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=-0.00338 X(o=0.13,f=0.14) USER MOD Set 1.2: A 71 GLN : amide:sc= 0.134 X(o=0.13,f=-0.17) USER MOD Set 2.1: A 1 MET N :NH3+ -160:sc= 0.0574 (180deg=0) USER MOD Set 2.2: A 2 GLN : amide:sc= 0.0242 X(o=0.082,f=-0.11) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) 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 110:sc= -2.03 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 32 THR OG1 : rot 90:sc= -4.59! USER MOD Single : A 35 ASN :FLIP amide:sc= -3.55 F(o=-4.4,f=-3.5) USER MOD Single : A 37 ASN :FLIP amide:sc= -0.092 F(o=-0.59,f=-0.092) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= -0.306 (180deg=-0.326) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= -0.0987 USER MOD Single : A 57 MET CE :methyl -112:sc= -0.165 (180deg=-1.43!) USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= -14.1! C(o=-14!,f=-18!) USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -162:sc= -13.8! (180deg=-15.7!) USER MOD Single : A 82 THR OG1 : rot 146:sc= -1.33 USER MOD Single : A 84 HIS :FLIP no HD1:sc= -0.742 F(o=-1.6,f=-0.74) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot -81:sc= 1.26 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 GLN :FLIP amide:sc= -2.13! C(o=-3.7!,f=-2.1!) USER MOD Single : A 96 GLN : amide:sc= -4.34 K(o=-4.3,f=-14!) USER MOD Single : A 101 TYR OH : rot 30:sc= -1.73 USER MOD Single : A 104 LYS NZ :NH3+ -146:sc= 1.23 (180deg=-0.53) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 121 HIS : no HE2:sc= -0.0115 K(o=-0.011,f=-2.1) USER MOD Single : A 122 TYR OH : rot 105:sc= 1.24 USER MOD Single : A 123 GLN : amide:sc=-0.00743 X(o=-0.0074,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.961 -18.263 -1.590 1.00 0.00 N ATOM 2 CA MET A 1 12.123 -17.570 -2.902 1.00 0.00 C ATOM 3 C MET A 1 10.888 -16.743 -3.247 1.00 0.00 C ATOM 4 O MET A 1 9.904 -17.269 -3.769 1.00 0.00 O ATOM 5 CB MET A 1 12.374 -18.617 -3.996 1.00 0.00 C ATOM 6 CG MET A 1 13.510 -18.252 -4.937 1.00 0.00 C ATOM 7 SD MET A 1 15.063 -19.055 -4.495 1.00 0.00 S ATOM 8 CE MET A 1 16.088 -18.598 -5.891 1.00 0.00 C ATOM 0 H1 MET A 1 12.896 -18.529 -1.220 1.00 0.00 H new ATOM 0 H2 MET A 1 11.490 -17.625 -0.916 1.00 0.00 H new ATOM 0 H3 MET A 1 11.384 -19.118 -1.718 1.00 0.00 H new ATOM 0 HA MET A 1 12.972 -16.890 -2.835 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.596 -19.575 -3.526 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.461 -18.750 -4.576 1.00 0.00 H new ATOM 0 HG2 MET A 1 13.238 -18.532 -5.955 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.649 -17.171 -4.930 1.00 0.00 H new ATOM 0 HE1 MET A 1 17.085 -19.021 -5.765 1.00 0.00 H new ATOM 0 HE2 MET A 1 15.644 -18.982 -6.809 1.00 0.00 H new ATOM 0 HE3 MET A 1 16.160 -17.512 -5.950 1.00 0.00 H new ATOM 20 N GLN A 2 10.944 -15.449 -2.953 1.00 0.00 N ATOM 21 CA GLN A 2 9.826 -14.555 -3.234 1.00 0.00 C ATOM 22 C GLN A 2 10.195 -13.534 -4.305 1.00 0.00 C ATOM 23 O GLN A 2 11.260 -12.918 -4.251 1.00 0.00 O ATOM 24 CB GLN A 2 9.387 -13.832 -1.960 1.00 0.00 C ATOM 25 CG GLN A 2 8.901 -14.767 -0.865 1.00 0.00 C ATOM 26 CD GLN A 2 9.939 -14.979 0.219 1.00 0.00 C ATOM 27 OE1 GLN A 2 10.458 -16.083 0.391 1.00 0.00 O ATOM 28 NE2 GLN A 2 10.247 -13.920 0.958 1.00 0.00 N ATOM 0 H GLN A 2 11.749 -14.996 -2.521 1.00 0.00 H new ATOM 0 HA GLN A 2 9.000 -15.162 -3.605 1.00 0.00 H new ATOM 0 HB2 GLN A 2 10.223 -13.244 -1.580 1.00 0.00 H new ATOM 0 HB3 GLN A 2 8.590 -13.130 -2.207 1.00 0.00 H new ATOM 0 HG2 GLN A 2 7.993 -14.359 -0.420 1.00 0.00 H new ATOM 0 HG3 GLN A 2 8.637 -15.729 -1.304 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.792 -13.024 0.780 1.00 0.00 H new ATOM 0 HE22 GLN A 2 10.939 -14.002 1.703 1.00 0.00 H new ATOM 37 N ARG A 3 9.303 -13.357 -5.274 1.00 0.00 N ATOM 38 CA ARG A 3 9.524 -12.408 -6.361 1.00 0.00 C ATOM 39 C ARG A 3 9.777 -11.004 -5.816 1.00 0.00 C ATOM 40 O ARG A 3 10.388 -10.169 -6.480 1.00 0.00 O ATOM 41 CB ARG A 3 8.318 -12.398 -7.304 1.00 0.00 C ATOM 42 CG ARG A 3 8.455 -11.427 -8.465 1.00 0.00 C ATOM 43 CD ARG A 3 7.637 -11.877 -9.664 1.00 0.00 C ATOM 44 NE ARG A 3 8.335 -11.630 -10.925 1.00 0.00 N ATOM 45 CZ ARG A 3 8.401 -12.504 -11.929 1.00 0.00 C ATOM 46 NH1 ARG A 3 7.807 -13.689 -11.838 1.00 0.00 N ATOM 47 NH2 ARG A 3 9.064 -12.190 -13.034 1.00 0.00 N ATOM 0 H ARG A 3 8.417 -13.860 -5.329 1.00 0.00 H new ATOM 0 HA ARG A 3 10.408 -12.723 -6.916 1.00 0.00 H new ATOM 0 HB2 ARG A 3 8.169 -13.403 -7.699 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.425 -12.144 -6.734 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.129 -10.435 -8.152 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.504 -11.343 -8.749 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.416 -12.941 -9.574 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.682 -11.352 -9.669 1.00 0.00 H new ATOM 0 HE ARG A 3 8.801 -10.731 -11.044 1.00 0.00 H new ATOM 0 HH11 ARG A 3 7.293 -13.938 -10.993 1.00 0.00 H new ATOM 0 HH12 ARG A 3 7.865 -14.349 -12.613 1.00 0.00 H new ATOM 0 HH21 ARG A 3 9.522 -11.282 -13.114 1.00 0.00 H new ATOM 0 HH22 ARG A 3 9.116 -12.857 -13.804 1.00 0.00 H new ATOM 61 N GLY A 4 9.304 -10.756 -4.600 1.00 0.00 N ATOM 62 CA GLY A 4 9.490 -9.459 -3.978 1.00 0.00 C ATOM 63 C GLY A 4 8.945 -8.320 -4.819 1.00 0.00 C ATOM 64 O GLY A 4 9.702 -7.608 -5.480 1.00 0.00 O ATOM 0 H GLY A 4 8.793 -11.433 -4.032 1.00 0.00 H new ATOM 0 HA2 GLY A 4 8.998 -9.454 -3.005 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.553 -9.296 -3.799 1.00 0.00 H new ATOM 68 N ILE A 5 7.629 -8.146 -4.790 1.00 0.00 N ATOM 69 CA ILE A 5 6.974 -7.084 -5.547 1.00 0.00 C ATOM 70 C ILE A 5 6.297 -6.094 -4.608 1.00 0.00 C ATOM 71 O ILE A 5 5.392 -6.462 -3.858 1.00 0.00 O ATOM 72 CB ILE A 5 5.911 -7.646 -6.509 1.00 0.00 C ATOM 73 CG1 ILE A 5 6.437 -8.890 -7.223 1.00 0.00 C ATOM 74 CG2 ILE A 5 5.479 -6.590 -7.516 1.00 0.00 C ATOM 75 CD1 ILE A 5 5.978 -10.181 -6.583 1.00 0.00 C ATOM 0 H ILE A 5 6.991 -8.729 -4.248 1.00 0.00 H new ATOM 0 HA ILE A 5 7.751 -6.583 -6.125 1.00 0.00 H new ATOM 0 HB ILE A 5 5.038 -7.931 -5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.110 -8.870 -8.262 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.527 -8.863 -7.231 1.00 0.00 H new ATOM 0 HG21 ILE A 5 4.728 -7.011 -8.185 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.057 -5.735 -6.988 1.00 0.00 H new ATOM 0 HG23 ILE A 5 6.342 -6.267 -8.098 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.385 -11.027 -7.137 1.00 0.00 H new ATOM 0 HD12 ILE A 5 6.328 -10.220 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.889 -10.228 -6.599 1.00 0.00 H new ATOM 87 N VAL A 6 6.724 -4.837 -4.656 1.00 0.00 N ATOM 88 CA VAL A 6 6.133 -3.806 -3.810 1.00 0.00 C ATOM 89 C VAL A 6 5.450 -2.739 -4.655 1.00 0.00 C ATOM 90 O VAL A 6 6.072 -2.136 -5.526 1.00 0.00 O ATOM 91 CB VAL A 6 7.176 -3.122 -2.900 1.00 0.00 C ATOM 92 CG1 VAL A 6 8.281 -2.490 -3.728 1.00 0.00 C ATOM 93 CG2 VAL A 6 6.497 -2.087 -2.018 1.00 0.00 C ATOM 0 H VAL A 6 7.472 -4.509 -5.267 1.00 0.00 H new ATOM 0 HA VAL A 6 5.402 -4.311 -3.179 1.00 0.00 H new ATOM 0 HB VAL A 6 7.632 -3.877 -2.260 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.005 -2.014 -3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 6 8.780 -3.260 -4.317 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.853 -1.742 -4.396 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.240 -1.609 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 6 6.018 -1.334 -2.644 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.745 -2.575 -1.398 1.00 0.00 H new ATOM 103 N TRP A 7 4.168 -2.510 -4.397 1.00 0.00 N ATOM 104 CA TRP A 7 3.406 -1.512 -5.141 1.00 0.00 C ATOM 105 C TRP A 7 2.959 -0.378 -4.219 1.00 0.00 C ATOM 106 O TRP A 7 2.445 -0.618 -3.127 1.00 0.00 O ATOM 107 CB TRP A 7 2.208 -2.178 -5.827 1.00 0.00 C ATOM 108 CG TRP A 7 2.609 -3.025 -7.004 1.00 0.00 C ATOM 109 CD1 TRP A 7 3.882 -3.335 -7.390 1.00 0.00 C ATOM 110 CD2 TRP A 7 1.741 -3.671 -7.947 1.00 0.00 C ATOM 111 NE1 TRP A 7 3.862 -4.122 -8.510 1.00 0.00 N ATOM 112 CE2 TRP A 7 2.562 -4.346 -8.871 1.00 0.00 C ATOM 113 CE3 TRP A 7 0.354 -3.744 -8.102 1.00 0.00 C ATOM 114 CZ2 TRP A 7 2.043 -5.083 -9.930 1.00 0.00 C ATOM 115 CZ3 TRP A 7 -0.160 -4.478 -9.157 1.00 0.00 C ATOM 116 CH2 TRP A 7 0.685 -5.138 -10.057 1.00 0.00 C ATOM 0 H TRP A 7 3.634 -3.000 -3.680 1.00 0.00 H new ATOM 0 HA TRP A 7 4.044 -1.077 -5.910 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.678 -2.797 -5.103 1.00 0.00 H new ATOM 0 HB3 TRP A 7 1.511 -1.409 -6.159 1.00 0.00 H new ATOM 0 HD1 TRP A 7 4.777 -3.006 -6.884 1.00 0.00 H new ATOM 0 HE1 TRP A 7 4.683 -4.483 -8.996 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -0.304 -3.237 -7.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.691 -5.594 -10.627 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.230 -4.543 -9.288 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.253 -5.703 -10.870 1.00 0.00 H new ATOM 127 N VAL A 8 3.193 0.859 -4.654 1.00 0.00 N ATOM 128 CA VAL A 8 2.850 2.038 -3.854 1.00 0.00 C ATOM 129 C VAL A 8 1.881 2.962 -4.592 1.00 0.00 C ATOM 130 O VAL A 8 2.020 3.190 -5.790 1.00 0.00 O ATOM 131 CB VAL A 8 4.121 2.857 -3.506 1.00 0.00 C ATOM 132 CG1 VAL A 8 4.011 3.507 -2.134 1.00 0.00 C ATOM 133 CG2 VAL A 8 5.372 1.992 -3.597 1.00 0.00 C ATOM 0 H VAL A 8 3.619 1.073 -5.556 1.00 0.00 H new ATOM 0 HA VAL A 8 2.376 1.668 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 8 4.205 3.655 -4.243 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.919 4.072 -1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.154 4.180 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 8 3.881 2.735 -1.375 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.248 2.591 -3.348 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.291 1.160 -2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 8 5.474 1.605 -4.611 1.00 0.00 H new ATOM 143 N VAL A 9 0.911 3.511 -3.870 1.00 0.00 N ATOM 144 CA VAL A 9 -0.053 4.429 -4.478 1.00 0.00 C ATOM 145 C VAL A 9 -0.116 5.746 -3.710 1.00 0.00 C ATOM 146 O VAL A 9 -0.686 5.806 -2.620 1.00 0.00 O ATOM 147 CB VAL A 9 -1.475 3.826 -4.563 1.00 0.00 C ATOM 148 CG1 VAL A 9 -2.093 4.123 -5.922 1.00 0.00 C ATOM 149 CG2 VAL A 9 -1.441 2.332 -4.304 1.00 0.00 C ATOM 0 H VAL A 9 0.769 3.341 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 9 0.302 4.610 -5.493 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.093 4.288 -3.793 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.094 3.693 -5.968 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.155 5.202 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.474 3.687 -6.706 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.451 1.928 -4.369 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.809 1.848 -5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.038 2.144 -3.309 1.00 0.00 H new ATOM 159 N ASP A 10 0.469 6.797 -4.295 1.00 0.00 N ATOM 160 CA ASP A 10 0.478 8.123 -3.675 1.00 0.00 C ATOM 161 C ASP A 10 1.320 9.114 -4.474 1.00 0.00 C ATOM 162 O ASP A 10 2.547 9.068 -4.436 1.00 0.00 O ATOM 163 CB ASP A 10 1.021 8.061 -2.247 1.00 0.00 C ATOM 164 CG ASP A 10 0.740 9.335 -1.472 1.00 0.00 C ATOM 165 OD1 ASP A 10 0.442 10.364 -2.115 1.00 0.00 O ATOM 166 OD2 ASP A 10 0.819 9.309 -0.225 1.00 0.00 O ATOM 0 H ASP A 10 0.942 6.753 -5.198 1.00 0.00 H new ATOM 0 HA ASP A 10 -0.557 8.464 -3.660 1.00 0.00 H new ATOM 0 HB2 ASP A 10 0.573 7.215 -1.726 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.096 7.885 -2.276 1.00 0.00 H new ATOM 171 N ASP A 11 0.650 10.019 -5.178 1.00 0.00 N ATOM 172 CA ASP A 11 1.320 11.052 -5.971 1.00 0.00 C ATOM 173 C ASP A 11 2.119 10.482 -7.145 1.00 0.00 C ATOM 174 O ASP A 11 2.498 11.226 -8.050 1.00 0.00 O ATOM 175 CB ASP A 11 2.240 11.889 -5.076 1.00 0.00 C ATOM 176 CG ASP A 11 1.859 13.357 -5.071 1.00 0.00 C ATOM 177 OD1 ASP A 11 2.247 14.074 -6.017 1.00 0.00 O ATOM 178 OD2 ASP A 11 1.170 13.789 -4.122 1.00 0.00 O ATOM 0 H ASP A 11 -0.368 10.061 -5.218 1.00 0.00 H new ATOM 0 HA ASP A 11 0.535 11.679 -6.394 1.00 0.00 H new ATOM 0 HB2 ASP A 11 2.202 11.503 -4.057 1.00 0.00 H new ATOM 0 HB3 ASP A 11 3.270 11.784 -5.418 1.00 0.00 H new ATOM 183 N ASP A 12 2.380 9.174 -7.134 1.00 0.00 N ATOM 184 CA ASP A 12 3.139 8.534 -8.207 1.00 0.00 C ATOM 185 C ASP A 12 4.370 9.370 -8.585 1.00 0.00 C ATOM 186 O ASP A 12 4.864 10.147 -7.770 1.00 0.00 O ATOM 187 CB ASP A 12 2.232 8.304 -9.423 1.00 0.00 C ATOM 188 CG ASP A 12 1.794 9.596 -10.085 1.00 0.00 C ATOM 189 OD1 ASP A 12 2.661 10.303 -10.639 1.00 0.00 O ATOM 190 OD2 ASP A 12 0.583 9.900 -10.048 1.00 0.00 O ATOM 0 H ASP A 12 2.077 8.539 -6.395 1.00 0.00 H new ATOM 0 HA ASP A 12 3.497 7.567 -7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 12 2.759 7.689 -10.152 1.00 0.00 H new ATOM 0 HB3 ASP A 12 1.350 7.744 -9.112 1.00 0.00 H new ATOM 195 N SER A 13 4.849 9.209 -9.823 1.00 0.00 N ATOM 196 CA SER A 13 6.009 9.945 -10.332 1.00 0.00 C ATOM 197 C SER A 13 7.026 10.295 -9.240 1.00 0.00 C ATOM 198 O SER A 13 7.956 9.533 -8.983 1.00 0.00 O ATOM 199 CB SER A 13 5.533 11.196 -11.061 1.00 0.00 C ATOM 200 OG SER A 13 6.457 11.590 -12.060 1.00 0.00 O ATOM 0 H SER A 13 4.442 8.564 -10.500 1.00 0.00 H new ATOM 0 HA SER A 13 6.536 9.291 -11.027 1.00 0.00 H new ATOM 0 HB2 SER A 13 4.561 11.007 -11.516 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.398 12.008 -10.346 1.00 0.00 H new ATOM 0 HG SER A 13 6.126 12.394 -12.513 1.00 0.00 H new ATOM 206 N SER A 14 6.849 11.447 -8.604 1.00 0.00 N ATOM 207 CA SER A 14 7.758 11.880 -7.547 1.00 0.00 C ATOM 208 C SER A 14 7.875 10.808 -6.473 1.00 0.00 C ATOM 209 O SER A 14 8.967 10.312 -6.191 1.00 0.00 O ATOM 210 CB SER A 14 7.276 13.192 -6.928 1.00 0.00 C ATOM 211 OG SER A 14 7.527 14.285 -7.794 1.00 0.00 O ATOM 0 H SER A 14 6.088 12.097 -8.800 1.00 0.00 H new ATOM 0 HA SER A 14 8.741 12.043 -7.988 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.208 13.128 -6.717 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.780 13.355 -5.975 1.00 0.00 H new ATOM 0 HG SER A 14 7.208 15.113 -7.377 1.00 0.00 H new ATOM 217 N ILE A 15 6.741 10.437 -5.892 1.00 0.00 N ATOM 218 CA ILE A 15 6.717 9.407 -4.865 1.00 0.00 C ATOM 219 C ILE A 15 7.245 8.086 -5.430 1.00 0.00 C ATOM 220 O ILE A 15 7.673 7.203 -4.688 1.00 0.00 O ATOM 221 CB ILE A 15 5.286 9.221 -4.297 1.00 0.00 C ATOM 222 CG1 ILE A 15 4.798 10.532 -3.672 1.00 0.00 C ATOM 223 CG2 ILE A 15 5.240 8.094 -3.270 1.00 0.00 C ATOM 224 CD1 ILE A 15 5.571 10.938 -2.438 1.00 0.00 C ATOM 0 H ILE A 15 5.828 10.834 -6.115 1.00 0.00 H new ATOM 0 HA ILE A 15 7.364 9.724 -4.047 1.00 0.00 H new ATOM 0 HB ILE A 15 4.625 8.948 -5.120 1.00 0.00 H new ATOM 0 HG12 ILE A 15 4.870 11.327 -4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.744 10.431 -3.414 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.224 7.989 -2.891 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.550 7.161 -3.740 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.913 8.326 -2.445 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.171 11.875 -2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 15 5.478 10.161 -1.679 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.622 11.071 -2.694 1.00 0.00 H new ATOM 236 N ARG A 16 7.219 7.965 -6.757 1.00 0.00 N ATOM 237 CA ARG A 16 7.696 6.761 -7.431 1.00 0.00 C ATOM 238 C ARG A 16 9.221 6.712 -7.493 1.00 0.00 C ATOM 239 O ARG A 16 9.844 5.788 -6.969 1.00 0.00 O ATOM 240 CB ARG A 16 7.130 6.694 -8.850 1.00 0.00 C ATOM 241 CG ARG A 16 7.398 5.370 -9.549 1.00 0.00 C ATOM 242 CD ARG A 16 7.016 5.425 -11.019 1.00 0.00 C ATOM 243 NE ARG A 16 6.335 4.204 -11.446 1.00 0.00 N ATOM 244 CZ ARG A 16 6.816 3.351 -12.352 1.00 0.00 C ATOM 245 NH1 ARG A 16 7.980 3.575 -12.949 1.00 0.00 N ATOM 246 NH2 ARG A 16 6.123 2.264 -12.660 1.00 0.00 N ATOM 0 H ARG A 16 6.872 8.689 -7.386 1.00 0.00 H new ATOM 0 HA ARG A 16 7.351 5.905 -6.851 1.00 0.00 H new ATOM 0 HB2 ARG A 16 6.054 6.864 -8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 16 7.560 7.502 -9.442 1.00 0.00 H new ATOM 0 HG2 ARG A 16 8.454 5.116 -9.456 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.835 4.577 -9.056 1.00 0.00 H new ATOM 0 HD2 ARG A 16 6.368 6.284 -11.195 1.00 0.00 H new ATOM 0 HD3 ARG A 16 7.912 5.572 -11.623 1.00 0.00 H new ATOM 0 HE ARG A 16 5.432 3.990 -11.023 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.520 4.409 -12.717 1.00 0.00 H new ATOM 0 HH12 ARG A 16 8.335 2.913 -13.640 1.00 0.00 H new ATOM 0 HH21 ARG A 16 5.228 2.084 -12.205 1.00 0.00 H new ATOM 0 HH22 ARG A 16 6.485 1.608 -13.352 1.00 0.00 H new ATOM 260 N TRP A 17 9.813 7.700 -8.153 1.00 0.00 N ATOM 261 CA TRP A 17 11.265 7.767 -8.311 1.00 0.00 C ATOM 262 C TRP A 17 12.001 7.484 -7.005 1.00 0.00 C ATOM 263 O TRP A 17 13.012 6.780 -6.994 1.00 0.00 O ATOM 264 CB TRP A 17 11.679 9.142 -8.835 1.00 0.00 C ATOM 265 CG TRP A 17 13.147 9.247 -9.112 1.00 0.00 C ATOM 266 CD1 TRP A 17 13.814 8.742 -10.190 1.00 0.00 C ATOM 267 CD2 TRP A 17 14.131 9.892 -8.295 1.00 0.00 C ATOM 268 NE1 TRP A 17 15.152 9.037 -10.096 1.00 0.00 N ATOM 269 CE2 TRP A 17 15.372 9.742 -8.943 1.00 0.00 C ATOM 270 CE3 TRP A 17 14.084 10.583 -7.082 1.00 0.00 C ATOM 271 CZ2 TRP A 17 16.554 10.259 -8.417 1.00 0.00 C ATOM 272 CZ3 TRP A 17 15.257 11.094 -6.560 1.00 0.00 C ATOM 273 CH2 TRP A 17 16.478 10.932 -7.228 1.00 0.00 C ATOM 0 H TRP A 17 9.309 8.471 -8.591 1.00 0.00 H new ATOM 0 HA TRP A 17 11.542 6.995 -9.029 1.00 0.00 H new ATOM 0 HB2 TRP A 17 11.126 9.357 -9.750 1.00 0.00 H new ATOM 0 HB3 TRP A 17 11.397 9.902 -8.106 1.00 0.00 H new ATOM 0 HD1 TRP A 17 13.357 8.191 -10.999 1.00 0.00 H new ATOM 0 HE1 TRP A 17 15.866 8.774 -10.775 1.00 0.00 H new ATOM 0 HE3 TRP A 17 13.147 10.716 -6.561 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 17.496 10.133 -8.929 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 15.232 11.627 -5.621 1.00 0.00 H new ATOM 0 HH2 TRP A 17 17.377 11.346 -6.796 1.00 0.00 H new ATOM 284 N VAL A 18 11.510 8.048 -5.912 1.00 0.00 N ATOM 285 CA VAL A 18 12.157 7.860 -4.620 1.00 0.00 C ATOM 286 C VAL A 18 12.064 6.421 -4.139 1.00 0.00 C ATOM 287 O VAL A 18 13.078 5.754 -3.932 1.00 0.00 O ATOM 288 CB VAL A 18 11.562 8.773 -3.522 1.00 0.00 C ATOM 289 CG1 VAL A 18 12.597 9.028 -2.437 1.00 0.00 C ATOM 290 CG2 VAL A 18 11.053 10.089 -4.098 1.00 0.00 C ATOM 0 H VAL A 18 10.675 8.634 -5.891 1.00 0.00 H new ATOM 0 HA VAL A 18 13.201 8.127 -4.784 1.00 0.00 H new ATOM 0 HB VAL A 18 10.707 8.257 -3.084 1.00 0.00 H new ATOM 0 HG11 VAL A 18 12.168 9.672 -1.669 1.00 0.00 H new ATOM 0 HG12 VAL A 18 12.897 8.080 -1.990 1.00 0.00 H new ATOM 0 HG13 VAL A 18 13.469 9.515 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.643 10.703 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 18 11.876 10.620 -4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 18 10.275 9.887 -4.835 1.00 0.00 H new ATOM 300 N LEU A 19 10.843 5.969 -3.923 1.00 0.00 N ATOM 301 CA LEU A 19 10.592 4.622 -3.412 1.00 0.00 C ATOM 302 C LEU A 19 10.978 3.525 -4.397 1.00 0.00 C ATOM 303 O LEU A 19 11.276 2.402 -3.988 1.00 0.00 O ATOM 304 CB LEU A 19 9.122 4.468 -3.020 1.00 0.00 C ATOM 305 CG LEU A 19 8.799 4.825 -1.570 1.00 0.00 C ATOM 306 CD1 LEU A 19 7.294 4.825 -1.346 1.00 0.00 C ATOM 307 CD2 LEU A 19 9.488 3.855 -0.619 1.00 0.00 C ATOM 0 H LEU A 19 9.999 6.515 -4.093 1.00 0.00 H new ATOM 0 HA LEU A 19 11.228 4.503 -2.535 1.00 0.00 H new ATOM 0 HB2 LEU A 19 8.519 5.096 -3.676 1.00 0.00 H new ATOM 0 HB3 LEU A 19 8.820 3.436 -3.200 1.00 0.00 H new ATOM 0 HG LEU A 19 9.174 5.828 -1.366 1.00 0.00 H new ATOM 0 HD11 LEU A 19 7.081 5.081 -0.308 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.828 5.559 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.894 3.835 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 19 9.248 4.122 0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 19 9.143 2.841 -0.820 1.00 0.00 H new ATOM 0 HD23 LEU A 19 10.567 3.907 -0.765 1.00 0.00 H new ATOM 319 N GLU A 20 10.961 3.829 -5.684 1.00 0.00 N ATOM 320 CA GLU A 20 11.303 2.826 -6.684 1.00 0.00 C ATOM 321 C GLU A 20 12.758 2.407 -6.563 1.00 0.00 C ATOM 322 O GLU A 20 13.065 1.227 -6.403 1.00 0.00 O ATOM 323 CB GLU A 20 10.990 3.317 -8.102 1.00 0.00 C ATOM 324 CG GLU A 20 11.951 4.351 -8.663 1.00 0.00 C ATOM 325 CD GLU A 20 11.611 4.744 -10.089 1.00 0.00 C ATOM 326 OE1 GLU A 20 10.514 4.376 -10.561 1.00 0.00 O ATOM 327 OE2 GLU A 20 12.443 5.416 -10.733 1.00 0.00 O ATOM 0 H GLU A 20 10.719 4.746 -6.059 1.00 0.00 H new ATOM 0 HA GLU A 20 10.683 1.950 -6.494 1.00 0.00 H new ATOM 0 HB2 GLU A 20 10.978 2.457 -8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.985 3.739 -8.108 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.935 5.239 -8.031 1.00 0.00 H new ATOM 0 HG3 GLU A 20 12.966 3.955 -8.630 1.00 0.00 H new ATOM 334 N ARG A 21 13.645 3.379 -6.645 1.00 0.00 N ATOM 335 CA ARG A 21 15.079 3.125 -6.555 1.00 0.00 C ATOM 336 C ARG A 21 15.477 2.548 -5.195 1.00 0.00 C ATOM 337 O ARG A 21 16.055 1.464 -5.120 1.00 0.00 O ATOM 338 CB ARG A 21 15.861 4.411 -6.823 1.00 0.00 C ATOM 339 CG ARG A 21 15.769 4.885 -8.265 1.00 0.00 C ATOM 340 CD ARG A 21 17.107 4.775 -8.974 1.00 0.00 C ATOM 341 NE ARG A 21 18.108 5.664 -8.391 1.00 0.00 N ATOM 342 CZ ARG A 21 19.422 5.474 -8.500 1.00 0.00 C ATOM 343 NH1 ARG A 21 19.896 4.434 -9.175 1.00 0.00 N ATOM 344 NH2 ARG A 21 20.263 6.327 -7.933 1.00 0.00 N ATOM 0 H ARG A 21 13.400 4.361 -6.775 1.00 0.00 H new ATOM 0 HA ARG A 21 15.325 2.382 -7.314 1.00 0.00 H new ATOM 0 HB2 ARG A 21 15.489 5.197 -6.166 1.00 0.00 H new ATOM 0 HB3 ARG A 21 16.908 4.250 -6.567 1.00 0.00 H new ATOM 0 HG2 ARG A 21 15.025 4.293 -8.797 1.00 0.00 H new ATOM 0 HG3 ARG A 21 15.428 5.920 -8.288 1.00 0.00 H new ATOM 0 HD2 ARG A 21 17.462 3.746 -8.922 1.00 0.00 H new ATOM 0 HD3 ARG A 21 16.979 5.015 -10.030 1.00 0.00 H new ATOM 0 HE ARG A 21 17.782 6.478 -7.870 1.00 0.00 H new ATOM 0 HH11 ARG A 21 19.253 3.775 -9.614 1.00 0.00 H new ATOM 0 HH12 ARG A 21 20.903 4.294 -9.255 1.00 0.00 H new ATOM 0 HH21 ARG A 21 19.904 7.128 -7.414 1.00 0.00 H new ATOM 0 HH22 ARG A 21 21.269 6.182 -8.016 1.00 0.00 H new ATOM 358 N ALA A 22 15.186 3.283 -4.126 1.00 0.00 N ATOM 359 CA ALA A 22 15.540 2.842 -2.777 1.00 0.00 C ATOM 360 C ALA A 22 15.030 1.443 -2.478 1.00 0.00 C ATOM 361 O ALA A 22 15.753 0.619 -1.918 1.00 0.00 O ATOM 362 CB ALA A 22 15.029 3.832 -1.737 1.00 0.00 C ATOM 0 H ALA A 22 14.708 4.183 -4.165 1.00 0.00 H new ATOM 0 HA ALA A 22 16.628 2.806 -2.726 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.302 3.486 -0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 22 15.474 4.811 -1.916 1.00 0.00 H new ATOM 0 HB3 ALA A 22 13.944 3.908 -1.810 1.00 0.00 H new ATOM 368 N LEU A 23 13.793 1.175 -2.851 1.00 0.00 N ATOM 369 CA LEU A 23 13.214 -0.140 -2.614 1.00 0.00 C ATOM 370 C LEU A 23 13.810 -1.165 -3.571 1.00 0.00 C ATOM 371 O LEU A 23 13.862 -2.361 -3.270 1.00 0.00 O ATOM 372 CB LEU A 23 11.684 -0.108 -2.728 1.00 0.00 C ATOM 373 CG LEU A 23 10.949 -1.230 -1.976 1.00 0.00 C ATOM 374 CD1 LEU A 23 11.707 -1.644 -0.719 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.528 -0.811 -1.627 1.00 0.00 C ATOM 0 H LEU A 23 13.173 1.840 -3.314 1.00 0.00 H new ATOM 0 HA LEU A 23 13.460 -0.436 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 23 11.328 0.852 -2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 23 11.413 -0.161 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 23 10.900 -2.093 -2.640 1.00 0.00 H new ATOM 0 HD11 LEU A 23 11.161 -2.439 -0.210 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.699 -2.003 -0.994 1.00 0.00 H new ATOM 0 HD13 LEU A 23 11.803 -0.786 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 23 9.030 -1.622 -1.096 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.555 0.075 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 23 8.980 -0.586 -2.542 1.00 0.00 H new ATOM 387 N ALA A 24 14.296 -0.689 -4.713 1.00 0.00 N ATOM 388 CA ALA A 24 14.924 -1.569 -5.681 1.00 0.00 C ATOM 389 C ALA A 24 16.225 -2.096 -5.100 1.00 0.00 C ATOM 390 O ALA A 24 16.601 -3.246 -5.326 1.00 0.00 O ATOM 391 CB ALA A 24 15.183 -0.850 -6.997 1.00 0.00 C ATOM 0 H ALA A 24 14.266 0.293 -4.986 1.00 0.00 H new ATOM 0 HA ALA A 24 14.250 -2.400 -5.891 1.00 0.00 H new ATOM 0 HB1 ALA A 24 15.654 -1.537 -7.700 1.00 0.00 H new ATOM 0 HB2 ALA A 24 14.238 -0.498 -7.411 1.00 0.00 H new ATOM 0 HB3 ALA A 24 15.842 0.000 -6.823 1.00 0.00 H new ATOM 397 N GLY A 25 16.899 -1.246 -4.323 1.00 0.00 N ATOM 398 CA GLY A 25 18.138 -1.654 -3.697 1.00 0.00 C ATOM 399 C GLY A 25 17.910 -2.776 -2.704 1.00 0.00 C ATOM 400 O GLY A 25 18.820 -3.551 -2.410 1.00 0.00 O ATOM 0 H GLY A 25 16.607 -0.290 -4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 25 18.844 -1.980 -4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 25 18.589 -0.802 -3.189 1.00 0.00 H new ATOM 404 N ALA A 26 16.683 -2.864 -2.192 1.00 0.00 N ATOM 405 CA ALA A 26 16.324 -3.898 -1.236 1.00 0.00 C ATOM 406 C ALA A 26 16.086 -5.234 -1.937 1.00 0.00 C ATOM 407 O ALA A 26 16.074 -6.286 -1.296 1.00 0.00 O ATOM 408 CB ALA A 26 15.086 -3.484 -0.457 1.00 0.00 C ATOM 0 H ALA A 26 15.922 -2.227 -2.427 1.00 0.00 H new ATOM 0 HA ALA A 26 17.155 -4.023 -0.542 1.00 0.00 H new ATOM 0 HB1 ALA A 26 14.826 -4.266 0.256 1.00 0.00 H new ATOM 0 HB2 ALA A 26 15.287 -2.556 0.079 1.00 0.00 H new ATOM 0 HB3 ALA A 26 14.256 -3.332 -1.147 1.00 0.00 H new ATOM 414 N GLY A 27 15.915 -5.190 -3.257 1.00 0.00 N ATOM 415 CA GLY A 27 15.700 -6.405 -4.018 1.00 0.00 C ATOM 416 C GLY A 27 14.244 -6.665 -4.367 1.00 0.00 C ATOM 417 O GLY A 27 13.858 -7.817 -4.569 1.00 0.00 O ATOM 0 H GLY A 27 15.922 -4.333 -3.811 1.00 0.00 H new ATOM 0 HA2 GLY A 27 16.280 -6.352 -4.939 1.00 0.00 H new ATOM 0 HA3 GLY A 27 16.083 -7.251 -3.448 1.00 0.00 H new ATOM 421 N LEU A 28 13.424 -5.616 -4.454 1.00 0.00 N ATOM 422 CA LEU A 28 12.020 -5.801 -4.796 1.00 0.00 C ATOM 423 C LEU A 28 11.610 -4.928 -5.976 1.00 0.00 C ATOM 424 O LEU A 28 12.358 -4.049 -6.404 1.00 0.00 O ATOM 425 CB LEU A 28 11.110 -5.507 -3.597 1.00 0.00 C ATOM 426 CG LEU A 28 11.777 -5.596 -2.226 1.00 0.00 C ATOM 427 CD1 LEU A 28 12.346 -4.257 -1.832 1.00 0.00 C ATOM 428 CD2 LEU A 28 10.791 -6.101 -1.181 1.00 0.00 C ATOM 0 H LEU A 28 13.704 -4.648 -4.295 1.00 0.00 H new ATOM 0 HA LEU A 28 11.901 -6.847 -5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 28 10.695 -4.506 -3.715 1.00 0.00 H new ATOM 0 HB3 LEU A 28 10.272 -6.204 -3.620 1.00 0.00 H new ATOM 0 HG LEU A 28 12.598 -6.311 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 28 12.818 -4.336 -0.853 1.00 0.00 H new ATOM 0 HD12 LEU A 28 13.087 -3.946 -2.568 1.00 0.00 H new ATOM 0 HD13 LEU A 28 11.545 -3.519 -1.790 1.00 0.00 H new ATOM 0 HD21 LEU A 28 11.286 -6.157 -0.211 1.00 0.00 H new ATOM 0 HD22 LEU A 28 9.945 -5.416 -1.118 1.00 0.00 H new ATOM 0 HD23 LEU A 28 10.435 -7.091 -1.465 1.00 0.00 H new ATOM 440 N THR A 29 10.408 -5.174 -6.487 1.00 0.00 N ATOM 441 CA THR A 29 9.880 -4.407 -7.609 1.00 0.00 C ATOM 442 C THR A 29 8.922 -3.342 -7.095 1.00 0.00 C ATOM 443 O THR A 29 7.805 -3.646 -6.680 1.00 0.00 O ATOM 444 CB THR A 29 9.169 -5.329 -8.601 1.00 0.00 C ATOM 445 OG1 THR A 29 10.084 -6.241 -9.183 1.00 0.00 O ATOM 446 CG2 THR A 29 8.485 -4.584 -9.727 1.00 0.00 C ATOM 0 H THR A 29 9.780 -5.900 -6.141 1.00 0.00 H new ATOM 0 HA THR A 29 10.707 -3.922 -8.127 1.00 0.00 H new ATOM 0 HB THR A 29 8.410 -5.849 -8.017 1.00 0.00 H new ATOM 0 HG1 THR A 29 9.610 -6.823 -9.813 1.00 0.00 H new ATOM 0 HG21 THR A 29 8.001 -5.297 -10.394 1.00 0.00 H new ATOM 0 HG22 THR A 29 7.737 -3.908 -9.314 1.00 0.00 H new ATOM 0 HG23 THR A 29 9.224 -4.010 -10.285 1.00 0.00 H new ATOM 454 N CYS A 30 9.375 -2.095 -7.105 1.00 0.00 N ATOM 455 CA CYS A 30 8.570 -0.987 -6.613 1.00 0.00 C ATOM 456 C CYS A 30 7.925 -0.194 -7.746 1.00 0.00 C ATOM 457 O CYS A 30 8.605 0.504 -8.499 1.00 0.00 O ATOM 458 CB CYS A 30 9.434 -0.068 -5.752 1.00 0.00 C ATOM 459 SG CYS A 30 8.572 1.395 -5.125 1.00 0.00 S ATOM 0 H CYS A 30 10.297 -1.826 -7.449 1.00 0.00 H new ATOM 0 HA CYS A 30 7.762 -1.405 -6.013 1.00 0.00 H new ATOM 0 HB2 CYS A 30 9.819 -0.638 -4.907 1.00 0.00 H new ATOM 0 HB3 CYS A 30 10.295 0.255 -6.337 1.00 0.00 H new ATOM 0 HG CYS A 30 8.402 1.281 -3.841 1.00 0.00 H new ATOM 465 N THR A 31 6.600 -0.283 -7.836 1.00 0.00 N ATOM 466 CA THR A 31 5.848 0.448 -8.846 1.00 0.00 C ATOM 467 C THR A 31 4.844 1.347 -8.134 1.00 0.00 C ATOM 468 O THR A 31 4.425 1.041 -7.017 1.00 0.00 O ATOM 469 CB THR A 31 5.132 -0.511 -9.809 1.00 0.00 C ATOM 470 OG1 THR A 31 4.835 0.146 -11.028 1.00 0.00 O ATOM 471 CG2 THR A 31 3.821 -1.047 -9.275 1.00 0.00 C ATOM 0 H THR A 31 6.026 -0.857 -7.218 1.00 0.00 H new ATOM 0 HA THR A 31 6.531 1.050 -9.445 1.00 0.00 H new ATOM 0 HB THR A 31 5.823 -1.343 -9.944 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.381 -0.477 -11.633 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.375 -1.716 -10.011 1.00 0.00 H new ATOM 0 HG22 THR A 31 4.001 -1.593 -8.349 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.141 -0.218 -9.080 1.00 0.00 H new ATOM 479 N THR A 32 4.476 2.464 -8.746 1.00 0.00 N ATOM 480 CA THR A 32 3.547 3.382 -8.105 1.00 0.00 C ATOM 481 C THR A 32 2.329 3.695 -8.958 1.00 0.00 C ATOM 482 O THR A 32 2.325 3.498 -10.174 1.00 0.00 O ATOM 483 CB THR A 32 4.267 4.663 -7.728 1.00 0.00 C ATOM 484 OG1 THR A 32 4.740 5.326 -8.886 1.00 0.00 O ATOM 485 CG2 THR A 32 5.443 4.413 -6.807 1.00 0.00 C ATOM 0 H THR A 32 4.800 2.753 -9.669 1.00 0.00 H new ATOM 0 HA THR A 32 3.177 2.883 -7.209 1.00 0.00 H new ATOM 0 HB THR A 32 3.539 5.282 -7.204 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.053 5.943 -9.214 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.925 5.361 -6.567 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.092 3.941 -5.889 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.159 3.757 -7.302 1.00 0.00 H new ATOM 493 N PHE A 33 1.287 4.171 -8.287 1.00 0.00 N ATOM 494 CA PHE A 33 0.031 4.508 -8.933 1.00 0.00 C ATOM 495 C PHE A 33 -0.519 5.849 -8.428 1.00 0.00 C ATOM 496 O PHE A 33 0.055 6.469 -7.531 1.00 0.00 O ATOM 497 CB PHE A 33 -0.975 3.384 -8.731 1.00 0.00 C ATOM 498 CG PHE A 33 -0.443 2.029 -9.087 1.00 0.00 C ATOM 499 CD1 PHE A 33 0.530 1.427 -8.307 1.00 0.00 C ATOM 500 CD2 PHE A 33 -0.923 1.354 -10.194 1.00 0.00 C ATOM 501 CE1 PHE A 33 1.013 0.174 -8.625 1.00 0.00 C ATOM 502 CE2 PHE A 33 -0.443 0.102 -10.520 1.00 0.00 C ATOM 503 CZ PHE A 33 0.525 -0.491 -9.736 1.00 0.00 C ATOM 0 H PHE A 33 1.292 4.333 -7.280 1.00 0.00 H new ATOM 0 HA PHE A 33 0.213 4.622 -10.002 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -1.294 3.377 -7.689 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.860 3.587 -9.334 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.915 1.944 -7.440 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.682 1.812 -10.811 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.770 -0.287 -8.008 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.825 -0.414 -11.389 1.00 0.00 H new ATOM 0 HZ PHE A 33 0.901 -1.471 -9.989 1.00 0.00 H new ATOM 513 N GLU A 34 -1.604 6.310 -9.051 1.00 0.00 N ATOM 514 CA GLU A 34 -2.211 7.605 -8.728 1.00 0.00 C ATOM 515 C GLU A 34 -2.699 7.733 -7.277 1.00 0.00 C ATOM 516 O GLU A 34 -2.254 8.631 -6.562 1.00 0.00 O ATOM 517 CB GLU A 34 -3.383 7.861 -9.681 1.00 0.00 C ATOM 518 CG GLU A 34 -4.396 6.726 -9.723 1.00 0.00 C ATOM 519 CD GLU A 34 -5.635 7.006 -8.897 1.00 0.00 C ATOM 520 OE1 GLU A 34 -5.967 8.194 -8.706 1.00 0.00 O ATOM 521 OE2 GLU A 34 -6.270 6.032 -8.437 1.00 0.00 O ATOM 0 H GLU A 34 -2.086 5.800 -9.791 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.424 8.350 -8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.890 8.778 -9.381 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -2.994 8.026 -10.686 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.689 6.546 -10.757 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.924 5.812 -9.362 1.00 0.00 H new ATOM 528 N ASN A 35 -3.616 6.874 -6.835 1.00 0.00 N ATOM 529 CA ASN A 35 -4.130 6.976 -5.472 1.00 0.00 C ATOM 530 C ASN A 35 -4.556 5.628 -4.908 1.00 0.00 C ATOM 531 O ASN A 35 -4.472 5.395 -3.702 1.00 0.00 O ATOM 532 CB ASN A 35 -5.306 7.952 -5.420 1.00 0.00 C ATOM 533 CG ASN A 35 -5.571 8.458 -4.018 1.00 0.00 C ATOM 534 OD1 ASN A 35 -6.476 7.792 -3.311 1.00 0.00 O flip ATOM 535 ND2 ASN A 35 -4.969 9.435 -3.572 1.00 0.00 N flip ATOM 0 H ASN A 35 -4.011 6.114 -7.389 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.314 7.348 -4.853 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.103 8.798 -6.077 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.201 7.460 -5.802 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -4.281 9.918 -4.150 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -5.158 9.762 -2.624 1.00 0.00 H new ATOM 542 N GLY A 36 -4.998 4.742 -5.783 1.00 0.00 N ATOM 543 CA GLY A 36 -5.417 3.425 -5.353 1.00 0.00 C ATOM 544 C GLY A 36 -6.147 2.668 -6.440 1.00 0.00 C ATOM 545 O GLY A 36 -5.748 1.565 -6.812 1.00 0.00 O ATOM 0 H GLY A 36 -5.075 4.910 -6.786 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -4.543 2.853 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -6.065 3.519 -4.482 1.00 0.00 H new ATOM 549 N ASN A 37 -7.218 3.268 -6.953 1.00 0.00 N ATOM 550 CA ASN A 37 -8.016 2.650 -8.007 1.00 0.00 C ATOM 551 C ASN A 37 -7.124 2.080 -9.099 1.00 0.00 C ATOM 552 O ASN A 37 -7.433 1.048 -9.694 1.00 0.00 O ATOM 553 CB ASN A 37 -8.996 3.662 -8.599 1.00 0.00 C ATOM 554 CG ASN A 37 -10.440 3.334 -8.269 1.00 0.00 C ATOM 555 OD1 ASN A 37 -10.679 2.865 -7.048 1.00 0.00 O flip ATOM 556 ND2 ASN A 37 -11.332 3.502 -9.101 1.00 0.00 N flip ATOM 0 H ASN A 37 -7.553 4.184 -6.655 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.583 1.831 -7.565 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -8.758 4.657 -8.223 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -8.872 3.693 -9.681 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -11.104 3.864 -10.027 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -12.299 3.279 -8.864 1.00 0.00 H new ATOM 563 N GLU A 38 -6.010 2.754 -9.349 1.00 0.00 N ATOM 564 CA GLU A 38 -5.071 2.304 -10.363 1.00 0.00 C ATOM 565 C GLU A 38 -4.535 0.919 -10.013 1.00 0.00 C ATOM 566 O GLU A 38 -4.671 -0.015 -10.802 1.00 0.00 O ATOM 567 CB GLU A 38 -3.923 3.294 -10.511 1.00 0.00 C ATOM 568 CG GLU A 38 -3.287 3.296 -11.894 1.00 0.00 C ATOM 569 CD GLU A 38 -3.887 4.342 -12.813 1.00 0.00 C ATOM 570 OE1 GLU A 38 -4.962 4.077 -13.392 1.00 0.00 O ATOM 571 OE2 GLU A 38 -3.283 5.426 -12.954 1.00 0.00 O ATOM 0 H GLU A 38 -5.737 3.610 -8.866 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.598 2.244 -11.315 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.289 4.296 -10.288 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.158 3.062 -9.770 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.216 3.475 -11.797 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.406 2.311 -12.345 1.00 0.00 H new ATOM 578 N VAL A 39 -3.936 0.777 -8.825 1.00 0.00 N ATOM 579 CA VAL A 39 -3.408 -0.525 -8.413 1.00 0.00 C ATOM 580 C VAL A 39 -4.448 -1.620 -8.606 1.00 0.00 C ATOM 581 O VAL A 39 -4.131 -2.722 -9.048 1.00 0.00 O ATOM 582 CB VAL A 39 -2.972 -0.534 -6.941 1.00 0.00 C ATOM 583 CG1 VAL A 39 -2.077 -1.728 -6.656 1.00 0.00 C ATOM 584 CG2 VAL A 39 -2.273 0.758 -6.587 1.00 0.00 C ATOM 0 H VAL A 39 -3.807 1.529 -8.148 1.00 0.00 H new ATOM 0 HA VAL A 39 -2.539 -0.713 -9.043 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.862 -0.621 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -1.778 -1.717 -5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.620 -2.649 -6.869 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.189 -1.676 -7.287 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.971 0.733 -5.540 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -1.391 0.879 -7.216 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.952 1.595 -6.749 1.00 0.00 H new ATOM 594 N LEU A 40 -5.693 -1.302 -8.268 1.00 0.00 N ATOM 595 CA LEU A 40 -6.791 -2.255 -8.400 1.00 0.00 C ATOM 596 C LEU A 40 -6.885 -2.779 -9.828 1.00 0.00 C ATOM 597 O LEU A 40 -7.072 -3.976 -10.052 1.00 0.00 O ATOM 598 CB LEU A 40 -8.116 -1.603 -8.002 1.00 0.00 C ATOM 599 CG LEU A 40 -8.066 -0.731 -6.746 1.00 0.00 C ATOM 600 CD1 LEU A 40 -9.455 -0.217 -6.407 1.00 0.00 C ATOM 601 CD2 LEU A 40 -7.479 -1.512 -5.575 1.00 0.00 C ATOM 0 H LEU A 40 -5.968 -0.391 -7.900 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.591 -3.093 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.466 -0.992 -8.834 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -8.857 -2.388 -7.850 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.420 0.125 -6.942 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.405 0.402 -5.511 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.836 0.377 -7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -10.122 -1.061 -6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.451 -0.876 -4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.098 -2.386 -5.374 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.467 -1.833 -5.823 1.00 0.00 H new ATOM 613 N ALA A 41 -6.755 -1.873 -10.791 1.00 0.00 N ATOM 614 CA ALA A 41 -6.824 -2.240 -12.198 1.00 0.00 C ATOM 615 C ALA A 41 -5.622 -3.077 -12.602 1.00 0.00 C ATOM 616 O ALA A 41 -5.762 -4.138 -13.210 1.00 0.00 O ATOM 617 CB ALA A 41 -6.922 -0.993 -13.064 1.00 0.00 C ATOM 0 H ALA A 41 -6.601 -0.879 -10.621 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.719 -2.843 -12.350 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.973 -1.282 -14.114 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.819 -0.435 -12.798 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.044 -0.368 -12.902 1.00 0.00 H new ATOM 623 N ALA A 42 -4.444 -2.590 -12.251 1.00 0.00 N ATOM 624 CA ALA A 42 -3.202 -3.286 -12.562 1.00 0.00 C ATOM 625 C ALA A 42 -3.101 -4.588 -11.780 1.00 0.00 C ATOM 626 O ALA A 42 -2.426 -5.528 -12.199 1.00 0.00 O ATOM 627 CB ALA A 42 -2.000 -2.397 -12.264 1.00 0.00 C ATOM 0 H ALA A 42 -4.319 -1.711 -11.748 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.205 -3.523 -13.626 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -1.082 -2.934 -12.503 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -2.058 -1.492 -12.868 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.999 -2.128 -11.208 1.00 0.00 H new ATOM 633 N LEU A 43 -3.769 -4.631 -10.633 1.00 0.00 N ATOM 634 CA LEU A 43 -3.752 -5.808 -9.778 1.00 0.00 C ATOM 635 C LEU A 43 -4.548 -6.955 -10.391 1.00 0.00 C ATOM 636 O LEU A 43 -4.306 -8.124 -10.089 1.00 0.00 O ATOM 637 CB LEU A 43 -4.312 -5.459 -8.400 1.00 0.00 C ATOM 638 CG LEU A 43 -3.276 -4.965 -7.395 1.00 0.00 C ATOM 639 CD1 LEU A 43 -3.949 -4.175 -6.285 1.00 0.00 C ATOM 640 CD2 LEU A 43 -2.491 -6.137 -6.829 1.00 0.00 C ATOM 0 H LEU A 43 -4.331 -3.859 -10.274 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.717 -6.136 -9.677 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.078 -4.692 -8.518 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.804 -6.341 -7.989 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.578 -4.302 -7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.196 -3.830 -5.576 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.467 -3.316 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.668 -4.812 -5.769 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.755 -5.770 -6.113 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.173 -6.824 -6.328 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.981 -6.658 -7.639 1.00 0.00 H new ATOM 652 N ALA A 44 -5.498 -6.614 -11.251 1.00 0.00 N ATOM 653 CA ALA A 44 -6.335 -7.613 -11.907 1.00 0.00 C ATOM 654 C ALA A 44 -5.505 -8.572 -12.759 1.00 0.00 C ATOM 655 O ALA A 44 -5.981 -9.641 -13.143 1.00 0.00 O ATOM 656 CB ALA A 44 -7.395 -6.930 -12.759 1.00 0.00 C ATOM 0 H ALA A 44 -5.710 -5.651 -11.512 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.824 -8.201 -11.130 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.014 -7.685 -13.244 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -8.020 -6.300 -12.126 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.911 -6.315 -13.518 1.00 0.00 H new ATOM 662 N SER A 45 -4.268 -8.185 -13.056 1.00 0.00 N ATOM 663 CA SER A 45 -3.381 -9.008 -13.863 1.00 0.00 C ATOM 664 C SER A 45 -2.108 -9.379 -13.100 1.00 0.00 C ATOM 665 O SER A 45 -1.298 -10.170 -13.584 1.00 0.00 O ATOM 666 CB SER A 45 -3.017 -8.276 -15.157 1.00 0.00 C ATOM 667 OG SER A 45 -4.001 -8.475 -16.160 1.00 0.00 O ATOM 0 H SER A 45 -3.859 -7.303 -12.747 1.00 0.00 H new ATOM 0 HA SER A 45 -3.910 -9.930 -14.103 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.911 -7.210 -14.956 1.00 0.00 H new ATOM 0 HB3 SER A 45 -2.051 -8.630 -15.518 1.00 0.00 H new ATOM 0 HG SER A 45 -3.741 -7.994 -16.973 1.00 0.00 H new ATOM 673 N LYS A 46 -1.930 -8.803 -11.911 1.00 0.00 N ATOM 674 CA LYS A 46 -0.753 -9.077 -11.099 1.00 0.00 C ATOM 675 C LYS A 46 -1.015 -8.744 -9.633 1.00 0.00 C ATOM 676 O LYS A 46 -1.883 -7.933 -9.320 1.00 0.00 O ATOM 677 CB LYS A 46 0.438 -8.269 -11.610 1.00 0.00 C ATOM 678 CG LYS A 46 1.705 -9.086 -11.786 1.00 0.00 C ATOM 679 CD LYS A 46 2.832 -8.546 -10.921 1.00 0.00 C ATOM 680 CE LYS A 46 3.605 -9.667 -10.245 1.00 0.00 C ATOM 681 NZ LYS A 46 3.319 -9.733 -8.787 1.00 0.00 N ATOM 0 H LYS A 46 -2.587 -8.145 -11.492 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.525 -10.140 -11.177 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.174 -7.816 -12.565 1.00 0.00 H new ATOM 0 HB3 LYS A 46 0.637 -7.454 -10.914 1.00 0.00 H new ATOM 0 HG2 LYS A 46 1.509 -10.126 -11.525 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.008 -9.071 -12.833 1.00 0.00 H new ATOM 0 HD2 LYS A 46 3.511 -7.954 -11.535 1.00 0.00 H new ATOM 0 HD3 LYS A 46 2.422 -7.878 -10.164 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.347 -10.619 -10.710 1.00 0.00 H new ATOM 0 HE3 LYS A 46 4.673 -9.517 -10.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 3.890 -10.487 -8.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.557 -8.822 -8.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 2.310 -9.936 -8.640 1.00 0.00 H new ATOM 695 N THR A 47 -0.261 -9.371 -8.739 1.00 0.00 N ATOM 696 CA THR A 47 -0.416 -9.130 -7.312 1.00 0.00 C ATOM 697 C THR A 47 0.937 -9.063 -6.605 1.00 0.00 C ATOM 698 O THR A 47 1.636 -10.072 -6.504 1.00 0.00 O ATOM 699 CB THR A 47 -1.283 -10.221 -6.674 1.00 0.00 C ATOM 700 OG1 THR A 47 -2.594 -10.192 -7.209 1.00 0.00 O ATOM 701 CG2 THR A 47 -1.399 -10.095 -5.167 1.00 0.00 C ATOM 0 H THR A 47 0.463 -10.049 -8.977 1.00 0.00 H new ATOM 0 HA THR A 47 -0.909 -8.165 -7.195 1.00 0.00 H new ATOM 0 HB THR A 47 -0.780 -11.160 -6.904 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.133 -10.896 -6.792 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.026 -10.899 -4.782 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.408 -10.162 -4.719 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.847 -9.133 -4.916 1.00 0.00 H new ATOM 709 N PRO A 48 1.326 -7.885 -6.084 1.00 0.00 N ATOM 710 CA PRO A 48 2.594 -7.728 -5.371 1.00 0.00 C ATOM 711 C PRO A 48 2.517 -8.308 -3.963 1.00 0.00 C ATOM 712 O PRO A 48 1.431 -8.580 -3.460 1.00 0.00 O ATOM 713 CB PRO A 48 2.768 -6.214 -5.313 1.00 0.00 C ATOM 714 CG PRO A 48 1.376 -5.709 -5.226 1.00 0.00 C ATOM 715 CD PRO A 48 0.569 -6.612 -6.125 1.00 0.00 C ATOM 0 HA PRO A 48 3.419 -8.247 -5.858 1.00 0.00 H new ATOM 0 HB2 PRO A 48 3.360 -5.911 -4.449 1.00 0.00 H new ATOM 0 HB3 PRO A 48 3.278 -5.834 -6.198 1.00 0.00 H new ATOM 0 HG2 PRO A 48 1.008 -5.744 -4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 48 1.313 -4.671 -5.552 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -0.451 -6.737 -5.761 1.00 0.00 H new ATOM 0 HD3 PRO A 48 0.500 -6.216 -7.138 1.00 0.00 H new ATOM 723 N ASP A 49 3.661 -8.487 -3.319 1.00 0.00 N ATOM 724 CA ASP A 49 3.673 -9.020 -1.966 1.00 0.00 C ATOM 725 C ASP A 49 3.195 -7.945 -0.998 1.00 0.00 C ATOM 726 O ASP A 49 2.145 -8.081 -0.372 1.00 0.00 O ATOM 727 CB ASP A 49 5.076 -9.498 -1.585 1.00 0.00 C ATOM 728 CG ASP A 49 5.485 -10.751 -2.336 1.00 0.00 C ATOM 729 OD1 ASP A 49 4.916 -11.827 -2.053 1.00 0.00 O ATOM 730 OD2 ASP A 49 6.376 -10.657 -3.205 1.00 0.00 O ATOM 0 H ASP A 49 4.581 -8.274 -3.705 1.00 0.00 H new ATOM 0 HA ASP A 49 3.002 -9.877 -1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.795 -8.705 -1.789 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.112 -9.692 -0.513 1.00 0.00 H new ATOM 735 N VAL A 50 3.948 -6.856 -0.915 1.00 0.00 N ATOM 736 CA VAL A 50 3.578 -5.737 -0.066 1.00 0.00 C ATOM 737 C VAL A 50 2.830 -4.706 -0.903 1.00 0.00 C ATOM 738 O VAL A 50 2.988 -4.668 -2.124 1.00 0.00 O ATOM 739 CB VAL A 50 4.811 -5.101 0.610 1.00 0.00 C ATOM 740 CG1 VAL A 50 5.855 -4.721 -0.426 1.00 0.00 C ATOM 741 CG2 VAL A 50 4.413 -3.899 1.458 1.00 0.00 C ATOM 0 H VAL A 50 4.820 -6.726 -1.428 1.00 0.00 H new ATOM 0 HA VAL A 50 2.932 -6.102 0.732 1.00 0.00 H new ATOM 0 HB VAL A 50 5.252 -5.842 1.276 1.00 0.00 H new ATOM 0 HG11 VAL A 50 6.716 -4.274 0.072 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.171 -5.612 -0.968 1.00 0.00 H new ATOM 0 HG13 VAL A 50 5.428 -4.003 -1.126 1.00 0.00 H new ATOM 0 HG21 VAL A 50 5.302 -3.471 1.922 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.937 -3.149 0.826 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.715 -4.216 2.233 1.00 0.00 H new ATOM 751 N LEU A 51 2.011 -3.879 -0.266 1.00 0.00 N ATOM 752 CA LEU A 51 1.252 -2.876 -1.002 1.00 0.00 C ATOM 753 C LEU A 51 0.925 -1.666 -0.138 1.00 0.00 C ATOM 754 O LEU A 51 0.477 -1.794 1.000 1.00 0.00 O ATOM 755 CB LEU A 51 -0.038 -3.489 -1.552 1.00 0.00 C ATOM 756 CG LEU A 51 -0.900 -2.549 -2.401 1.00 0.00 C ATOM 757 CD1 LEU A 51 -0.111 -2.025 -3.591 1.00 0.00 C ATOM 758 CD2 LEU A 51 -2.164 -3.269 -2.865 1.00 0.00 C ATOM 0 H LEU A 51 1.856 -3.881 0.742 1.00 0.00 H new ATOM 0 HA LEU A 51 1.875 -2.535 -1.829 1.00 0.00 H new ATOM 0 HB2 LEU A 51 0.221 -4.360 -2.154 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.637 -3.847 -0.714 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.192 -1.696 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.741 -1.359 -4.181 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.762 -1.478 -3.236 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.212 -2.862 -4.210 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.769 -2.591 -3.467 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.889 -4.138 -3.463 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.738 -3.593 -1.997 1.00 0.00 H new ATOM 770 N LEU A 52 1.159 -0.491 -0.706 1.00 0.00 N ATOM 771 CA LEU A 52 0.905 0.770 -0.026 1.00 0.00 C ATOM 772 C LEU A 52 -0.118 1.588 -0.807 1.00 0.00 C ATOM 773 O LEU A 52 0.151 1.980 -1.938 1.00 0.00 O ATOM 774 CB LEU A 52 2.198 1.570 0.070 1.00 0.00 C ATOM 775 CG LEU A 52 3.251 1.050 1.043 1.00 0.00 C ATOM 776 CD1 LEU A 52 4.635 1.131 0.408 1.00 0.00 C ATOM 777 CD2 LEU A 52 3.208 1.854 2.332 1.00 0.00 C ATOM 0 H LEU A 52 1.530 -0.386 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 52 0.521 0.558 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.645 1.616 -0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.946 2.592 0.354 1.00 0.00 H new ATOM 0 HG LEU A 52 3.038 0.007 1.276 1.00 0.00 H new ATOM 0 HD11 LEU A 52 5.380 0.757 1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.655 0.526 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.860 2.168 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.963 1.476 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.408 2.903 2.113 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.222 1.760 2.787 1.00 0.00 H new ATOM 789 N SER A 53 -1.285 1.843 -0.220 1.00 0.00 N ATOM 790 CA SER A 53 -2.322 2.611 -0.910 1.00 0.00 C ATOM 791 C SER A 53 -2.486 4.018 -0.337 1.00 0.00 C ATOM 792 O SER A 53 -2.322 4.248 0.863 1.00 0.00 O ATOM 793 CB SER A 53 -3.657 1.869 -0.855 1.00 0.00 C ATOM 794 OG SER A 53 -4.462 2.181 -1.978 1.00 0.00 O ATOM 0 H SER A 53 -1.536 1.534 0.719 1.00 0.00 H new ATOM 0 HA SER A 53 -2.002 2.716 -1.947 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.478 0.794 -0.820 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.186 2.134 0.060 1.00 0.00 H new ATOM 0 HG SER A 53 -5.309 1.692 -1.919 1.00 0.00 H new ATOM 800 N ASP A 54 -2.824 4.958 -1.216 1.00 0.00 N ATOM 801 CA ASP A 54 -3.029 6.346 -0.824 1.00 0.00 C ATOM 802 C ASP A 54 -4.350 6.513 -0.085 1.00 0.00 C ATOM 803 O ASP A 54 -5.077 5.545 0.138 1.00 0.00 O ATOM 804 CB ASP A 54 -3.014 7.255 -2.053 1.00 0.00 C ATOM 805 CG ASP A 54 -2.386 8.604 -1.764 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.873 8.791 -0.639 1.00 0.00 O ATOM 807 OD2 ASP A 54 -2.408 9.473 -2.660 1.00 0.00 O ATOM 0 H ASP A 54 -2.962 4.780 -2.211 1.00 0.00 H new ATOM 0 HA ASP A 54 -2.215 6.628 -0.157 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.464 6.766 -2.857 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.035 7.400 -2.407 1.00 0.00 H new ATOM 812 N ILE A 55 -4.651 7.748 0.295 1.00 0.00 N ATOM 813 CA ILE A 55 -5.876 8.047 1.010 1.00 0.00 C ATOM 814 C ILE A 55 -6.270 9.510 0.844 1.00 0.00 C ATOM 815 O ILE A 55 -5.930 10.356 1.672 1.00 0.00 O ATOM 816 CB ILE A 55 -5.724 7.695 2.501 1.00 0.00 C ATOM 817 CG1 ILE A 55 -6.872 8.276 3.334 1.00 0.00 C ATOM 818 CG2 ILE A 55 -4.382 8.173 3.026 1.00 0.00 C ATOM 819 CD1 ILE A 55 -7.093 7.552 4.644 1.00 0.00 C ATOM 0 H ILE A 55 -4.058 8.559 0.117 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.673 7.437 0.584 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.767 6.610 2.594 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.666 9.327 3.539 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.790 8.239 2.748 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.292 7.916 4.081 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.580 7.693 2.465 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.310 9.254 2.909 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.920 8.016 5.181 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.330 6.507 4.446 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -6.188 7.611 5.249 1.00 0.00 H new ATOM 831 N ARG A 56 -6.998 9.790 -0.238 1.00 0.00 N ATOM 832 CA ARG A 56 -7.463 11.142 -0.545 1.00 0.00 C ATOM 833 C ARG A 56 -7.915 11.241 -2.006 1.00 0.00 C ATOM 834 O ARG A 56 -7.388 12.047 -2.772 1.00 0.00 O ATOM 835 CB ARG A 56 -6.357 12.171 -0.269 1.00 0.00 C ATOM 836 CG ARG A 56 -6.667 13.099 0.892 1.00 0.00 C ATOM 837 CD ARG A 56 -7.607 14.217 0.473 1.00 0.00 C ATOM 838 NE ARG A 56 -8.323 14.781 1.614 1.00 0.00 N ATOM 839 CZ ARG A 56 -8.450 16.086 1.849 1.00 0.00 C ATOM 840 NH1 ARG A 56 -7.931 16.980 1.012 1.00 0.00 N ATOM 841 NH2 ARG A 56 -9.105 16.501 2.923 1.00 0.00 N ATOM 0 H ARG A 56 -7.280 9.089 -0.923 1.00 0.00 H new ATOM 0 HA ARG A 56 -8.314 11.359 0.100 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -5.425 11.644 -0.064 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.195 12.767 -1.167 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -7.117 12.529 1.705 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.740 13.526 1.276 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -7.038 15.003 -0.023 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -8.324 13.835 -0.254 1.00 0.00 H new ATOM 0 HE ARG A 56 -8.754 14.134 2.274 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -7.430 16.669 0.180 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.034 17.977 1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.510 15.822 3.567 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.204 17.500 3.106 1.00 0.00 H new ATOM 855 N MET A 57 -8.896 10.423 -2.394 1.00 0.00 N ATOM 856 CA MET A 57 -9.397 10.449 -3.769 1.00 0.00 C ATOM 857 C MET A 57 -10.765 9.766 -3.903 1.00 0.00 C ATOM 858 O MET A 57 -11.750 10.417 -4.250 1.00 0.00 O ATOM 859 CB MET A 57 -8.380 9.812 -4.725 1.00 0.00 C ATOM 860 CG MET A 57 -8.739 9.981 -6.191 1.00 0.00 C ATOM 861 SD MET A 57 -8.236 11.583 -6.846 1.00 0.00 S ATOM 862 CE MET A 57 -9.742 12.525 -6.625 1.00 0.00 C ATOM 0 H MET A 57 -9.353 9.744 -1.785 1.00 0.00 H new ATOM 0 HA MET A 57 -9.533 11.495 -4.042 1.00 0.00 H new ATOM 0 HB2 MET A 57 -7.399 10.253 -4.546 1.00 0.00 H new ATOM 0 HB3 MET A 57 -8.298 8.749 -4.499 1.00 0.00 H new ATOM 0 HG2 MET A 57 -8.264 9.190 -6.771 1.00 0.00 H new ATOM 0 HG3 MET A 57 -9.816 9.864 -6.314 1.00 0.00 H new ATOM 0 HE1 MET A 57 -10.169 12.763 -7.599 1.00 0.00 H new ATOM 0 HE2 MET A 57 -10.457 11.938 -6.049 1.00 0.00 H new ATOM 0 HE3 MET A 57 -9.518 13.449 -6.092 1.00 0.00 H new ATOM 872 N PRO A 58 -10.852 8.445 -3.639 1.00 0.00 N ATOM 873 CA PRO A 58 -12.112 7.686 -3.739 1.00 0.00 C ATOM 874 C PRO A 58 -13.253 8.308 -2.933 1.00 0.00 C ATOM 875 O PRO A 58 -13.180 9.464 -2.521 1.00 0.00 O ATOM 876 CB PRO A 58 -11.748 6.307 -3.165 1.00 0.00 C ATOM 877 CG PRO A 58 -10.454 6.513 -2.454 1.00 0.00 C ATOM 878 CD PRO A 58 -9.743 7.575 -3.229 1.00 0.00 C ATOM 0 HA PRO A 58 -12.478 7.660 -4.765 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -12.519 5.947 -2.484 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -11.649 5.564 -3.956 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.617 6.822 -1.422 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -9.871 5.592 -2.423 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.012 8.105 -2.619 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.207 7.166 -4.085 1.00 0.00 H new ATOM 886 N GLY A 59 -14.308 7.521 -2.708 1.00 0.00 N ATOM 887 CA GLY A 59 -15.455 8.001 -1.949 1.00 0.00 C ATOM 888 C GLY A 59 -15.259 7.881 -0.446 1.00 0.00 C ATOM 889 O GLY A 59 -16.178 8.144 0.330 1.00 0.00 O ATOM 0 H GLY A 59 -14.388 6.559 -3.038 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -15.643 9.044 -2.204 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -16.340 7.437 -2.242 1.00 0.00 H new ATOM 893 N MET A 60 -14.054 7.498 -0.039 1.00 0.00 N ATOM 894 CA MET A 60 -13.717 7.354 1.370 1.00 0.00 C ATOM 895 C MET A 60 -12.226 7.594 1.547 1.00 0.00 C ATOM 896 O MET A 60 -11.508 6.791 2.148 1.00 0.00 O ATOM 897 CB MET A 60 -14.111 5.968 1.889 1.00 0.00 C ATOM 898 CG MET A 60 -15.075 6.016 3.065 1.00 0.00 C ATOM 899 SD MET A 60 -16.648 5.204 2.718 1.00 0.00 S ATOM 900 CE MET A 60 -16.243 3.503 3.104 1.00 0.00 C ATOM 0 H MET A 60 -13.287 7.280 -0.675 1.00 0.00 H new ATOM 0 HA MET A 60 -14.274 8.089 1.951 1.00 0.00 H new ATOM 0 HB2 MET A 60 -14.567 5.400 1.078 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.211 5.431 2.188 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.610 5.541 3.929 1.00 0.00 H new ATOM 0 HG3 MET A 60 -15.260 7.056 3.334 1.00 0.00 H new ATOM 0 HE1 MET A 60 -17.118 2.874 2.939 1.00 0.00 H new ATOM 0 HE2 MET A 60 -15.429 3.168 2.462 1.00 0.00 H new ATOM 0 HE3 MET A 60 -15.936 3.430 4.147 1.00 0.00 H new ATOM 910 N ASP A 61 -11.790 8.725 0.993 1.00 0.00 N ATOM 911 CA ASP A 61 -10.399 9.164 1.024 1.00 0.00 C ATOM 912 C ASP A 61 -9.436 8.055 0.607 1.00 0.00 C ATOM 913 O ASP A 61 -8.856 8.113 -0.475 1.00 0.00 O ATOM 914 CB ASP A 61 -10.028 9.738 2.397 1.00 0.00 C ATOM 915 CG ASP A 61 -10.597 8.947 3.558 1.00 0.00 C ATOM 916 OD1 ASP A 61 -11.824 9.011 3.779 1.00 0.00 O ATOM 917 OD2 ASP A 61 -9.811 8.273 4.251 1.00 0.00 O ATOM 0 H ASP A 61 -12.407 9.372 0.502 1.00 0.00 H new ATOM 0 HA ASP A 61 -10.300 9.963 0.289 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -8.942 9.770 2.487 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.383 10.767 2.460 1.00 0.00 H new ATOM 922 N GLY A 62 -9.260 7.050 1.452 1.00 0.00 N ATOM 923 CA GLY A 62 -8.357 5.967 1.116 1.00 0.00 C ATOM 924 C GLY A 62 -8.862 4.619 1.563 1.00 0.00 C ATOM 925 O GLY A 62 -8.671 3.617 0.874 1.00 0.00 O ATOM 0 H GLY A 62 -9.722 6.964 2.357 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -8.203 5.952 0.037 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.386 6.155 1.574 1.00 0.00 H new ATOM 929 N LEU A 63 -9.511 4.590 2.716 1.00 0.00 N ATOM 930 CA LEU A 63 -10.040 3.345 3.237 1.00 0.00 C ATOM 931 C LEU A 63 -10.986 2.708 2.225 1.00 0.00 C ATOM 932 O LEU A 63 -11.246 1.506 2.273 1.00 0.00 O ATOM 933 CB LEU A 63 -10.712 3.554 4.592 1.00 0.00 C ATOM 934 CG LEU A 63 -9.948 4.484 5.541 1.00 0.00 C ATOM 935 CD1 LEU A 63 -10.421 5.922 5.406 1.00 0.00 C ATOM 936 CD2 LEU A 63 -10.063 3.998 6.971 1.00 0.00 C ATOM 0 H LEU A 63 -9.682 5.407 3.302 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.211 2.656 3.399 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -11.710 3.961 4.430 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -10.837 2.585 5.075 1.00 0.00 H new ATOM 0 HG LEU A 63 -8.895 4.462 5.260 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -9.859 6.556 6.092 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -10.261 6.263 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.483 5.980 5.645 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -9.514 4.671 7.629 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -11.112 3.978 7.265 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -9.645 2.994 7.049 1.00 0.00 H new ATOM 948 N ALA A 64 -11.465 3.515 1.277 1.00 0.00 N ATOM 949 CA ALA A 64 -12.332 3.016 0.227 1.00 0.00 C ATOM 950 C ALA A 64 -11.572 2.001 -0.614 1.00 0.00 C ATOM 951 O ALA A 64 -12.077 0.923 -0.928 1.00 0.00 O ATOM 952 CB ALA A 64 -12.815 4.160 -0.651 1.00 0.00 C ATOM 0 H ALA A 64 -11.264 4.513 1.221 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.201 2.538 0.679 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -13.464 3.769 -1.434 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -13.369 4.876 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.958 4.657 -1.105 1.00 0.00 H new ATOM 958 N LEU A 65 -10.339 2.365 -0.965 1.00 0.00 N ATOM 959 CA LEU A 65 -9.476 1.506 -1.764 1.00 0.00 C ATOM 960 C LEU A 65 -9.297 0.151 -1.091 1.00 0.00 C ATOM 961 O LEU A 65 -9.200 -0.875 -1.762 1.00 0.00 O ATOM 962 CB LEU A 65 -8.121 2.182 -1.990 1.00 0.00 C ATOM 963 CG LEU A 65 -8.209 3.609 -2.533 1.00 0.00 C ATOM 964 CD1 LEU A 65 -6.931 4.385 -2.244 1.00 0.00 C ATOM 965 CD2 LEU A 65 -8.506 3.592 -4.025 1.00 0.00 C ATOM 0 H LEU A 65 -9.916 3.256 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.947 1.343 -2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.575 2.198 -1.047 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -7.538 1.577 -2.685 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.028 4.117 -2.024 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.022 5.396 -2.641 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.769 4.431 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -6.086 3.884 -2.717 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.565 4.615 -4.396 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.710 3.062 -4.548 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.455 3.087 -4.201 1.00 0.00 H new ATOM 977 N LEU A 66 -9.281 0.146 0.241 1.00 0.00 N ATOM 978 CA LEU A 66 -9.146 -1.100 0.986 1.00 0.00 C ATOM 979 C LEU A 66 -10.314 -2.015 0.646 1.00 0.00 C ATOM 980 O LEU A 66 -10.137 -3.210 0.408 1.00 0.00 O ATOM 981 CB LEU A 66 -9.113 -0.840 2.495 1.00 0.00 C ATOM 982 CG LEU A 66 -7.815 -0.228 3.032 1.00 0.00 C ATOM 983 CD1 LEU A 66 -6.636 -1.158 2.793 1.00 0.00 C ATOM 984 CD2 LEU A 66 -7.560 1.129 2.397 1.00 0.00 C ATOM 0 H LEU A 66 -9.359 0.982 0.820 1.00 0.00 H new ATOM 0 HA LEU A 66 -8.206 -1.575 0.705 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -9.939 -0.176 2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -9.291 -1.783 3.012 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.927 -0.091 4.108 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -5.727 -0.701 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -6.812 -2.106 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -6.523 -1.335 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -6.634 1.547 2.791 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -7.475 1.015 1.316 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -8.388 1.800 2.627 1.00 0.00 H new ATOM 996 N LYS A 67 -11.508 -1.430 0.608 1.00 0.00 N ATOM 997 CA LYS A 67 -12.719 -2.171 0.276 1.00 0.00 C ATOM 998 C LYS A 67 -12.569 -2.847 -1.081 1.00 0.00 C ATOM 999 O LYS A 67 -12.983 -3.987 -1.272 1.00 0.00 O ATOM 1000 CB LYS A 67 -13.932 -1.242 0.244 1.00 0.00 C ATOM 1001 CG LYS A 67 -15.255 -1.969 0.441 1.00 0.00 C ATOM 1002 CD LYS A 67 -16.373 -1.337 -0.372 1.00 0.00 C ATOM 1003 CE LYS A 67 -16.791 0.004 0.208 1.00 0.00 C ATOM 1004 NZ LYS A 67 -17.779 0.704 -0.660 1.00 0.00 N ATOM 0 H LYS A 67 -11.662 -0.441 0.804 1.00 0.00 H new ATOM 0 HA LYS A 67 -12.871 -2.928 1.046 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.822 -0.486 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -13.953 -0.717 -0.711 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -15.142 -3.014 0.153 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -15.522 -1.957 1.498 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.044 -1.203 -1.403 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.232 -2.008 -0.396 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -17.221 -0.147 1.198 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -15.911 0.634 0.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.037 1.614 -0.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.360 0.872 -1.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.630 0.115 -0.762 1.00 0.00 H new ATOM 1018 N GLN A 68 -11.977 -2.129 -2.026 1.00 0.00 N ATOM 1019 CA GLN A 68 -11.770 -2.659 -3.365 1.00 0.00 C ATOM 1020 C GLN A 68 -10.712 -3.761 -3.352 1.00 0.00 C ATOM 1021 O GLN A 68 -10.796 -4.724 -4.115 1.00 0.00 O ATOM 1022 CB GLN A 68 -11.350 -1.545 -4.327 1.00 0.00 C ATOM 1023 CG GLN A 68 -12.290 -0.349 -4.334 1.00 0.00 C ATOM 1024 CD GLN A 68 -13.611 -0.653 -5.011 1.00 0.00 C ATOM 1025 OE1 GLN A 68 -13.660 -0.924 -6.211 1.00 0.00 O ATOM 1026 NE2 GLN A 68 -14.694 -0.610 -4.243 1.00 0.00 N ATOM 0 H GLN A 68 -11.632 -1.179 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 68 -12.713 -3.083 -3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -10.349 -1.206 -4.060 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -11.290 -1.953 -5.336 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -12.476 -0.031 -3.308 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.808 0.485 -4.844 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -14.608 -0.381 -3.253 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.611 -0.806 -4.644 1.00 0.00 H new ATOM 1035 N ILE A 69 -9.714 -3.607 -2.485 1.00 0.00 N ATOM 1036 CA ILE A 69 -8.637 -4.585 -2.377 1.00 0.00 C ATOM 1037 C ILE A 69 -9.146 -5.915 -1.831 1.00 0.00 C ATOM 1038 O ILE A 69 -8.718 -6.982 -2.271 1.00 0.00 O ATOM 1039 CB ILE A 69 -7.486 -4.066 -1.486 1.00 0.00 C ATOM 1040 CG1 ILE A 69 -6.914 -2.766 -2.054 1.00 0.00 C ATOM 1041 CG2 ILE A 69 -6.382 -5.109 -1.359 1.00 0.00 C ATOM 1042 CD1 ILE A 69 -6.316 -1.865 -0.996 1.00 0.00 C ATOM 0 H ILE A 69 -9.630 -2.815 -1.848 1.00 0.00 H new ATOM 0 HA ILE A 69 -8.254 -4.742 -3.385 1.00 0.00 H new ATOM 0 HB ILE A 69 -7.892 -3.870 -0.493 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -6.149 -3.006 -2.793 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -7.704 -2.227 -2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -5.584 -4.719 -0.727 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -6.788 -6.016 -0.912 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -5.983 -5.339 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.928 -0.961 -1.465 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -7.084 -1.597 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -5.504 -2.387 -0.489 1.00 0.00 H new ATOM 1054 N LYS A 70 -10.059 -5.844 -0.875 1.00 0.00 N ATOM 1055 CA LYS A 70 -10.625 -7.046 -0.274 1.00 0.00 C ATOM 1056 C LYS A 70 -11.576 -7.744 -1.240 1.00 0.00 C ATOM 1057 O LYS A 70 -11.810 -8.947 -1.137 1.00 0.00 O ATOM 1058 CB LYS A 70 -11.351 -6.713 1.032 1.00 0.00 C ATOM 1059 CG LYS A 70 -12.612 -5.889 0.837 1.00 0.00 C ATOM 1060 CD LYS A 70 -13.868 -6.740 0.957 1.00 0.00 C ATOM 1061 CE LYS A 70 -14.852 -6.149 1.955 1.00 0.00 C ATOM 1062 NZ LYS A 70 -16.215 -6.730 1.803 1.00 0.00 N ATOM 0 H LYS A 70 -10.425 -4.970 -0.498 1.00 0.00 H new ATOM 0 HA LYS A 70 -9.801 -7.724 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -11.610 -7.642 1.541 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.670 -6.170 1.687 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.642 -5.090 1.578 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -12.587 -5.414 -0.144 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -14.346 -6.824 -0.019 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -13.596 -7.749 1.267 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -14.492 -6.328 2.968 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -14.901 -5.069 1.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -16.855 -6.301 2.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -16.569 -6.538 0.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -16.173 -7.758 1.957 1.00 0.00 H new ATOM 1076 N GLN A 71 -12.122 -6.986 -2.180 1.00 0.00 N ATOM 1077 CA GLN A 71 -13.042 -7.541 -3.157 1.00 0.00 C ATOM 1078 C GLN A 71 -12.288 -8.278 -4.258 1.00 0.00 C ATOM 1079 O GLN A 71 -12.761 -9.282 -4.788 1.00 0.00 O ATOM 1080 CB GLN A 71 -13.909 -6.436 -3.760 1.00 0.00 C ATOM 1081 CG GLN A 71 -15.179 -6.165 -2.972 1.00 0.00 C ATOM 1082 CD GLN A 71 -15.776 -4.810 -3.287 1.00 0.00 C ATOM 1083 OE1 GLN A 71 -16.898 -4.711 -3.782 1.00 0.00 O ATOM 1084 NE2 GLN A 71 -15.020 -3.758 -3.004 1.00 0.00 N ATOM 0 H GLN A 71 -11.943 -5.987 -2.285 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.687 -8.256 -2.646 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -13.325 -5.518 -3.819 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -14.176 -6.710 -4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -15.912 -6.942 -3.191 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -14.961 -6.224 -1.906 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -14.095 -3.890 -2.594 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -15.363 -2.817 -3.196 1.00 0.00 H new ATOM 1093 N ARG A 72 -11.114 -7.762 -4.597 1.00 0.00 N ATOM 1094 CA ARG A 72 -10.281 -8.356 -5.640 1.00 0.00 C ATOM 1095 C ARG A 72 -9.259 -9.321 -5.057 1.00 0.00 C ATOM 1096 O ARG A 72 -9.343 -10.534 -5.247 1.00 0.00 O ATOM 1097 CB ARG A 72 -9.550 -7.265 -6.425 1.00 0.00 C ATOM 1098 CG ARG A 72 -10.455 -6.429 -7.314 1.00 0.00 C ATOM 1099 CD ARG A 72 -9.947 -5.001 -7.433 1.00 0.00 C ATOM 1100 NE ARG A 72 -10.531 -4.304 -8.575 1.00 0.00 N ATOM 1101 CZ ARG A 72 -11.761 -3.795 -8.585 1.00 0.00 C ATOM 1102 NH1 ARG A 72 -12.537 -3.898 -7.512 1.00 0.00 N ATOM 1103 NH2 ARG A 72 -12.216 -3.179 -9.668 1.00 0.00 N ATOM 0 H ARG A 72 -10.714 -6.930 -4.164 1.00 0.00 H new ATOM 0 HA ARG A 72 -10.942 -8.910 -6.306 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -9.040 -6.606 -5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -8.781 -7.730 -7.042 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -10.513 -6.880 -8.304 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.466 -6.425 -6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -10.180 -4.456 -6.518 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -8.861 -5.010 -7.531 1.00 0.00 H new ATOM 0 HE ARG A 72 -9.963 -4.201 -9.416 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -12.191 -4.369 -6.676 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -13.479 -3.506 -7.524 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.623 -3.095 -10.494 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -13.159 -2.789 -9.675 1.00 0.00 H new ATOM 1117 N HIS A 73 -8.291 -8.757 -4.358 1.00 0.00 N ATOM 1118 CA HIS A 73 -7.222 -9.536 -3.742 1.00 0.00 C ATOM 1119 C HIS A 73 -7.242 -9.390 -2.223 1.00 0.00 C ATOM 1120 O HIS A 73 -6.411 -8.687 -1.649 1.00 0.00 O ATOM 1121 CB HIS A 73 -5.856 -9.096 -4.288 1.00 0.00 C ATOM 1122 CG HIS A 73 -5.571 -7.631 -4.127 1.00 0.00 C ATOM 1123 ND1 HIS A 73 -4.425 -7.168 -3.531 1.00 0.00 N ATOM 1124 CD2 HIS A 73 -6.279 -6.528 -4.472 1.00 0.00 C ATOM 1125 CE1 HIS A 73 -4.438 -5.851 -3.508 1.00 0.00 C ATOM 1126 NE2 HIS A 73 -5.553 -5.437 -4.073 1.00 0.00 N ATOM 0 H HIS A 73 -8.220 -7.752 -4.199 1.00 0.00 H new ATOM 0 HA HIS A 73 -7.387 -10.584 -3.991 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.075 -9.664 -3.782 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -5.801 -9.351 -5.346 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.238 -6.512 -4.969 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.666 -5.218 -3.096 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -5.831 -4.463 -4.194 1.00 0.00 H new ATOM 1135 N PRO A 74 -8.199 -10.049 -1.547 1.00 0.00 N ATOM 1136 CA PRO A 74 -8.318 -9.977 -0.089 1.00 0.00 C ATOM 1137 C PRO A 74 -7.251 -10.800 0.632 1.00 0.00 C ATOM 1138 O PRO A 74 -7.572 -11.681 1.430 1.00 0.00 O ATOM 1139 CB PRO A 74 -9.707 -10.554 0.179 1.00 0.00 C ATOM 1140 CG PRO A 74 -9.959 -11.486 -0.957 1.00 0.00 C ATOM 1141 CD PRO A 74 -9.243 -10.903 -2.148 1.00 0.00 C ATOM 0 HA PRO A 74 -8.181 -8.960 0.278 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -9.740 -11.077 1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -10.461 -9.768 0.220 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -9.587 -12.485 -0.730 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -11.027 -11.580 -1.153 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -8.810 -11.682 -2.776 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -9.919 -10.325 -2.778 1.00 0.00 H new ATOM 1149 N MET A 75 -5.985 -10.507 0.354 1.00 0.00 N ATOM 1150 CA MET A 75 -4.879 -11.223 0.986 1.00 0.00 C ATOM 1151 C MET A 75 -3.622 -10.362 1.025 1.00 0.00 C ATOM 1152 O MET A 75 -2.898 -10.338 2.021 1.00 0.00 O ATOM 1153 CB MET A 75 -4.586 -12.532 0.245 1.00 0.00 C ATOM 1154 CG MET A 75 -5.810 -13.406 0.024 1.00 0.00 C ATOM 1155 SD MET A 75 -5.476 -14.802 -1.070 1.00 0.00 S ATOM 1156 CE MET A 75 -4.858 -16.015 0.094 1.00 0.00 C ATOM 0 H MET A 75 -5.698 -9.781 -0.303 1.00 0.00 H new ATOM 0 HA MET A 75 -5.177 -11.454 2.009 1.00 0.00 H new ATOM 0 HB2 MET A 75 -4.140 -12.298 -0.722 1.00 0.00 H new ATOM 0 HB3 MET A 75 -3.845 -13.099 0.809 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.164 -13.779 0.985 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.612 -12.801 -0.399 1.00 0.00 H new ATOM 0 HE1 MET A 75 -4.609 -16.934 -0.436 1.00 0.00 H new ATOM 0 HE2 MET A 75 -3.966 -15.626 0.585 1.00 0.00 H new ATOM 0 HE3 MET A 75 -5.623 -16.224 0.842 1.00 0.00 H new ATOM 1166 N LEU A 76 -3.374 -9.665 -0.071 1.00 0.00 N ATOM 1167 CA LEU A 76 -2.206 -8.797 -0.196 1.00 0.00 C ATOM 1168 C LEU A 76 -2.175 -7.722 0.891 1.00 0.00 C ATOM 1169 O LEU A 76 -3.108 -6.927 1.014 1.00 0.00 O ATOM 1170 CB LEU A 76 -2.222 -8.137 -1.563 1.00 0.00 C ATOM 1171 CG LEU A 76 -0.863 -7.779 -2.143 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -1.025 -7.350 -3.590 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -0.207 -6.683 -1.318 1.00 0.00 C ATOM 0 H LEU A 76 -3.971 -9.682 -0.898 1.00 0.00 H new ATOM 0 HA LEU A 76 -1.313 -9.411 -0.078 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.729 -8.803 -2.261 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -2.819 -7.227 -1.499 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.214 -8.654 -2.110 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -0.050 -7.094 -4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -1.461 -8.167 -4.165 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.681 -6.481 -3.641 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.765 -6.438 -1.746 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.840 -5.796 -1.323 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.075 -7.029 -0.293 1.00 0.00 H new ATOM 1185 N PRO A 77 -1.093 -7.676 1.691 1.00 0.00 N ATOM 1186 CA PRO A 77 -0.939 -6.687 2.765 1.00 0.00 C ATOM 1187 C PRO A 77 -0.972 -5.252 2.247 1.00 0.00 C ATOM 1188 O PRO A 77 -0.126 -4.843 1.451 1.00 0.00 O ATOM 1189 CB PRO A 77 0.434 -7.009 3.368 1.00 0.00 C ATOM 1190 CG PRO A 77 1.138 -7.814 2.330 1.00 0.00 C ATOM 1191 CD PRO A 77 0.066 -8.580 1.613 1.00 0.00 C ATOM 0 HA PRO A 77 -1.755 -6.747 3.485 1.00 0.00 H new ATOM 0 HB2 PRO A 77 0.985 -6.098 3.601 1.00 0.00 H new ATOM 0 HB3 PRO A 77 0.334 -7.568 4.299 1.00 0.00 H new ATOM 0 HG2 PRO A 77 1.687 -7.171 1.642 1.00 0.00 H new ATOM 0 HG3 PRO A 77 1.864 -8.488 2.784 1.00 0.00 H new ATOM 0 HD2 PRO A 77 0.343 -8.793 0.581 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -0.136 -9.538 2.093 1.00 0.00 H new ATOM 1199 N VAL A 78 -1.957 -4.491 2.714 1.00 0.00 N ATOM 1200 CA VAL A 78 -2.116 -3.099 2.315 1.00 0.00 C ATOM 1201 C VAL A 78 -1.545 -2.163 3.373 1.00 0.00 C ATOM 1202 O VAL A 78 -1.579 -2.464 4.567 1.00 0.00 O ATOM 1203 CB VAL A 78 -3.596 -2.723 2.093 1.00 0.00 C ATOM 1204 CG1 VAL A 78 -3.701 -1.452 1.267 1.00 0.00 C ATOM 1205 CG2 VAL A 78 -4.365 -3.860 1.429 1.00 0.00 C ATOM 0 H VAL A 78 -2.662 -4.819 3.374 1.00 0.00 H new ATOM 0 HA VAL A 78 -1.574 -2.988 1.376 1.00 0.00 H new ATOM 0 HB VAL A 78 -4.047 -2.544 3.069 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.751 -1.200 1.119 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -3.202 -0.636 1.790 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -3.225 -1.607 0.299 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.404 -3.562 1.287 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -3.917 -4.086 0.461 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.325 -4.746 2.063 1.00 0.00 H new ATOM 1215 N ILE A 79 -1.028 -1.026 2.929 1.00 0.00 N ATOM 1216 CA ILE A 79 -0.456 -0.037 3.833 1.00 0.00 C ATOM 1217 C ILE A 79 -0.831 1.366 3.381 1.00 0.00 C ATOM 1218 O ILE A 79 -0.421 1.815 2.312 1.00 0.00 O ATOM 1219 CB ILE A 79 1.080 -0.137 3.904 1.00 0.00 C ATOM 1220 CG1 ILE A 79 1.536 -1.595 4.016 1.00 0.00 C ATOM 1221 CG2 ILE A 79 1.611 0.677 5.074 1.00 0.00 C ATOM 1222 CD1 ILE A 79 2.740 -1.907 3.157 1.00 0.00 C ATOM 0 H ILE A 79 -0.993 -0.764 1.944 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.863 -0.240 4.824 1.00 0.00 H new ATOM 0 HB ILE A 79 1.487 0.272 2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.772 -1.817 5.057 1.00 0.00 H new ATOM 0 HG13 ILE A 79 0.713 -2.250 3.730 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.697 0.596 5.110 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.329 1.722 4.948 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.188 0.297 6.004 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.014 -2.955 3.281 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.500 -1.716 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.576 -1.276 3.459 1.00 0.00 H new ATOM 1234 N ILE A 80 -1.629 2.052 4.184 1.00 0.00 N ATOM 1235 CA ILE A 80 -2.070 3.396 3.833 1.00 0.00 C ATOM 1236 C ILE A 80 -1.162 4.474 4.423 1.00 0.00 C ATOM 1237 O ILE A 80 -0.558 4.289 5.479 1.00 0.00 O ATOM 1238 CB ILE A 80 -3.523 3.633 4.282 1.00 0.00 C ATOM 1239 CG1 ILE A 80 -4.400 2.453 3.860 1.00 0.00 C ATOM 1240 CG2 ILE A 80 -4.063 4.931 3.700 1.00 0.00 C ATOM 1241 CD1 ILE A 80 -4.364 2.183 2.375 1.00 0.00 C ATOM 0 H ILE A 80 -1.983 1.706 5.076 1.00 0.00 H new ATOM 0 HA ILE A 80 -2.014 3.470 2.747 1.00 0.00 H new ATOM 0 HB ILE A 80 -3.541 3.716 5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -4.075 1.559 4.393 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -5.429 2.648 4.162 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.091 5.078 4.031 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -3.450 5.765 4.040 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.036 4.881 2.611 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -5.007 1.334 2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -4.717 3.063 1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -3.342 1.957 2.071 1.00 0.00 H new ATOM 1253 N MET A 81 -1.056 5.594 3.706 1.00 0.00 N ATOM 1254 CA MET A 81 -0.195 6.708 4.131 1.00 0.00 C ATOM 1255 C MET A 81 -0.890 7.657 5.107 1.00 0.00 C ATOM 1256 O MET A 81 -0.232 8.483 5.733 1.00 0.00 O ATOM 1257 CB MET A 81 0.327 7.512 2.930 1.00 0.00 C ATOM 1258 CG MET A 81 -0.485 7.360 1.653 1.00 0.00 C ATOM 1259 SD MET A 81 0.241 6.174 0.500 1.00 0.00 S ATOM 1260 CE MET A 81 0.556 4.769 1.562 1.00 0.00 C ATOM 0 H MET A 81 -1.553 5.757 2.830 1.00 0.00 H new ATOM 0 HA MET A 81 0.645 6.245 4.649 1.00 0.00 H new ATOM 0 HB2 MET A 81 0.354 8.567 3.202 1.00 0.00 H new ATOM 0 HB3 MET A 81 1.354 7.209 2.728 1.00 0.00 H new ATOM 0 HG2 MET A 81 -1.496 7.041 1.906 1.00 0.00 H new ATOM 0 HG3 MET A 81 -0.570 8.330 1.164 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.274 4.104 1.082 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.961 5.115 2.513 1.00 0.00 H new ATOM 0 HE3 MET A 81 -0.375 4.230 1.739 1.00 0.00 H new ATOM 1270 N THR A 82 -2.205 7.555 5.244 1.00 0.00 N ATOM 1271 CA THR A 82 -2.932 8.428 6.166 1.00 0.00 C ATOM 1272 C THR A 82 -4.140 7.703 6.756 1.00 0.00 C ATOM 1273 O THR A 82 -4.603 6.709 6.203 1.00 0.00 O ATOM 1274 CB THR A 82 -3.379 9.708 5.452 1.00 0.00 C ATOM 1275 OG1 THR A 82 -2.374 10.162 4.561 1.00 0.00 O ATOM 1276 CG2 THR A 82 -3.685 10.850 6.400 1.00 0.00 C ATOM 0 H THR A 82 -2.787 6.887 4.738 1.00 0.00 H new ATOM 0 HA THR A 82 -2.260 8.699 6.980 1.00 0.00 H new ATOM 0 HB THR A 82 -4.292 9.435 4.923 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.794 10.573 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 82 -3.995 11.724 5.828 1.00 0.00 H new ATOM 0 HG22 THR A 82 -4.487 10.556 7.077 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.793 11.092 6.978 1.00 0.00 H new ATOM 1284 N ALA A 83 -4.650 8.202 7.878 1.00 0.00 N ATOM 1285 CA ALA A 83 -5.808 7.592 8.526 1.00 0.00 C ATOM 1286 C ALA A 83 -6.568 8.612 9.371 1.00 0.00 C ATOM 1287 O ALA A 83 -6.628 8.498 10.596 1.00 0.00 O ATOM 1288 CB ALA A 83 -5.387 6.404 9.381 1.00 0.00 C ATOM 0 H ALA A 83 -4.282 9.024 8.357 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.476 7.235 7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -6.266 5.966 9.854 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.903 5.657 8.752 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.690 6.738 10.150 1.00 0.00 H new ATOM 1294 N HIS A 84 -7.152 9.611 8.713 1.00 0.00 N ATOM 1295 CA HIS A 84 -7.907 10.640 9.425 1.00 0.00 C ATOM 1296 C HIS A 84 -9.298 10.126 9.811 1.00 0.00 C ATOM 1297 O HIS A 84 -9.465 9.503 10.860 1.00 0.00 O ATOM 1298 CB HIS A 84 -8.012 11.942 8.603 1.00 0.00 C ATOM 1299 CG HIS A 84 -7.948 11.764 7.110 1.00 0.00 C ATOM 1300 ND1 HIS A 84 -8.895 11.393 6.211 1.00 0.00 N flip ATOM 1301 CD2 HIS A 84 -6.805 12.003 6.375 1.00 0.00 C flip ATOM 1302 CE1 HIS A 84 -8.311 11.415 4.970 1.00 0.00 C flip ATOM 1303 NE2 HIS A 84 -7.051 11.786 5.095 1.00 0.00 N flip ATOM 0 H HIS A 84 -7.118 9.730 7.701 1.00 0.00 H new ATOM 0 HA HIS A 84 -7.361 10.873 10.339 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -8.950 12.437 8.854 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -7.207 12.611 8.908 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -5.856 12.319 6.783 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -8.803 11.168 4.041 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -6.381 11.888 4.333 1.00 0.00 H new ATOM 1312 N SER A 85 -10.290 10.390 8.966 1.00 0.00 N ATOM 1313 CA SER A 85 -11.658 9.956 9.224 1.00 0.00 C ATOM 1314 C SER A 85 -11.986 8.675 8.463 1.00 0.00 C ATOM 1315 O SER A 85 -11.130 8.100 7.790 1.00 0.00 O ATOM 1316 CB SER A 85 -12.640 11.059 8.823 1.00 0.00 C ATOM 1317 OG SER A 85 -13.352 11.542 9.948 1.00 0.00 O ATOM 0 H SER A 85 -10.171 10.905 8.093 1.00 0.00 H new ATOM 0 HA SER A 85 -11.751 9.753 10.291 1.00 0.00 H new ATOM 0 HB2 SER A 85 -12.098 11.879 8.352 1.00 0.00 H new ATOM 0 HB3 SER A 85 -13.341 10.674 8.083 1.00 0.00 H new ATOM 0 HG SER A 85 -13.971 12.247 9.665 1.00 0.00 H new ATOM 1323 N ASP A 86 -13.237 8.237 8.578 1.00 0.00 N ATOM 1324 CA ASP A 86 -13.697 7.027 7.906 1.00 0.00 C ATOM 1325 C ASP A 86 -12.884 5.804 8.331 1.00 0.00 C ATOM 1326 O ASP A 86 -12.953 4.758 7.688 1.00 0.00 O ATOM 1327 CB ASP A 86 -13.618 7.202 6.387 1.00 0.00 C ATOM 1328 CG ASP A 86 -14.545 8.287 5.873 1.00 0.00 C ATOM 1329 OD1 ASP A 86 -15.504 8.639 6.591 1.00 0.00 O ATOM 1330 OD2 ASP A 86 -14.310 8.785 4.752 1.00 0.00 O ATOM 0 H ASP A 86 -13.953 8.705 9.133 1.00 0.00 H new ATOM 0 HA ASP A 86 -14.734 6.861 8.198 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -12.593 7.443 6.106 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -13.868 6.258 5.903 1.00 0.00 H new ATOM 1335 N LEU A 87 -12.121 5.938 9.419 1.00 0.00 N ATOM 1336 CA LEU A 87 -11.295 4.843 9.932 1.00 0.00 C ATOM 1337 C LEU A 87 -12.051 3.514 9.950 1.00 0.00 C ATOM 1338 O LEU A 87 -11.447 2.443 9.908 1.00 0.00 O ATOM 1339 CB LEU A 87 -10.803 5.176 11.342 1.00 0.00 C ATOM 1340 CG LEU A 87 -9.297 5.024 11.552 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -8.868 3.585 11.304 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.536 5.975 10.640 1.00 0.00 C ATOM 0 H LEU A 87 -12.059 6.798 9.963 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.445 4.732 9.259 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -11.086 6.202 11.577 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.321 4.532 12.053 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.063 5.278 12.586 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.793 3.494 11.458 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.391 2.925 11.996 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -9.113 3.304 10.280 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -7.465 5.855 10.801 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.774 5.750 9.600 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.824 7.002 10.864 1.00 0.00 H new ATOM 1354 N ASP A 88 -13.375 3.592 10.028 1.00 0.00 N ATOM 1355 CA ASP A 88 -14.217 2.398 10.070 1.00 0.00 C ATOM 1356 C ASP A 88 -13.836 1.389 8.986 1.00 0.00 C ATOM 1357 O ASP A 88 -13.789 0.187 9.243 1.00 0.00 O ATOM 1358 CB ASP A 88 -15.692 2.778 9.925 1.00 0.00 C ATOM 1359 CG ASP A 88 -16.607 1.579 10.074 1.00 0.00 C ATOM 1360 OD1 ASP A 88 -16.693 0.776 9.120 1.00 0.00 O ATOM 1361 OD2 ASP A 88 -17.234 1.438 11.146 1.00 0.00 O ATOM 0 H ASP A 88 -13.891 4.471 10.064 1.00 0.00 H new ATOM 0 HA ASP A 88 -14.055 1.926 11.039 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.949 3.525 10.676 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -15.853 3.238 8.950 1.00 0.00 H new ATOM 1366 N ALA A 89 -13.574 1.874 7.775 1.00 0.00 N ATOM 1367 CA ALA A 89 -13.210 0.991 6.674 1.00 0.00 C ATOM 1368 C ALA A 89 -11.824 0.392 6.872 1.00 0.00 C ATOM 1369 O ALA A 89 -11.503 -0.647 6.295 1.00 0.00 O ATOM 1370 CB ALA A 89 -13.282 1.720 5.343 1.00 0.00 C ATOM 0 H ALA A 89 -13.607 2.865 7.534 1.00 0.00 H new ATOM 0 HA ALA A 89 -13.933 0.175 6.663 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -13.006 1.038 4.539 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -14.298 2.080 5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -12.594 2.566 5.354 1.00 0.00 H new ATOM 1376 N ALA A 90 -11.005 1.041 7.694 1.00 0.00 N ATOM 1377 CA ALA A 90 -9.660 0.544 7.957 1.00 0.00 C ATOM 1378 C ALA A 90 -9.729 -0.818 8.622 1.00 0.00 C ATOM 1379 O ALA A 90 -8.958 -1.721 8.298 1.00 0.00 O ATOM 1380 CB ALA A 90 -8.873 1.506 8.839 1.00 0.00 C ATOM 0 H ALA A 90 -11.246 1.902 8.184 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.144 0.459 7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -7.875 1.105 9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -8.793 2.473 8.342 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -9.388 1.630 9.792 1.00 0.00 H new ATOM 1386 N VAL A 91 -10.659 -0.958 9.561 1.00 0.00 N ATOM 1387 CA VAL A 91 -10.821 -2.211 10.276 1.00 0.00 C ATOM 1388 C VAL A 91 -11.112 -3.363 9.322 1.00 0.00 C ATOM 1389 O VAL A 91 -10.598 -4.467 9.497 1.00 0.00 O ATOM 1390 CB VAL A 91 -11.932 -2.139 11.334 1.00 0.00 C ATOM 1391 CG1 VAL A 91 -11.861 -3.362 12.235 1.00 0.00 C ATOM 1392 CG2 VAL A 91 -11.818 -0.857 12.148 1.00 0.00 C ATOM 0 H VAL A 91 -11.307 -0.222 9.841 1.00 0.00 H new ATOM 0 HA VAL A 91 -9.873 -2.393 10.783 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.900 -2.128 10.832 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.650 -3.308 12.985 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -11.991 -4.263 11.636 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -10.891 -3.393 12.731 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -12.614 -0.826 12.892 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -10.851 -0.830 12.651 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -11.907 0.004 11.485 1.00 0.00 H new ATOM 1402 N SER A 92 -11.928 -3.100 8.307 1.00 0.00 N ATOM 1403 CA SER A 92 -12.267 -4.121 7.324 1.00 0.00 C ATOM 1404 C SER A 92 -11.012 -4.590 6.601 1.00 0.00 C ATOM 1405 O SER A 92 -10.854 -5.771 6.290 1.00 0.00 O ATOM 1406 CB SER A 92 -13.275 -3.573 6.310 1.00 0.00 C ATOM 1407 OG SER A 92 -12.628 -2.786 5.324 1.00 0.00 O ATOM 0 H SER A 92 -12.365 -2.193 8.144 1.00 0.00 H new ATOM 0 HA SER A 92 -12.716 -4.966 7.845 1.00 0.00 H new ATOM 0 HB2 SER A 92 -13.802 -4.399 5.833 1.00 0.00 H new ATOM 0 HB3 SER A 92 -14.025 -2.972 6.825 1.00 0.00 H new ATOM 0 HG SER A 92 -12.466 -1.887 5.678 1.00 0.00 H new ATOM 1413 N ALA A 93 -10.119 -3.647 6.339 1.00 0.00 N ATOM 1414 CA ALA A 93 -8.875 -3.945 5.653 1.00 0.00 C ATOM 1415 C ALA A 93 -8.101 -5.047 6.360 1.00 0.00 C ATOM 1416 O ALA A 93 -7.576 -5.956 5.724 1.00 0.00 O ATOM 1417 CB ALA A 93 -8.036 -2.685 5.528 1.00 0.00 C ATOM 0 H ALA A 93 -10.236 -2.666 6.593 1.00 0.00 H new ATOM 0 HA ALA A 93 -9.114 -4.308 4.653 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -7.104 -2.918 5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -8.588 -1.935 4.961 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -7.813 -2.296 6.522 1.00 0.00 H new ATOM 1423 N TYR A 94 -8.036 -4.968 7.677 1.00 0.00 N ATOM 1424 CA TYR A 94 -7.324 -5.979 8.458 1.00 0.00 C ATOM 1425 C TYR A 94 -7.923 -7.359 8.217 1.00 0.00 C ATOM 1426 O TYR A 94 -7.265 -8.379 8.418 1.00 0.00 O ATOM 1427 CB TYR A 94 -7.370 -5.657 9.954 1.00 0.00 C ATOM 1428 CG TYR A 94 -6.921 -4.259 10.293 1.00 0.00 C ATOM 1429 CD1 TYR A 94 -5.647 -3.817 9.970 1.00 0.00 C ATOM 1430 CD2 TYR A 94 -7.779 -3.379 10.934 1.00 0.00 C ATOM 1431 CE1 TYR A 94 -5.239 -2.534 10.280 1.00 0.00 C ATOM 1432 CE2 TYR A 94 -7.381 -2.093 11.246 1.00 0.00 C ATOM 1433 CZ TYR A 94 -6.110 -1.675 10.916 1.00 0.00 C ATOM 1434 OH TYR A 94 -5.709 -0.395 11.223 1.00 0.00 O ATOM 0 H TYR A 94 -8.461 -4.224 8.230 1.00 0.00 H new ATOM 0 HA TYR A 94 -6.284 -5.974 8.132 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -8.389 -5.798 10.315 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -6.741 -6.369 10.488 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.963 -4.486 9.468 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -8.776 -3.704 11.194 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -4.242 -2.205 10.025 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.062 -1.420 11.745 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.442 0.080 11.668 1.00 0.00 H new ATOM 1444 N GLN A 95 -9.177 -7.378 7.783 1.00 0.00 N ATOM 1445 CA GLN A 95 -9.870 -8.631 7.513 1.00 0.00 C ATOM 1446 C GLN A 95 -9.321 -9.286 6.250 1.00 0.00 C ATOM 1447 O GLN A 95 -9.106 -10.497 6.208 1.00 0.00 O ATOM 1448 CB GLN A 95 -11.390 -8.390 7.411 1.00 0.00 C ATOM 1449 CG GLN A 95 -11.958 -8.386 5.993 1.00 0.00 C ATOM 1450 CD GLN A 95 -12.985 -7.295 5.778 1.00 0.00 C ATOM 1451 OE1 GLN A 95 -12.820 -6.540 4.698 1.00 0.00 O flip ATOM 1452 NE2 GLN A 95 -13.911 -7.130 6.572 1.00 0.00 N flip ATOM 0 H GLN A 95 -9.734 -6.541 7.611 1.00 0.00 H new ATOM 0 HA GLN A 95 -9.695 -9.317 8.342 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -11.903 -9.160 7.988 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -11.622 -7.434 7.880 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -11.143 -8.258 5.280 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -12.414 -9.354 5.786 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -13.997 -7.735 7.388 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -14.593 -6.388 6.414 1.00 0.00 H new ATOM 1461 N GLN A 96 -9.098 -8.475 5.221 1.00 0.00 N ATOM 1462 CA GLN A 96 -8.579 -8.974 3.958 1.00 0.00 C ATOM 1463 C GLN A 96 -7.085 -9.276 4.056 1.00 0.00 C ATOM 1464 O GLN A 96 -6.539 -10.010 3.232 1.00 0.00 O ATOM 1465 CB GLN A 96 -8.834 -7.964 2.840 1.00 0.00 C ATOM 1466 CG GLN A 96 -8.177 -6.617 3.083 1.00 0.00 C ATOM 1467 CD GLN A 96 -7.345 -6.150 1.910 1.00 0.00 C ATOM 1468 OE1 GLN A 96 -7.868 -5.571 0.958 1.00 0.00 O ATOM 1469 NE2 GLN A 96 -6.041 -6.399 1.977 1.00 0.00 N ATOM 0 H GLN A 96 -9.269 -7.470 5.239 1.00 0.00 H new ATOM 0 HA GLN A 96 -9.102 -9.902 3.726 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.467 -8.374 1.899 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -9.909 -7.821 2.728 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -8.947 -5.875 3.294 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -7.545 -6.681 3.968 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -5.655 -6.882 2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -5.426 -6.107 1.217 1.00 0.00 H new ATOM 1478 N GLY A 97 -6.430 -8.718 5.071 1.00 0.00 N ATOM 1479 CA GLY A 97 -5.009 -8.956 5.253 1.00 0.00 C ATOM 1480 C GLY A 97 -4.176 -7.686 5.230 1.00 0.00 C ATOM 1481 O GLY A 97 -2.956 -7.749 5.088 1.00 0.00 O ATOM 0 H GLY A 97 -6.856 -8.108 5.768 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.853 -9.467 6.203 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.657 -9.626 4.469 1.00 0.00 H new ATOM 1485 N ALA A 98 -4.824 -6.531 5.380 1.00 0.00 N ATOM 1486 CA ALA A 98 -4.107 -5.258 5.384 1.00 0.00 C ATOM 1487 C ALA A 98 -3.032 -5.253 6.465 1.00 0.00 C ATOM 1488 O ALA A 98 -3.194 -5.890 7.505 1.00 0.00 O ATOM 1489 CB ALA A 98 -5.068 -4.102 5.604 1.00 0.00 C ATOM 0 H ALA A 98 -5.834 -6.451 5.499 1.00 0.00 H new ATOM 0 HA ALA A 98 -3.629 -5.136 4.412 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -4.514 -3.163 5.604 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -5.808 -4.087 4.804 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -5.572 -4.225 6.562 1.00 0.00 H new ATOM 1495 N PHE A 99 -1.932 -4.541 6.225 1.00 0.00 N ATOM 1496 CA PHE A 99 -0.858 -4.487 7.204 1.00 0.00 C ATOM 1497 C PHE A 99 -1.178 -3.497 8.320 1.00 0.00 C ATOM 1498 O PHE A 99 -1.143 -3.852 9.498 1.00 0.00 O ATOM 1499 CB PHE A 99 0.475 -4.113 6.551 1.00 0.00 C ATOM 1500 CG PHE A 99 1.622 -4.122 7.523 1.00 0.00 C ATOM 1501 CD1 PHE A 99 2.022 -5.304 8.128 1.00 0.00 C ATOM 1502 CD2 PHE A 99 2.292 -2.951 7.843 1.00 0.00 C ATOM 1503 CE1 PHE A 99 3.066 -5.318 9.033 1.00 0.00 C ATOM 1504 CE2 PHE A 99 3.339 -2.960 8.746 1.00 0.00 C ATOM 1505 CZ PHE A 99 3.726 -4.145 9.341 1.00 0.00 C ATOM 0 H PHE A 99 -1.766 -4.003 5.374 1.00 0.00 H new ATOM 0 HA PHE A 99 -0.768 -5.485 7.633 1.00 0.00 H new ATOM 0 HB2 PHE A 99 0.686 -4.811 5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 99 0.391 -3.122 6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 99 1.511 -6.225 7.889 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.993 -2.021 7.382 1.00 0.00 H new ATOM 0 HE1 PHE A 99 3.365 -6.245 9.499 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.854 -2.041 8.986 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.544 -4.154 10.046 1.00 0.00 H new ATOM 1515 N ASP A 100 -1.494 -2.256 7.948 1.00 0.00 N ATOM 1516 CA ASP A 100 -1.821 -1.224 8.933 1.00 0.00 C ATOM 1517 C ASP A 100 -2.025 0.140 8.272 1.00 0.00 C ATOM 1518 O ASP A 100 -2.300 0.230 7.075 1.00 0.00 O ATOM 1519 CB ASP A 100 -0.723 -1.131 10.000 1.00 0.00 C ATOM 1520 CG ASP A 100 -1.291 -1.017 11.401 1.00 0.00 C ATOM 1521 OD1 ASP A 100 -1.592 -2.067 12.007 1.00 0.00 O ATOM 1522 OD2 ASP A 100 -1.437 0.122 11.892 1.00 0.00 O ATOM 0 H ASP A 100 -1.530 -1.942 6.978 1.00 0.00 H new ATOM 0 HA ASP A 100 -2.758 -1.512 9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -0.085 -2.013 9.940 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -0.092 -0.266 9.795 1.00 0.00 H new ATOM 1527 N TYR A 101 -1.892 1.197 9.071 1.00 0.00 N ATOM 1528 CA TYR A 101 -2.065 2.559 8.582 1.00 0.00 C ATOM 1529 C TYR A 101 -0.907 3.443 9.042 1.00 0.00 C ATOM 1530 O TYR A 101 -0.599 3.514 10.232 1.00 0.00 O ATOM 1531 CB TYR A 101 -3.403 3.128 9.070 1.00 0.00 C ATOM 1532 CG TYR A 101 -4.508 3.036 8.039 1.00 0.00 C ATOM 1533 CD1 TYR A 101 -5.168 1.837 7.785 1.00 0.00 C ATOM 1534 CD2 TYR A 101 -4.880 4.154 7.307 1.00 0.00 C ATOM 1535 CE1 TYR A 101 -6.166 1.761 6.831 1.00 0.00 C ATOM 1536 CE2 TYR A 101 -5.879 4.086 6.354 1.00 0.00 C ATOM 1537 CZ TYR A 101 -6.517 2.887 6.119 1.00 0.00 C ATOM 1538 OH TYR A 101 -7.509 2.810 5.167 1.00 0.00 O ATOM 0 H TYR A 101 -1.664 1.133 10.063 1.00 0.00 H new ATOM 0 HA TYR A 101 -2.070 2.542 7.492 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -3.710 2.594 9.969 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -3.264 4.172 9.351 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -4.896 0.952 8.342 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.380 5.095 7.485 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -6.668 0.823 6.645 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -6.158 4.968 5.796 1.00 0.00 H new ATOM 0 HH TYR A 101 -8.154 2.117 5.422 1.00 0.00 H new ATOM 1548 N LEU A 102 -0.259 4.100 8.085 1.00 0.00 N ATOM 1549 CA LEU A 102 0.881 4.970 8.373 1.00 0.00 C ATOM 1550 C LEU A 102 0.476 6.436 8.325 1.00 0.00 C ATOM 1551 O LEU A 102 -0.288 6.839 7.457 1.00 0.00 O ATOM 1552 CB LEU A 102 1.990 4.715 7.344 1.00 0.00 C ATOM 1553 CG LEU A 102 3.210 5.646 7.420 1.00 0.00 C ATOM 1554 CD1 LEU A 102 4.263 5.085 8.368 1.00 0.00 C ATOM 1555 CD2 LEU A 102 3.802 5.856 6.029 1.00 0.00 C ATOM 0 H LEU A 102 -0.505 4.047 7.096 1.00 0.00 H new ATOM 0 HA LEU A 102 1.241 4.744 9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.335 3.687 7.459 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.558 4.796 6.347 1.00 0.00 H new ATOM 0 HG LEU A 102 2.882 6.609 7.810 1.00 0.00 H new ATOM 0 HD11 LEU A 102 5.117 5.762 8.405 1.00 0.00 H new ATOM 0 HD12 LEU A 102 3.837 4.984 9.366 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.590 4.108 8.012 1.00 0.00 H new ATOM 0 HD21 LEU A 102 4.666 6.518 6.097 1.00 0.00 H new ATOM 0 HD22 LEU A 102 4.112 4.896 5.617 1.00 0.00 H new ATOM 0 HD23 LEU A 102 3.052 6.305 5.378 1.00 0.00 H new ATOM 1567 N PRO A 103 0.999 7.267 9.242 1.00 0.00 N ATOM 1568 CA PRO A 103 0.694 8.699 9.256 1.00 0.00 C ATOM 1569 C PRO A 103 1.044 9.333 7.909 1.00 0.00 C ATOM 1570 O PRO A 103 1.727 8.714 7.092 1.00 0.00 O ATOM 1571 CB PRO A 103 1.578 9.247 10.388 1.00 0.00 C ATOM 1572 CG PRO A 103 2.614 8.196 10.612 1.00 0.00 C ATOM 1573 CD PRO A 103 1.934 6.894 10.312 1.00 0.00 C ATOM 0 HA PRO A 103 -0.362 8.915 9.417 1.00 0.00 H new ATOM 0 HB2 PRO A 103 2.033 10.197 10.108 1.00 0.00 H new ATOM 0 HB3 PRO A 103 0.996 9.426 11.292 1.00 0.00 H new ATOM 0 HG2 PRO A 103 3.475 8.348 9.961 1.00 0.00 H new ATOM 0 HG3 PRO A 103 2.982 8.220 11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 103 2.642 6.132 9.986 1.00 0.00 H new ATOM 0 HD3 PRO A 103 1.416 6.496 11.184 1.00 0.00 H new ATOM 1581 N LYS A 104 0.551 10.545 7.659 1.00 0.00 N ATOM 1582 CA LYS A 104 0.791 11.224 6.381 1.00 0.00 C ATOM 1583 C LYS A 104 2.232 11.087 5.883 1.00 0.00 C ATOM 1584 O LYS A 104 2.450 10.826 4.700 1.00 0.00 O ATOM 1585 CB LYS A 104 0.401 12.698 6.450 1.00 0.00 C ATOM 1586 CG LYS A 104 -0.324 13.177 5.199 1.00 0.00 C ATOM 1587 CD LYS A 104 0.466 12.863 3.931 1.00 0.00 C ATOM 1588 CE LYS A 104 -0.025 11.585 3.258 1.00 0.00 C ATOM 1589 NZ LYS A 104 0.350 11.533 1.815 1.00 0.00 N ATOM 0 H LYS A 104 -0.015 11.077 8.320 1.00 0.00 H new ATOM 0 HA LYS A 104 0.152 10.718 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -0.237 12.860 7.319 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.298 13.300 6.597 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.304 12.704 5.143 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -0.492 14.252 5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 104 0.380 13.697 3.234 1.00 0.00 H new ATOM 0 HD3 LYS A 104 1.523 12.761 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 104 0.394 10.720 3.773 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -1.109 11.518 3.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -0.398 11.048 1.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 0.464 12.500 1.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 1.245 11.015 1.707 1.00 0.00 H new ATOM 1603 N PRO A 105 3.247 11.249 6.756 1.00 0.00 N ATOM 1604 CA PRO A 105 4.646 11.127 6.340 1.00 0.00 C ATOM 1605 C PRO A 105 4.853 9.875 5.497 1.00 0.00 C ATOM 1606 O PRO A 105 3.987 9.002 5.464 1.00 0.00 O ATOM 1607 CB PRO A 105 5.397 11.032 7.667 1.00 0.00 C ATOM 1608 CG PRO A 105 4.549 11.802 8.620 1.00 0.00 C ATOM 1609 CD PRO A 105 3.123 11.568 8.189 1.00 0.00 C ATOM 0 HA PRO A 105 4.985 11.956 5.719 1.00 0.00 H new ATOM 0 HB2 PRO A 105 5.515 9.996 7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 105 6.398 11.457 7.590 1.00 0.00 H new ATOM 0 HG2 PRO A 105 4.708 11.464 9.644 1.00 0.00 H new ATOM 0 HG3 PRO A 105 4.796 12.863 8.592 1.00 0.00 H new ATOM 0 HD2 PRO A 105 2.665 10.750 8.744 1.00 0.00 H new ATOM 0 HD3 PRO A 105 2.504 12.450 8.352 1.00 0.00 H new ATOM 1617 N PHE A 106 5.968 9.801 4.785 1.00 0.00 N ATOM 1618 CA PHE A 106 6.218 8.659 3.921 1.00 0.00 C ATOM 1619 C PHE A 106 7.697 8.556 3.540 1.00 0.00 C ATOM 1620 O PHE A 106 8.476 7.934 4.257 1.00 0.00 O ATOM 1621 CB PHE A 106 5.326 8.762 2.675 1.00 0.00 C ATOM 1622 CG PHE A 106 4.763 7.449 2.217 1.00 0.00 C ATOM 1623 CD1 PHE A 106 3.823 6.775 2.982 1.00 0.00 C ATOM 1624 CD2 PHE A 106 5.172 6.891 1.017 1.00 0.00 C ATOM 1625 CE1 PHE A 106 3.304 5.569 2.557 1.00 0.00 C ATOM 1626 CE2 PHE A 106 4.656 5.684 0.587 1.00 0.00 C ATOM 1627 CZ PHE A 106 3.721 5.022 1.358 1.00 0.00 C ATOM 0 H PHE A 106 6.704 10.507 4.788 1.00 0.00 H new ATOM 0 HA PHE A 106 5.970 7.746 4.462 1.00 0.00 H new ATOM 0 HB2 PHE A 106 4.503 9.445 2.886 1.00 0.00 H new ATOM 0 HB3 PHE A 106 5.904 9.201 1.862 1.00 0.00 H new ATOM 0 HD1 PHE A 106 3.494 7.198 3.920 1.00 0.00 H new ATOM 0 HD2 PHE A 106 5.903 7.406 0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 106 2.572 5.053 3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 106 4.983 5.259 -0.350 1.00 0.00 H new ATOM 0 HZ PHE A 106 3.316 4.078 1.025 1.00 0.00 H new ATOM 1637 N ASP A 107 8.086 9.157 2.410 1.00 0.00 N ATOM 1638 CA ASP A 107 9.473 9.107 1.951 1.00 0.00 C ATOM 1639 C ASP A 107 10.057 7.703 2.130 1.00 0.00 C ATOM 1640 O ASP A 107 9.366 6.783 2.553 1.00 0.00 O ATOM 1641 CB ASP A 107 10.321 10.143 2.697 1.00 0.00 C ATOM 1642 CG ASP A 107 10.646 9.725 4.120 1.00 0.00 C ATOM 1643 OD1 ASP A 107 9.774 9.881 4.999 1.00 0.00 O ATOM 1644 OD2 ASP A 107 11.773 9.242 4.350 1.00 0.00 O ATOM 0 H ASP A 107 7.459 9.682 1.800 1.00 0.00 H new ATOM 0 HA ASP A 107 9.489 9.347 0.888 1.00 0.00 H new ATOM 0 HB2 ASP A 107 11.250 10.307 2.150 1.00 0.00 H new ATOM 0 HB3 ASP A 107 9.790 11.095 2.715 1.00 0.00 H new ATOM 1649 N ILE A 108 11.327 7.539 1.806 1.00 0.00 N ATOM 1650 CA ILE A 108 11.966 6.239 1.940 1.00 0.00 C ATOM 1651 C ILE A 108 12.102 5.843 3.398 1.00 0.00 C ATOM 1652 O ILE A 108 11.823 4.707 3.782 1.00 0.00 O ATOM 1653 CB ILE A 108 13.338 6.231 1.224 1.00 0.00 C ATOM 1654 CG1 ILE A 108 13.153 5.816 -0.232 1.00 0.00 C ATOM 1655 CG2 ILE A 108 14.363 5.326 1.906 1.00 0.00 C ATOM 1656 CD1 ILE A 108 11.945 6.450 -0.887 1.00 0.00 C ATOM 0 H ILE A 108 11.932 8.280 1.452 1.00 0.00 H new ATOM 0 HA ILE A 108 11.330 5.496 1.459 1.00 0.00 H new ATOM 0 HB ILE A 108 13.736 7.244 1.278 1.00 0.00 H new ATOM 0 HG12 ILE A 108 14.046 6.085 -0.796 1.00 0.00 H new ATOM 0 HG13 ILE A 108 13.058 4.731 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE A 108 15.304 5.363 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 108 14.526 5.667 2.929 1.00 0.00 H new ATOM 0 HG23 ILE A 108 13.992 4.301 1.920 1.00 0.00 H new ATOM 0 HD11 ILE A 108 11.873 6.112 -1.921 1.00 0.00 H new ATOM 0 HD12 ILE A 108 11.044 6.160 -0.347 1.00 0.00 H new ATOM 0 HD13 ILE A 108 12.047 7.535 -0.866 1.00 0.00 H new ATOM 1668 N ASP A 109 12.533 6.787 4.201 1.00 0.00 N ATOM 1669 CA ASP A 109 12.716 6.548 5.623 1.00 0.00 C ATOM 1670 C ASP A 109 11.448 5.992 6.273 1.00 0.00 C ATOM 1671 O ASP A 109 11.485 4.933 6.892 1.00 0.00 O ATOM 1672 CB ASP A 109 13.143 7.838 6.326 1.00 0.00 C ATOM 1673 CG ASP A 109 14.009 7.575 7.543 1.00 0.00 C ATOM 1674 OD1 ASP A 109 15.126 7.043 7.374 1.00 0.00 O ATOM 1675 OD2 ASP A 109 13.568 7.900 8.665 1.00 0.00 O ATOM 0 H ASP A 109 12.766 7.733 3.898 1.00 0.00 H new ATOM 0 HA ASP A 109 13.501 5.800 5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.690 8.467 5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 109 12.256 8.394 6.628 1.00 0.00 H new ATOM 1680 N GLU A 110 10.338 6.723 6.159 1.00 0.00 N ATOM 1681 CA GLU A 110 9.082 6.308 6.769 1.00 0.00 C ATOM 1682 C GLU A 110 8.358 5.223 5.969 1.00 0.00 C ATOM 1683 O GLU A 110 7.620 4.420 6.543 1.00 0.00 O ATOM 1684 CB GLU A 110 8.162 7.520 6.962 1.00 0.00 C ATOM 1685 CG GLU A 110 8.842 8.714 7.612 1.00 0.00 C ATOM 1686 CD GLU A 110 8.683 8.728 9.121 1.00 0.00 C ATOM 1687 OE1 GLU A 110 8.826 7.654 9.743 1.00 0.00 O ATOM 1688 OE2 GLU A 110 8.416 9.813 9.680 1.00 0.00 O ATOM 0 H GLU A 110 10.287 7.605 5.649 1.00 0.00 H new ATOM 0 HA GLU A 110 9.332 5.874 7.737 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.768 7.823 5.992 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.310 7.223 7.573 1.00 0.00 H new ATOM 0 HG2 GLU A 110 9.903 8.703 7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 110 8.427 9.633 7.198 1.00 0.00 H new ATOM 1695 N ALA A 111 8.556 5.189 4.656 1.00 0.00 N ATOM 1696 CA ALA A 111 7.891 4.188 3.835 1.00 0.00 C ATOM 1697 C ALA A 111 8.664 2.879 3.831 1.00 0.00 C ATOM 1698 O ALA A 111 8.112 1.828 4.158 1.00 0.00 O ATOM 1699 CB ALA A 111 7.672 4.696 2.422 1.00 0.00 C ATOM 0 H ALA A 111 9.161 5.832 4.145 1.00 0.00 H new ATOM 0 HA ALA A 111 6.913 3.996 4.276 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.174 3.927 1.832 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.051 5.592 2.449 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.634 4.935 1.968 1.00 0.00 H new ATOM 1705 N VAL A 112 9.946 2.937 3.481 1.00 0.00 N ATOM 1706 CA VAL A 112 10.766 1.734 3.469 1.00 0.00 C ATOM 1707 C VAL A 112 10.759 1.088 4.844 1.00 0.00 C ATOM 1708 O VAL A 112 10.818 -0.133 4.982 1.00 0.00 O ATOM 1709 CB VAL A 112 12.216 2.019 3.055 1.00 0.00 C ATOM 1710 CG1 VAL A 112 12.998 0.716 2.965 1.00 0.00 C ATOM 1711 CG2 VAL A 112 12.250 2.770 1.736 1.00 0.00 C ATOM 0 H VAL A 112 10.432 3.791 3.206 1.00 0.00 H new ATOM 0 HA VAL A 112 10.333 1.060 2.730 1.00 0.00 H new ATOM 0 HB VAL A 112 12.686 2.648 3.811 1.00 0.00 H new ATOM 0 HG11 VAL A 112 14.026 0.928 2.671 1.00 0.00 H new ATOM 0 HG12 VAL A 112 12.993 0.221 3.936 1.00 0.00 H new ATOM 0 HG13 VAL A 112 12.535 0.064 2.224 1.00 0.00 H new ATOM 0 HG21 VAL A 112 13.285 2.965 1.455 1.00 0.00 H new ATOM 0 HG22 VAL A 112 11.771 2.169 0.963 1.00 0.00 H new ATOM 0 HG23 VAL A 112 11.718 3.716 1.842 1.00 0.00 H new ATOM 1721 N ALA A 113 10.662 1.928 5.858 1.00 0.00 N ATOM 1722 CA ALA A 113 10.613 1.465 7.231 1.00 0.00 C ATOM 1723 C ALA A 113 9.417 0.551 7.422 1.00 0.00 C ATOM 1724 O ALA A 113 9.530 -0.558 7.939 1.00 0.00 O ATOM 1725 CB ALA A 113 10.497 2.654 8.165 1.00 0.00 C ATOM 0 H ALA A 113 10.615 2.942 5.754 1.00 0.00 H new ATOM 0 HA ALA A 113 11.526 0.914 7.457 1.00 0.00 H new ATOM 0 HB1 ALA A 113 10.460 2.304 9.197 1.00 0.00 H new ATOM 0 HB2 ALA A 113 11.361 3.306 8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 113 9.586 3.208 7.937 1.00 0.00 H new ATOM 1731 N LEU A 114 8.264 1.055 7.012 1.00 0.00 N ATOM 1732 CA LEU A 114 7.013 0.329 7.138 1.00 0.00 C ATOM 1733 C LEU A 114 6.858 -0.771 6.089 1.00 0.00 C ATOM 1734 O LEU A 114 6.061 -1.690 6.274 1.00 0.00 O ATOM 1735 CB LEU A 114 5.837 1.297 7.049 1.00 0.00 C ATOM 1736 CG LEU A 114 4.497 0.730 7.520 1.00 0.00 C ATOM 1737 CD1 LEU A 114 4.558 0.322 8.984 1.00 0.00 C ATOM 1738 CD2 LEU A 114 3.395 1.746 7.313 1.00 0.00 C ATOM 0 H LEU A 114 8.170 1.976 6.584 1.00 0.00 H new ATOM 0 HA LEU A 114 7.025 -0.157 8.113 1.00 0.00 H new ATOM 0 HB2 LEU A 114 6.069 2.182 7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 114 5.733 1.624 6.015 1.00 0.00 H new ATOM 0 HG LEU A 114 4.281 -0.158 6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.591 -0.077 9.291 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.325 -0.441 9.117 1.00 0.00 H new ATOM 0 HD13 LEU A 114 4.802 1.192 9.594 1.00 0.00 H new ATOM 0 HD21 LEU A 114 2.447 1.329 7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 114 3.620 2.648 7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 114 3.323 1.995 6.254 1.00 0.00 H new ATOM 1750 N VAL A 115 7.596 -0.681 4.985 1.00 0.00 N ATOM 1751 CA VAL A 115 7.479 -1.694 3.937 1.00 0.00 C ATOM 1752 C VAL A 115 8.253 -2.960 4.287 1.00 0.00 C ATOM 1753 O VAL A 115 7.727 -4.068 4.181 1.00 0.00 O ATOM 1754 CB VAL A 115 7.931 -1.180 2.547 1.00 0.00 C ATOM 1755 CG1 VAL A 115 9.447 -1.141 2.429 1.00 0.00 C ATOM 1756 CG2 VAL A 115 7.342 -2.054 1.451 1.00 0.00 C ATOM 0 H VAL A 115 8.266 0.064 4.794 1.00 0.00 H new ATOM 0 HA VAL A 115 6.416 -1.929 3.878 1.00 0.00 H new ATOM 0 HB VAL A 115 7.563 -0.160 2.433 1.00 0.00 H new ATOM 0 HG11 VAL A 115 9.726 -0.775 1.441 1.00 0.00 H new ATOM 0 HG12 VAL A 115 9.854 -0.476 3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 115 9.849 -2.144 2.571 1.00 0.00 H new ATOM 0 HG21 VAL A 115 7.665 -1.685 0.478 1.00 0.00 H new ATOM 0 HG22 VAL A 115 7.684 -3.081 1.581 1.00 0.00 H new ATOM 0 HG23 VAL A 115 6.254 -2.024 1.507 1.00 0.00 H new ATOM 1766 N GLU A 116 9.503 -2.793 4.699 1.00 0.00 N ATOM 1767 CA GLU A 116 10.343 -3.928 5.055 1.00 0.00 C ATOM 1768 C GLU A 116 9.796 -4.647 6.283 1.00 0.00 C ATOM 1769 O GLU A 116 9.709 -5.874 6.307 1.00 0.00 O ATOM 1770 CB GLU A 116 11.778 -3.465 5.300 1.00 0.00 C ATOM 1771 CG GLU A 116 12.519 -3.105 4.023 1.00 0.00 C ATOM 1772 CD GLU A 116 13.757 -2.270 4.281 1.00 0.00 C ATOM 1773 OE1 GLU A 116 13.783 -1.545 5.298 1.00 0.00 O ATOM 1774 OE2 GLU A 116 14.700 -2.338 3.465 1.00 0.00 O ATOM 0 H GLU A 116 9.956 -1.884 4.795 1.00 0.00 H new ATOM 0 HA GLU A 116 10.339 -4.632 4.223 1.00 0.00 H new ATOM 0 HB2 GLU A 116 11.765 -2.598 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 116 12.323 -4.253 5.819 1.00 0.00 H new ATOM 0 HG2 GLU A 116 12.804 -4.020 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 116 11.848 -2.558 3.360 1.00 0.00 H new ATOM 1781 N ARG A 117 9.420 -3.877 7.299 1.00 0.00 N ATOM 1782 CA ARG A 117 8.874 -4.450 8.521 1.00 0.00 C ATOM 1783 C ARG A 117 7.560 -5.171 8.241 1.00 0.00 C ATOM 1784 O ARG A 117 7.161 -6.071 8.983 1.00 0.00 O ATOM 1785 CB ARG A 117 8.664 -3.361 9.574 1.00 0.00 C ATOM 1786 CG ARG A 117 9.959 -2.716 10.041 1.00 0.00 C ATOM 1787 CD ARG A 117 9.775 -1.984 11.358 1.00 0.00 C ATOM 1788 NE ARG A 117 9.508 -2.907 12.457 1.00 0.00 N ATOM 1789 CZ ARG A 117 8.293 -3.156 12.944 1.00 0.00 C ATOM 1790 NH1 ARG A 117 7.228 -2.528 12.461 1.00 0.00 N ATOM 1791 NH2 ARG A 117 8.145 -4.038 13.924 1.00 0.00 N ATOM 0 H ARG A 117 9.483 -2.859 7.299 1.00 0.00 H new ATOM 0 HA ARG A 117 9.590 -5.176 8.905 1.00 0.00 H new ATOM 0 HB2 ARG A 117 8.010 -2.591 9.164 1.00 0.00 H new ATOM 0 HB3 ARG A 117 8.150 -3.791 10.434 1.00 0.00 H new ATOM 0 HG2 ARG A 117 10.727 -3.481 10.153 1.00 0.00 H new ATOM 0 HG3 ARG A 117 10.313 -2.018 9.282 1.00 0.00 H new ATOM 0 HD2 ARG A 117 10.671 -1.404 11.580 1.00 0.00 H new ATOM 0 HD3 ARG A 117 8.951 -1.276 11.269 1.00 0.00 H new ATOM 0 HE ARG A 117 10.301 -3.391 12.878 1.00 0.00 H new ATOM 0 HH11 ARG A 117 7.335 -1.847 11.709 1.00 0.00 H new ATOM 0 HH12 ARG A 117 6.303 -2.727 12.841 1.00 0.00 H new ATOM 0 HH21 ARG A 117 8.959 -4.522 14.302 1.00 0.00 H new ATOM 0 HH22 ARG A 117 7.217 -4.232 14.300 1.00 0.00 H new ATOM 1805 N ALA A 118 6.894 -4.773 7.164 1.00 0.00 N ATOM 1806 CA ALA A 118 5.629 -5.378 6.778 1.00 0.00 C ATOM 1807 C ALA A 118 5.844 -6.757 6.163 1.00 0.00 C ATOM 1808 O ALA A 118 5.214 -7.733 6.569 1.00 0.00 O ATOM 1809 CB ALA A 118 4.885 -4.474 5.808 1.00 0.00 C ATOM 0 H ALA A 118 7.212 -4.031 6.541 1.00 0.00 H new ATOM 0 HA ALA A 118 5.025 -5.501 7.677 1.00 0.00 H new ATOM 0 HB1 ALA A 118 3.940 -4.940 5.528 1.00 0.00 H new ATOM 0 HB2 ALA A 118 4.689 -3.513 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 118 5.492 -4.320 4.916 1.00 0.00 H new ATOM 1815 N ILE A 119 6.737 -6.829 5.181 1.00 0.00 N ATOM 1816 CA ILE A 119 7.032 -8.089 4.514 1.00 0.00 C ATOM 1817 C ILE A 119 7.685 -9.073 5.473 1.00 0.00 C ATOM 1818 O ILE A 119 7.513 -10.286 5.355 1.00 0.00 O ATOM 1819 CB ILE A 119 7.960 -7.877 3.304 1.00 0.00 C ATOM 1820 CG1 ILE A 119 7.426 -6.762 2.407 1.00 0.00 C ATOM 1821 CG2 ILE A 119 8.112 -9.167 2.516 1.00 0.00 C ATOM 1822 CD1 ILE A 119 8.516 -5.901 1.813 1.00 0.00 C ATOM 0 H ILE A 119 7.267 -6.031 4.831 1.00 0.00 H new ATOM 0 HA ILE A 119 6.082 -8.497 4.168 1.00 0.00 H new ATOM 0 HB ILE A 119 8.942 -7.581 3.673 1.00 0.00 H new ATOM 0 HG12 ILE A 119 6.840 -7.203 1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 119 6.749 -6.133 2.985 1.00 0.00 H new ATOM 0 HG21 ILE A 119 8.771 -8.998 1.665 1.00 0.00 H new ATOM 0 HG22 ILE A 119 8.539 -9.937 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 119 7.135 -9.493 2.159 1.00 0.00 H new ATOM 0 HD11 ILE A 119 8.069 -5.129 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 119 9.087 -5.433 2.615 1.00 0.00 H new ATOM 0 HD13 ILE A 119 9.179 -6.520 1.208 1.00 0.00 H new ATOM 1834 N SER A 120 8.435 -8.534 6.422 1.00 0.00 N ATOM 1835 CA SER A 120 9.127 -9.344 7.414 1.00 0.00 C ATOM 1836 C SER A 120 8.143 -9.963 8.402 1.00 0.00 C ATOM 1837 O SER A 120 8.251 -11.139 8.748 1.00 0.00 O ATOM 1838 CB SER A 120 10.153 -8.495 8.164 1.00 0.00 C ATOM 1839 OG SER A 120 11.002 -9.303 8.962 1.00 0.00 O ATOM 0 H SER A 120 8.581 -7.530 6.527 1.00 0.00 H new ATOM 0 HA SER A 120 9.640 -10.151 6.892 1.00 0.00 H new ATOM 0 HB2 SER A 120 10.751 -7.928 7.451 1.00 0.00 H new ATOM 0 HB3 SER A 120 9.638 -7.770 8.795 1.00 0.00 H new ATOM 0 HG SER A 120 11.649 -8.735 9.429 1.00 0.00 H new ATOM 1845 N HIS A 121 7.187 -9.159 8.854 1.00 0.00 N ATOM 1846 CA HIS A 121 6.185 -9.625 9.806 1.00 0.00 C ATOM 1847 C HIS A 121 5.127 -10.475 9.116 1.00 0.00 C ATOM 1848 O HIS A 121 4.514 -11.345 9.733 1.00 0.00 O ATOM 1849 CB HIS A 121 5.526 -8.437 10.507 1.00 0.00 C ATOM 1850 CG HIS A 121 6.338 -7.884 11.638 1.00 0.00 C ATOM 1851 ND1 HIS A 121 7.534 -7.223 11.451 1.00 0.00 N ATOM 1852 CD2 HIS A 121 6.119 -7.892 12.974 1.00 0.00 C ATOM 1853 CE1 HIS A 121 8.016 -6.850 12.624 1.00 0.00 C ATOM 1854 NE2 HIS A 121 7.175 -7.244 13.563 1.00 0.00 N ATOM 0 H HIS A 121 7.085 -8.183 8.577 1.00 0.00 H new ATOM 0 HA HIS A 121 6.689 -10.243 10.549 1.00 0.00 H new ATOM 0 HB2 HIS A 121 5.349 -7.647 9.777 1.00 0.00 H new ATOM 0 HB3 HIS A 121 4.551 -8.744 10.886 1.00 0.00 H new ATOM 0 HD1 HIS A 121 7.977 -7.049 10.549 1.00 0.00 H new ATOM 0 HD2 HIS A 121 5.271 -8.327 13.482 1.00 0.00 H new ATOM 0 HE1 HIS A 121 8.940 -6.315 12.787 1.00 0.00 H new ATOM 1863 N TYR A 122 4.916 -10.214 7.834 1.00 0.00 N ATOM 1864 CA TYR A 122 3.931 -10.951 7.059 1.00 0.00 C ATOM 1865 C TYR A 122 4.479 -12.306 6.624 1.00 0.00 C ATOM 1866 O TYR A 122 3.890 -13.346 6.913 1.00 0.00 O ATOM 1867 CB TYR A 122 3.501 -10.147 5.832 1.00 0.00 C ATOM 1868 CG TYR A 122 2.170 -10.584 5.266 1.00 0.00 C ATOM 1869 CD1 TYR A 122 1.051 -10.702 6.083 1.00 0.00 C ATOM 1870 CD2 TYR A 122 2.032 -10.883 3.917 1.00 0.00 C ATOM 1871 CE1 TYR A 122 -0.167 -11.105 5.569 1.00 0.00 C ATOM 1872 CE2 TYR A 122 0.818 -11.286 3.397 1.00 0.00 C ATOM 1873 CZ TYR A 122 -0.279 -11.396 4.226 1.00 0.00 C ATOM 1874 OH TYR A 122 -1.492 -11.797 3.710 1.00 0.00 O ATOM 0 H TYR A 122 5.415 -9.496 7.309 1.00 0.00 H new ATOM 0 HA TYR A 122 3.063 -11.117 7.697 1.00 0.00 H new ATOM 0 HB2 TYR A 122 3.445 -9.092 6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 122 4.264 -10.240 5.060 1.00 0.00 H new ATOM 0 HD1 TYR A 122 1.135 -10.475 7.136 1.00 0.00 H new ATOM 0 HD2 TYR A 122 2.888 -10.799 3.264 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.027 -11.192 6.216 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.728 -11.514 2.345 1.00 0.00 H new ATOM 0 HH TYR A 122 -1.889 -11.062 3.198 1.00 0.00 H new ATOM 1884 N GLN A 123 5.610 -12.285 5.925 1.00 0.00 N ATOM 1885 CA GLN A 123 6.237 -13.513 5.449 1.00 0.00 C ATOM 1886 C GLN A 123 5.285 -14.297 4.550 1.00 0.00 C ATOM 1887 O GLN A 123 4.103 -13.970 4.446 1.00 0.00 O ATOM 1888 CB GLN A 123 6.669 -14.380 6.632 1.00 0.00 C ATOM 1889 CG GLN A 123 7.883 -15.246 6.340 1.00 0.00 C ATOM 1890 CD GLN A 123 8.712 -15.522 7.578 1.00 0.00 C ATOM 1891 OE1 GLN A 123 8.732 -16.641 8.089 1.00 0.00 O ATOM 1892 NE2 GLN A 123 9.400 -14.498 8.069 1.00 0.00 N ATOM 0 H GLN A 123 6.110 -11.432 5.676 1.00 0.00 H new ATOM 0 HA GLN A 123 7.117 -13.240 4.866 1.00 0.00 H new ATOM 0 HB2 GLN A 123 6.889 -13.735 7.483 1.00 0.00 H new ATOM 0 HB3 GLN A 123 5.838 -15.021 6.925 1.00 0.00 H new ATOM 0 HG2 GLN A 123 7.555 -16.192 5.908 1.00 0.00 H new ATOM 0 HG3 GLN A 123 8.505 -14.753 5.593 1.00 0.00 H new ATOM 0 HE21 GLN A 123 9.354 -13.587 7.613 1.00 0.00 H new ATOM 0 HE22 GLN A 123 9.975 -14.622 8.903 1.00 0.00 H new ATOM 1901 N GLU A 124 5.806 -15.335 3.904 1.00 0.00 N ATOM 1902 CA GLU A 124 5.002 -16.166 3.016 1.00 0.00 C ATOM 1903 C GLU A 124 5.663 -17.522 2.791 1.00 0.00 C ATOM 1904 O GLU A 124 6.428 -17.998 3.630 1.00 0.00 O ATOM 1905 CB GLU A 124 4.790 -15.460 1.675 1.00 0.00 C ATOM 1906 CG GLU A 124 3.759 -16.138 0.786 1.00 0.00 C ATOM 1907 CD GLU A 124 2.598 -15.227 0.436 1.00 0.00 C ATOM 1908 OE1 GLU A 124 1.619 -15.187 1.211 1.00 0.00 O ATOM 1909 OE2 GLU A 124 2.667 -14.554 -0.614 1.00 0.00 O ATOM 0 H GLU A 124 6.782 -15.621 3.979 1.00 0.00 H new ATOM 0 HA GLU A 124 4.034 -16.329 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 124 4.478 -14.432 1.860 1.00 0.00 H new ATOM 0 HB3 GLU A 124 5.741 -15.414 1.144 1.00 0.00 H new ATOM 0 HG2 GLU A 124 4.241 -16.474 -0.132 1.00 0.00 H new ATOM 0 HG3 GLU A 124 3.379 -17.027 1.290 1.00 0.00 H new TER 1916 GLU A 124 HETATM 1917 BE BEF A 125 -2.127 10.172 0.142 1.00 0.00 BE HETATM 1918 F1 BEF A 125 -2.074 9.933 1.610 1.00 0.00 F HETATM 1919 F2 BEF A 125 -3.461 10.711 -0.222 1.00 0.00 F HETATM 1920 F3 BEF A 125 -1.079 11.151 -0.243 1.00 0.00 F