USER MOD reduce.3.24.130724 H: found=0, std=0, add=960, rem=0, adj=26 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 68 GLN : amide:sc= 0.303 K(o=0.11,f=-0.78) USER MOD Set 1.2: A 71 GLN : amide:sc= -0.191 X(o=0.11,f=-0.12) USER MOD Set 2.1: A 1 MET N :NH3+ 167:sc= 0 (180deg=0) USER MOD Set 2.2: A 123 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.0387 X(o=-0.039,f=-0.25) 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 140:sc= -2.38 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 70:sc= -5.07! USER MOD Single : A 35 ASN :FLIP amide:sc= -1.7! C(o=-4.7!,f=-1.7!) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.486 F(o=-3.6!,f=-0.49) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 160:sc= 0 USER MOD Single : A 57 MET CE :methyl -145:sc= 0 (180deg=-1.26) USER MOD Single : A 60 MET CE :methyl 149:sc= -0.312 (180deg=-1.38!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -171:sc= -0.0145 (180deg=-0.112) USER MOD Single : A 73 HIS :FLIP no HD1:sc= -7.83! C(o=-12!,f=-7.8!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -169:sc= -14! (180deg=-14.7!) USER MOD Single : A 82 THR OG1 : rot 136:sc= 0.0615 USER MOD Single : A 84 HIS : no HD1:sc= -4.57 K(o=-4.6,f=-5.2!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 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= 0.42 K(o=0.42,f=-0.11) USER MOD Single : A 96 GLN : amide:sc= -1.84 K(o=-1.8,f=-2.5) USER MOD Single : A 101 TYR OH : rot -153:sc= -4.71! USER MOD Single : A 104 LYS NZ :NH3+ 149:sc= 1.19 (180deg=0.179) USER MOD Single : A 120 SER OG : rot 160:sc= -0.645 USER MOD Single : A 121 HIS : no HE2:sc= -0.075 X(o=-0.075,f=-0.19) USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 7.987 -17.299 -0.427 1.00 0.00 N ATOM 2 CA MET A 1 7.227 -17.740 -1.626 1.00 0.00 C ATOM 3 C MET A 1 7.540 -16.860 -2.832 1.00 0.00 C ATOM 4 O MET A 1 8.170 -17.306 -3.792 1.00 0.00 O ATOM 5 CB MET A 1 5.731 -17.688 -1.302 1.00 0.00 C ATOM 6 CG MET A 1 5.123 -19.053 -1.022 1.00 0.00 C ATOM 7 SD MET A 1 4.940 -19.385 0.741 1.00 0.00 S ATOM 8 CE MET A 1 6.047 -20.779 0.932 1.00 0.00 C ATOM 0 H1 MET A 1 7.599 -17.762 0.420 1.00 0.00 H new ATOM 0 H2 MET A 1 8.988 -17.559 -0.536 1.00 0.00 H new ATOM 0 H3 MET A 1 7.906 -16.267 -0.325 1.00 0.00 H new ATOM 0 HA MET A 1 7.519 -18.759 -1.881 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.577 -17.046 -0.435 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.202 -17.228 -2.137 1.00 0.00 H new ATOM 0 HG2 MET A 1 4.147 -19.117 -1.503 1.00 0.00 H new ATOM 0 HG3 MET A 1 5.750 -19.824 -1.470 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.046 -21.104 1.972 1.00 0.00 H new ATOM 0 HE2 MET A 1 5.713 -21.598 0.295 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.056 -20.484 0.645 1.00 0.00 H new ATOM 20 N GLN A 2 7.098 -15.606 -2.778 1.00 0.00 N ATOM 21 CA GLN A 2 7.335 -14.666 -3.869 1.00 0.00 C ATOM 22 C GLN A 2 8.663 -13.936 -3.682 1.00 0.00 C ATOM 23 O GLN A 2 9.202 -13.880 -2.577 1.00 0.00 O ATOM 24 CB GLN A 2 6.193 -13.653 -3.961 1.00 0.00 C ATOM 25 CG GLN A 2 5.686 -13.432 -5.377 1.00 0.00 C ATOM 26 CD GLN A 2 4.312 -14.030 -5.605 1.00 0.00 C ATOM 27 OE1 GLN A 2 3.402 -13.852 -4.796 1.00 0.00 O ATOM 28 NE2 GLN A 2 4.157 -14.743 -6.713 1.00 0.00 N ATOM 0 H GLN A 2 6.575 -15.219 -1.992 1.00 0.00 H new ATOM 0 HA GLN A 2 7.380 -15.235 -4.798 1.00 0.00 H new ATOM 0 HB2 GLN A 2 5.366 -13.993 -3.337 1.00 0.00 H new ATOM 0 HB3 GLN A 2 6.530 -12.700 -3.552 1.00 0.00 H new ATOM 0 HG2 GLN A 2 5.651 -12.362 -5.584 1.00 0.00 H new ATOM 0 HG3 GLN A 2 6.391 -13.870 -6.084 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.940 -14.864 -7.355 1.00 0.00 H new ATOM 0 HE22 GLN A 2 3.255 -15.170 -6.923 1.00 0.00 H new ATOM 37 N ARG A 3 9.184 -13.383 -4.772 1.00 0.00 N ATOM 38 CA ARG A 3 10.453 -12.664 -4.737 1.00 0.00 C ATOM 39 C ARG A 3 10.367 -11.410 -3.878 1.00 0.00 C ATOM 40 O ARG A 3 11.068 -11.274 -2.876 1.00 0.00 O ATOM 41 CB ARG A 3 10.900 -12.292 -6.157 1.00 0.00 C ATOM 42 CG ARG A 3 9.820 -11.628 -7.006 1.00 0.00 C ATOM 43 CD ARG A 3 9.934 -12.040 -8.465 1.00 0.00 C ATOM 44 NE ARG A 3 8.988 -13.099 -8.813 1.00 0.00 N ATOM 45 CZ ARG A 3 7.669 -12.928 -8.854 1.00 0.00 C ATOM 46 NH1 ARG A 3 7.139 -11.743 -8.577 1.00 0.00 N ATOM 47 NH2 ARG A 3 6.877 -13.942 -9.177 1.00 0.00 N ATOM 0 H ARG A 3 8.746 -13.419 -5.693 1.00 0.00 H new ATOM 0 HA ARG A 3 11.191 -13.330 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG A 3 11.756 -11.621 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 3 11.241 -13.194 -6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.836 -11.900 -6.625 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.905 -10.544 -6.924 1.00 0.00 H new ATOM 0 HD2 ARG A 3 9.757 -11.173 -9.101 1.00 0.00 H new ATOM 0 HD3 ARG A 3 10.949 -12.381 -8.667 1.00 0.00 H new ATOM 0 HE ARG A 3 9.360 -14.022 -9.037 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.743 -10.959 -8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 3 6.127 -11.617 -8.610 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.279 -14.854 -9.394 1.00 0.00 H new ATOM 0 HH22 ARG A 3 5.866 -13.810 -9.208 1.00 0.00 H new ATOM 61 N GLY A 4 9.514 -10.497 -4.295 1.00 0.00 N ATOM 62 CA GLY A 4 9.343 -9.247 -3.587 1.00 0.00 C ATOM 63 C GLY A 4 8.865 -8.151 -4.512 1.00 0.00 C ATOM 64 O GLY A 4 9.639 -7.617 -5.307 1.00 0.00 O ATOM 0 H GLY A 4 8.927 -10.599 -5.123 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.626 -9.381 -2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.288 -8.953 -3.130 1.00 0.00 H new ATOM 68 N ILE A 5 7.584 -7.834 -4.423 1.00 0.00 N ATOM 69 CA ILE A 5 6.988 -6.813 -5.269 1.00 0.00 C ATOM 70 C ILE A 5 6.182 -5.813 -4.447 1.00 0.00 C ATOM 71 O ILE A 5 5.145 -6.155 -3.880 1.00 0.00 O ATOM 72 CB ILE A 5 6.062 -7.454 -6.322 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.734 -8.680 -6.954 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.689 -6.436 -7.391 1.00 0.00 C ATOM 75 CD1 ILE A 5 8.001 -8.349 -7.712 1.00 0.00 C ATOM 0 H ILE A 5 6.934 -8.271 -3.770 1.00 0.00 H new ATOM 0 HA ILE A 5 7.804 -6.288 -5.766 1.00 0.00 H new ATOM 0 HB ILE A 5 5.149 -7.782 -5.826 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.966 -9.401 -6.171 1.00 0.00 H new ATOM 0 HG13 ILE A 5 6.029 -9.162 -7.632 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.035 -6.904 -8.127 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.172 -5.596 -6.928 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.593 -6.079 -7.884 1.00 0.00 H new ATOM 0 HD11 ILE A 5 8.423 -9.262 -8.132 1.00 0.00 H new ATOM 0 HD12 ILE A 5 7.771 -7.651 -8.517 1.00 0.00 H new ATOM 0 HD13 ILE A 5 8.723 -7.895 -7.033 1.00 0.00 H new ATOM 87 N VAL A 6 6.658 -4.573 -4.395 1.00 0.00 N ATOM 88 CA VAL A 6 5.967 -3.525 -3.656 1.00 0.00 C ATOM 89 C VAL A 6 5.312 -2.538 -4.608 1.00 0.00 C ATOM 90 O VAL A 6 5.923 -2.111 -5.584 1.00 0.00 O ATOM 91 CB VAL A 6 6.907 -2.731 -2.724 1.00 0.00 C ATOM 92 CG1 VAL A 6 7.880 -1.881 -3.530 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.084 -1.860 -1.784 1.00 0.00 C ATOM 0 H VAL A 6 7.517 -4.271 -4.855 1.00 0.00 H new ATOM 0 HA VAL A 6 5.219 -4.035 -3.048 1.00 0.00 H new ATOM 0 HB VAL A 6 7.492 -3.436 -2.133 1.00 0.00 H new ATOM 0 HG11 VAL A 6 8.532 -1.331 -2.851 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.483 -2.526 -4.169 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.323 -1.177 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 6 6.751 -1.301 -1.128 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.482 -1.164 -2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.429 -2.491 -1.183 1.00 0.00 H new ATOM 103 N TRP A 7 4.080 -2.163 -4.312 1.00 0.00 N ATOM 104 CA TRP A 7 3.363 -1.208 -5.139 1.00 0.00 C ATOM 105 C TRP A 7 2.944 -0.010 -4.294 1.00 0.00 C ATOM 106 O TRP A 7 2.358 -0.169 -3.225 1.00 0.00 O ATOM 107 CB TRP A 7 2.159 -1.886 -5.799 1.00 0.00 C ATOM 108 CG TRP A 7 2.543 -2.769 -6.957 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.808 -3.121 -7.339 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.659 -3.410 -7.881 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.764 -3.926 -8.446 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.456 -4.121 -8.798 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.272 -3.448 -8.025 1.00 0.00 C ATOM 114 CZ2 TRP A 7 1.909 -4.860 -9.842 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.271 -4.183 -9.062 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.547 -4.880 -9.959 1.00 0.00 C ATOM 0 H TRP A 7 3.556 -2.504 -3.506 1.00 0.00 H new ATOM 0 HA TRP A 7 4.015 -0.847 -5.934 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.631 -2.482 -5.054 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.464 -1.122 -6.147 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.713 -2.809 -6.839 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.573 -4.316 -8.929 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.366 -2.912 -7.338 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.538 -5.399 -10.535 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.344 -4.220 -9.182 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.093 -5.445 -10.760 1.00 0.00 H new ATOM 127 N VAL A 8 3.289 1.188 -4.754 1.00 0.00 N ATOM 128 CA VAL A 8 2.983 2.405 -4.004 1.00 0.00 C ATOM 129 C VAL A 8 2.057 3.339 -4.769 1.00 0.00 C ATOM 130 O VAL A 8 2.286 3.643 -5.935 1.00 0.00 O ATOM 131 CB VAL A 8 4.269 3.183 -3.653 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.180 3.772 -2.250 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.499 2.296 -3.797 1.00 0.00 C ATOM 0 H VAL A 8 3.777 1.344 -5.636 1.00 0.00 H new ATOM 0 HA VAL A 8 2.482 2.075 -3.094 1.00 0.00 H new ATOM 0 HB VAL A 8 4.368 4.008 -4.358 1.00 0.00 H new ATOM 0 HG11 VAL A 8 5.097 4.316 -2.025 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.331 4.454 -2.195 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.047 2.968 -1.526 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.392 2.868 -3.544 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.413 1.442 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.574 1.942 -4.825 1.00 0.00 H new ATOM 143 N VAL A 9 1.023 3.817 -4.093 1.00 0.00 N ATOM 144 CA VAL A 9 0.080 4.741 -4.707 1.00 0.00 C ATOM 145 C VAL A 9 0.117 6.090 -3.983 1.00 0.00 C ATOM 146 O VAL A 9 -0.409 6.211 -2.879 1.00 0.00 O ATOM 147 CB VAL A 9 -1.373 4.187 -4.688 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.069 4.458 -6.013 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.411 2.697 -4.385 1.00 0.00 C ATOM 0 H VAL A 9 0.816 3.582 -3.122 1.00 0.00 H new ATOM 0 HA VAL A 9 0.381 4.867 -5.747 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.901 4.707 -3.889 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.084 4.062 -5.978 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.104 5.533 -6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.518 3.974 -6.819 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.445 2.353 -4.382 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.851 2.156 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.964 2.513 -3.408 1.00 0.00 H new ATOM 159 N ASP A 10 0.739 7.101 -4.608 1.00 0.00 N ATOM 160 CA ASP A 10 0.833 8.443 -4.012 1.00 0.00 C ATOM 161 C ASP A 10 1.713 9.378 -4.841 1.00 0.00 C ATOM 162 O ASP A 10 2.938 9.333 -4.752 1.00 0.00 O ATOM 163 CB ASP A 10 1.386 8.375 -2.581 1.00 0.00 C ATOM 164 CG ASP A 10 1.183 9.675 -1.815 1.00 0.00 C ATOM 165 OD1 ASP A 10 1.129 10.741 -2.463 1.00 0.00 O ATOM 166 OD2 ASP A 10 1.079 9.627 -0.566 1.00 0.00 O ATOM 0 H ASP A 10 1.183 7.016 -5.522 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.181 8.844 -3.994 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.898 7.561 -2.045 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.450 8.141 -2.617 1.00 0.00 H new ATOM 171 N ASP A 11 1.075 10.238 -5.629 1.00 0.00 N ATOM 172 CA ASP A 11 1.778 11.218 -6.464 1.00 0.00 C ATOM 173 C ASP A 11 2.620 10.571 -7.565 1.00 0.00 C ATOM 174 O ASP A 11 3.042 11.255 -8.497 1.00 0.00 O ATOM 175 CB ASP A 11 2.669 12.109 -5.597 1.00 0.00 C ATOM 176 CG ASP A 11 2.697 13.547 -6.080 1.00 0.00 C ATOM 177 OD1 ASP A 11 1.705 13.986 -6.699 1.00 0.00 O ATOM 178 OD2 ASP A 11 3.713 14.235 -5.842 1.00 0.00 O ATOM 0 H ASP A 11 0.059 10.279 -5.710 1.00 0.00 H new ATOM 0 HA ASP A 11 1.009 11.816 -6.953 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.313 12.082 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.683 11.710 -5.594 1.00 0.00 H new ATOM 183 N ASP A 12 2.872 9.267 -7.462 1.00 0.00 N ATOM 184 CA ASP A 12 3.671 8.563 -8.460 1.00 0.00 C ATOM 185 C ASP A 12 4.931 9.365 -8.818 1.00 0.00 C ATOM 186 O ASP A 12 5.419 10.148 -8.002 1.00 0.00 O ATOM 187 CB ASP A 12 2.818 8.288 -9.706 1.00 0.00 C ATOM 188 CG ASP A 12 2.514 9.545 -10.498 1.00 0.00 C ATOM 189 OD1 ASP A 12 1.492 10.199 -10.203 1.00 0.00 O ATOM 190 OD2 ASP A 12 3.300 9.875 -11.409 1.00 0.00 O ATOM 0 H ASP A 12 2.535 8.679 -6.699 1.00 0.00 H new ATOM 0 HA ASP A 12 3.998 7.610 -8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 12 3.338 7.577 -10.347 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.882 7.819 -9.404 1.00 0.00 H new ATOM 195 N SER A 13 5.439 9.178 -10.040 1.00 0.00 N ATOM 196 CA SER A 13 6.625 9.881 -10.525 1.00 0.00 C ATOM 197 C SER A 13 7.639 10.182 -9.414 1.00 0.00 C ATOM 198 O SER A 13 8.513 9.366 -9.126 1.00 0.00 O ATOM 199 CB SER A 13 6.194 11.153 -11.247 1.00 0.00 C ATOM 200 OG SER A 13 7.155 11.545 -12.211 1.00 0.00 O ATOM 0 H SER A 13 5.037 8.533 -10.720 1.00 0.00 H new ATOM 0 HA SER A 13 7.144 9.223 -11.223 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.232 10.990 -11.734 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.053 11.955 -10.523 1.00 0.00 H new ATOM 0 HG SER A 13 6.853 12.362 -12.660 1.00 0.00 H new ATOM 206 N SER A 14 7.527 11.351 -8.799 1.00 0.00 N ATOM 207 CA SER A 14 8.443 11.742 -7.731 1.00 0.00 C ATOM 208 C SER A 14 8.441 10.706 -6.610 1.00 0.00 C ATOM 209 O SER A 14 9.480 10.136 -6.282 1.00 0.00 O ATOM 210 CB SER A 14 8.065 13.117 -7.180 1.00 0.00 C ATOM 211 OG SER A 14 8.938 13.505 -6.133 1.00 0.00 O ATOM 0 H SER A 14 6.813 12.046 -9.019 1.00 0.00 H new ATOM 0 HA SER A 14 9.449 11.796 -8.148 1.00 0.00 H new ATOM 0 HB2 SER A 14 8.102 13.856 -7.981 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.039 13.096 -6.813 1.00 0.00 H new ATOM 0 HG SER A 14 8.676 14.388 -5.799 1.00 0.00 H new ATOM 217 N ILE A 15 7.268 10.451 -6.040 1.00 0.00 N ATOM 218 CA ILE A 15 7.142 9.473 -4.968 1.00 0.00 C ATOM 219 C ILE A 15 7.582 8.091 -5.454 1.00 0.00 C ATOM 220 O ILE A 15 7.933 7.222 -4.659 1.00 0.00 O ATOM 221 CB ILE A 15 5.683 9.415 -4.450 1.00 0.00 C ATOM 222 CG1 ILE A 15 5.251 10.796 -3.951 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.523 8.373 -3.345 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.945 11.227 -2.678 1.00 0.00 C ATOM 0 H ILE A 15 6.394 10.907 -6.302 1.00 0.00 H new ATOM 0 HA ILE A 15 7.790 9.781 -4.147 1.00 0.00 H new ATOM 0 HB ILE A 15 5.040 9.117 -5.278 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.449 11.532 -4.730 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.174 10.792 -3.784 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.487 8.359 -3.005 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.791 7.389 -3.731 1.00 0.00 H new ATOM 0 HG23 ILE A 15 6.176 8.626 -2.509 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.588 12.215 -2.386 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.726 10.512 -1.884 1.00 0.00 H new ATOM 0 HD13 ILE A 15 7.021 11.265 -2.845 1.00 0.00 H new ATOM 236 N ARG A 16 7.575 7.906 -6.770 1.00 0.00 N ATOM 237 CA ARG A 16 7.981 6.640 -7.373 1.00 0.00 C ATOM 238 C ARG A 16 9.501 6.504 -7.425 1.00 0.00 C ATOM 239 O ARG A 16 10.069 5.555 -6.884 1.00 0.00 O ATOM 240 CB ARG A 16 7.420 6.530 -8.789 1.00 0.00 C ATOM 241 CG ARG A 16 7.702 5.190 -9.456 1.00 0.00 C ATOM 242 CD ARG A 16 7.547 5.276 -10.966 1.00 0.00 C ATOM 243 NE ARG A 16 6.408 4.490 -11.439 1.00 0.00 N ATOM 244 CZ ARG A 16 5.499 4.933 -12.308 1.00 0.00 C ATOM 245 NH1 ARG A 16 5.584 6.159 -12.812 1.00 0.00 N ATOM 246 NH2 ARG A 16 4.498 4.145 -12.674 1.00 0.00 N ATOM 0 H ARG A 16 7.292 8.619 -7.442 1.00 0.00 H new ATOM 0 HA ARG A 16 7.584 5.838 -6.750 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.342 6.690 -8.757 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.843 7.327 -9.401 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.713 4.866 -9.211 1.00 0.00 H new ATOM 0 HG3 ARG A 16 7.021 4.436 -9.062 1.00 0.00 H new ATOM 0 HD2 ARG A 16 7.417 6.318 -11.260 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.459 4.921 -11.446 1.00 0.00 H new ATOM 0 HE ARG A 16 6.302 3.541 -11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 16 6.351 6.772 -12.535 1.00 0.00 H new ATOM 0 HH12 ARG A 16 4.883 6.487 -13.476 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.425 3.202 -12.291 1.00 0.00 H new ATOM 0 HH22 ARG A 16 3.801 4.481 -13.339 1.00 0.00 H new ATOM 260 N TRP A 17 10.152 7.447 -8.099 1.00 0.00 N ATOM 261 CA TRP A 17 11.604 7.420 -8.247 1.00 0.00 C ATOM 262 C TRP A 17 12.313 7.200 -6.917 1.00 0.00 C ATOM 263 O TRP A 17 13.299 6.465 -6.845 1.00 0.00 O ATOM 264 CB TRP A 17 12.112 8.710 -8.888 1.00 0.00 C ATOM 265 CG TRP A 17 13.561 8.637 -9.247 1.00 0.00 C ATOM 266 CD1 TRP A 17 14.099 8.097 -10.378 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.661 9.103 -8.460 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.468 8.204 -10.346 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.838 8.818 -9.177 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.763 9.737 -7.219 1.00 0.00 C ATOM 271 CZ2 TRP A 17 17.101 9.143 -8.695 1.00 0.00 C ATOM 272 CZ3 TRP A 17 16.020 10.060 -6.740 1.00 0.00 C ATOM 273 CH2 TRP A 17 17.174 9.763 -7.477 1.00 0.00 C ATOM 0 H TRP A 17 9.697 8.240 -8.552 1.00 0.00 H new ATOM 0 HA TRP A 17 11.835 6.577 -8.898 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.529 8.921 -9.784 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.952 9.541 -8.201 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.532 7.651 -11.181 1.00 0.00 H new ATOM 0 HE1 TRP A 17 16.105 7.880 -11.073 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.878 9.970 -6.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.992 8.915 -9.261 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 16.113 10.549 -5.782 1.00 0.00 H new ATOM 0 HH2 TRP A 17 18.141 10.029 -7.076 1.00 0.00 H new ATOM 284 N VAL A 18 11.832 7.851 -5.871 1.00 0.00 N ATOM 285 CA VAL A 18 12.456 7.727 -4.561 1.00 0.00 C ATOM 286 C VAL A 18 12.282 6.334 -3.969 1.00 0.00 C ATOM 287 O VAL A 18 13.260 5.672 -3.621 1.00 0.00 O ATOM 288 CB VAL A 18 11.932 8.768 -3.545 1.00 0.00 C ATOM 289 CG1 VAL A 18 13.015 9.101 -2.532 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.450 10.036 -4.238 1.00 0.00 C ATOM 0 H VAL A 18 11.019 8.466 -5.900 1.00 0.00 H new ATOM 0 HA VAL A 18 13.515 7.914 -4.737 1.00 0.00 H new ATOM 0 HB VAL A 18 11.079 8.329 -3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.635 9.835 -1.821 1.00 0.00 H new ATOM 0 HG12 VAL A 18 13.305 8.196 -1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.883 9.511 -3.049 1.00 0.00 H new ATOM 0 HG21 VAL A 18 11.089 10.744 -3.492 1.00 0.00 H new ATOM 0 HG22 VAL A 18 12.275 10.483 -4.793 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.641 9.790 -4.926 1.00 0.00 H new ATOM 300 N LEU A 19 11.039 5.910 -3.818 1.00 0.00 N ATOM 301 CA LEU A 19 10.751 4.608 -3.217 1.00 0.00 C ATOM 302 C LEU A 19 11.152 3.443 -4.110 1.00 0.00 C ATOM 303 O LEU A 19 11.403 2.345 -3.619 1.00 0.00 O ATOM 304 CB LEU A 19 9.273 4.477 -2.828 1.00 0.00 C ATOM 305 CG LEU A 19 9.041 3.848 -1.456 1.00 0.00 C ATOM 306 CD1 LEU A 19 9.676 4.698 -0.370 1.00 0.00 C ATOM 307 CD2 LEU A 19 7.555 3.661 -1.196 1.00 0.00 C ATOM 0 H LEU A 19 10.214 6.440 -4.099 1.00 0.00 H new ATOM 0 HA LEU A 19 11.361 4.561 -2.315 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.815 5.466 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.762 3.877 -3.581 1.00 0.00 H new ATOM 0 HG LEU A 19 9.513 2.865 -1.442 1.00 0.00 H new ATOM 0 HD11 LEU A 19 9.502 4.236 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 19 10.749 4.775 -0.548 1.00 0.00 H new ATOM 0 HD13 LEU A 19 9.234 5.694 -0.383 1.00 0.00 H new ATOM 0 HD21 LEU A 19 7.411 3.212 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 19 7.055 4.629 -1.229 1.00 0.00 H new ATOM 0 HD23 LEU A 19 7.131 3.008 -1.959 1.00 0.00 H new ATOM 319 N GLU A 20 11.200 3.660 -5.409 1.00 0.00 N ATOM 320 CA GLU A 20 11.562 2.585 -6.321 1.00 0.00 C ATOM 321 C GLU A 20 13.018 2.169 -6.157 1.00 0.00 C ATOM 322 O GLU A 20 13.316 1.005 -5.892 1.00 0.00 O ATOM 323 CB GLU A 20 11.259 2.957 -7.775 1.00 0.00 C ATOM 324 CG GLU A 20 12.182 3.995 -8.386 1.00 0.00 C ATOM 325 CD GLU A 20 11.810 4.322 -9.819 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.621 4.171 -10.171 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.707 4.722 -10.589 1.00 0.00 O ATOM 0 H GLU A 20 10.997 4.555 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 20 10.944 1.726 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 20 11.305 2.052 -8.381 1.00 0.00 H new ATOM 0 HB3 GLU A 20 10.235 3.327 -7.832 1.00 0.00 H new ATOM 0 HG2 GLU A 20 12.149 4.905 -7.787 1.00 0.00 H new ATOM 0 HG3 GLU A 20 13.208 3.630 -8.354 1.00 0.00 H new ATOM 334 N ARG A 21 13.913 3.121 -6.327 1.00 0.00 N ATOM 335 CA ARG A 21 15.345 2.855 -6.212 1.00 0.00 C ATOM 336 C ARG A 21 15.715 2.295 -4.840 1.00 0.00 C ATOM 337 O ARG A 21 16.365 1.254 -4.745 1.00 0.00 O ATOM 338 CB ARG A 21 16.142 4.129 -6.495 1.00 0.00 C ATOM 339 CG ARG A 21 15.951 4.653 -7.909 1.00 0.00 C ATOM 340 CD ARG A 21 17.146 4.330 -8.792 1.00 0.00 C ATOM 341 NE ARG A 21 16.881 4.635 -10.197 1.00 0.00 N ATOM 342 CZ ARG A 21 17.151 3.809 -11.207 1.00 0.00 C ATOM 343 NH1 ARG A 21 17.708 2.624 -10.985 1.00 0.00 N ATOM 344 NH2 ARG A 21 16.863 4.172 -12.448 1.00 0.00 N ATOM 0 H ARG A 21 13.680 4.090 -6.546 1.00 0.00 H new ATOM 0 HA ARG A 21 15.598 2.097 -6.953 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.845 4.901 -5.785 1.00 0.00 H new ATOM 0 HB3 ARG A 21 17.201 3.932 -6.327 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.050 4.217 -8.341 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.800 5.732 -7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 21 18.012 4.899 -8.454 1.00 0.00 H new ATOM 0 HD3 ARG A 21 17.398 3.274 -8.690 1.00 0.00 H new ATOM 0 HE ARG A 21 16.462 5.538 -10.418 1.00 0.00 H new ATOM 0 HH11 ARG A 21 17.934 2.337 -10.033 1.00 0.00 H new ATOM 0 HH12 ARG A 21 17.910 2.001 -11.767 1.00 0.00 H new ATOM 0 HH21 ARG A 21 16.436 5.081 -12.627 1.00 0.00 H new ATOM 0 HH22 ARG A 21 17.068 3.543 -13.224 1.00 0.00 H new ATOM 358 N ALA A 22 15.316 2.989 -3.781 1.00 0.00 N ATOM 359 CA ALA A 22 15.629 2.551 -2.424 1.00 0.00 C ATOM 360 C ALA A 22 15.025 1.191 -2.112 1.00 0.00 C ATOM 361 O ALA A 22 15.623 0.384 -1.399 1.00 0.00 O ATOM 362 CB ALA A 22 15.164 3.588 -1.411 1.00 0.00 C ATOM 0 H ALA A 22 14.777 3.854 -3.834 1.00 0.00 H new ATOM 0 HA ALA A 22 16.712 2.449 -2.354 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.405 3.247 -0.404 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.668 4.535 -1.603 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.086 3.725 -1.500 1.00 0.00 H new ATOM 368 N LEU A 23 13.848 0.937 -2.647 1.00 0.00 N ATOM 369 CA LEU A 23 13.177 -0.334 -2.424 1.00 0.00 C ATOM 370 C LEU A 23 13.808 -1.428 -3.280 1.00 0.00 C ATOM 371 O LEU A 23 13.828 -2.607 -2.903 1.00 0.00 O ATOM 372 CB LEU A 23 11.681 -0.202 -2.717 1.00 0.00 C ATOM 373 CG LEU A 23 10.805 -1.333 -2.185 1.00 0.00 C ATOM 374 CD1 LEU A 23 10.793 -2.487 -3.168 1.00 0.00 C ATOM 375 CD2 LEU A 23 11.276 -1.793 -0.811 1.00 0.00 C ATOM 0 H LEU A 23 13.335 1.590 -3.239 1.00 0.00 H new ATOM 0 HA LEU A 23 13.296 -0.615 -1.378 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.327 0.738 -2.294 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.544 -0.137 -3.796 1.00 0.00 H new ATOM 0 HG LEU A 23 9.787 -0.958 -2.074 1.00 0.00 H new ATOM 0 HD11 LEU A 23 10.165 -3.289 -2.780 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.396 -2.146 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.809 -2.856 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.633 -2.599 -0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 23 12.303 -2.151 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 23 11.229 -0.958 -0.112 1.00 0.00 H new ATOM 387 N ALA A 24 14.352 -1.027 -4.420 1.00 0.00 N ATOM 388 CA ALA A 24 15.016 -1.962 -5.309 1.00 0.00 C ATOM 389 C ALA A 24 16.274 -2.493 -4.637 1.00 0.00 C ATOM 390 O ALA A 24 16.660 -3.645 -4.835 1.00 0.00 O ATOM 391 CB ALA A 24 15.350 -1.300 -6.639 1.00 0.00 C ATOM 0 H ALA A 24 14.345 -0.061 -4.748 1.00 0.00 H new ATOM 0 HA ALA A 24 14.344 -2.795 -5.515 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.847 -2.020 -7.289 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.432 -0.955 -7.115 1.00 0.00 H new ATOM 0 HB3 ALA A 24 16.010 -0.450 -6.467 1.00 0.00 H new ATOM 397 N GLY A 25 16.897 -1.647 -3.816 1.00 0.00 N ATOM 398 CA GLY A 25 18.087 -2.056 -3.101 1.00 0.00 C ATOM 399 C GLY A 25 17.782 -3.156 -2.104 1.00 0.00 C ATOM 400 O GLY A 25 18.660 -3.941 -1.742 1.00 0.00 O ATOM 0 H GLY A 25 16.596 -0.689 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.838 -2.404 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.513 -1.199 -2.580 1.00 0.00 H new ATOM 404 N ALA A 26 16.525 -3.215 -1.667 1.00 0.00 N ATOM 405 CA ALA A 26 16.089 -4.226 -0.719 1.00 0.00 C ATOM 406 C ALA A 26 15.871 -5.566 -1.415 1.00 0.00 C ATOM 407 O ALA A 26 15.781 -6.607 -0.766 1.00 0.00 O ATOM 408 CB ALA A 26 14.817 -3.776 -0.013 1.00 0.00 C ATOM 0 H ALA A 26 15.791 -2.569 -1.959 1.00 0.00 H new ATOM 0 HA ALA A 26 16.873 -4.357 0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.502 -4.544 0.694 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.008 -2.846 0.522 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.029 -3.616 -0.749 1.00 0.00 H new ATOM 414 N GLY A 27 15.802 -5.534 -2.745 1.00 0.00 N ATOM 415 CA GLY A 27 15.615 -6.752 -3.506 1.00 0.00 C ATOM 416 C GLY A 27 14.188 -6.966 -3.962 1.00 0.00 C ATOM 417 O GLY A 27 13.788 -8.100 -4.228 1.00 0.00 O ATOM 0 H GLY A 27 15.873 -4.685 -3.306 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.267 -6.729 -4.379 1.00 0.00 H new ATOM 0 HA3 GLY A 27 15.925 -7.602 -2.898 1.00 0.00 H new ATOM 421 N LEU A 28 13.408 -5.892 -4.063 1.00 0.00 N ATOM 422 CA LEU A 28 12.030 -6.018 -4.500 1.00 0.00 C ATOM 423 C LEU A 28 11.698 -5.015 -5.604 1.00 0.00 C ATOM 424 O LEU A 28 12.494 -4.128 -5.913 1.00 0.00 O ATOM 425 CB LEU A 28 11.074 -5.863 -3.317 1.00 0.00 C ATOM 426 CG LEU A 28 11.679 -6.183 -1.948 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.280 -4.941 -1.311 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.625 -6.789 -1.037 1.00 0.00 C ATOM 0 H LEU A 28 13.706 -4.940 -3.850 1.00 0.00 H new ATOM 0 HA LEU A 28 11.903 -7.017 -4.917 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.702 -4.839 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.213 -6.512 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 28 12.480 -6.908 -2.092 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.702 -5.198 -0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.066 -4.546 -1.955 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.504 -4.187 -1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.068 -7.012 -0.066 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.805 -6.082 -0.908 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.244 -7.708 -1.482 1.00 0.00 H new ATOM 440 N THR A 29 10.520 -5.178 -6.204 1.00 0.00 N ATOM 441 CA THR A 29 10.077 -4.305 -7.291 1.00 0.00 C ATOM 442 C THR A 29 9.166 -3.199 -6.774 1.00 0.00 C ATOM 443 O THR A 29 8.349 -3.421 -5.886 1.00 0.00 O ATOM 444 CB THR A 29 9.340 -5.122 -8.353 1.00 0.00 C ATOM 445 OG1 THR A 29 10.229 -6.001 -9.019 1.00 0.00 O ATOM 446 CG2 THR A 29 8.657 -4.274 -9.404 1.00 0.00 C ATOM 0 H THR A 29 9.853 -5.909 -5.955 1.00 0.00 H new ATOM 0 HA THR A 29 10.961 -3.844 -7.732 1.00 0.00 H new ATOM 0 HB THR A 29 8.575 -5.673 -7.806 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.737 -6.515 -9.693 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.155 -4.921 -10.124 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.923 -3.624 -8.927 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.400 -3.665 -9.920 1.00 0.00 H new ATOM 454 N CYS A 30 9.317 -2.007 -7.336 1.00 0.00 N ATOM 455 CA CYS A 30 8.511 -0.863 -6.930 1.00 0.00 C ATOM 456 C CYS A 30 7.839 -0.193 -8.121 1.00 0.00 C ATOM 457 O CYS A 30 8.505 0.325 -9.017 1.00 0.00 O ATOM 458 CB CYS A 30 9.386 0.148 -6.209 1.00 0.00 C ATOM 459 SG CYS A 30 8.586 0.953 -4.803 1.00 0.00 S ATOM 0 H CYS A 30 9.991 -1.807 -8.075 1.00 0.00 H new ATOM 0 HA CYS A 30 7.729 -1.227 -6.264 1.00 0.00 H new ATOM 0 HB2 CYS A 30 10.289 -0.353 -5.860 1.00 0.00 H new ATOM 0 HB3 CYS A 30 9.700 0.912 -6.920 1.00 0.00 H new ATOM 0 HG CYS A 30 9.438 1.072 -3.829 1.00 0.00 H new ATOM 465 N THR A 31 6.517 -0.170 -8.098 1.00 0.00 N ATOM 466 CA THR A 31 5.744 0.476 -9.141 1.00 0.00 C ATOM 467 C THR A 31 4.711 1.360 -8.462 1.00 0.00 C ATOM 468 O THR A 31 4.111 0.963 -7.462 1.00 0.00 O ATOM 469 CB THR A 31 5.091 -0.556 -10.070 1.00 0.00 C ATOM 470 OG1 THR A 31 4.760 0.035 -11.315 1.00 0.00 O ATOM 471 CG2 THR A 31 3.828 -1.161 -9.512 1.00 0.00 C ATOM 0 H THR A 31 5.954 -0.596 -7.361 1.00 0.00 H new ATOM 0 HA THR A 31 6.391 1.082 -9.775 1.00 0.00 H new ATOM 0 HB THR A 31 5.833 -1.347 -10.182 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.346 -0.637 -11.896 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.424 -1.881 -10.224 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.051 -1.666 -8.572 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.095 -0.374 -9.336 1.00 0.00 H new ATOM 479 N THR A 32 4.546 2.575 -8.953 1.00 0.00 N ATOM 480 CA THR A 32 3.631 3.506 -8.316 1.00 0.00 C ATOM 481 C THR A 32 2.367 3.764 -9.113 1.00 0.00 C ATOM 482 O THR A 32 2.264 3.435 -10.294 1.00 0.00 O ATOM 483 CB THR A 32 4.348 4.807 -8.009 1.00 0.00 C ATOM 484 OG1 THR A 32 4.974 5.323 -9.171 1.00 0.00 O ATOM 485 CG2 THR A 32 5.406 4.637 -6.938 1.00 0.00 C ATOM 0 H THR A 32 5.025 2.937 -9.778 1.00 0.00 H new ATOM 0 HA THR A 32 3.304 3.035 -7.389 1.00 0.00 H new ATOM 0 HB THR A 32 3.586 5.498 -7.649 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.290 5.637 -9.799 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.892 5.595 -6.752 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.940 4.282 -6.019 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.148 3.912 -7.272 1.00 0.00 H new ATOM 493 N PHE A 33 1.389 4.314 -8.406 1.00 0.00 N ATOM 494 CA PHE A 33 0.079 4.592 -8.957 1.00 0.00 C ATOM 495 C PHE A 33 -0.447 5.971 -8.514 1.00 0.00 C ATOM 496 O PHE A 33 0.196 6.662 -7.722 1.00 0.00 O ATOM 497 CB PHE A 33 -0.847 3.462 -8.540 1.00 0.00 C ATOM 498 CG PHE A 33 -0.375 2.116 -9.015 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.685 1.491 -8.378 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.989 1.469 -10.074 1.00 0.00 C ATOM 501 CE1 PHE A 33 1.128 0.253 -8.789 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.553 0.224 -10.490 1.00 0.00 C ATOM 503 CZ PHE A 33 0.508 -0.384 -9.849 1.00 0.00 C ATOM 0 H PHE A 33 1.488 4.580 -7.426 1.00 0.00 H new ATOM 0 HA PHE A 33 0.132 4.639 -10.045 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.931 3.450 -7.453 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.845 3.652 -8.935 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.171 1.981 -7.547 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.817 1.942 -10.581 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.958 -0.219 -8.285 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.042 -0.272 -11.315 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.853 -1.354 -10.174 1.00 0.00 H new ATOM 513 N GLU A 34 -1.595 6.379 -9.066 1.00 0.00 N ATOM 514 CA GLU A 34 -2.188 7.692 -8.777 1.00 0.00 C ATOM 515 C GLU A 34 -2.587 7.885 -7.306 1.00 0.00 C ATOM 516 O GLU A 34 -2.083 8.799 -6.651 1.00 0.00 O ATOM 517 CB GLU A 34 -3.411 7.912 -9.680 1.00 0.00 C ATOM 518 CG GLU A 34 -4.467 6.816 -9.583 1.00 0.00 C ATOM 519 CD GLU A 34 -5.640 7.191 -8.699 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.876 8.403 -8.503 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.324 6.269 -8.203 1.00 0.00 O ATOM 0 H GLU A 34 -2.137 5.815 -9.721 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.415 8.432 -8.982 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.870 8.867 -9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -3.076 7.987 -10.714 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.834 6.585 -10.583 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -4.004 5.908 -9.195 1.00 0.00 H new ATOM 528 N ASN A 35 -3.487 7.058 -6.783 1.00 0.00 N ATOM 529 CA ASN A 35 -3.914 7.205 -5.393 1.00 0.00 C ATOM 530 C ASN A 35 -4.437 5.901 -4.812 1.00 0.00 C ATOM 531 O ASN A 35 -4.279 5.638 -3.619 1.00 0.00 O ATOM 532 CB ASN A 35 -4.986 8.286 -5.268 1.00 0.00 C ATOM 533 CG ASN A 35 -5.260 8.653 -3.823 1.00 0.00 C ATOM 534 OD1 ASN A 35 -5.938 7.763 -3.106 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -4.863 9.719 -3.355 1.00 0.00 N flip ATOM 0 H ASN A 35 -3.929 6.291 -7.289 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.032 7.498 -4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.669 9.175 -5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.908 7.938 -5.734 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.346 10.373 -3.943 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.051 9.949 -2.379 1.00 0.00 H new ATOM 542 N GLY A 36 -5.052 5.086 -5.653 1.00 0.00 N ATOM 543 CA GLY A 36 -5.574 3.821 -5.187 1.00 0.00 C ATOM 544 C GLY A 36 -6.230 2.999 -6.279 1.00 0.00 C ATOM 545 O GLY A 36 -5.747 1.919 -6.621 1.00 0.00 O ATOM 0 H GLY A 36 -5.198 5.276 -6.644 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.763 3.243 -4.745 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.301 4.006 -4.396 1.00 0.00 H new ATOM 549 N ASN A 37 -7.338 3.499 -6.817 1.00 0.00 N ATOM 550 CA ASN A 37 -8.071 2.790 -7.863 1.00 0.00 C ATOM 551 C ASN A 37 -7.133 2.300 -8.958 1.00 0.00 C ATOM 552 O ASN A 37 -7.407 1.300 -9.623 1.00 0.00 O ATOM 553 CB ASN A 37 -9.162 3.686 -8.450 1.00 0.00 C ATOM 554 CG ASN A 37 -10.378 3.767 -7.546 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.937 2.611 -7.195 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -10.808 4.856 -7.166 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.749 4.393 -6.547 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.542 1.917 -7.412 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.762 4.687 -8.610 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -9.460 3.302 -9.426 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -10.347 5.717 -7.460 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -11.625 4.897 -6.557 1.00 0.00 H new ATOM 563 N GLU A 38 -6.021 3.003 -9.137 1.00 0.00 N ATOM 564 CA GLU A 38 -5.044 2.625 -10.147 1.00 0.00 C ATOM 565 C GLU A 38 -4.554 1.198 -9.928 1.00 0.00 C ATOM 566 O GLU A 38 -4.727 0.342 -10.796 1.00 0.00 O ATOM 567 CB GLU A 38 -3.862 3.584 -10.141 1.00 0.00 C ATOM 568 CG GLU A 38 -3.594 4.231 -11.493 1.00 0.00 C ATOM 569 CD GLU A 38 -2.225 3.885 -12.049 1.00 0.00 C ATOM 570 OE1 GLU A 38 -2.084 2.799 -12.648 1.00 0.00 O ATOM 571 OE2 GLU A 38 -1.294 4.703 -11.886 1.00 0.00 O ATOM 0 H GLU A 38 -5.775 3.834 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.536 2.678 -11.118 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.043 4.366 -9.403 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.970 3.045 -9.822 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -4.360 3.913 -12.201 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.679 5.313 -11.396 1.00 0.00 H new ATOM 578 N VAL A 39 -3.938 0.932 -8.771 1.00 0.00 N ATOM 579 CA VAL A 39 -3.444 -0.416 -8.496 1.00 0.00 C ATOM 580 C VAL A 39 -4.530 -1.452 -8.741 1.00 0.00 C ATOM 581 O VAL A 39 -4.296 -2.477 -9.369 1.00 0.00 O ATOM 582 CB VAL A 39 -2.943 -0.565 -7.050 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.446 -1.977 -6.805 1.00 0.00 C ATOM 584 CG2 VAL A 39 -1.853 0.444 -6.757 1.00 0.00 C ATOM 0 H VAL A 39 -3.774 1.613 -8.030 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.609 -0.582 -9.176 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.776 -0.372 -6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -2.095 -2.066 -5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -3.259 -2.683 -6.973 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.626 -2.198 -7.489 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.512 0.323 -5.729 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.017 0.285 -7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.244 1.452 -6.893 1.00 0.00 H new ATOM 594 N LEU A 40 -5.719 -1.166 -8.237 1.00 0.00 N ATOM 595 CA LEU A 40 -6.863 -2.061 -8.388 1.00 0.00 C ATOM 596 C LEU A 40 -6.993 -2.555 -9.823 1.00 0.00 C ATOM 597 O LEU A 40 -7.271 -3.730 -10.068 1.00 0.00 O ATOM 598 CB LEU A 40 -8.136 -1.333 -7.967 1.00 0.00 C ATOM 599 CG LEU A 40 -8.005 -0.496 -6.691 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.372 -0.058 -6.196 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.267 -1.279 -5.610 1.00 0.00 C ATOM 0 H LEU A 40 -5.922 -0.314 -7.714 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.708 -2.930 -7.749 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.451 -0.681 -8.782 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.928 -2.068 -7.823 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.424 0.396 -6.924 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.258 0.535 -5.289 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.861 0.542 -6.963 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.980 -0.937 -5.980 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.184 -0.668 -4.711 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.819 -2.190 -5.380 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.270 -1.539 -5.966 1.00 0.00 H new ATOM 613 N ALA A 41 -6.783 -1.650 -10.768 1.00 0.00 N ATOM 614 CA ALA A 41 -6.868 -1.987 -12.181 1.00 0.00 C ATOM 615 C ALA A 41 -5.737 -2.918 -12.586 1.00 0.00 C ATOM 616 O ALA A 41 -5.954 -3.934 -13.247 1.00 0.00 O ATOM 617 CB ALA A 41 -6.842 -0.720 -13.021 1.00 0.00 C ATOM 0 H ALA A 41 -6.552 -0.674 -10.581 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.810 -2.507 -12.356 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.906 -0.982 -14.077 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.688 -0.088 -12.752 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -5.913 -0.180 -12.837 1.00 0.00 H new ATOM 623 N ALA A 42 -4.530 -2.555 -12.182 1.00 0.00 N ATOM 624 CA ALA A 42 -3.340 -3.340 -12.492 1.00 0.00 C ATOM 625 C ALA A 42 -3.315 -4.645 -11.702 1.00 0.00 C ATOM 626 O ALA A 42 -2.789 -5.654 -12.168 1.00 0.00 O ATOM 627 CB ALA A 42 -2.082 -2.525 -12.214 1.00 0.00 C ATOM 0 H ALA A 42 -4.345 -1.715 -11.634 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.370 -3.592 -13.552 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.202 -3.123 -12.450 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.087 -1.627 -12.832 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -2.057 -2.242 -11.162 1.00 0.00 H new ATOM 633 N LEU A 43 -3.885 -4.616 -10.502 1.00 0.00 N ATOM 634 CA LEU A 43 -3.927 -5.794 -9.648 1.00 0.00 C ATOM 635 C LEU A 43 -4.701 -6.924 -10.313 1.00 0.00 C ATOM 636 O LEU A 43 -4.444 -8.101 -10.066 1.00 0.00 O ATOM 637 CB LEU A 43 -4.566 -5.460 -8.299 1.00 0.00 C ATOM 638 CG LEU A 43 -3.599 -5.025 -7.207 1.00 0.00 C ATOM 639 CD1 LEU A 43 -4.361 -4.481 -6.008 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.732 -6.198 -6.794 1.00 0.00 C ATOM 0 H LEU A 43 -4.324 -3.788 -10.100 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.900 -6.121 -9.486 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.298 -4.666 -8.450 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -5.113 -6.335 -7.949 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.961 -4.231 -7.595 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.655 -4.175 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.958 -3.622 -6.315 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.017 -5.256 -5.612 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.041 -5.882 -6.012 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.364 -7.002 -6.417 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.167 -6.554 -7.655 1.00 0.00 H new ATOM 652 N ALA A 44 -5.655 -6.552 -11.153 1.00 0.00 N ATOM 653 CA ALA A 44 -6.482 -7.521 -11.858 1.00 0.00 C ATOM 654 C ALA A 44 -5.634 -8.478 -12.692 1.00 0.00 C ATOM 655 O ALA A 44 -6.088 -9.562 -13.061 1.00 0.00 O ATOM 656 CB ALA A 44 -7.495 -6.802 -12.740 1.00 0.00 C ATOM 0 H ALA A 44 -5.877 -5.579 -11.364 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.014 -8.114 -11.114 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.108 -7.536 -13.263 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.133 -6.171 -12.121 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.970 -6.184 -13.468 1.00 0.00 H new ATOM 662 N SER A 45 -4.403 -8.070 -12.992 1.00 0.00 N ATOM 663 CA SER A 45 -3.500 -8.887 -13.785 1.00 0.00 C ATOM 664 C SER A 45 -2.233 -9.255 -13.008 1.00 0.00 C ATOM 665 O SER A 45 -1.433 -10.070 -13.470 1.00 0.00 O ATOM 666 CB SER A 45 -3.128 -8.163 -15.079 1.00 0.00 C ATOM 667 OG SER A 45 -4.084 -8.409 -16.096 1.00 0.00 O ATOM 0 H SER A 45 -4.011 -7.176 -12.695 1.00 0.00 H new ATOM 0 HA SER A 45 -4.023 -9.813 -14.026 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.059 -7.091 -14.892 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.144 -8.492 -15.413 1.00 0.00 H new ATOM 0 HG SER A 45 -3.823 -7.933 -16.912 1.00 0.00 H new ATOM 673 N LYS A 46 -2.050 -8.658 -11.832 1.00 0.00 N ATOM 674 CA LYS A 46 -0.880 -8.934 -11.008 1.00 0.00 C ATOM 675 C LYS A 46 -1.159 -8.623 -9.542 1.00 0.00 C ATOM 676 O LYS A 46 -2.057 -7.850 -9.224 1.00 0.00 O ATOM 677 CB LYS A 46 0.320 -8.118 -11.496 1.00 0.00 C ATOM 678 CG LYS A 46 1.595 -8.937 -11.647 1.00 0.00 C ATOM 679 CD LYS A 46 2.778 -8.265 -10.963 1.00 0.00 C ATOM 680 CE LYS A 46 3.964 -8.123 -11.902 1.00 0.00 C ATOM 681 NZ LYS A 46 4.716 -9.400 -12.045 1.00 0.00 N ATOM 0 H LYS A 46 -2.698 -7.980 -11.430 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.649 -9.995 -11.097 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.074 -7.665 -12.456 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.503 -7.303 -10.796 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.443 -9.929 -11.221 1.00 0.00 H new ATOM 0 HG3 LYS A 46 1.816 -9.075 -12.705 1.00 0.00 H new ATOM 0 HD2 LYS A 46 2.479 -7.281 -10.603 1.00 0.00 H new ATOM 0 HD3 LYS A 46 3.073 -8.848 -10.090 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.614 -7.796 -12.881 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.633 -7.348 -11.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.517 -9.260 -12.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 5.072 -9.699 -11.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.085 -10.133 -12.427 1.00 0.00 H new ATOM 695 N THR A 47 -0.384 -9.230 -8.650 1.00 0.00 N ATOM 696 CA THR A 47 -0.553 -9.012 -7.224 1.00 0.00 C ATOM 697 C THR A 47 0.797 -8.881 -6.519 1.00 0.00 C ATOM 698 O THR A 47 1.546 -9.855 -6.428 1.00 0.00 O ATOM 699 CB THR A 47 -1.352 -10.164 -6.605 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.658 -10.222 -7.152 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.489 -10.067 -5.100 1.00 0.00 C ATOM 0 H THR A 47 0.367 -9.876 -8.893 1.00 0.00 H new ATOM 0 HA THR A 47 -1.100 -8.079 -7.091 1.00 0.00 H new ATOM 0 HB THR A 47 -0.783 -11.063 -6.842 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.151 -10.965 -6.745 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.066 -10.915 -4.732 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.499 -10.076 -4.643 1.00 0.00 H new ATOM 0 HG23 THR A 47 -2.001 -9.140 -4.840 1.00 0.00 H new ATOM 709 N PRO A 48 1.129 -7.686 -5.988 1.00 0.00 N ATOM 710 CA PRO A 48 2.391 -7.480 -5.279 1.00 0.00 C ATOM 711 C PRO A 48 2.341 -8.067 -3.873 1.00 0.00 C ATOM 712 O PRO A 48 1.262 -8.335 -3.345 1.00 0.00 O ATOM 713 CB PRO A 48 2.515 -5.960 -5.220 1.00 0.00 C ATOM 714 CG PRO A 48 1.109 -5.469 -5.207 1.00 0.00 C ATOM 715 CD PRO A 48 0.308 -6.456 -6.016 1.00 0.00 C ATOM 0 HA PRO A 48 3.233 -7.966 -5.771 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.055 -5.641 -4.329 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.062 -5.573 -6.080 1.00 0.00 H new ATOM 0 HG2 PRO A 48 0.730 -5.404 -4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.042 -4.469 -5.637 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.677 -6.623 -5.581 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.151 -6.103 -7.035 1.00 0.00 H new ATOM 723 N ASP A 49 3.505 -8.269 -3.269 1.00 0.00 N ATOM 724 CA ASP A 49 3.571 -8.829 -1.923 1.00 0.00 C ATOM 725 C ASP A 49 3.144 -7.801 -0.885 1.00 0.00 C ATOM 726 O ASP A 49 2.774 -8.150 0.232 1.00 0.00 O ATOM 727 CB ASP A 49 4.991 -9.302 -1.608 1.00 0.00 C ATOM 728 CG ASP A 49 5.465 -10.394 -2.543 1.00 0.00 C ATOM 729 OD1 ASP A 49 5.368 -10.205 -3.775 1.00 0.00 O ATOM 730 OD2 ASP A 49 5.936 -11.435 -2.043 1.00 0.00 O ATOM 0 H ASP A 49 4.411 -8.055 -3.685 1.00 0.00 H new ATOM 0 HA ASP A 49 2.889 -9.678 -1.884 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.674 -8.455 -1.670 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.029 -9.667 -0.582 1.00 0.00 H new ATOM 735 N VAL A 50 3.211 -6.531 -1.257 1.00 0.00 N ATOM 736 CA VAL A 50 2.844 -5.450 -0.359 1.00 0.00 C ATOM 737 C VAL A 50 2.272 -4.282 -1.161 1.00 0.00 C ATOM 738 O VAL A 50 2.432 -4.233 -2.381 1.00 0.00 O ATOM 739 CB VAL A 50 4.069 -5.006 0.462 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.228 -4.672 -0.458 1.00 0.00 C ATOM 741 CG2 VAL A 50 3.739 -3.835 1.369 1.00 0.00 C ATOM 0 H VAL A 50 3.518 -6.225 -2.180 1.00 0.00 H new ATOM 0 HA VAL A 50 2.079 -5.800 0.334 1.00 0.00 H new ATOM 0 HB VAL A 50 4.363 -5.838 1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.086 -4.360 0.137 1.00 0.00 H new ATOM 0 HG12 VAL A 50 5.493 -5.552 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.938 -3.863 -1.129 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.627 -3.550 1.932 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.405 -2.991 0.766 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.947 -4.123 2.061 1.00 0.00 H new ATOM 751 N LEU A 51 1.585 -3.355 -0.495 1.00 0.00 N ATOM 752 CA LEU A 51 0.987 -2.223 -1.199 1.00 0.00 C ATOM 753 C LEU A 51 0.843 -0.996 -0.305 1.00 0.00 C ATOM 754 O LEU A 51 0.761 -1.102 0.918 1.00 0.00 O ATOM 755 CB LEU A 51 -0.378 -2.626 -1.767 1.00 0.00 C ATOM 756 CG LEU A 51 -1.074 -1.563 -2.622 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.406 -1.445 -3.983 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.550 -1.893 -2.782 1.00 0.00 C ATOM 0 H LEU A 51 1.431 -3.364 0.513 1.00 0.00 H new ATOM 0 HA LEU A 51 1.659 -1.951 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.251 -3.526 -2.369 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.035 -2.888 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.986 -0.603 -2.113 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.916 -0.684 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.639 -1.163 -3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.461 -2.403 -4.500 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.030 -1.128 -3.392 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.655 -2.863 -3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.024 -1.925 -1.801 1.00 0.00 H new ATOM 770 N LEU A 52 0.829 0.175 -0.942 1.00 0.00 N ATOM 771 CA LEU A 52 0.716 1.449 -0.237 1.00 0.00 C ATOM 772 C LEU A 52 -0.250 2.389 -0.975 1.00 0.00 C ATOM 773 O LEU A 52 -0.034 2.688 -2.140 1.00 0.00 O ATOM 774 CB LEU A 52 2.101 2.096 -0.155 1.00 0.00 C ATOM 775 CG LEU A 52 3.082 1.459 0.833 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.510 1.474 0.286 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.026 2.183 2.165 1.00 0.00 C ATOM 0 H LEU A 52 0.895 0.266 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 52 0.326 1.270 0.765 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.550 2.073 -1.148 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.975 3.145 0.114 1.00 0.00 H new ATOM 0 HG LEU A 52 2.787 0.420 0.977 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.182 1.015 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.547 0.915 -0.649 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.820 2.503 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.728 1.721 2.860 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.293 3.230 2.022 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.017 2.118 2.572 1.00 0.00 H new ATOM 789 N SER A 53 -1.316 2.850 -0.301 1.00 0.00 N ATOM 790 CA SER A 53 -2.298 3.747 -0.938 1.00 0.00 C ATOM 791 C SER A 53 -2.174 5.195 -0.439 1.00 0.00 C ATOM 792 O SER A 53 -1.860 5.441 0.725 1.00 0.00 O ATOM 793 CB SER A 53 -3.720 3.229 -0.710 1.00 0.00 C ATOM 794 OG SER A 53 -4.133 2.394 -1.780 1.00 0.00 O ATOM 0 H SER A 53 -1.520 2.621 0.672 1.00 0.00 H new ATOM 0 HA SER A 53 -2.083 3.752 -2.007 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.763 2.674 0.227 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.407 4.070 -0.614 1.00 0.00 H new ATOM 0 HG SER A 53 -4.878 1.829 -1.486 1.00 0.00 H new ATOM 800 N ASP A 54 -2.413 6.150 -1.347 1.00 0.00 N ATOM 801 CA ASP A 54 -2.312 7.577 -1.026 1.00 0.00 C ATOM 802 C ASP A 54 -3.530 8.106 -0.284 1.00 0.00 C ATOM 803 O ASP A 54 -3.501 9.224 0.229 1.00 0.00 O ATOM 804 CB ASP A 54 -2.116 8.398 -2.300 1.00 0.00 C ATOM 805 CG ASP A 54 -1.837 9.859 -2.004 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.397 10.157 -0.871 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.052 10.701 -2.902 1.00 0.00 O ATOM 0 H ASP A 54 -2.679 5.958 -2.313 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.449 7.680 -0.368 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.289 7.981 -2.875 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -3.008 8.319 -2.922 1.00 0.00 H new ATOM 812 N ILE A 55 -4.597 7.316 -0.235 1.00 0.00 N ATOM 813 CA ILE A 55 -5.831 7.721 0.438 1.00 0.00 C ATOM 814 C ILE A 55 -6.308 9.098 -0.039 1.00 0.00 C ATOM 815 O ILE A 55 -5.529 9.922 -0.517 1.00 0.00 O ATOM 816 CB ILE A 55 -5.707 7.698 1.993 1.00 0.00 C ATOM 817 CG1 ILE A 55 -6.701 8.665 2.642 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.300 8.006 2.464 1.00 0.00 C ATOM 819 CD1 ILE A 55 -6.767 8.539 4.146 1.00 0.00 C ATOM 0 H ILE A 55 -4.634 6.387 -0.655 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.580 6.979 0.162 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.946 6.682 2.306 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.424 9.687 2.382 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.693 8.488 2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.267 7.978 3.553 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.611 7.264 2.060 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.009 8.998 2.118 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.490 9.253 4.540 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.073 7.528 4.413 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -5.785 8.745 4.572 1.00 0.00 H new ATOM 831 N ARG A 56 -7.610 9.317 0.087 1.00 0.00 N ATOM 832 CA ARG A 56 -8.252 10.562 -0.327 1.00 0.00 C ATOM 833 C ARG A 56 -8.583 10.531 -1.818 1.00 0.00 C ATOM 834 O ARG A 56 -7.937 11.204 -2.620 1.00 0.00 O ATOM 835 CB ARG A 56 -7.374 11.778 0.004 1.00 0.00 C ATOM 836 CG ARG A 56 -8.162 12.961 0.549 1.00 0.00 C ATOM 837 CD ARG A 56 -7.278 14.180 0.750 1.00 0.00 C ATOM 838 NE ARG A 56 -7.746 15.026 1.848 1.00 0.00 N ATOM 839 CZ ARG A 56 -7.493 16.330 1.937 1.00 0.00 C ATOM 840 NH1 ARG A 56 -6.768 16.938 1.006 1.00 0.00 N ATOM 841 NH2 ARG A 56 -7.964 17.031 2.961 1.00 0.00 N ATOM 0 H ARG A 56 -8.256 8.633 0.481 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.183 10.657 0.232 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.621 11.485 0.735 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.842 12.088 -0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -8.971 13.207 -0.139 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -8.623 12.685 1.497 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.257 13.857 0.952 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.252 14.763 -0.170 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.298 14.592 2.588 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.401 16.406 0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.578 17.937 1.080 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -8.521 16.571 3.681 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -7.769 18.030 3.028 1.00 0.00 H new ATOM 855 N MET A 57 -9.600 9.746 -2.183 1.00 0.00 N ATOM 856 CA MET A 57 -10.023 9.635 -3.580 1.00 0.00 C ATOM 857 C MET A 57 -11.437 9.042 -3.686 1.00 0.00 C ATOM 858 O MET A 57 -12.372 9.730 -4.100 1.00 0.00 O ATOM 859 CB MET A 57 -9.025 8.788 -4.383 1.00 0.00 C ATOM 860 CG MET A 57 -8.399 9.528 -5.554 1.00 0.00 C ATOM 861 SD MET A 57 -9.562 9.796 -6.906 1.00 0.00 S ATOM 862 CE MET A 57 -8.459 10.364 -8.197 1.00 0.00 C ATOM 0 H MET A 57 -10.144 9.180 -1.532 1.00 0.00 H new ATOM 0 HA MET A 57 -10.045 10.640 -4.003 1.00 0.00 H new ATOM 0 HB2 MET A 57 -8.234 8.445 -3.716 1.00 0.00 H new ATOM 0 HB3 MET A 57 -9.534 7.899 -4.756 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.019 10.490 -5.210 1.00 0.00 H new ATOM 0 HG3 MET A 57 -7.544 8.961 -5.922 1.00 0.00 H new ATOM 0 HE1 MET A 57 -8.967 11.111 -8.807 1.00 0.00 H new ATOM 0 HE2 MET A 57 -7.570 10.806 -7.747 1.00 0.00 H new ATOM 0 HE3 MET A 57 -8.168 9.521 -8.824 1.00 0.00 H new ATOM 872 N PRO A 58 -11.613 7.757 -3.316 1.00 0.00 N ATOM 873 CA PRO A 58 -12.919 7.072 -3.374 1.00 0.00 C ATOM 874 C PRO A 58 -13.943 7.650 -2.392 1.00 0.00 C ATOM 875 O PRO A 58 -13.799 8.779 -1.925 1.00 0.00 O ATOM 876 CB PRO A 58 -12.571 5.627 -2.994 1.00 0.00 C ATOM 877 CG PRO A 58 -11.330 5.747 -2.184 1.00 0.00 C ATOM 878 CD PRO A 58 -10.554 6.861 -2.820 1.00 0.00 C ATOM 0 HA PRO A 58 -13.387 7.178 -4.353 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -13.375 5.162 -2.423 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -12.410 5.011 -3.879 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -11.559 5.971 -1.142 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.762 4.816 -2.192 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.904 7.362 -2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.918 6.500 -3.629 1.00 0.00 H new ATOM 886 N GLY A 59 -14.980 6.863 -2.088 1.00 0.00 N ATOM 887 CA GLY A 59 -16.021 7.309 -1.170 1.00 0.00 C ATOM 888 C GLY A 59 -15.670 7.088 0.296 1.00 0.00 C ATOM 889 O GLY A 59 -16.534 7.193 1.166 1.00 0.00 O ATOM 0 H GLY A 59 -15.116 5.924 -2.462 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -16.210 8.370 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.947 6.781 -1.398 1.00 0.00 H new ATOM 893 N MET A 60 -14.406 6.794 0.568 1.00 0.00 N ATOM 894 CA MET A 60 -13.938 6.568 1.931 1.00 0.00 C ATOM 895 C MET A 60 -12.467 6.940 2.011 1.00 0.00 C ATOM 896 O MET A 60 -11.640 6.191 2.530 1.00 0.00 O ATOM 897 CB MET A 60 -14.144 5.104 2.338 1.00 0.00 C ATOM 898 CG MET A 60 -15.052 4.924 3.546 1.00 0.00 C ATOM 899 SD MET A 60 -16.568 4.027 3.154 1.00 0.00 S ATOM 900 CE MET A 60 -15.907 2.542 2.401 1.00 0.00 C ATOM 0 H MET A 60 -13.680 6.706 -0.143 1.00 0.00 H new ATOM 0 HA MET A 60 -14.511 7.188 2.620 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.565 4.558 1.494 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.174 4.657 2.555 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.510 4.389 4.326 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.309 5.903 3.951 1.00 0.00 H new ATOM 0 HE1 MET A 60 -16.575 1.704 2.601 1.00 0.00 H new ATOM 0 HE2 MET A 60 -15.820 2.688 1.324 1.00 0.00 H new ATOM 0 HE3 MET A 60 -14.923 2.329 2.819 1.00 0.00 H new ATOM 910 N ASP A 61 -12.164 8.115 1.466 1.00 0.00 N ATOM 911 CA ASP A 61 -10.813 8.649 1.415 1.00 0.00 C ATOM 912 C ASP A 61 -9.809 7.593 0.960 1.00 0.00 C ATOM 913 O ASP A 61 -9.497 7.512 -0.224 1.00 0.00 O ATOM 914 CB ASP A 61 -10.397 9.288 2.749 1.00 0.00 C ATOM 915 CG ASP A 61 -10.870 8.529 3.975 1.00 0.00 C ATOM 916 OD1 ASP A 61 -12.097 8.372 4.147 1.00 0.00 O ATOM 917 OD2 ASP A 61 -10.008 8.106 4.774 1.00 0.00 O ATOM 0 H ASP A 61 -12.861 8.728 1.043 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.812 9.443 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.310 9.364 2.779 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.789 10.304 2.791 1.00 0.00 H new ATOM 922 N GLY A 62 -9.293 6.794 1.881 1.00 0.00 N ATOM 923 CA GLY A 62 -8.325 5.780 1.499 1.00 0.00 C ATOM 924 C GLY A 62 -8.737 4.390 1.913 1.00 0.00 C ATOM 925 O GLY A 62 -8.389 3.408 1.257 1.00 0.00 O ATOM 0 H GLY A 62 -9.521 6.826 2.875 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.187 5.806 0.418 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.361 6.017 1.949 1.00 0.00 H new ATOM 929 N LEU A 63 -9.469 4.301 3.008 1.00 0.00 N ATOM 930 CA LEU A 63 -9.915 3.016 3.505 1.00 0.00 C ATOM 931 C LEU A 63 -10.854 2.343 2.510 1.00 0.00 C ATOM 932 O LEU A 63 -11.038 1.125 2.542 1.00 0.00 O ATOM 933 CB LEU A 63 -10.574 3.150 4.877 1.00 0.00 C ATOM 934 CG LEU A 63 -10.029 4.267 5.770 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.826 5.549 5.587 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.017 3.821 7.224 1.00 0.00 C ATOM 0 H LEU A 63 -9.766 5.101 3.567 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.036 2.382 3.621 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.642 3.314 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.466 2.203 5.405 1.00 0.00 H new ATOM 0 HG LEU A 63 -9.002 4.479 5.473 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -10.418 6.326 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.763 5.871 4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.869 5.370 5.849 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.627 4.625 7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.032 3.577 7.538 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.383 2.940 7.329 1.00 0.00 H new ATOM 948 N ALA A 64 -11.424 3.133 1.605 1.00 0.00 N ATOM 949 CA ALA A 64 -12.307 2.595 0.586 1.00 0.00 C ATOM 950 C ALA A 64 -11.516 1.683 -0.342 1.00 0.00 C ATOM 951 O ALA A 64 -12.029 0.679 -0.836 1.00 0.00 O ATOM 952 CB ALA A 64 -12.959 3.718 -0.207 1.00 0.00 C ATOM 0 H ALA A 64 -11.289 4.143 1.560 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.096 2.020 1.070 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.617 3.294 -0.965 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.540 4.349 0.466 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -12.188 4.318 -0.690 1.00 0.00 H new ATOM 958 N LEU A 65 -10.253 2.047 -0.564 1.00 0.00 N ATOM 959 CA LEU A 65 -9.364 1.274 -1.420 1.00 0.00 C ATOM 960 C LEU A 65 -9.251 -0.155 -0.912 1.00 0.00 C ATOM 961 O LEU A 65 -9.346 -1.111 -1.681 1.00 0.00 O ATOM 962 CB LEU A 65 -7.980 1.927 -1.470 1.00 0.00 C ATOM 963 CG LEU A 65 -7.523 2.355 -2.863 1.00 0.00 C ATOM 964 CD1 LEU A 65 -7.518 1.163 -3.805 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.423 3.459 -3.400 1.00 0.00 C ATOM 0 H LEU A 65 -9.824 2.879 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.780 1.254 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.983 2.802 -0.819 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.249 1.229 -1.062 1.00 0.00 H new ATOM 0 HG LEU A 65 -6.507 2.744 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.190 1.482 -4.794 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.836 0.402 -3.425 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.524 0.748 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.085 3.753 -4.393 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.449 3.096 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.381 4.320 -2.733 1.00 0.00 H new ATOM 977 N LEU A 66 -9.069 -0.292 0.396 1.00 0.00 N ATOM 978 CA LEU A 66 -8.967 -1.603 1.018 1.00 0.00 C ATOM 979 C LEU A 66 -10.182 -2.443 0.639 1.00 0.00 C ATOM 980 O LEU A 66 -10.057 -3.601 0.236 1.00 0.00 O ATOM 981 CB LEU A 66 -8.868 -1.452 2.537 1.00 0.00 C ATOM 982 CG LEU A 66 -7.795 -0.471 3.023 1.00 0.00 C ATOM 983 CD1 LEU A 66 -8.219 0.171 4.333 1.00 0.00 C ATOM 984 CD2 LEU A 66 -6.450 -1.169 3.176 1.00 0.00 C ATOM 0 H LEU A 66 -8.989 0.490 1.045 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.068 -2.106 0.663 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.836 -1.126 2.918 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -8.667 -2.431 2.972 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.684 0.313 2.274 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -7.447 0.865 4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -9.154 0.712 4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -8.361 -0.602 5.088 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.705 -0.452 3.522 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.540 -1.977 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.141 -1.578 2.214 1.00 0.00 H new ATOM 996 N LYS A 67 -11.356 -1.832 0.759 1.00 0.00 N ATOM 997 CA LYS A 67 -12.616 -2.493 0.418 1.00 0.00 C ATOM 998 C LYS A 67 -12.566 -3.094 -0.988 1.00 0.00 C ATOM 999 O LYS A 67 -13.006 -4.219 -1.204 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.777 -1.503 0.511 1.00 0.00 C ATOM 1001 CG LYS A 67 -15.146 -2.163 0.471 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.242 -1.150 0.179 1.00 0.00 C ATOM 1003 CE LYS A 67 -17.127 -1.593 -0.974 1.00 0.00 C ATOM 1004 NZ LYS A 67 -18.143 -0.562 -1.316 1.00 0.00 N ATOM 0 H LYS A 67 -11.464 -0.874 1.092 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.770 -3.301 1.133 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.685 -0.934 1.436 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.702 -0.791 -0.311 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.154 -2.941 -0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.344 -2.651 1.425 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.852 -1.007 1.071 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -15.792 -0.186 -0.058 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -16.509 -1.799 -1.848 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -17.628 -2.524 -0.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.728 -0.900 -2.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -18.748 -0.383 -0.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.664 0.319 -1.591 1.00 0.00 H new ATOM 1018 N GLN A 68 -12.032 -2.343 -1.945 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.935 -2.829 -3.317 1.00 0.00 C ATOM 1020 C GLN A 68 -10.977 -4.010 -3.392 1.00 0.00 C ATOM 1021 O GLN A 68 -11.204 -4.967 -4.131 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.442 -1.722 -4.252 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.190 -0.406 -4.116 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.645 -0.520 -4.525 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -14.455 -1.120 -3.820 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -13.983 0.058 -5.672 1.00 0.00 N ATOM 0 H GLN A 68 -11.663 -1.404 -1.799 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.930 -3.145 -3.632 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.384 -1.546 -4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.526 -2.069 -5.282 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.132 -0.064 -3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.702 0.351 -4.730 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -13.278 0.545 -6.225 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -14.948 0.015 -6.000 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.899 -3.920 -2.626 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.880 -4.959 -2.593 1.00 0.00 C ATOM 1037 C ILE A 69 -9.439 -6.289 -2.098 1.00 0.00 C ATOM 1038 O ILE A 69 -9.115 -7.351 -2.631 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.701 -4.531 -1.694 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -7.065 -3.239 -2.222 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.663 -5.638 -1.584 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.337 -3.403 -3.540 1.00 0.00 C ATOM 0 H ILE A 69 -9.707 -3.128 -2.012 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.530 -5.097 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 69 -8.091 -4.341 -0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -7.843 -2.485 -2.340 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -6.365 -2.860 -1.477 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.845 -5.307 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.124 -6.527 -1.153 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -6.276 -5.874 -2.575 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.916 -2.445 -3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -5.535 -4.132 -3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -7.036 -3.751 -4.301 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.263 -6.219 -1.070 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.857 -7.413 -0.480 1.00 0.00 C ATOM 1056 C LYS A 70 -11.896 -8.043 -1.400 1.00 0.00 C ATOM 1057 O LYS A 70 -12.151 -9.245 -1.334 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.497 -7.069 0.865 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.745 -6.218 0.737 1.00 0.00 C ATOM 1060 CD LYS A 70 -14.008 -7.033 0.931 1.00 0.00 C ATOM 1061 CE LYS A 70 -15.241 -6.162 0.784 1.00 0.00 C ATOM 1062 NZ LYS A 70 -16.443 -6.955 0.412 1.00 0.00 N ATOM 0 H LYS A 70 -10.540 -5.346 -0.621 1.00 0.00 H new ATOM 0 HA LYS A 70 -10.058 -8.140 -0.332 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.748 -7.993 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.769 -6.542 1.482 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.714 -5.416 1.474 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.764 -5.747 -0.246 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.040 -7.842 0.201 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -14.000 -7.495 1.918 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -15.428 -5.638 1.721 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -15.059 -5.402 0.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -17.224 -6.311 0.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.224 -7.553 -0.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.723 -7.557 1.213 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.505 -7.221 -2.239 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.535 -7.691 -3.156 1.00 0.00 C ATOM 1078 C GLN A 71 -12.969 -8.597 -4.245 1.00 0.00 C ATOM 1079 O GLN A 71 -13.595 -9.585 -4.630 1.00 0.00 O ATOM 1080 CB GLN A 71 -14.269 -6.500 -3.775 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.571 -6.172 -3.065 1.00 0.00 C ATOM 1082 CD GLN A 71 -16.046 -4.762 -3.344 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -17.141 -4.556 -3.868 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -15.221 -3.783 -2.995 1.00 0.00 N ATOM 0 H GLN A 71 -12.305 -6.223 -2.305 1.00 0.00 H new ATOM 0 HA GLN A 71 -14.240 -8.289 -2.579 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.618 -5.626 -3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.477 -6.713 -4.824 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -16.339 -6.879 -3.378 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -15.437 -6.301 -1.991 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.323 -4.002 -2.563 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.485 -2.811 -3.158 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.797 -8.248 -4.745 1.00 0.00 N ATOM 1094 CA ARG A 72 -11.157 -9.026 -5.806 1.00 0.00 C ATOM 1095 C ARG A 72 -9.966 -9.824 -5.288 1.00 0.00 C ATOM 1096 O ARG A 72 -9.886 -11.039 -5.475 1.00 0.00 O ATOM 1097 CB ARG A 72 -10.708 -8.102 -6.941 1.00 0.00 C ATOM 1098 CG ARG A 72 -11.817 -7.777 -7.933 1.00 0.00 C ATOM 1099 CD ARG A 72 -12.119 -6.286 -7.978 1.00 0.00 C ATOM 1100 NE ARG A 72 -11.942 -5.735 -9.319 1.00 0.00 N ATOM 1101 CZ ARG A 72 -12.512 -4.606 -9.741 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -13.291 -3.901 -8.931 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -12.299 -4.182 -10.980 1.00 0.00 N ATOM 0 H ARG A 72 -11.265 -7.434 -4.438 1.00 0.00 H new ATOM 0 HA ARG A 72 -11.895 -9.735 -6.181 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.329 -7.173 -6.515 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -9.880 -8.570 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -11.527 -8.119 -8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -12.720 -8.322 -7.659 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -13.143 -6.113 -7.646 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -11.465 -5.762 -7.281 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.347 -6.245 -9.972 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -13.458 -4.222 -7.977 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.723 -3.038 -9.262 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.700 -4.719 -11.607 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -12.734 -3.319 -11.305 1.00 0.00 H new ATOM 1117 N HIS A 73 -9.041 -9.127 -4.660 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.831 -9.752 -4.127 1.00 0.00 C ATOM 1119 C HIS A 73 -8.087 -10.368 -2.754 1.00 0.00 C ATOM 1120 O HIS A 73 -8.879 -9.851 -1.968 1.00 0.00 O ATOM 1121 CB HIS A 73 -6.701 -8.720 -4.064 1.00 0.00 C ATOM 1122 CG HIS A 73 -6.845 -7.658 -5.108 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -6.898 -6.312 -5.001 1.00 0.00 N flip ATOM 1124 CD2 HIS A 73 -7.015 -7.943 -6.445 1.00 0.00 C flip ATOM 1125 CE1 HIS A 73 -7.101 -5.811 -6.265 1.00 0.00 C flip ATOM 1126 NE2 HIS A 73 -7.169 -6.817 -7.118 1.00 0.00 N flip ATOM 0 H HIS A 73 -9.098 -8.121 -4.502 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.533 -10.560 -4.795 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -6.689 -8.257 -3.077 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.743 -9.225 -4.191 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.021 -8.933 -6.876 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -7.190 -4.765 -6.519 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -7.315 -6.738 -8.124 1.00 0.00 H new ATOM 1135 N PRO A 74 -7.427 -11.503 -2.458 1.00 0.00 N ATOM 1136 CA PRO A 74 -7.596 -12.209 -1.184 1.00 0.00 C ATOM 1137 C PRO A 74 -7.078 -11.419 0.015 1.00 0.00 C ATOM 1138 O PRO A 74 -7.857 -10.801 0.741 1.00 0.00 O ATOM 1139 CB PRO A 74 -6.792 -13.500 -1.369 1.00 0.00 C ATOM 1140 CG PRO A 74 -5.821 -13.206 -2.463 1.00 0.00 C ATOM 1141 CD PRO A 74 -6.481 -12.191 -3.353 1.00 0.00 C ATOM 0 HA PRO A 74 -8.650 -12.377 -0.964 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -6.276 -13.777 -0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -7.442 -14.334 -1.634 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -4.886 -12.819 -2.059 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.577 -14.111 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.755 -11.498 -3.777 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.994 -12.666 -4.189 1.00 0.00 H new ATOM 1149 N MET A 75 -5.763 -11.443 0.231 1.00 0.00 N ATOM 1150 CA MET A 75 -5.170 -10.733 1.356 1.00 0.00 C ATOM 1151 C MET A 75 -4.044 -9.811 0.909 1.00 0.00 C ATOM 1152 O MET A 75 -2.979 -9.771 1.525 1.00 0.00 O ATOM 1153 CB MET A 75 -4.661 -11.722 2.404 1.00 0.00 C ATOM 1154 CG MET A 75 -5.681 -12.028 3.487 1.00 0.00 C ATOM 1155 SD MET A 75 -5.297 -13.533 4.401 1.00 0.00 S ATOM 1156 CE MET A 75 -6.923 -13.978 5.005 1.00 0.00 C ATOM 0 H MET A 75 -5.095 -11.943 -0.355 1.00 0.00 H new ATOM 0 HA MET A 75 -5.949 -10.114 1.801 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.377 -12.651 1.909 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.760 -11.319 2.867 1.00 0.00 H new ATOM 0 HG2 MET A 75 -5.730 -11.189 4.181 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.668 -12.125 3.034 1.00 0.00 H new ATOM 0 HE1 MET A 75 -6.855 -14.893 5.593 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.312 -13.174 5.630 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.594 -14.138 4.161 1.00 0.00 H new ATOM 1166 N LEU A 76 -4.293 -9.061 -0.155 1.00 0.00 N ATOM 1167 CA LEU A 76 -3.308 -8.122 -0.677 1.00 0.00 C ATOM 1168 C LEU A 76 -2.923 -7.101 0.392 1.00 0.00 C ATOM 1169 O LEU A 76 -3.710 -6.210 0.715 1.00 0.00 O ATOM 1170 CB LEU A 76 -3.877 -7.391 -1.893 1.00 0.00 C ATOM 1171 CG LEU A 76 -2.849 -6.788 -2.848 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -2.401 -5.434 -2.332 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -1.665 -7.723 -3.036 1.00 0.00 C ATOM 0 H LEU A 76 -5.170 -9.084 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 76 -2.420 -8.682 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.500 -8.088 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.530 -6.592 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 76 -3.314 -6.652 -3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.668 -5.008 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.261 -4.768 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.951 -5.551 -1.346 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.948 -7.269 -3.720 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.185 -7.901 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.011 -8.670 -3.449 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.710 -7.208 0.963 1.00 0.00 N ATOM 1186 CA PRO A 77 -1.243 -6.280 2.001 1.00 0.00 C ATOM 1187 C PRO A 77 -1.244 -4.830 1.523 1.00 0.00 C ATOM 1188 O PRO A 77 -0.522 -4.467 0.595 1.00 0.00 O ATOM 1189 CB PRO A 77 0.183 -6.757 2.293 1.00 0.00 C ATOM 1190 CG PRO A 77 0.196 -8.180 1.857 1.00 0.00 C ATOM 1191 CD PRO A 77 -0.697 -8.233 0.653 1.00 0.00 C ATOM 0 HA PRO A 77 -1.890 -6.287 2.878 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.919 -6.167 1.746 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.424 -6.664 3.352 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.206 -8.507 1.612 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.169 -8.837 2.647 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -0.155 -8.004 -0.265 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.144 -9.219 0.522 1.00 0.00 H new ATOM 1199 N VAL A 78 -2.068 -4.009 2.166 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.183 -2.598 1.819 1.00 0.00 C ATOM 1201 C VAL A 78 -1.654 -1.718 2.935 1.00 0.00 C ATOM 1202 O VAL A 78 -1.683 -2.092 4.110 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.644 -2.196 1.543 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.708 -0.868 0.798 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.356 -3.295 0.770 1.00 0.00 C ATOM 0 H VAL A 78 -2.670 -4.300 2.936 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.591 -2.454 0.915 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.155 -2.065 2.497 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.749 -0.604 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.237 -0.090 1.400 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.183 -0.959 -0.153 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.388 -2.998 0.582 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.847 -3.460 -0.180 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.344 -4.216 1.353 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.179 -0.546 2.562 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.650 0.395 3.530 1.00 0.00 C ATOM 1217 C ILE A 79 -1.011 1.815 3.145 1.00 0.00 C ATOM 1218 O ILE A 79 -0.575 2.324 2.116 1.00 0.00 O ATOM 1219 CB ILE A 79 0.872 0.310 3.642 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.348 -1.133 3.733 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.351 1.105 4.841 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.715 -1.323 3.126 1.00 0.00 C ATOM 0 H ILE A 79 -1.148 -0.222 1.595 1.00 0.00 H new ATOM 0 HA ILE A 79 -1.094 0.132 4.490 1.00 0.00 H new ATOM 0 HB ILE A 79 1.300 0.739 2.736 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.371 -1.441 4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.634 -1.782 3.226 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.437 1.038 4.912 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.059 2.149 4.726 1.00 0.00 H new ATOM 0 HG23 ILE A 79 0.903 0.701 5.748 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.011 -2.368 3.215 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.688 -1.042 2.073 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.436 -0.696 3.650 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.816 2.450 3.966 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.237 3.810 3.690 1.00 0.00 C ATOM 1236 C ILE A 80 -1.350 4.843 4.381 1.00 0.00 C ATOM 1237 O ILE A 80 -1.073 4.743 5.576 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.696 4.030 4.117 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.515 2.752 3.914 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.300 5.182 3.339 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.517 2.258 2.485 1.00 0.00 C ATOM 0 H ILE A 80 -2.192 2.052 4.826 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.145 3.948 2.613 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.715 4.280 5.178 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.118 1.969 4.560 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.543 2.935 4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.334 5.329 3.650 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.730 6.091 3.533 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.270 4.956 2.273 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.116 1.350 2.415 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.941 3.024 1.836 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.495 2.043 2.173 1.00 0.00 H new ATOM 1253 N MET A 81 -0.912 5.841 3.611 1.00 0.00 N ATOM 1254 CA MET A 81 -0.058 6.907 4.141 1.00 0.00 C ATOM 1255 C MET A 81 -0.861 7.898 4.988 1.00 0.00 C ATOM 1256 O MET A 81 -0.289 8.784 5.617 1.00 0.00 O ATOM 1257 CB MET A 81 0.672 7.663 3.023 1.00 0.00 C ATOM 1258 CG MET A 81 -0.058 7.706 1.689 1.00 0.00 C ATOM 1259 SD MET A 81 0.820 6.812 0.387 1.00 0.00 S ATOM 1260 CE MET A 81 0.817 5.137 1.026 1.00 0.00 C ATOM 0 H MET A 81 -1.134 5.934 2.620 1.00 0.00 H new ATOM 0 HA MET A 81 0.685 6.422 4.773 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.851 8.686 3.354 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.648 7.202 2.871 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.054 7.279 1.810 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.191 8.744 1.385 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.488 4.519 0.429 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.154 5.142 2.062 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.193 4.730 0.975 1.00 0.00 H new ATOM 1270 N THR A 82 -2.182 7.742 5.014 1.00 0.00 N ATOM 1271 CA THR A 82 -3.040 8.623 5.805 1.00 0.00 C ATOM 1272 C THR A 82 -4.232 7.847 6.359 1.00 0.00 C ATOM 1273 O THR A 82 -4.599 6.800 5.828 1.00 0.00 O ATOM 1274 CB THR A 82 -3.531 9.807 4.961 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.500 10.289 4.116 1.00 0.00 O ATOM 1276 CG2 THR A 82 -4.025 10.972 5.795 1.00 0.00 C ATOM 0 H THR A 82 -2.681 7.017 4.499 1.00 0.00 H new ATOM 0 HA THR A 82 -2.452 9.011 6.637 1.00 0.00 H new ATOM 0 HB THR A 82 -4.365 9.417 4.378 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.863 10.461 3.222 1.00 0.00 H new ATOM 0 HG21 THR A 82 -4.357 11.775 5.137 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.857 10.646 6.419 1.00 0.00 H new ATOM 0 HG23 THR A 82 -3.216 11.334 6.430 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.832 8.364 7.428 1.00 0.00 N ATOM 1285 CA ALA A 83 -5.984 7.718 8.051 1.00 0.00 C ATOM 1286 C ALA A 83 -6.978 8.760 8.559 1.00 0.00 C ATOM 1287 O ALA A 83 -7.446 8.684 9.696 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.539 6.816 9.193 1.00 0.00 C ATOM 0 H ALA A 83 -4.539 9.229 7.881 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.479 7.106 7.296 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.411 6.344 9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.868 6.047 8.809 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.018 7.410 9.944 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.284 9.739 7.714 1.00 0.00 N ATOM 1295 CA HIS A 84 -8.206 10.809 8.083 1.00 0.00 C ATOM 1296 C HIS A 84 -9.660 10.341 8.054 1.00 0.00 C ATOM 1297 O HIS A 84 -10.233 10.118 6.987 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.030 12.006 7.145 1.00 0.00 C ATOM 1299 CG HIS A 84 -6.646 12.578 7.163 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -5.776 12.407 8.219 1.00 0.00 N ATOM 1301 CD2 HIS A 84 -5.980 13.319 6.245 1.00 0.00 C ATOM 1302 CE1 HIS A 84 -4.636 13.020 7.952 1.00 0.00 C ATOM 1303 NE2 HIS A 84 -4.734 13.581 6.761 1.00 0.00 N ATOM 0 H HIS A 84 -6.907 9.814 6.769 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.969 11.106 9.105 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.275 11.700 6.128 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -8.740 12.784 7.424 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -6.358 13.643 5.287 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -3.771 13.056 8.598 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -4.003 14.122 6.299 1.00 0.00 H new ATOM 1312 N SER A 85 -10.252 10.210 9.239 1.00 0.00 N ATOM 1313 CA SER A 85 -11.644 9.787 9.364 1.00 0.00 C ATOM 1314 C SER A 85 -11.915 8.502 8.589 1.00 0.00 C ATOM 1315 O SER A 85 -11.030 7.961 7.926 1.00 0.00 O ATOM 1316 CB SER A 85 -12.578 10.892 8.869 1.00 0.00 C ATOM 1317 OG SER A 85 -12.199 12.151 9.395 1.00 0.00 O ATOM 0 H SER A 85 -9.787 10.391 10.129 1.00 0.00 H new ATOM 0 HA SER A 85 -11.834 9.592 10.420 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.559 10.928 7.780 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.603 10.665 9.162 1.00 0.00 H new ATOM 0 HG SER A 85 -12.810 12.842 9.063 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.154 8.025 8.682 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.566 6.806 7.995 1.00 0.00 C ATOM 1325 C ASP A 86 -12.776 5.592 8.488 1.00 0.00 C ATOM 1326 O ASP A 86 -12.801 4.535 7.860 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.393 6.974 6.484 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.286 8.060 5.918 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -14.426 9.115 6.573 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.846 7.858 4.821 1.00 0.00 O ATOM 0 H ASP A 86 -13.892 8.467 9.229 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.618 6.631 8.219 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.352 7.212 6.264 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.616 6.029 5.988 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.089 5.753 9.622 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.287 4.683 10.222 1.00 0.00 C ATOM 1337 C LEU A 87 -12.037 3.346 10.257 1.00 0.00 C ATOM 1338 O LEU A 87 -11.423 2.281 10.327 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.889 5.086 11.646 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.432 4.808 12.025 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -9.158 3.313 12.019 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.482 5.535 11.082 1.00 0.00 C ATOM 0 H LEU A 87 -12.073 6.626 10.149 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.401 4.545 9.603 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.082 6.151 11.771 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.536 4.560 12.348 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.261 5.184 13.034 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.118 3.133 12.291 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.812 2.820 12.739 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.348 2.912 11.023 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.452 5.324 11.369 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.651 5.194 10.061 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.662 6.608 11.140 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.364 3.415 10.230 1.00 0.00 N ATOM 1355 CA ASP A 88 -14.212 2.223 10.283 1.00 0.00 C ATOM 1356 C ASP A 88 -13.770 1.142 9.296 1.00 0.00 C ATOM 1357 O ASP A 88 -13.710 -0.036 9.647 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.667 2.602 10.005 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.246 3.492 11.086 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.203 3.095 12.268 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -16.744 4.587 10.750 1.00 0.00 O ATOM 0 H ASP A 88 -13.882 4.292 10.171 1.00 0.00 H new ATOM 0 HA ASP A 88 -14.115 1.810 11.287 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.730 3.113 9.044 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -16.267 1.696 9.924 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.482 1.536 8.063 1.00 0.00 N ATOM 1367 CA ALA A 89 -13.071 0.581 7.044 1.00 0.00 C ATOM 1368 C ALA A 89 -11.646 0.092 7.270 1.00 0.00 C ATOM 1369 O ALA A 89 -11.257 -0.960 6.761 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.218 1.185 5.659 1.00 0.00 C ATOM 0 H ALA A 89 -13.525 2.504 7.746 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.728 -0.285 7.120 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -12.906 0.457 4.910 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.260 1.457 5.489 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.594 2.075 5.582 1.00 0.00 H new ATOM 1376 N ALA A 90 -10.869 0.847 8.039 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.492 0.461 8.326 1.00 0.00 C ATOM 1378 C ALA A 90 -9.458 -0.899 9.002 1.00 0.00 C ATOM 1379 O ALA A 90 -8.565 -1.707 8.749 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.801 1.498 9.199 1.00 0.00 C ATOM 0 H ALA A 90 -11.165 1.722 8.471 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.954 0.402 7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.776 1.183 9.396 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.793 2.459 8.685 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.338 1.596 10.142 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.442 -1.153 9.860 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.513 -2.424 10.557 1.00 0.00 C ATOM 1388 C VAL A 91 -10.768 -3.557 9.574 1.00 0.00 C ATOM 1389 O VAL A 91 -10.215 -4.648 9.712 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.591 -2.443 11.655 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.383 -3.654 12.549 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.558 -1.158 12.474 1.00 0.00 C ATOM 0 H VAL A 91 -11.192 -0.500 10.085 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.548 -2.564 11.043 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.572 -2.510 11.184 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.147 -3.668 13.327 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.456 -4.563 11.953 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.397 -3.601 13.010 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.329 -1.197 13.243 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.581 -1.052 12.945 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.740 -0.305 11.820 1.00 0.00 H new ATOM 1402 N SER A 92 -11.588 -3.283 8.565 1.00 0.00 N ATOM 1403 CA SER A 92 -11.888 -4.275 7.542 1.00 0.00 C ATOM 1404 C SER A 92 -10.635 -4.566 6.726 1.00 0.00 C ATOM 1405 O SER A 92 -10.488 -5.642 6.145 1.00 0.00 O ATOM 1406 CB SER A 92 -13.009 -3.782 6.625 1.00 0.00 C ATOM 1407 OG SER A 92 -14.060 -3.190 7.370 1.00 0.00 O ATOM 0 H SER A 92 -12.055 -2.385 8.435 1.00 0.00 H new ATOM 0 HA SER A 92 -12.222 -5.191 8.030 1.00 0.00 H new ATOM 0 HB2 SER A 92 -12.610 -3.057 5.916 1.00 0.00 H new ATOM 0 HB3 SER A 92 -13.399 -4.617 6.042 1.00 0.00 H new ATOM 0 HG SER A 92 -14.761 -2.883 6.759 1.00 0.00 H new ATOM 1413 N ALA A 93 -9.729 -3.593 6.695 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.481 -3.724 5.966 1.00 0.00 C ATOM 1415 C ALA A 93 -7.621 -4.827 6.563 1.00 0.00 C ATOM 1416 O ALA A 93 -7.114 -5.695 5.856 1.00 0.00 O ATOM 1417 CB ALA A 93 -7.753 -2.394 5.964 1.00 0.00 C ATOM 0 H ALA A 93 -9.842 -2.699 7.173 1.00 0.00 H new ATOM 0 HA ALA A 93 -8.695 -4.004 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -6.816 -2.493 5.416 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.376 -1.639 5.484 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.543 -2.092 6.990 1.00 0.00 H new ATOM 1423 N TYR A 94 -7.479 -4.801 7.872 1.00 0.00 N ATOM 1424 CA TYR A 94 -6.706 -5.822 8.570 1.00 0.00 C ATOM 1425 C TYR A 94 -7.348 -7.187 8.343 1.00 0.00 C ATOM 1426 O TYR A 94 -6.684 -8.224 8.378 1.00 0.00 O ATOM 1427 CB TYR A 94 -6.632 -5.520 10.069 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.489 -4.049 10.390 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.474 -3.287 9.823 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.371 -3.421 11.260 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.345 -1.941 10.115 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.248 -2.077 11.556 1.00 0.00 C ATOM 1433 CZ TYR A 94 -6.233 -1.342 10.980 1.00 0.00 C ATOM 1434 OH TYR A 94 -6.108 -0.003 11.272 1.00 0.00 O ATOM 0 H TYR A 94 -7.885 -4.088 8.478 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.690 -5.825 8.174 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.532 -5.902 10.552 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -5.787 -6.059 10.497 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.775 -3.753 9.144 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.167 -3.993 11.713 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.551 -1.362 9.666 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.943 -1.605 12.235 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.814 0.263 11.897 1.00 0.00 H new ATOM 1444 N GLN A 95 -8.655 -7.159 8.104 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.433 -8.362 7.850 1.00 0.00 C ATOM 1446 C GLN A 95 -9.205 -8.856 6.425 1.00 0.00 C ATOM 1447 O GLN A 95 -9.083 -10.058 6.186 1.00 0.00 O ATOM 1448 CB GLN A 95 -10.922 -8.076 8.099 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.887 -9.057 7.441 1.00 0.00 C ATOM 1450 CD GLN A 95 -13.012 -8.351 6.712 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -14.182 -8.705 6.857 1.00 0.00 O ATOM 1452 NE2 GLN A 95 -12.662 -7.341 5.921 1.00 0.00 N ATOM 0 H GLN A 95 -9.204 -6.299 8.081 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.108 -9.148 8.532 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.102 -8.079 9.174 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.148 -7.072 7.741 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.340 -9.686 6.739 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.306 -9.717 8.201 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -11.680 -7.081 5.830 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -13.376 -6.826 5.405 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.163 -7.925 5.476 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.967 -8.281 4.079 1.00 0.00 C ATOM 1463 C GLN A 96 -7.517 -8.646 3.786 1.00 0.00 C ATOM 1464 O GLN A 96 -7.233 -9.256 2.762 1.00 0.00 O ATOM 1465 CB GLN A 96 -9.411 -7.149 3.155 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.539 -5.908 3.233 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.601 -5.778 2.049 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.247 -6.768 1.409 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -7.193 -4.549 1.755 1.00 0.00 N ATOM 0 H GLN A 96 -9.262 -6.925 5.650 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.585 -9.158 3.888 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -9.415 -7.513 2.128 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -10.437 -6.875 3.400 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.175 -5.024 3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.955 -5.936 4.153 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -7.513 -3.758 2.314 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -6.560 -4.396 0.970 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.604 -8.272 4.678 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.202 -8.586 4.467 1.00 0.00 C ATOM 1480 C GLY A 97 -4.304 -7.366 4.517 1.00 0.00 C ATOM 1481 O GLY A 97 -3.084 -7.483 4.401 1.00 0.00 O ATOM 0 H GLY A 97 -6.808 -7.761 5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.878 -9.299 5.225 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -5.087 -9.075 3.499 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.898 -6.190 4.692 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.132 -4.955 4.758 1.00 0.00 C ATOM 1487 C ALA A 98 -3.072 -5.031 5.851 1.00 0.00 C ATOM 1488 O ALA A 98 -3.199 -5.815 6.792 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.058 -3.776 4.999 1.00 0.00 C ATOM 0 H ALA A 98 -5.906 -6.068 4.790 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.625 -4.814 3.803 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.473 -2.858 5.046 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.778 -3.706 4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.589 -3.917 5.940 1.00 0.00 H new ATOM 1495 N PHE A 99 -2.021 -4.224 5.727 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.957 -4.229 6.716 1.00 0.00 C ATOM 1497 C PHE A 99 -1.260 -3.290 7.877 1.00 0.00 C ATOM 1498 O PHE A 99 -1.211 -3.695 9.038 1.00 0.00 O ATOM 1499 CB PHE A 99 0.388 -3.853 6.095 1.00 0.00 C ATOM 1500 CG PHE A 99 1.522 -3.971 7.072 1.00 0.00 C ATOM 1501 CD1 PHE A 99 1.858 -5.200 7.616 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.240 -2.852 7.463 1.00 0.00 C ATOM 1503 CE1 PHE A 99 2.888 -5.312 8.529 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.273 -2.958 8.374 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.598 -4.189 8.908 1.00 0.00 C ATOM 0 H PHE A 99 -1.888 -3.567 4.959 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.897 -5.248 7.099 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.582 -4.497 5.238 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.339 -2.830 5.721 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.307 -6.082 7.322 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.989 -1.886 7.051 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.138 -6.276 8.946 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.826 -2.078 8.668 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.405 -4.274 9.620 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.559 -2.027 7.568 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.850 -1.047 8.613 1.00 0.00 C ATOM 1517 C ASP A 100 -2.007 0.363 8.038 1.00 0.00 C ATOM 1518 O ASP A 100 -2.231 0.535 6.837 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.742 -1.071 9.673 1.00 0.00 C ATOM 1520 CG ASP A 100 -1.259 -1.485 11.037 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.886 -0.644 11.716 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.040 -2.651 11.427 1.00 0.00 O ATOM 0 H ASP A 100 -1.606 -1.663 6.616 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.799 -1.319 9.075 1.00 0.00 H new ATOM 0 HB2 ASP A 100 0.042 -1.760 9.360 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.288 -0.082 9.744 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.895 1.370 8.906 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.032 2.761 8.487 1.00 0.00 C ATOM 1529 C TYR A 101 -0.845 3.597 8.950 1.00 0.00 C ATOM 1530 O TYR A 101 -0.531 3.648 10.138 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.336 3.354 9.028 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.473 3.295 8.038 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.188 2.120 7.837 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.823 4.414 7.296 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.222 2.067 6.923 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -5.858 4.370 6.382 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.554 3.193 6.201 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.585 3.139 5.294 1.00 0.00 O ATOM 0 H TYR A 101 -1.710 1.246 9.901 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.056 2.781 7.397 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.623 2.818 9.933 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.165 4.392 9.313 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.932 1.237 8.403 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.277 5.335 7.435 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.768 1.147 6.775 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.120 5.250 5.814 1.00 0.00 H new ATOM 0 HH TYR A 101 -7.437 3.805 4.591 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.196 4.253 7.996 1.00 0.00 N ATOM 1549 CA LEU A 102 0.957 5.095 8.287 1.00 0.00 C ATOM 1550 C LEU A 102 0.580 6.565 8.170 1.00 0.00 C ATOM 1551 O LEU A 102 -0.114 6.955 7.240 1.00 0.00 O ATOM 1552 CB LEU A 102 2.098 4.768 7.320 1.00 0.00 C ATOM 1553 CG LEU A 102 3.313 5.701 7.376 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.325 5.207 8.403 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.956 5.814 5.996 1.00 0.00 C ATOM 0 H LEU A 102 -0.451 4.217 7.009 1.00 0.00 H new ATOM 0 HA LEU A 102 1.287 4.899 9.307 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.436 3.751 7.519 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.702 4.780 6.305 1.00 0.00 H new ATOM 0 HG LEU A 102 2.976 6.691 7.683 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.179 5.884 8.427 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.859 5.177 9.388 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.662 4.207 8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.818 6.479 6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.279 4.828 5.663 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.231 6.216 5.288 1.00 0.00 H new ATOM 1567 N PRO A 103 1.038 7.406 9.108 1.00 0.00 N ATOM 1568 CA PRO A 103 0.744 8.840 9.083 1.00 0.00 C ATOM 1569 C PRO A 103 1.127 9.458 7.736 1.00 0.00 C ATOM 1570 O PRO A 103 1.817 8.827 6.935 1.00 0.00 O ATOM 1571 CB PRO A 103 1.590 9.406 10.238 1.00 0.00 C ATOM 1572 CG PRO A 103 2.571 8.330 10.571 1.00 0.00 C ATOM 1573 CD PRO A 103 1.880 7.038 10.253 1.00 0.00 C ATOM 0 HA PRO A 103 -0.317 9.061 9.202 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.098 10.323 9.941 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.967 9.651 11.099 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.485 8.439 9.987 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.857 8.373 11.622 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.589 6.250 10.000 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.288 6.676 11.093 1.00 0.00 H new ATOM 1581 N LYS A 104 0.649 10.677 7.474 1.00 0.00 N ATOM 1582 CA LYS A 104 0.919 11.355 6.200 1.00 0.00 C ATOM 1583 C LYS A 104 2.361 11.180 5.732 1.00 0.00 C ATOM 1584 O LYS A 104 2.596 10.890 4.557 1.00 0.00 O ATOM 1585 CB LYS A 104 0.573 12.838 6.277 1.00 0.00 C ATOM 1586 CG LYS A 104 -0.086 13.361 5.007 1.00 0.00 C ATOM 1587 CD LYS A 104 0.774 13.097 3.773 1.00 0.00 C ATOM 1588 CE LYS A 104 0.296 11.874 2.993 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.900 11.805 1.628 1.00 0.00 N ATOM 0 H LYS A 104 0.075 11.215 8.123 1.00 0.00 H new ATOM 0 HA LYS A 104 0.275 10.877 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.094 13.007 7.122 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.482 13.408 6.470 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.059 12.887 4.880 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.264 14.432 5.104 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.754 13.972 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.810 12.950 4.078 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.549 10.970 3.547 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -0.790 11.901 2.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 1.004 10.810 1.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.283 12.296 0.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.834 12.261 1.638 1.00 0.00 H new ATOM 1603 N PRO A 105 3.357 11.347 6.624 1.00 0.00 N ATOM 1604 CA PRO A 105 4.761 11.192 6.248 1.00 0.00 C ATOM 1605 C PRO A 105 4.960 9.917 5.443 1.00 0.00 C ATOM 1606 O PRO A 105 4.088 9.048 5.430 1.00 0.00 O ATOM 1607 CB PRO A 105 5.472 11.105 7.597 1.00 0.00 C ATOM 1608 CG PRO A 105 4.618 11.908 8.514 1.00 0.00 C ATOM 1609 CD PRO A 105 3.200 11.707 8.045 1.00 0.00 C ATOM 0 HA PRO A 105 5.135 12.002 5.621 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.558 10.073 7.936 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.483 11.507 7.541 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.738 11.579 9.546 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.894 12.962 8.481 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.699 10.918 8.606 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.605 12.612 8.167 1.00 0.00 H new ATOM 1617 N PHE A 106 6.076 9.817 4.741 1.00 0.00 N ATOM 1618 CA PHE A 106 6.321 8.655 3.911 1.00 0.00 C ATOM 1619 C PHE A 106 7.795 8.561 3.510 1.00 0.00 C ATOM 1620 O PHE A 106 8.606 8.032 4.269 1.00 0.00 O ATOM 1621 CB PHE A 106 5.399 8.729 2.686 1.00 0.00 C ATOM 1622 CG PHE A 106 4.972 7.399 2.141 1.00 0.00 C ATOM 1623 CD1 PHE A 106 3.976 6.658 2.763 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.557 6.900 0.990 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.580 5.443 2.243 1.00 0.00 C ATOM 1626 CE2 PHE A 106 5.160 5.687 0.466 1.00 0.00 C ATOM 1627 CZ PHE A 106 4.171 4.959 1.092 1.00 0.00 C ATOM 0 H PHE A 106 6.817 10.518 4.730 1.00 0.00 H new ATOM 0 HA PHE A 106 6.098 7.747 4.472 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.509 9.300 2.952 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.909 9.283 1.898 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.508 7.035 3.660 1.00 0.00 H new ATOM 0 HD2 PHE A 106 6.333 7.467 0.497 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.808 4.870 2.736 1.00 0.00 H new ATOM 0 HE2 PHE A 106 5.623 5.309 -0.433 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.858 4.010 0.683 1.00 0.00 H new ATOM 1637 N ASP A 107 8.152 9.068 2.326 1.00 0.00 N ATOM 1638 CA ASP A 107 9.535 9.017 1.857 1.00 0.00 C ATOM 1639 C ASP A 107 10.149 7.646 2.141 1.00 0.00 C ATOM 1640 O ASP A 107 9.460 6.725 2.562 1.00 0.00 O ATOM 1641 CB ASP A 107 10.363 10.123 2.514 1.00 0.00 C ATOM 1642 CG ASP A 107 10.600 9.874 3.990 1.00 0.00 C ATOM 1643 OD1 ASP A 107 11.578 9.175 4.321 1.00 0.00 O ATOM 1644 OD2 ASP A 107 9.805 10.377 4.812 1.00 0.00 O ATOM 0 H ASP A 107 7.503 9.516 1.679 1.00 0.00 H new ATOM 0 HA ASP A 107 9.539 9.177 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.323 10.205 2.004 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.853 11.078 2.388 1.00 0.00 H new ATOM 1649 N ILE A 108 11.439 7.505 1.893 1.00 0.00 N ATOM 1650 CA ILE A 108 12.109 6.231 2.114 1.00 0.00 C ATOM 1651 C ILE A 108 12.181 5.870 3.582 1.00 0.00 C ATOM 1652 O ILE A 108 11.851 4.750 3.973 1.00 0.00 O ATOM 1653 CB ILE A 108 13.515 6.244 1.470 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.398 5.867 0.000 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.512 5.329 2.181 1.00 0.00 C ATOM 1656 CD1 ILE A 108 12.293 6.618 -0.710 1.00 0.00 C ATOM 0 H ILE A 108 12.042 8.249 1.541 1.00 0.00 H new ATOM 0 HA ILE A 108 11.513 5.457 1.631 1.00 0.00 H new ATOM 0 HB ILE A 108 13.910 7.255 1.570 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.346 6.067 -0.499 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.215 4.796 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.478 5.384 1.680 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.622 5.647 3.218 1.00 0.00 H new ATOM 0 HG23 ILE A 108 14.147 4.302 2.153 1.00 0.00 H new ATOM 0 HD11 ILE A 108 12.256 6.309 -1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.338 6.398 -0.232 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.488 7.689 -0.655 1.00 0.00 H new ATOM 1668 N ASP A 109 12.616 6.806 4.390 1.00 0.00 N ATOM 1669 CA ASP A 109 12.735 6.560 5.816 1.00 0.00 C ATOM 1670 C ASP A 109 11.437 6.012 6.409 1.00 0.00 C ATOM 1671 O ASP A 109 11.448 4.968 7.052 1.00 0.00 O ATOM 1672 CB ASP A 109 13.160 7.829 6.558 1.00 0.00 C ATOM 1673 CG ASP A 109 14.653 8.077 6.466 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.425 7.261 7.015 1.00 0.00 O ATOM 1675 OD2 ASP A 109 15.053 9.084 5.845 1.00 0.00 O ATOM 0 H ASP A 109 12.893 7.741 4.092 1.00 0.00 H new ATOM 0 HA ASP A 109 13.508 5.802 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.626 8.685 6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.871 7.748 7.606 1.00 0.00 H new ATOM 1680 N GLU A 110 10.329 6.728 6.223 1.00 0.00 N ATOM 1681 CA GLU A 110 9.050 6.309 6.783 1.00 0.00 C ATOM 1682 C GLU A 110 8.380 5.188 5.987 1.00 0.00 C ATOM 1683 O GLU A 110 7.670 4.361 6.562 1.00 0.00 O ATOM 1684 CB GLU A 110 8.107 7.511 6.921 1.00 0.00 C ATOM 1685 CG GLU A 110 8.732 8.689 7.651 1.00 0.00 C ATOM 1686 CD GLU A 110 8.397 8.702 9.129 1.00 0.00 C ATOM 1687 OE1 GLU A 110 8.234 7.608 9.710 1.00 0.00 O ATOM 1688 OE2 GLU A 110 8.297 9.805 9.708 1.00 0.00 O ATOM 0 H GLU A 110 10.293 7.597 5.691 1.00 0.00 H new ATOM 0 HA GLU A 110 9.263 5.899 7.770 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.794 7.833 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.208 7.199 7.453 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.814 8.655 7.528 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.388 9.618 7.196 1.00 0.00 H new ATOM 1695 N ALA A 111 8.603 5.141 4.678 1.00 0.00 N ATOM 1696 CA ALA A 111 8.000 4.095 3.866 1.00 0.00 C ATOM 1697 C ALA A 111 8.819 2.819 3.937 1.00 0.00 C ATOM 1698 O ALA A 111 8.320 1.779 4.365 1.00 0.00 O ATOM 1699 CB ALA A 111 7.831 4.541 2.429 1.00 0.00 C ATOM 0 H ALA A 111 9.186 5.803 4.166 1.00 0.00 H new ATOM 0 HA ALA A 111 7.009 3.892 4.271 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.378 3.737 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.188 5.420 2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.806 4.788 2.008 1.00 0.00 H new ATOM 1705 N VAL A 112 10.083 2.897 3.527 1.00 0.00 N ATOM 1706 CA VAL A 112 10.949 1.729 3.566 1.00 0.00 C ATOM 1707 C VAL A 112 10.923 1.093 4.946 1.00 0.00 C ATOM 1708 O VAL A 112 11.007 -0.125 5.094 1.00 0.00 O ATOM 1709 CB VAL A 112 12.402 2.058 3.196 1.00 0.00 C ATOM 1710 CG1 VAL A 112 13.222 0.780 3.136 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.458 2.803 1.875 1.00 0.00 C ATOM 0 H VAL A 112 10.522 3.745 3.169 1.00 0.00 H new ATOM 0 HA VAL A 112 10.561 1.033 2.822 1.00 0.00 H new ATOM 0 HB VAL A 112 12.826 2.705 3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.252 1.021 2.873 1.00 0.00 H new ATOM 0 HG12 VAL A 112 13.201 0.288 4.109 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.802 0.113 2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.495 3.028 1.628 1.00 0.00 H new ATOM 0 HG22 VAL A 112 12.024 2.184 1.090 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.895 3.732 1.957 1.00 0.00 H new ATOM 1721 N ALA A 113 10.787 1.935 5.954 1.00 0.00 N ATOM 1722 CA ALA A 113 10.720 1.472 7.329 1.00 0.00 C ATOM 1723 C ALA A 113 9.535 0.538 7.499 1.00 0.00 C ATOM 1724 O ALA A 113 9.651 -0.563 8.034 1.00 0.00 O ATOM 1725 CB ALA A 113 10.561 2.663 8.257 1.00 0.00 C ATOM 0 H ALA A 113 10.721 2.947 5.846 1.00 0.00 H new ATOM 0 HA ALA A 113 11.638 0.938 7.574 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.511 2.316 9.289 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.414 3.332 8.140 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.644 3.198 8.009 1.00 0.00 H new ATOM 1731 N LEU A 114 8.391 1.027 7.055 1.00 0.00 N ATOM 1732 CA LEU A 114 7.137 0.304 7.152 1.00 0.00 C ATOM 1733 C LEU A 114 7.014 -0.820 6.119 1.00 0.00 C ATOM 1734 O LEU A 114 6.223 -1.742 6.305 1.00 0.00 O ATOM 1735 CB LEU A 114 5.993 1.297 6.985 1.00 0.00 C ATOM 1736 CG LEU A 114 4.606 0.804 7.392 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.566 0.407 8.860 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.589 1.889 7.112 1.00 0.00 C ATOM 0 H LEU A 114 8.306 1.943 6.614 1.00 0.00 H new ATOM 0 HA LEU A 114 7.099 -0.174 8.131 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.225 2.188 7.569 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.955 1.602 5.939 1.00 0.00 H new ATOM 0 HG LEU A 114 4.367 -0.084 6.807 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.565 0.061 9.116 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.284 -0.393 9.040 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.821 1.269 9.477 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.597 1.541 7.401 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.842 2.781 7.685 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.594 2.127 6.048 1.00 0.00 H new ATOM 1750 N VAL A 115 7.782 -0.748 5.032 1.00 0.00 N ATOM 1751 CA VAL A 115 7.705 -1.784 3.999 1.00 0.00 C ATOM 1752 C VAL A 115 8.488 -3.034 4.395 1.00 0.00 C ATOM 1753 O VAL A 115 7.978 -4.149 4.301 1.00 0.00 O ATOM 1754 CB VAL A 115 8.185 -1.294 2.608 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.698 -1.181 2.545 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.687 -2.228 1.512 1.00 0.00 C ATOM 0 H VAL A 115 8.451 -0.001 4.844 1.00 0.00 H new ATOM 0 HA VAL A 115 6.647 -2.032 3.917 1.00 0.00 H new ATOM 0 HB VAL A 115 7.766 -0.300 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.996 -0.835 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 115 10.041 -0.470 3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 115 10.144 -2.157 2.738 1.00 0.00 H new ATOM 0 HG21 VAL A 115 8.033 -1.869 0.543 1.00 0.00 H new ATOM 0 HG22 VAL A 115 8.074 -3.232 1.686 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.597 -2.252 1.522 1.00 0.00 H new ATOM 1766 N GLU A 116 9.728 -2.845 4.830 1.00 0.00 N ATOM 1767 CA GLU A 116 10.569 -3.967 5.226 1.00 0.00 C ATOM 1768 C GLU A 116 9.959 -4.722 6.397 1.00 0.00 C ATOM 1769 O GLU A 116 9.798 -5.939 6.344 1.00 0.00 O ATOM 1770 CB GLU A 116 11.970 -3.481 5.593 1.00 0.00 C ATOM 1771 CG GLU A 116 12.819 -3.115 4.388 1.00 0.00 C ATOM 1772 CD GLU A 116 14.271 -2.889 4.751 1.00 0.00 C ATOM 1773 OE1 GLU A 116 14.541 -2.512 5.910 1.00 0.00 O ATOM 1774 OE2 GLU A 116 15.140 -3.088 3.876 1.00 0.00 O ATOM 0 H GLU A 116 10.171 -1.930 4.917 1.00 0.00 H new ATOM 0 HA GLU A 116 10.639 -4.647 4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.885 -2.612 6.245 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.478 -4.259 6.163 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.753 -3.910 3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 116 12.418 -2.213 3.926 1.00 0.00 H new ATOM 1781 N ARG A 117 9.620 -3.995 7.455 1.00 0.00 N ATOM 1782 CA ARG A 117 9.028 -4.610 8.634 1.00 0.00 C ATOM 1783 C ARG A 117 7.704 -5.283 8.286 1.00 0.00 C ATOM 1784 O ARG A 117 7.270 -6.209 8.970 1.00 0.00 O ATOM 1785 CB ARG A 117 8.825 -3.571 9.738 1.00 0.00 C ATOM 1786 CG ARG A 117 7.877 -2.449 9.355 1.00 0.00 C ATOM 1787 CD ARG A 117 6.533 -2.595 10.048 1.00 0.00 C ATOM 1788 NE ARG A 117 6.596 -2.236 11.466 1.00 0.00 N ATOM 1789 CZ ARG A 117 6.834 -1.005 11.922 1.00 0.00 C ATOM 1790 NH1 ARG A 117 7.017 0.009 11.084 1.00 0.00 N ATOM 1791 NH2 ARG A 117 6.882 -0.787 13.230 1.00 0.00 N ATOM 0 H ARG A 117 9.744 -2.985 7.520 1.00 0.00 H new ATOM 0 HA ARG A 117 9.715 -5.374 9.000 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.442 -4.070 10.628 1.00 0.00 H new ATOM 0 HB3 ARG A 117 9.792 -3.143 10.004 1.00 0.00 H new ATOM 0 HG2 ARG A 117 8.322 -1.490 9.619 1.00 0.00 H new ATOM 0 HG3 ARG A 117 7.732 -2.446 8.275 1.00 0.00 H new ATOM 0 HD2 ARG A 117 5.799 -1.963 9.548 1.00 0.00 H new ATOM 0 HD3 ARG A 117 6.187 -3.624 9.951 1.00 0.00 H new ATOM 0 HE ARG A 117 6.448 -2.977 12.151 1.00 0.00 H new ATOM 0 HH11 ARG A 117 6.976 -0.148 10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 117 7.198 0.945 11.447 1.00 0.00 H new ATOM 0 HH21 ARG A 117 6.737 -1.559 13.881 1.00 0.00 H new ATOM 0 HH22 ARG A 117 7.064 0.152 13.584 1.00 0.00 H new ATOM 1805 N ALA A 118 7.066 -4.814 7.219 1.00 0.00 N ATOM 1806 CA ALA A 118 5.796 -5.376 6.778 1.00 0.00 C ATOM 1807 C ALA A 118 5.993 -6.726 6.105 1.00 0.00 C ATOM 1808 O ALA A 118 5.370 -7.718 6.482 1.00 0.00 O ATOM 1809 CB ALA A 118 5.078 -4.420 5.838 1.00 0.00 C ATOM 0 H ALA A 118 7.409 -4.045 6.643 1.00 0.00 H new ATOM 0 HA ALA A 118 5.178 -5.524 7.663 1.00 0.00 H new ATOM 0 HB1 ALA A 118 4.133 -4.862 5.522 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.885 -3.479 6.354 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.701 -4.233 4.963 1.00 0.00 H new ATOM 1815 N ILE A 119 6.868 -6.757 5.106 1.00 0.00 N ATOM 1816 CA ILE A 119 7.152 -7.985 4.382 1.00 0.00 C ATOM 1817 C ILE A 119 7.876 -8.976 5.279 1.00 0.00 C ATOM 1818 O ILE A 119 7.721 -10.189 5.143 1.00 0.00 O ATOM 1819 CB ILE A 119 8.007 -7.706 3.133 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.409 -6.556 2.322 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.131 -8.955 2.274 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.455 -5.657 1.706 1.00 0.00 C ATOM 0 H ILE A 119 7.392 -5.944 4.781 1.00 0.00 H new ATOM 0 HA ILE A 119 6.200 -8.411 4.067 1.00 0.00 H new ATOM 0 HB ILE A 119 9.006 -7.417 3.460 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.780 -6.966 1.532 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.763 -5.962 2.968 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.739 -8.734 1.397 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.603 -9.749 2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.140 -9.278 1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 119 7.966 -4.861 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.069 -5.220 2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.086 -6.240 1.035 1.00 0.00 H new ATOM 1834 N SER A 120 8.663 -8.442 6.202 1.00 0.00 N ATOM 1835 CA SER A 120 9.416 -9.260 7.139 1.00 0.00 C ATOM 1836 C SER A 120 8.473 -10.005 8.075 1.00 0.00 C ATOM 1837 O SER A 120 8.650 -11.196 8.331 1.00 0.00 O ATOM 1838 CB SER A 120 10.375 -8.390 7.953 1.00 0.00 C ATOM 1839 OG SER A 120 9.695 -7.726 9.004 1.00 0.00 O ATOM 0 H SER A 120 8.796 -7.438 6.321 1.00 0.00 H new ATOM 0 HA SER A 120 9.994 -9.988 6.570 1.00 0.00 H new ATOM 0 HB2 SER A 120 11.172 -9.009 8.365 1.00 0.00 H new ATOM 0 HB3 SER A 120 10.847 -7.656 7.300 1.00 0.00 H new ATOM 0 HG SER A 120 10.341 -7.446 9.686 1.00 0.00 H new ATOM 1845 N HIS A 121 7.469 -9.295 8.582 1.00 0.00 N ATOM 1846 CA HIS A 121 6.495 -9.890 9.491 1.00 0.00 C ATOM 1847 C HIS A 121 5.528 -10.790 8.732 1.00 0.00 C ATOM 1848 O HIS A 121 5.002 -11.759 9.279 1.00 0.00 O ATOM 1849 CB HIS A 121 5.722 -8.799 10.233 1.00 0.00 C ATOM 1850 CG HIS A 121 6.396 -8.330 11.488 1.00 0.00 C ATOM 1851 ND1 HIS A 121 6.622 -6.999 11.767 1.00 0.00 N ATOM 1852 CD2 HIS A 121 6.897 -9.023 12.541 1.00 0.00 C ATOM 1853 CE1 HIS A 121 7.234 -6.891 12.933 1.00 0.00 C ATOM 1854 NE2 HIS A 121 7.411 -8.104 13.423 1.00 0.00 N ATOM 0 H HIS A 121 7.309 -8.308 8.379 1.00 0.00 H new ATOM 0 HA HIS A 121 7.035 -10.496 10.218 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.582 -7.948 9.566 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.730 -9.175 10.483 1.00 0.00 H new ATOM 0 HD1 HIS A 121 6.358 -6.218 11.166 1.00 0.00 H new ATOM 0 HD2 HIS A 121 6.893 -10.096 12.663 1.00 0.00 H new ATOM 0 HE1 HIS A 121 7.538 -5.968 13.405 1.00 0.00 H new ATOM 1863 N TYR A 122 5.305 -10.461 7.467 1.00 0.00 N ATOM 1864 CA TYR A 122 4.408 -11.234 6.621 1.00 0.00 C ATOM 1865 C TYR A 122 5.093 -12.509 6.137 1.00 0.00 C ATOM 1866 O TYR A 122 4.604 -13.615 6.368 1.00 0.00 O ATOM 1867 CB TYR A 122 3.955 -10.396 5.425 1.00 0.00 C ATOM 1868 CG TYR A 122 2.833 -11.027 4.632 1.00 0.00 C ATOM 1869 CD1 TYR A 122 1.696 -11.521 5.263 1.00 0.00 C ATOM 1870 CD2 TYR A 122 2.913 -11.130 3.250 1.00 0.00 C ATOM 1871 CE1 TYR A 122 0.673 -12.102 4.536 1.00 0.00 C ATOM 1872 CE2 TYR A 122 1.895 -11.707 2.517 1.00 0.00 C ATOM 1873 CZ TYR A 122 0.778 -12.191 3.163 1.00 0.00 C ATOM 1874 OH TYR A 122 -0.235 -12.770 2.434 1.00 0.00 O ATOM 0 H TYR A 122 5.735 -9.661 7.003 1.00 0.00 H new ATOM 0 HA TYR A 122 3.534 -11.511 7.210 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.632 -9.417 5.780 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.806 -10.231 4.765 1.00 0.00 H new ATOM 0 HD1 TYR A 122 1.611 -11.450 6.337 1.00 0.00 H new ATOM 0 HD2 TYR A 122 3.786 -10.752 2.739 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -0.203 -12.484 5.040 1.00 0.00 H new ATOM 0 HE2 TYR A 122 1.974 -11.779 1.442 1.00 0.00 H new ATOM 0 HH TYR A 122 -0.004 -12.752 1.482 1.00 0.00 H new ATOM 1884 N GLN A 123 6.229 -12.344 5.466 1.00 0.00 N ATOM 1885 CA GLN A 123 6.989 -13.472 4.950 1.00 0.00 C ATOM 1886 C GLN A 123 7.832 -14.108 6.052 1.00 0.00 C ATOM 1887 O GLN A 123 7.920 -13.582 7.161 1.00 0.00 O ATOM 1888 CB GLN A 123 7.886 -13.021 3.795 1.00 0.00 C ATOM 1889 CG GLN A 123 8.188 -14.122 2.790 1.00 0.00 C ATOM 1890 CD GLN A 123 7.618 -13.833 1.415 1.00 0.00 C ATOM 1891 OE1 GLN A 123 8.104 -12.957 0.700 1.00 0.00 O ATOM 1892 NE2 GLN A 123 6.581 -14.573 1.038 1.00 0.00 N ATOM 0 H GLN A 123 6.643 -11.433 5.267 1.00 0.00 H new ATOM 0 HA GLN A 123 6.285 -14.219 4.582 1.00 0.00 H new ATOM 0 HB2 GLN A 123 7.407 -12.190 3.277 1.00 0.00 H new ATOM 0 HB3 GLN A 123 8.825 -12.644 4.201 1.00 0.00 H new ATOM 0 HG2 GLN A 123 9.268 -14.250 2.711 1.00 0.00 H new ATOM 0 HG3 GLN A 123 7.781 -15.064 3.157 1.00 0.00 H new ATOM 0 HE21 GLN A 123 6.211 -15.288 1.664 1.00 0.00 H new ATOM 0 HE22 GLN A 123 6.155 -14.426 0.123 1.00 0.00 H new ATOM 1901 N GLU A 124 8.451 -15.243 5.740 1.00 0.00 N ATOM 1902 CA GLU A 124 9.284 -15.948 6.707 1.00 0.00 C ATOM 1903 C GLU A 124 10.430 -16.675 6.010 1.00 0.00 C ATOM 1904 O GLU A 124 11.602 -16.374 6.241 1.00 0.00 O ATOM 1905 CB GLU A 124 8.439 -16.941 7.507 1.00 0.00 C ATOM 1906 CG GLU A 124 8.523 -16.736 9.009 1.00 0.00 C ATOM 1907 CD GLU A 124 9.942 -16.847 9.532 1.00 0.00 C ATOM 1908 OE1 GLU A 124 10.450 -17.984 9.631 1.00 0.00 O ATOM 1909 OE2 GLU A 124 10.545 -15.798 9.840 1.00 0.00 O ATOM 0 H GLU A 124 8.391 -15.693 4.827 1.00 0.00 H new ATOM 0 HA GLU A 124 9.710 -15.213 7.390 1.00 0.00 H new ATOM 0 HB2 GLU A 124 7.398 -16.855 7.194 1.00 0.00 H new ATOM 0 HB3 GLU A 124 8.761 -17.955 7.268 1.00 0.00 H new ATOM 0 HG2 GLU A 124 8.122 -15.754 9.261 1.00 0.00 H new ATOM 0 HG3 GLU A 124 7.896 -17.475 9.509 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -1.943 11.461 -0.105 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -3.218 11.905 -0.728 1.00 0.00 F HETATM 1919 F2 BEF A 125 -0.938 12.549 -0.207 1.00 0.00 F HETATM 1920 F3 BEF A 125 -2.172 11.133 1.327 1.00 0.00 F