7.630 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.622 0.165 9.065 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.466 1.769 7.562 1.00 0.00 C ATOM 0 H LEU A 114 8.165 1.821 6.689 1.00 0.00 H new ATOM 0 HA LEU A 114 6.965 -0.365 8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.105 2.060 7.603 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.694 1.409 6.028 1.00 0.00 H new ATOM 0 HG LEU A 114 4.160 -0.185 7.017 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.651 -0.176 9.425 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.333 -0.660 9.104 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.977 0.980 9.696 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.514 1.414 7.957 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.811 2.616 8.155 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.336 2.081 6.526 1.00 0.00 H new ATOM 1750 N VAL A 115 7.671 -0.757 5.010 1.00 0.00 N ATOM 1751 CA VAL A 115 7.609 -1.724 3.913 1.00 0.00 C ATOM 1752 C VAL A 115 8.292 -3.041 4.272 1.00 0.00 C ATOM 1753 O VAL A 115 7.706 -4.112 4.121 1.00 0.00 O ATOM 1754 CB VAL A 115 8.208 -1.181 2.590 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.724 -1.166 2.626 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.729 -2.020 1.419 1.00 0.00 C ATOM 0 H VAL A 115 8.342 0.000 4.879 1.00 0.00 H new ATOM 0 HA VAL A 115 6.546 -1.904 3.754 1.00 0.00 H new ATOM 0 HB VAL A 115 7.865 -0.153 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 115 10.107 -0.779 1.681 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.062 -0.528 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.094 -2.180 2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.155 -1.631 0.494 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.046 -3.053 1.558 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.641 -1.979 1.363 1.00 0.00 H new ATOM 1766 N GLU A 116 9.531 -2.964 4.741 1.00 0.00 N ATOM 1767 CA GLU A 116 10.275 -4.160 5.112 1.00 0.00 C ATOM 1768 C GLU A 116 9.670 -4.815 6.345 1.00 0.00 C ATOM 1769 O GLU A 116 9.610 -6.039 6.444 1.00 0.00 O ATOM 1770 CB GLU A 116 11.748 -3.823 5.338 1.00 0.00 C ATOM 1771 CG GLU A 116 12.486 -3.493 4.049 1.00 0.00 C ATOM 1772 CD GLU A 116 13.982 -3.365 4.248 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.406 -3.083 5.388 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.730 -3.544 3.264 1.00 0.00 O ATOM 0 H GLU A 116 10.040 -2.090 4.873 1.00 0.00 H new ATOM 0 HA GLU A 116 10.210 -4.874 4.291 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.821 -2.975 6.019 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.238 -4.666 5.825 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.287 -4.271 3.312 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.097 -2.560 3.641 1.00 0.00 H new ATOM 1781 N ARG A 117 9.216 -3.991 7.280 1.00 0.00 N ATOM 1782 CA ARG A 117 8.607 -4.499 8.501 1.00 0.00 C ATOM 1783 C ARG A 117 7.339 -5.278 8.179 1.00 0.00 C ATOM 1784 O ARG A 117 6.913 -6.137 8.950 1.00 0.00 O ATOM 1785 CB ARG A 117 8.289 -3.352 9.460 1.00 0.00 C ATOM 1786 CG ARG A 117 9.523 -2.720 10.081 1.00 0.00 C ATOM 1787 CD ARG A 117 9.854 -3.346 11.426 1.00 0.00 C ATOM 1788 NE ARG A 117 11.144 -2.884 11.937 1.00 0.00 N ATOM 1789 CZ ARG A 117 11.333 -2.390 13.159 1.00 0.00 C ATOM 1790 NH1 ARG A 117 10.320 -2.279 14.011 1.00 0.00 N ATOM 1791 NH2 ARG A 117 12.544 -2.000 13.531 1.00 0.00 N ATOM 0 H ARG A 117 9.258 -2.974 7.217 1.00 0.00 H new ATOM 0 HA ARG A 117 9.318 -5.170 8.984 1.00 0.00 H new ATOM 0 HB2 ARG A 117 7.729 -2.586 8.924 1.00 0.00 H new ATOM 0 HB3 ARG A 117 7.642 -3.723 10.255 1.00 0.00 H new ATOM 0 HG2 ARG A 117 10.371 -2.836 9.406 1.00 0.00 H new ATOM 0 HG3 ARG A 117 9.360 -1.650 10.207 1.00 0.00 H new ATOM 0 HD2 ARG A 117 9.070 -3.102 12.143 1.00 0.00 H new ATOM 0 HD3 ARG A 117 9.869 -4.431 11.328 1.00 0.00 H new ATOM 0 HE ARG A 117 11.952 -2.944 11.317 1.00 0.00 H new ATOM 0 HH11 ARG A 117 9.384 -2.574 13.732 1.00 0.00 H new ATOM 0 HH12 ARG A 117 10.478 -1.899 14.944 1.00 0.00 H new ATOM 0 HH21 ARG A 117 13.327 -2.079 12.882 1.00 0.00 H new ATOM 0 HH22 ARG A 117 12.693 -1.621 14.466 1.00 0.00 H new ATOM 1805 N ALA A 118 6.742 -4.970 7.033 1.00 0.00 N ATOM 1806 CA ALA A 118 5.522 -5.632 6.594 1.00 0.00 C ATOM 1807 C ALA A 118 5.802 -7.065 6.158 1.00 0.00 C ATOM 1808 O ALA A 118 5.184 -8.009 6.651 1.00 0.00 O ATOM 1809 CB ALA A 118 4.883 -4.849 5.455 1.00 0.00 C ATOM 0 H ALA A 118 7.088 -4.260 6.388 1.00 0.00 H new ATOM 0 HA ALA A 118 4.830 -5.665 7.436 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.971 -5.353 5.134 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.641 -3.843 5.796 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.579 -4.791 4.618 1.00 0.00 H new ATOM 1815 N ILE A 119 6.735 -7.219 5.227 1.00 0.00 N ATOM 1816 CA ILE A 119 7.104 -8.530 4.714 1.00 0.00 C ATOM 1817 C ILE A 119 7.788 -9.367 5.788 1.00 0.00 C ATOM 1818 O ILE A 119 7.687 -10.595 5.799 1.00 0.00 O ATOM 1819 CB ILE A 119 8.047 -8.403 3.503 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.466 -7.434 2.472 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.302 -9.762 2.871 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.516 -6.576 1.805 1.00 0.00 C ATOM 0 H ILE A 119 7.253 -6.445 4.810 1.00 0.00 H new ATOM 0 HA ILE A 119 6.183 -9.025 4.405 1.00 0.00 H new ATOM 0 HB ILE A 119 9.000 -8.007 3.854 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.932 -8.001 1.710 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.735 -6.789 2.960 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.971 -9.647 2.018 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.761 -10.424 3.605 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.357 -10.191 2.536 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.039 -5.911 1.085 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.034 -5.983 2.559 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.234 -7.214 1.289 1.00 0.00 H new ATOM 1834 N SER A 120 8.485 -8.688 6.685 1.00 0.00 N ATOM 1835 CA SER A 120 9.197 -9.352 7.769 1.00 0.00 C ATOM 1836 C SER A 120 8.227 -10.004 8.749 1.00 0.00 C ATOM 1837 O SER A 120 8.409 -11.156 9.143 1.00 0.00 O ATOM 1838 CB SER A 120 10.090 -8.356 8.510 1.00 0.00 C ATOM 1839 OG SER A 120 11.342 -8.213 7.861 1.00 0.00 O ATOM 0 H SER A 120 8.574 -7.672 6.685 1.00 0.00 H new ATOM 0 HA SER A 120 9.818 -10.132 7.329 1.00 0.00 H new ATOM 0 HB2 SER A 120 9.593 -7.388 8.565 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.244 -8.694 9.535 1.00 0.00 H new ATOM 0 HG SER A 120 11.287 -7.492 7.200 1.00 0.00 H new ATOM 1845 N HIS A 121 7.199 -9.259 9.144 1.00 0.00 N ATOM 1846 CA HIS A 121 6.205 -9.766 10.084 1.00 0.00 C ATOM 1847 C HIS A 121 5.545 -11.035 9.556 1.00 0.00 C ATOM 1848 O HIS A 121 5.073 -11.869 10.328 1.00 0.00 O ATOM 1849 CB HIS A 121 5.143 -8.701 10.363 1.00 0.00 C ATOM 1850 CG HIS A 121 5.487 -7.798 11.508 1.00 0.00 C ATOM 1851 ND1 HIS A 121 5.790 -6.462 11.347 1.00 0.00 N ATOM 1852 CD2 HIS A 121 5.571 -8.044 12.837 1.00 0.00 C ATOM 1853 CE1 HIS A 121 6.048 -5.926 12.527 1.00 0.00 C ATOM 1854 NE2 HIS A 121 5.922 -6.864 13.447 1.00 0.00 N ATOM 0 H HIS A 121 7.033 -8.303 8.828 1.00 0.00 H new ATOM 0 HA HIS A 121 6.718 -10.009 11.014 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.000 -8.098 9.466 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.193 -9.193 10.572 1.00 0.00 H new ATOM 0 HD1 HIS A 121 5.812 -5.965 10.456 1.00 0.00 H new ATOM 0 HD2 HIS A 121 5.395 -8.991 13.326 1.00 0.00 H new ATOM 0 HE1 HIS A 121 6.316 -4.896 12.708 1.00 0.00 H new ATOM 1863 N TYR A 122 5.518 -11.172 8.237 1.00 0.00 N ATOM 1864 CA TYR A 122 4.919 -12.336 7.600 1.00 0.00 C ATOM 1865 C TYR A 122 5.859 -13.535 7.660 1.00 0.00 C ATOM 1866 O TYR A 122 5.504 -14.590 8.185 1.00 0.00 O ATOM 1867 CB TYR A 122 4.568 -12.026 6.144 1.00 0.00 C ATOM 1868 CG TYR A 122 3.162 -11.506 5.958 1.00 0.00 C ATOM 1869 CD1 TYR A 122 2.061 -12.303 6.245 1.00 0.00 C ATOM 1870 CD2 TYR A 122 2.936 -10.216 5.496 1.00 0.00 C ATOM 1871 CE1 TYR A 122 0.773 -11.830 6.077 1.00 0.00 C ATOM 1872 CE2 TYR A 122 1.652 -9.735 5.326 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.574 -10.545 5.617 1.00 0.00 C ATOM 1874 OH TYR A 122 -0.706 -10.068 5.449 1.00 0.00 O ATOM 0 H TYR A 122 5.905 -10.489 7.586 1.00 0.00 H new ATOM 0 HA TYR A 122 4.007 -12.583 8.143 1.00 0.00 H new ATOM 0 HB2 TYR A 122 5.273 -11.289 5.758 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.694 -12.930 5.548 1.00 0.00 H new ATOM 0 HD1 TYR A 122 2.214 -13.309 6.606 1.00 0.00 H new ATOM 0 HD2 TYR A 122 3.777 -9.579 5.266 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.072 -12.463 6.305 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.493 -8.729 4.967 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.791 -9.197 5.889 1.00 0.00 H new ATOM 1884 N GLN A 123 7.058 -13.364 7.113 1.00 0.00 N ATOM 1885 CA GLN A 123 8.050 -14.428 7.099 1.00 0.00 C ATOM 1886 C GLN A 123 8.684 -14.597 8.475 1.00 0.00 C ATOM 1887 O GLN A 123 8.266 -13.965 9.444 1.00 0.00 O ATOM 1888 CB GLN A 123 9.130 -14.134 6.055 1.00 0.00 C ATOM 1889 CG GLN A 123 9.910 -12.859 6.329 1.00 0.00 C ATOM 1890 CD GLN A 123 10.729 -12.407 5.137 1.00 0.00 C ATOM 1891 OE1 GLN A 123 10.610 -12.959 4.042 1.00 0.00 O ATOM 1892 NE2 GLN A 123 11.570 -11.401 5.345 1.00 0.00 N ATOM 0 H GLN A 123 7.365 -12.496 6.673 1.00 0.00 H new ATOM 0 HA GLN A 123 7.547 -15.358 6.835 1.00 0.00 H new ATOM 0 HB2 GLN A 123 9.824 -14.973 6.016 1.00 0.00 H new ATOM 0 HB3 GLN A 123 8.664 -14.061 5.073 1.00 0.00 H new ATOM 0 HG2 GLN A 123 9.216 -12.067 6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 123 10.572 -13.019 7.180 1.00 0.00 H new ATOM 0 HE21 GLN A 123 11.635 -10.974 6.269 1.00 0.00 H new ATOM 0 HE22 GLN A 123 12.151 -11.055 4.581 1.00 0.00 H new ATOM 1901 N GLU A 124 9.695 -15.456 8.554 1.00 0.00 N ATOM 1902 CA GLU A 124 10.386 -15.706 9.814 1.00 0.00 C ATOM 1903 C GLU A 124 11.747 -16.351 9.572 1.00 0.00 C ATOM 1904 O GLU A 124 11.845 -17.558 9.357 1.00 0.00 O ATOM 1905 CB GLU A 124 9.533 -16.603 10.716 1.00 0.00 C ATOM 1906 CG GLU A 124 10.019 -16.653 12.155 1.00 0.00 C ATOM 1907 CD GLU A 124 9.116 -15.887 13.102 1.00 0.00 C ATOM 1908 OE1 GLU A 124 9.332 -14.668 13.271 1.00 0.00 O ATOM 1909 OE2 GLU A 124 8.192 -16.504 13.673 1.00 0.00 O ATOM 0 H GLU A 124 10.054 -15.990 7.762 1.00 0.00 H new ATOM 0 HA GLU A 124 10.544 -14.748 10.310 1.00 0.00 H new ATOM 0 HB2 GLU A 124 8.503 -16.246 10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 124 9.526 -17.614 10.308 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.080 -17.692 12.478 1.00 0.00 H new ATOM 0 HG3 GLU A 124 11.027 -16.243 12.209 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.911 11.117 -0.474 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -3.879 12.234 -0.624 1.00 0.00 F HETATM 1919 F2 BEF A 125 -1.574 11.564 -0.936 1.00 0.00 F HETATM 1920 F3 BEF A 125 -2.835 10.708 0.953 1.00 0.00 F