USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 615 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 NoAdj-H: A 39 HIS HD1 : A 39 HIS ND1 : A 401 ZNZN :(H bumps) USER MOD Set 1.1: A 55 ASN : amide:sc= 0.00409 K(o=-0.039,f=-1) USER MOD Set 1.2: A 61 ASN : amide:sc= -0.0427 K(o=-0.039,f=-0.97) USER MOD Single : A 1 GLY N :NH3+ -101:sc= 0.0585 (180deg=0) USER MOD Single : A 2 SER OG : rot 13:sc= 0.427 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot 93:sc= 0.00256 USER MOD Single : A 30 LYS NZ :NH3+ -108:sc= -1.02 (180deg=-3.48!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 38 ASN : amide:sc= -0.0334 K(o=-0.033,f=-1.4) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 92:sc= 1.32 USER MOD Single : A 49 ASN : amide:sc= -0.138 K(o=-0.14,f=-0.67) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.0019) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 ASN : amide:sc= -0.0591 K(o=-0.059,f=-2!) USER MOD Single : A 75 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0206) USER MOD Single : A 77 ASN : amide:sc= -0.991 K(o=-0.99,f=-8.4!) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -2.8! C(o=-4.3!,f=-2.8!) USER MOD Single : A 82 ASN : amide:sc= -1.88 K(o=-1.9,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.563 20.279 -12.843 1.00 0.00 N ATOM 2 CA GLY A 1 16.749 19.122 -13.167 1.00 0.00 C ATOM 3 C GLY A 1 17.553 18.009 -13.810 1.00 0.00 C ATOM 4 O GLY A 1 18.635 18.247 -14.347 1.00 0.00 O ATOM 0 H1 GLY A 1 17.788 20.272 -11.828 1.00 0.00 H new ATOM 0 H2 GLY A 1 18.445 20.248 -13.394 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.040 21.147 -13.075 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.278 18.747 -12.258 1.00 0.00 H new ATOM 0 HA3 GLY A 1 15.947 19.423 -13.841 1.00 0.00 H new ATOM 8 N SER A 2 17.025 16.791 -13.754 1.00 0.00 N ATOM 9 CA SER A 2 17.703 15.636 -14.331 1.00 0.00 C ATOM 10 C SER A 2 16.697 14.566 -14.743 1.00 0.00 C ATOM 11 O SER A 2 15.497 14.700 -14.504 1.00 0.00 O ATOM 12 CB SER A 2 18.704 15.054 -13.331 1.00 0.00 C ATOM 13 OG SER A 2 19.894 15.823 -13.295 1.00 0.00 O ATOM 0 H SER A 2 16.129 16.578 -13.315 1.00 0.00 H new ATOM 0 HA SER A 2 18.240 15.967 -15.220 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.256 15.025 -12.338 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.940 14.026 -13.604 1.00 0.00 H new ATOM 0 HG SER A 2 19.746 16.676 -13.754 1.00 0.00 H new ATOM 19 N SER A 3 17.196 13.502 -15.364 1.00 0.00 N ATOM 20 CA SER A 3 16.342 12.408 -15.814 1.00 0.00 C ATOM 21 C SER A 3 17.154 11.133 -16.017 1.00 0.00 C ATOM 22 O SER A 3 18.302 11.178 -16.458 1.00 0.00 O ATOM 23 CB SER A 3 15.634 12.789 -17.116 1.00 0.00 C ATOM 24 OG SER A 3 14.370 12.156 -17.212 1.00 0.00 O ATOM 0 H SER A 3 18.187 13.374 -15.567 1.00 0.00 H new ATOM 0 HA SER A 3 15.594 12.222 -15.043 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.507 13.871 -17.162 1.00 0.00 H new ATOM 0 HB3 SER A 3 16.253 12.504 -17.967 1.00 0.00 H new ATOM 0 HG SER A 3 13.937 12.416 -18.051 1.00 0.00 H new ATOM 30 N GLY A 4 16.549 9.995 -15.691 1.00 0.00 N ATOM 31 CA GLY A 4 17.229 8.722 -15.844 1.00 0.00 C ATOM 32 C GLY A 4 16.280 7.544 -15.760 1.00 0.00 C ATOM 33 O GLY A 4 15.153 7.678 -15.282 1.00 0.00 O ATOM 0 H GLY A 4 15.600 9.932 -15.323 1.00 0.00 H new ATOM 0 HA2 GLY A 4 17.744 8.702 -16.804 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.992 8.626 -15.071 1.00 0.00 H new ATOM 37 N SER A 5 16.734 6.385 -16.228 1.00 0.00 N ATOM 38 CA SER A 5 15.915 5.179 -16.208 1.00 0.00 C ATOM 39 C SER A 5 16.752 3.949 -16.547 1.00 0.00 C ATOM 40 O SER A 5 17.888 4.064 -17.006 1.00 0.00 O ATOM 41 CB SER A 5 14.755 5.309 -17.198 1.00 0.00 C ATOM 42 OG SER A 5 13.642 4.536 -16.783 1.00 0.00 O ATOM 0 H SER A 5 17.665 6.256 -16.625 1.00 0.00 H new ATOM 0 HA SER A 5 15.513 5.058 -15.202 1.00 0.00 H new ATOM 0 HB2 SER A 5 14.463 6.355 -17.285 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.079 4.985 -18.187 1.00 0.00 H new ATOM 0 HG SER A 5 12.914 4.637 -17.431 1.00 0.00 H new ATOM 48 N SER A 6 16.181 2.771 -16.316 1.00 0.00 N ATOM 49 CA SER A 6 16.874 1.518 -16.592 1.00 0.00 C ATOM 50 C SER A 6 15.907 0.470 -17.136 1.00 0.00 C ATOM 51 O SER A 6 14.691 0.657 -17.106 1.00 0.00 O ATOM 52 CB SER A 6 17.551 0.995 -15.324 1.00 0.00 C ATOM 53 OG SER A 6 18.556 1.888 -14.877 1.00 0.00 O ATOM 0 H SER A 6 15.240 2.658 -15.938 1.00 0.00 H new ATOM 0 HA SER A 6 17.635 1.711 -17.348 1.00 0.00 H new ATOM 0 HB2 SER A 6 16.806 0.859 -14.540 1.00 0.00 H new ATOM 0 HB3 SER A 6 17.990 0.017 -15.520 1.00 0.00 H new ATOM 0 HG SER A 6 18.972 1.532 -14.064 1.00 0.00 H new ATOM 59 N GLY A 7 16.458 -0.633 -17.632 1.00 0.00 N ATOM 60 CA GLY A 7 15.631 -1.695 -18.175 1.00 0.00 C ATOM 61 C GLY A 7 16.425 -2.950 -18.480 1.00 0.00 C ATOM 62 O GLY A 7 17.651 -2.959 -18.367 1.00 0.00 O ATOM 0 H GLY A 7 17.462 -0.810 -17.668 1.00 0.00 H new ATOM 0 HA2 GLY A 7 14.839 -1.933 -17.465 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.147 -1.344 -19.087 1.00 0.00 H new ATOM 66 N MET A 8 15.726 -4.012 -18.866 1.00 0.00 N ATOM 67 CA MET A 8 16.374 -5.278 -19.188 1.00 0.00 C ATOM 68 C MET A 8 15.389 -6.243 -19.841 1.00 0.00 C ATOM 69 O MET A 8 14.187 -5.984 -19.880 1.00 0.00 O ATOM 70 CB MET A 8 16.963 -5.909 -17.925 1.00 0.00 C ATOM 71 CG MET A 8 15.937 -6.145 -16.829 1.00 0.00 C ATOM 72 SD MET A 8 16.695 -6.585 -15.252 1.00 0.00 S ATOM 73 CE MET A 8 17.045 -8.321 -15.518 1.00 0.00 C ATOM 0 H MET A 8 14.711 -4.021 -18.963 1.00 0.00 H new ATOM 0 HA MET A 8 17.179 -5.076 -19.894 1.00 0.00 H new ATOM 0 HB2 MET A 8 17.428 -6.859 -18.187 1.00 0.00 H new ATOM 0 HB3 MET A 8 17.752 -5.263 -17.540 1.00 0.00 H new ATOM 0 HG2 MET A 8 15.335 -5.245 -16.700 1.00 0.00 H new ATOM 0 HG3 MET A 8 15.259 -6.941 -17.137 1.00 0.00 H new ATOM 0 HE1 MET A 8 17.517 -8.737 -14.628 1.00 0.00 H new ATOM 0 HE2 MET A 8 16.115 -8.853 -15.718 1.00 0.00 H new ATOM 0 HE3 MET A 8 17.716 -8.430 -16.370 1.00 0.00 H new ATOM 83 N ALA A 9 15.907 -7.355 -20.352 1.00 0.00 N ATOM 84 CA ALA A 9 15.073 -8.358 -21.001 1.00 0.00 C ATOM 85 C ALA A 9 15.891 -9.587 -21.385 1.00 0.00 C ATOM 86 O ALA A 9 17.121 -9.545 -21.403 1.00 0.00 O ATOM 87 CB ALA A 9 14.396 -7.768 -22.229 1.00 0.00 C ATOM 0 H ALA A 9 16.901 -7.584 -20.329 1.00 0.00 H new ATOM 0 HA ALA A 9 14.306 -8.671 -20.292 1.00 0.00 H new ATOM 0 HB1 ALA A 9 13.776 -8.529 -22.704 1.00 0.00 H new ATOM 0 HB2 ALA A 9 13.772 -6.926 -21.931 1.00 0.00 H new ATOM 0 HB3 ALA A 9 15.154 -7.426 -22.934 1.00 0.00 H new ATOM 93 N SER A 10 15.199 -10.680 -21.691 1.00 0.00 N ATOM 94 CA SER A 10 15.862 -11.922 -22.070 1.00 0.00 C ATOM 95 C SER A 10 15.135 -12.592 -23.233 1.00 0.00 C ATOM 96 O SER A 10 14.002 -12.238 -23.558 1.00 0.00 O ATOM 97 CB SER A 10 15.926 -12.876 -20.876 1.00 0.00 C ATOM 98 OG SER A 10 17.022 -13.767 -20.993 1.00 0.00 O ATOM 0 H SER A 10 14.180 -10.730 -21.684 1.00 0.00 H new ATOM 0 HA SER A 10 16.877 -11.682 -22.388 1.00 0.00 H new ATOM 0 HB2 SER A 10 16.016 -12.303 -19.953 1.00 0.00 H new ATOM 0 HB3 SER A 10 14.998 -13.443 -20.810 1.00 0.00 H new ATOM 0 HG SER A 10 17.042 -14.365 -20.217 1.00 0.00 H new ATOM 104 N SER A 11 15.797 -13.563 -23.854 1.00 0.00 N ATOM 105 CA SER A 11 15.217 -14.282 -24.983 1.00 0.00 C ATOM 106 C SER A 11 14.729 -15.663 -24.556 1.00 0.00 C ATOM 107 O SER A 11 14.939 -16.653 -25.256 1.00 0.00 O ATOM 108 CB SER A 11 16.242 -14.417 -26.110 1.00 0.00 C ATOM 109 OG SER A 11 16.301 -13.236 -26.892 1.00 0.00 O ATOM 0 H SER A 11 16.735 -13.870 -23.595 1.00 0.00 H new ATOM 0 HA SER A 11 14.363 -13.710 -25.345 1.00 0.00 H new ATOM 0 HB2 SER A 11 17.225 -14.627 -25.688 1.00 0.00 H new ATOM 0 HB3 SER A 11 15.980 -15.264 -26.744 1.00 0.00 H new ATOM 0 HG SER A 11 16.965 -13.348 -27.604 1.00 0.00 H new ATOM 115 N VAL A 12 14.075 -15.721 -23.400 1.00 0.00 N ATOM 116 CA VAL A 12 13.555 -16.979 -22.877 1.00 0.00 C ATOM 117 C VAL A 12 12.521 -17.581 -23.822 1.00 0.00 C ATOM 118 O VAL A 12 11.993 -16.896 -24.699 1.00 0.00 O ATOM 119 CB VAL A 12 12.917 -16.789 -21.488 1.00 0.00 C ATOM 120 CG1 VAL A 12 13.958 -16.326 -20.481 1.00 0.00 C ATOM 121 CG2 VAL A 12 11.761 -15.804 -21.564 1.00 0.00 C ATOM 0 H VAL A 12 13.893 -14.911 -22.808 1.00 0.00 H new ATOM 0 HA VAL A 12 14.402 -17.659 -22.789 1.00 0.00 H new ATOM 0 HB VAL A 12 12.525 -17.749 -21.153 1.00 0.00 H new ATOM 0 HG11 VAL A 12 13.489 -16.197 -19.506 1.00 0.00 H new ATOM 0 HG12 VAL A 12 14.750 -17.072 -20.407 1.00 0.00 H new ATOM 0 HG13 VAL A 12 14.383 -15.377 -20.807 1.00 0.00 H new ATOM 0 HG21 VAL A 12 11.322 -15.681 -20.574 1.00 0.00 H new ATOM 0 HG22 VAL A 12 12.126 -14.841 -21.921 1.00 0.00 H new ATOM 0 HG23 VAL A 12 11.005 -16.183 -22.252 1.00 0.00 H new ATOM 131 N LEU A 13 12.235 -18.865 -23.637 1.00 0.00 N ATOM 132 CA LEU A 13 11.262 -19.560 -24.472 1.00 0.00 C ATOM 133 C LEU A 13 10.200 -20.243 -23.617 1.00 0.00 C ATOM 134 O LEU A 13 10.359 -21.395 -23.216 1.00 0.00 O ATOM 135 CB LEU A 13 11.965 -20.593 -25.355 1.00 0.00 C ATOM 136 CG LEU A 13 11.056 -21.595 -26.069 1.00 0.00 C ATOM 137 CD1 LEU A 13 10.258 -20.905 -27.164 1.00 0.00 C ATOM 138 CD2 LEU A 13 11.875 -22.741 -26.644 1.00 0.00 C ATOM 0 H LEU A 13 12.663 -19.446 -22.916 1.00 0.00 H new ATOM 0 HA LEU A 13 10.771 -18.822 -25.107 1.00 0.00 H new ATOM 0 HB2 LEU A 13 12.548 -20.062 -26.107 1.00 0.00 H new ATOM 0 HB3 LEU A 13 12.671 -21.149 -24.738 1.00 0.00 H new ATOM 0 HG LEU A 13 10.356 -22.005 -25.341 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.617 -21.633 -27.661 1.00 0.00 H new ATOM 0 HD12 LEU A 13 9.643 -20.119 -26.726 1.00 0.00 H new ATOM 0 HD13 LEU A 13 10.942 -20.467 -27.891 1.00 0.00 H new ATOM 0 HD21 LEU A 13 11.213 -23.444 -27.148 1.00 0.00 H new ATOM 0 HD22 LEU A 13 12.599 -22.348 -27.358 1.00 0.00 H new ATOM 0 HD23 LEU A 13 12.401 -23.252 -25.838 1.00 0.00 H new ATOM 150 N GLU A 14 9.115 -19.525 -23.344 1.00 0.00 N ATOM 151 CA GLU A 14 8.026 -20.063 -22.538 1.00 0.00 C ATOM 152 C GLU A 14 6.681 -19.513 -23.004 1.00 0.00 C ATOM 153 O GLU A 14 6.616 -18.469 -23.652 1.00 0.00 O ATOM 154 CB GLU A 14 8.242 -19.729 -21.061 1.00 0.00 C ATOM 155 CG GLU A 14 9.498 -20.350 -20.474 1.00 0.00 C ATOM 156 CD GLU A 14 9.970 -19.639 -19.221 1.00 0.00 C ATOM 157 OE1 GLU A 14 9.629 -18.449 -19.051 1.00 0.00 O ATOM 158 OE2 GLU A 14 10.680 -20.270 -18.411 1.00 0.00 O ATOM 0 H GLU A 14 8.967 -18.570 -23.669 1.00 0.00 H new ATOM 0 HA GLU A 14 8.018 -21.146 -22.661 1.00 0.00 H new ATOM 0 HB2 GLU A 14 8.294 -18.646 -20.946 1.00 0.00 H new ATOM 0 HB3 GLU A 14 7.378 -20.069 -20.490 1.00 0.00 H new ATOM 0 HG2 GLU A 14 9.306 -21.398 -20.242 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.292 -20.329 -21.220 1.00 0.00 H new ATOM 165 N MET A 15 5.609 -20.224 -22.669 1.00 0.00 N ATOM 166 CA MET A 15 4.265 -19.807 -23.052 1.00 0.00 C ATOM 167 C MET A 15 4.120 -18.291 -22.961 1.00 0.00 C ATOM 168 O MET A 15 4.518 -17.678 -21.970 1.00 0.00 O ATOM 169 CB MET A 15 3.224 -20.484 -22.159 1.00 0.00 C ATOM 170 CG MET A 15 3.602 -20.498 -20.687 1.00 0.00 C ATOM 171 SD MET A 15 2.955 -21.939 -19.817 1.00 0.00 S ATOM 172 CE MET A 15 4.368 -23.039 -19.885 1.00 0.00 C ATOM 0 H MET A 15 5.645 -21.091 -22.133 1.00 0.00 H new ATOM 0 HA MET A 15 4.099 -20.110 -24.086 1.00 0.00 H new ATOM 0 HB2 MET A 15 2.269 -19.971 -22.275 1.00 0.00 H new ATOM 0 HB3 MET A 15 3.079 -21.510 -22.498 1.00 0.00 H new ATOM 0 HG2 MET A 15 4.688 -20.480 -20.595 1.00 0.00 H new ATOM 0 HG3 MET A 15 3.227 -19.592 -20.211 1.00 0.00 H new ATOM 0 HE1 MET A 15 4.123 -23.977 -19.386 1.00 0.00 H new ATOM 0 HE2 MET A 15 4.625 -23.237 -20.926 1.00 0.00 H new ATOM 0 HE3 MET A 15 5.217 -22.573 -19.384 1.00 0.00 H new ATOM 182 N ILE A 16 3.549 -17.693 -24.001 1.00 0.00 N ATOM 183 CA ILE A 16 3.351 -16.249 -24.038 1.00 0.00 C ATOM 184 C ILE A 16 2.278 -15.816 -23.045 1.00 0.00 C ATOM 185 O ILE A 16 1.087 -15.822 -23.359 1.00 0.00 O ATOM 186 CB ILE A 16 2.955 -15.771 -25.447 1.00 0.00 C ATOM 187 CG1 ILE A 16 4.127 -15.941 -26.416 1.00 0.00 C ATOM 188 CG2 ILE A 16 2.501 -14.319 -25.405 1.00 0.00 C ATOM 189 CD1 ILE A 16 4.129 -17.272 -27.134 1.00 0.00 C ATOM 0 H ILE A 16 3.215 -18.186 -24.829 1.00 0.00 H new ATOM 0 HA ILE A 16 4.302 -15.793 -23.763 1.00 0.00 H new ATOM 0 HB ILE A 16 2.124 -16.381 -25.802 1.00 0.00 H new ATOM 0 HG12 ILE A 16 4.097 -15.139 -27.154 1.00 0.00 H new ATOM 0 HG13 ILE A 16 5.062 -15.833 -25.866 1.00 0.00 H new ATOM 0 HG21 ILE A 16 2.224 -13.995 -26.408 1.00 0.00 H new ATOM 0 HG22 ILE A 16 1.640 -14.226 -24.743 1.00 0.00 H new ATOM 0 HG23 ILE A 16 3.313 -13.694 -25.033 1.00 0.00 H new ATOM 0 HD11 ILE A 16 4.987 -17.323 -27.804 1.00 0.00 H new ATOM 0 HD12 ILE A 16 4.190 -18.079 -26.404 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.211 -17.375 -27.712 1.00 0.00 H new ATOM 201 N LYS A 17 2.707 -15.438 -21.846 1.00 0.00 N ATOM 202 CA LYS A 17 1.784 -14.998 -20.806 1.00 0.00 C ATOM 203 C LYS A 17 2.043 -13.543 -20.428 1.00 0.00 C ATOM 204 O LYS A 17 2.059 -13.193 -19.249 1.00 0.00 O ATOM 205 CB LYS A 17 1.915 -15.889 -19.568 1.00 0.00 C ATOM 206 CG LYS A 17 1.543 -17.340 -19.821 1.00 0.00 C ATOM 207 CD LYS A 17 0.069 -17.487 -20.159 1.00 0.00 C ATOM 208 CE LYS A 17 -0.338 -18.949 -20.252 1.00 0.00 C ATOM 209 NZ LYS A 17 -1.753 -19.104 -20.690 1.00 0.00 N ATOM 0 H LYS A 17 3.689 -15.427 -21.570 1.00 0.00 H new ATOM 0 HA LYS A 17 0.770 -15.078 -21.198 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.942 -15.844 -19.205 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.279 -15.492 -18.776 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.146 -17.734 -20.639 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.776 -17.936 -18.938 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.531 -16.989 -19.398 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -0.140 -16.989 -21.106 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.318 -19.465 -20.953 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.204 -19.426 -19.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.992 -20.115 -20.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.381 -18.634 -20.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.875 -18.672 -21.628 1.00 0.00 H new ATOM 223 N GLU A 18 2.245 -12.701 -21.437 1.00 0.00 N ATOM 224 CA GLU A 18 2.503 -11.285 -21.209 1.00 0.00 C ATOM 225 C GLU A 18 1.199 -10.523 -20.987 1.00 0.00 C ATOM 226 O GLU A 18 1.017 -9.420 -21.502 1.00 0.00 O ATOM 227 CB GLU A 18 3.261 -10.684 -22.395 1.00 0.00 C ATOM 228 CG GLU A 18 2.456 -10.660 -23.683 1.00 0.00 C ATOM 229 CD GLU A 18 3.312 -10.363 -24.900 1.00 0.00 C ATOM 230 OE1 GLU A 18 4.371 -9.723 -24.738 1.00 0.00 O ATOM 231 OE2 GLU A 18 2.920 -10.772 -26.013 1.00 0.00 O ATOM 0 H GLU A 18 2.235 -12.975 -22.419 1.00 0.00 H new ATOM 0 HA GLU A 18 3.115 -11.194 -20.312 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.561 -9.666 -22.145 1.00 0.00 H new ATOM 0 HB3 GLU A 18 4.175 -11.255 -22.558 1.00 0.00 H new ATOM 0 HG2 GLU A 18 1.962 -11.623 -23.817 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.671 -9.908 -23.603 1.00 0.00 H new ATOM 238 N GLU A 19 0.295 -11.121 -20.218 1.00 0.00 N ATOM 239 CA GLU A 19 -0.993 -10.500 -19.929 1.00 0.00 C ATOM 240 C GLU A 19 -1.241 -10.436 -18.425 1.00 0.00 C ATOM 241 O GLU A 19 -1.699 -9.420 -17.902 1.00 0.00 O ATOM 242 CB GLU A 19 -2.122 -11.275 -20.611 1.00 0.00 C ATOM 243 CG GLU A 19 -2.006 -11.314 -22.126 1.00 0.00 C ATOM 244 CD GLU A 19 -3.249 -11.869 -22.792 1.00 0.00 C ATOM 245 OE1 GLU A 19 -4.364 -11.473 -22.391 1.00 0.00 O ATOM 246 OE2 GLU A 19 -3.109 -12.699 -23.714 1.00 0.00 O ATOM 0 H GLU A 19 0.430 -12.034 -19.784 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.973 -9.483 -20.320 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.132 -12.296 -20.230 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.076 -10.824 -20.340 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -1.818 -10.307 -22.498 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.146 -11.923 -22.405 1.00 0.00 H new ATOM 253 N VAL A 20 -0.936 -11.530 -17.734 1.00 0.00 N ATOM 254 CA VAL A 20 -1.124 -11.599 -16.290 1.00 0.00 C ATOM 255 C VAL A 20 0.108 -11.092 -15.549 1.00 0.00 C ATOM 256 O VAL A 20 0.012 -10.600 -14.424 1.00 0.00 O ATOM 257 CB VAL A 20 -1.428 -13.038 -15.832 1.00 0.00 C ATOM 258 CG1 VAL A 20 -2.758 -13.510 -16.400 1.00 0.00 C ATOM 259 CG2 VAL A 20 -0.302 -13.976 -16.240 1.00 0.00 C ATOM 0 H VAL A 20 -0.558 -12.380 -18.151 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.975 -10.961 -16.052 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.501 -13.046 -14.744 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -2.956 -14.528 -16.066 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -3.556 -12.853 -16.053 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.717 -13.487 -17.489 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.533 -14.988 -15.908 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -0.194 -13.965 -17.325 1.00 0.00 H new ATOM 0 HG23 VAL A 20 0.630 -13.648 -15.780 1.00 0.00 H new ATOM 269 N THR A 21 1.267 -11.214 -16.188 1.00 0.00 N ATOM 270 CA THR A 21 2.520 -10.768 -15.590 1.00 0.00 C ATOM 271 C THR A 21 2.694 -9.261 -15.738 1.00 0.00 C ATOM 272 O THR A 21 2.383 -8.689 -16.784 1.00 0.00 O ATOM 273 CB THR A 21 3.730 -11.478 -16.226 1.00 0.00 C ATOM 274 OG1 THR A 21 3.506 -12.892 -16.260 1.00 0.00 O ATOM 275 CG2 THR A 21 5.002 -11.179 -15.449 1.00 0.00 C ATOM 0 H THR A 21 1.364 -11.618 -17.120 1.00 0.00 H new ATOM 0 HA THR A 21 2.473 -11.023 -14.531 1.00 0.00 H new ATOM 0 HB THR A 21 3.849 -11.105 -17.243 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.101 -13.139 -17.118 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.843 -11.691 -15.917 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.185 -10.104 -15.450 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.891 -11.527 -14.422 1.00 0.00 H new ATOM 283 N CYS A 22 3.194 -8.621 -14.686 1.00 0.00 N ATOM 284 CA CYS A 22 3.410 -7.180 -14.699 1.00 0.00 C ATOM 285 C CYS A 22 3.889 -6.713 -16.071 1.00 0.00 C ATOM 286 O CYS A 22 4.953 -7.106 -16.550 1.00 0.00 O ATOM 287 CB CYS A 22 4.431 -6.787 -13.629 1.00 0.00 C ATOM 288 SG CYS A 22 4.609 -4.989 -13.396 1.00 0.00 S ATOM 0 H CYS A 22 3.457 -9.079 -13.813 1.00 0.00 H new ATOM 0 HA CYS A 22 2.459 -6.693 -14.481 1.00 0.00 H new ATOM 0 HB2 CYS A 22 4.139 -7.238 -12.681 1.00 0.00 H new ATOM 0 HB3 CYS A 22 5.401 -7.206 -13.896 1.00 0.00 H new ATOM 293 N PRO A 23 3.087 -5.855 -16.717 1.00 0.00 N ATOM 294 CA PRO A 23 3.408 -5.316 -18.042 1.00 0.00 C ATOM 295 C PRO A 23 4.580 -4.342 -18.003 1.00 0.00 C ATOM 296 O PRO A 23 4.916 -3.719 -19.011 1.00 0.00 O ATOM 297 CB PRO A 23 2.124 -4.591 -18.451 1.00 0.00 C ATOM 298 CG PRO A 23 1.462 -4.238 -17.164 1.00 0.00 C ATOM 299 CD PRO A 23 1.804 -5.345 -16.205 1.00 0.00 C ATOM 0 HA PRO A 23 3.712 -6.098 -18.737 1.00 0.00 H new ATOM 0 HB2 PRO A 23 2.343 -3.701 -19.041 1.00 0.00 H new ATOM 0 HB3 PRO A 23 1.486 -5.230 -19.062 1.00 0.00 H new ATOM 0 HG2 PRO A 23 1.818 -3.277 -16.793 1.00 0.00 H new ATOM 0 HG3 PRO A 23 0.383 -4.151 -17.291 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.897 -4.977 -15.183 1.00 0.00 H new ATOM 0 HD3 PRO A 23 1.038 -6.120 -16.196 1.00 0.00 H new ATOM 307 N ILE A 24 5.200 -4.216 -16.834 1.00 0.00 N ATOM 308 CA ILE A 24 6.336 -3.318 -16.665 1.00 0.00 C ATOM 309 C ILE A 24 7.635 -4.101 -16.507 1.00 0.00 C ATOM 310 O ILE A 24 8.524 -4.026 -17.356 1.00 0.00 O ATOM 311 CB ILE A 24 6.151 -2.400 -15.442 1.00 0.00 C ATOM 312 CG1 ILE A 24 4.897 -1.539 -15.609 1.00 0.00 C ATOM 313 CG2 ILE A 24 7.379 -1.524 -15.247 1.00 0.00 C ATOM 314 CD1 ILE A 24 4.411 -0.923 -14.316 1.00 0.00 C ATOM 0 H ILE A 24 4.935 -4.724 -15.990 1.00 0.00 H new ATOM 0 HA ILE A 24 6.391 -2.704 -17.564 1.00 0.00 H new ATOM 0 HB ILE A 24 6.027 -3.021 -14.555 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.105 -0.744 -16.325 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.100 -2.150 -16.033 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.233 -0.881 -14.379 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.254 -2.154 -15.089 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.531 -0.908 -16.133 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.520 -0.326 -14.510 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.171 -1.713 -13.604 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.191 -0.285 -13.901 1.00 0.00 H new ATOM 326 N CYS A 25 7.738 -4.852 -15.416 1.00 0.00 N ATOM 327 CA CYS A 25 8.928 -5.650 -15.147 1.00 0.00 C ATOM 328 C CYS A 25 8.800 -7.042 -15.760 1.00 0.00 C ATOM 329 O CYS A 25 9.799 -7.720 -16.002 1.00 0.00 O ATOM 330 CB CYS A 25 9.160 -5.765 -13.639 1.00 0.00 C ATOM 331 SG CYS A 25 7.775 -6.522 -12.729 1.00 0.00 S ATOM 0 H CYS A 25 7.012 -4.925 -14.704 1.00 0.00 H new ATOM 0 HA CYS A 25 9.782 -5.148 -15.603 1.00 0.00 H new ATOM 0 HB2 CYS A 25 10.060 -6.354 -13.465 1.00 0.00 H new ATOM 0 HB3 CYS A 25 9.346 -4.770 -13.234 1.00 0.00 H new ATOM 336 N LEU A 26 7.564 -7.461 -16.008 1.00 0.00 N ATOM 337 CA LEU A 26 7.304 -8.772 -16.594 1.00 0.00 C ATOM 338 C LEU A 26 7.735 -9.887 -15.646 1.00 0.00 C ATOM 339 O LEU A 26 8.346 -10.869 -16.066 1.00 0.00 O ATOM 340 CB LEU A 26 8.037 -8.910 -17.929 1.00 0.00 C ATOM 341 CG LEU A 26 7.774 -7.809 -18.957 1.00 0.00 C ATOM 342 CD1 LEU A 26 8.754 -7.914 -20.115 1.00 0.00 C ATOM 343 CD2 LEU A 26 6.340 -7.883 -19.461 1.00 0.00 C ATOM 0 H LEU A 26 6.726 -6.913 -15.813 1.00 0.00 H new ATOM 0 HA LEU A 26 6.231 -8.860 -16.765 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.108 -8.945 -17.730 1.00 0.00 H new ATOM 0 HB3 LEU A 26 7.764 -9.867 -18.373 1.00 0.00 H new ATOM 0 HG LEU A 26 7.919 -6.843 -18.472 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.551 -7.122 -20.836 1.00 0.00 H new ATOM 0 HD12 LEU A 26 9.772 -7.811 -19.740 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.642 -8.884 -20.600 1.00 0.00 H new ATOM 0 HD21 LEU A 26 6.170 -7.092 -20.192 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.168 -8.852 -19.929 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.653 -7.757 -18.624 1.00 0.00 H new ATOM 355 N GLU A 27 7.412 -9.727 -14.367 1.00 0.00 N ATOM 356 CA GLU A 27 7.765 -10.721 -13.360 1.00 0.00 C ATOM 357 C GLU A 27 6.630 -10.907 -12.357 1.00 0.00 C ATOM 358 O GLU A 27 5.702 -10.099 -12.295 1.00 0.00 O ATOM 359 CB GLU A 27 9.043 -10.308 -12.629 1.00 0.00 C ATOM 360 CG GLU A 27 10.307 -10.516 -13.447 1.00 0.00 C ATOM 361 CD GLU A 27 11.551 -10.020 -12.736 1.00 0.00 C ATOM 362 OE1 GLU A 27 11.494 -8.930 -12.131 1.00 0.00 O ATOM 363 OE2 GLU A 27 12.581 -10.724 -12.784 1.00 0.00 O ATOM 0 H GLU A 27 6.907 -8.919 -14.003 1.00 0.00 H new ATOM 0 HA GLU A 27 7.937 -11.670 -13.869 1.00 0.00 H new ATOM 0 HB2 GLU A 27 8.969 -9.257 -12.351 1.00 0.00 H new ATOM 0 HB3 GLU A 27 9.122 -10.877 -11.703 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.420 -11.577 -13.671 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.207 -9.998 -14.401 1.00 0.00 H new ATOM 370 N LEU A 28 6.709 -11.977 -11.574 1.00 0.00 N ATOM 371 CA LEU A 28 5.689 -12.271 -10.574 1.00 0.00 C ATOM 372 C LEU A 28 5.262 -11.002 -9.843 1.00 0.00 C ATOM 373 O LEU A 28 6.070 -10.357 -9.173 1.00 0.00 O ATOM 374 CB LEU A 28 6.213 -13.300 -9.570 1.00 0.00 C ATOM 375 CG LEU A 28 5.960 -14.767 -9.919 1.00 0.00 C ATOM 376 CD1 LEU A 28 6.638 -15.680 -8.909 1.00 0.00 C ATOM 377 CD2 LEU A 28 4.467 -15.052 -9.981 1.00 0.00 C ATOM 0 H LEU A 28 7.469 -12.656 -11.612 1.00 0.00 H new ATOM 0 HA LEU A 28 4.820 -12.683 -11.087 1.00 0.00 H new ATOM 0 HB2 LEU A 28 7.287 -13.154 -9.458 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.760 -13.095 -8.600 1.00 0.00 H new ATOM 0 HG LEU A 28 6.387 -14.965 -10.902 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.447 -16.720 -9.173 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.712 -15.495 -8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.241 -15.480 -7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.307 -16.101 -10.231 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.015 -14.836 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.008 -14.423 -10.744 1.00 0.00 H new ATOM 389 N LEU A 29 3.988 -10.650 -9.975 1.00 0.00 N ATOM 390 CA LEU A 29 3.452 -9.459 -9.325 1.00 0.00 C ATOM 391 C LEU A 29 3.572 -9.566 -7.808 1.00 0.00 C ATOM 392 O LEU A 29 2.918 -10.399 -7.179 1.00 0.00 O ATOM 393 CB LEU A 29 1.988 -9.254 -9.719 1.00 0.00 C ATOM 394 CG LEU A 29 1.731 -8.905 -11.185 1.00 0.00 C ATOM 395 CD1 LEU A 29 0.375 -9.432 -11.629 1.00 0.00 C ATOM 396 CD2 LEU A 29 1.815 -7.400 -11.397 1.00 0.00 C ATOM 0 H LEU A 29 3.307 -11.172 -10.526 1.00 0.00 H new ATOM 0 HA LEU A 29 4.035 -8.600 -9.658 1.00 0.00 H new ATOM 0 HB2 LEU A 29 1.437 -10.164 -9.481 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.573 -8.459 -9.099 1.00 0.00 H new ATOM 0 HG LEU A 29 2.500 -9.382 -11.793 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.209 -9.174 -12.675 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.350 -10.516 -11.514 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -0.408 -8.984 -11.017 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.630 -7.169 -12.446 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.067 -6.903 -10.779 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.808 -7.048 -11.118 1.00 0.00 H new ATOM 408 N LYS A 30 4.410 -8.716 -7.225 1.00 0.00 N ATOM 409 CA LYS A 30 4.614 -8.711 -5.781 1.00 0.00 C ATOM 410 C LYS A 30 3.659 -7.736 -5.100 1.00 0.00 C ATOM 411 O LYS A 30 3.724 -6.529 -5.327 1.00 0.00 O ATOM 412 CB LYS A 30 6.061 -8.338 -5.451 1.00 0.00 C ATOM 413 CG LYS A 30 7.086 -9.276 -6.064 1.00 0.00 C ATOM 414 CD LYS A 30 7.518 -10.350 -5.079 1.00 0.00 C ATOM 415 CE LYS A 30 6.573 -11.542 -5.105 1.00 0.00 C ATOM 416 NZ LYS A 30 5.476 -11.401 -4.107 1.00 0.00 N ATOM 0 H LYS A 30 4.959 -8.021 -7.731 1.00 0.00 H new ATOM 0 HA LYS A 30 4.409 -9.714 -5.407 1.00 0.00 H new ATOM 0 HB2 LYS A 30 6.255 -7.324 -5.800 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.188 -8.332 -4.368 1.00 0.00 H new ATOM 0 HG2 LYS A 30 6.665 -9.745 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.957 -8.705 -6.386 1.00 0.00 H new ATOM 0 HD2 LYS A 30 8.529 -10.680 -5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 30 7.550 -9.931 -4.073 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.146 -11.645 -6.102 1.00 0.00 H new ATOM 0 HE3 LYS A 30 7.134 -12.455 -4.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.633 -12.066 -3.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.464 -10.428 -3.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.564 -11.610 -4.561 1.00 0.00 H new ATOM 430 N GLU A 31 2.773 -8.269 -4.263 1.00 0.00 N ATOM 431 CA GLU A 31 1.806 -7.445 -3.549 1.00 0.00 C ATOM 432 C GLU A 31 1.196 -6.396 -4.475 1.00 0.00 C ATOM 433 O GLU A 31 1.186 -5.201 -4.179 1.00 0.00 O ATOM 434 CB GLU A 31 2.470 -6.761 -2.352 1.00 0.00 C ATOM 435 CG GLU A 31 1.522 -6.509 -1.192 1.00 0.00 C ATOM 436 CD GLU A 31 1.216 -7.769 -0.405 1.00 0.00 C ATOM 437 OE1 GLU A 31 2.157 -8.544 -0.135 1.00 0.00 O ATOM 438 OE2 GLU A 31 0.034 -7.979 -0.058 1.00 0.00 O ATOM 0 H GLU A 31 2.706 -9.267 -4.064 1.00 0.00 H new ATOM 0 HA GLU A 31 1.008 -8.095 -3.190 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.299 -7.378 -2.005 1.00 0.00 H new ATOM 0 HB3 GLU A 31 2.894 -5.811 -2.677 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.959 -5.766 -0.525 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.592 -6.088 -1.573 1.00 0.00 H new ATOM 445 N PRO A 32 0.676 -6.852 -5.624 1.00 0.00 N ATOM 446 CA PRO A 32 0.055 -5.971 -6.617 1.00 0.00 C ATOM 447 C PRO A 32 -1.270 -5.394 -6.132 1.00 0.00 C ATOM 448 O PRO A 32 -1.923 -5.963 -5.256 1.00 0.00 O ATOM 449 CB PRO A 32 -0.170 -6.892 -7.818 1.00 0.00 C ATOM 450 CG PRO A 32 -0.263 -8.260 -7.234 1.00 0.00 C ATOM 451 CD PRO A 32 0.653 -8.264 -6.042 1.00 0.00 C ATOM 0 HA PRO A 32 0.678 -5.104 -6.839 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.081 -6.628 -8.354 1.00 0.00 H new ATOM 0 HB3 PRO A 32 0.651 -6.821 -8.531 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -1.287 -8.490 -6.940 1.00 0.00 H new ATOM 0 HG3 PRO A 32 0.038 -9.016 -7.960 1.00 0.00 H new ATOM 0 HD2 PRO A 32 0.278 -8.912 -5.249 1.00 0.00 H new ATOM 0 HD3 PRO A 32 1.649 -8.622 -6.302 1.00 0.00 H new ATOM 459 N VAL A 33 -1.664 -4.262 -6.707 1.00 0.00 N ATOM 460 CA VAL A 33 -2.913 -3.609 -6.334 1.00 0.00 C ATOM 461 C VAL A 33 -3.748 -3.276 -7.565 1.00 0.00 C ATOM 462 O VAL A 33 -3.302 -2.548 -8.452 1.00 0.00 O ATOM 463 CB VAL A 33 -2.655 -2.316 -5.537 1.00 0.00 C ATOM 464 CG1 VAL A 33 -1.911 -2.623 -4.246 1.00 0.00 C ATOM 465 CG2 VAL A 33 -1.881 -1.316 -6.383 1.00 0.00 C ATOM 0 H VAL A 33 -1.136 -3.778 -7.433 1.00 0.00 H new ATOM 0 HA VAL A 33 -3.461 -4.311 -5.705 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.616 -1.872 -5.277 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.738 -1.697 -3.697 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.507 -3.301 -3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.954 -3.091 -4.480 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.707 -0.408 -5.805 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.924 -1.749 -6.674 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -2.456 -1.073 -7.276 1.00 0.00 H new ATOM 475 N SER A 34 -4.963 -3.813 -7.612 1.00 0.00 N ATOM 476 CA SER A 34 -5.860 -3.576 -8.737 1.00 0.00 C ATOM 477 C SER A 34 -6.344 -2.129 -8.750 1.00 0.00 C ATOM 478 O SER A 34 -6.304 -1.440 -7.731 1.00 0.00 O ATOM 479 CB SER A 34 -7.058 -4.525 -8.670 1.00 0.00 C ATOM 480 OG SER A 34 -7.613 -4.737 -9.956 1.00 0.00 O ATOM 0 H SER A 34 -5.349 -4.415 -6.884 1.00 0.00 H new ATOM 0 HA SER A 34 -5.307 -3.765 -9.657 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.747 -5.478 -8.243 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.817 -4.111 -8.007 1.00 0.00 H new ATOM 0 HG SER A 34 -8.376 -5.348 -9.886 1.00 0.00 H new ATOM 486 N ALA A 35 -6.801 -1.675 -9.912 1.00 0.00 N ATOM 487 CA ALA A 35 -7.294 -0.311 -10.059 1.00 0.00 C ATOM 488 C ALA A 35 -8.672 -0.293 -10.714 1.00 0.00 C ATOM 489 O ALA A 35 -9.265 -1.343 -10.963 1.00 0.00 O ATOM 490 CB ALA A 35 -6.312 0.521 -10.870 1.00 0.00 C ATOM 0 H ALA A 35 -6.840 -2.232 -10.766 1.00 0.00 H new ATOM 0 HA ALA A 35 -7.387 0.124 -9.064 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -6.693 1.537 -10.972 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.348 0.544 -10.362 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.190 0.079 -11.859 1.00 0.00 H new ATOM 496 N ASP A 36 -9.175 0.905 -10.989 1.00 0.00 N ATOM 497 CA ASP A 36 -10.483 1.059 -11.615 1.00 0.00 C ATOM 498 C ASP A 36 -10.566 0.252 -12.906 1.00 0.00 C ATOM 499 O ASP A 36 -11.622 -0.279 -13.252 1.00 0.00 O ATOM 500 CB ASP A 36 -10.764 2.535 -11.903 1.00 0.00 C ATOM 501 CG ASP A 36 -12.185 2.773 -12.374 1.00 0.00 C ATOM 502 OD1 ASP A 36 -12.517 2.343 -13.499 1.00 0.00 O ATOM 503 OD2 ASP A 36 -12.965 3.389 -11.618 1.00 0.00 O ATOM 0 H ASP A 36 -8.697 1.784 -10.788 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.236 0.682 -10.923 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.581 3.119 -11.001 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.068 2.893 -12.662 1.00 0.00 H new ATOM 508 N CYS A 37 -9.446 0.164 -13.616 1.00 0.00 N ATOM 509 CA CYS A 37 -9.392 -0.577 -14.871 1.00 0.00 C ATOM 510 C CYS A 37 -8.978 -2.026 -14.629 1.00 0.00 C ATOM 511 O CYS A 37 -8.213 -2.601 -15.402 1.00 0.00 O ATOM 512 CB CYS A 37 -8.413 0.090 -15.839 1.00 0.00 C ATOM 513 SG CYS A 37 -6.792 0.483 -15.105 1.00 0.00 S ATOM 0 H CYS A 37 -8.563 0.597 -13.344 1.00 0.00 H new ATOM 0 HA CYS A 37 -10.389 -0.571 -15.312 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -8.262 -0.566 -16.696 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -8.861 1.009 -16.216 1.00 0.00 H new ATOM 518 N ASN A 38 -9.489 -2.609 -13.549 1.00 0.00 N ATOM 519 CA ASN A 38 -9.172 -3.991 -13.205 1.00 0.00 C ATOM 520 C ASN A 38 -7.730 -4.326 -13.573 1.00 0.00 C ATOM 521 O ASN A 38 -7.434 -5.435 -14.020 1.00 0.00 O ATOM 522 CB ASN A 38 -10.128 -4.948 -13.919 1.00 0.00 C ATOM 523 CG ASN A 38 -11.417 -5.160 -13.148 1.00 0.00 C ATOM 524 OD1 ASN A 38 -11.674 -4.485 -12.151 1.00 0.00 O ATOM 525 ND2 ASN A 38 -12.234 -6.100 -13.607 1.00 0.00 N ATOM 0 H ASN A 38 -10.124 -2.147 -12.898 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.290 -4.107 -12.128 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.360 -4.554 -14.908 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.634 -5.908 -14.066 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -13.116 -6.287 -13.129 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.980 -6.635 -14.437 1.00 0.00 H new ATOM 532 N HIS A 39 -6.836 -3.361 -13.382 1.00 0.00 N ATOM 533 CA HIS A 39 -5.424 -3.554 -13.693 1.00 0.00 C ATOM 534 C HIS A 39 -4.569 -3.428 -12.435 1.00 0.00 C ATOM 535 O HIS A 39 -4.640 -2.427 -11.722 1.00 0.00 O ATOM 536 CB HIS A 39 -4.967 -2.537 -14.739 1.00 0.00 C ATOM 537 CG HIS A 39 -5.502 -2.807 -16.111 1.00 0.00 C ATOM 538 ND1 HIS A 39 -5.530 -1.855 -17.109 1.00 0.00 N ATOM 539 CD2 HIS A 39 -6.030 -3.931 -16.650 1.00 0.00 C ATOM 540 CE1 HIS A 39 -6.054 -2.381 -18.201 1.00 0.00 C ATOM 541 NE2 HIS A 39 -6.366 -3.640 -17.950 1.00 0.00 N ATOM 0 H HIS A 39 -7.064 -2.438 -13.013 1.00 0.00 H new ATOM 0 HA HIS A 39 -5.300 -4.559 -14.096 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.279 -1.541 -14.426 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -3.878 -2.532 -14.777 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.162 -4.880 -16.151 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.202 -1.869 -19.140 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -6.788 -4.290 -18.613 1.00 0.00 H new ATOM 549 N SER A 40 -3.762 -4.451 -12.169 1.00 0.00 N ATOM 550 CA SER A 40 -2.897 -4.457 -10.996 1.00 0.00 C ATOM 551 C SER A 40 -1.427 -4.480 -11.404 1.00 0.00 C ATOM 552 O SER A 40 -1.076 -4.982 -12.472 1.00 0.00 O ATOM 553 CB SER A 40 -3.211 -5.664 -10.110 1.00 0.00 C ATOM 554 OG SER A 40 -3.036 -6.877 -10.822 1.00 0.00 O ATOM 0 H SER A 40 -3.690 -5.286 -12.750 1.00 0.00 H new ATOM 0 HA SER A 40 -3.085 -3.543 -10.433 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.562 -5.655 -9.234 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.237 -5.596 -9.747 1.00 0.00 H new ATOM 0 HG SER A 40 -3.241 -7.634 -10.234 1.00 0.00 H new ATOM 560 N PHE A 41 -0.573 -3.933 -10.546 1.00 0.00 N ATOM 561 CA PHE A 41 0.860 -3.889 -10.817 1.00 0.00 C ATOM 562 C PHE A 41 1.661 -3.954 -9.520 1.00 0.00 C ATOM 563 O PHE A 41 1.185 -3.543 -8.462 1.00 0.00 O ATOM 564 CB PHE A 41 1.216 -2.615 -11.586 1.00 0.00 C ATOM 565 CG PHE A 41 0.161 -2.193 -12.568 1.00 0.00 C ATOM 566 CD1 PHE A 41 -1.003 -1.580 -12.134 1.00 0.00 C ATOM 567 CD2 PHE A 41 0.334 -2.409 -13.926 1.00 0.00 C ATOM 568 CE1 PHE A 41 -1.976 -1.190 -13.036 1.00 0.00 C ATOM 569 CE2 PHE A 41 -0.635 -2.021 -14.832 1.00 0.00 C ATOM 570 CZ PHE A 41 -1.792 -1.412 -14.386 1.00 0.00 C ATOM 0 H PHE A 41 -0.847 -3.514 -9.657 1.00 0.00 H new ATOM 0 HA PHE A 41 1.116 -4.756 -11.426 1.00 0.00 H new ATOM 0 HB2 PHE A 41 1.384 -1.806 -10.875 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.154 -2.772 -12.118 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.152 -1.405 -11.079 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.236 -2.886 -14.280 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.879 -0.712 -12.685 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.488 -2.194 -15.888 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.551 -1.110 -15.092 1.00 0.00 H new ATOM 580 N CYS A 42 2.880 -4.475 -9.610 1.00 0.00 N ATOM 581 CA CYS A 42 3.748 -4.597 -8.446 1.00 0.00 C ATOM 582 C CYS A 42 3.657 -3.352 -7.567 1.00 0.00 C ATOM 583 O CYS A 42 3.851 -2.231 -8.039 1.00 0.00 O ATOM 584 CB CYS A 42 5.197 -4.820 -8.884 1.00 0.00 C ATOM 585 SG CYS A 42 5.407 -6.161 -10.099 1.00 0.00 S ATOM 0 H CYS A 42 3.289 -4.820 -10.478 1.00 0.00 H new ATOM 0 HA CYS A 42 3.415 -5.457 -7.865 1.00 0.00 H new ATOM 0 HB2 CYS A 42 5.583 -3.894 -9.310 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.801 -5.043 -8.005 1.00 0.00 H new ATOM 590 N ARG A 43 3.361 -3.558 -6.288 1.00 0.00 N ATOM 591 CA ARG A 43 3.244 -2.453 -5.344 1.00 0.00 C ATOM 592 C ARG A 43 4.254 -1.355 -5.663 1.00 0.00 C ATOM 593 O ARG A 43 3.937 -0.168 -5.598 1.00 0.00 O ATOM 594 CB ARG A 43 3.453 -2.953 -3.913 1.00 0.00 C ATOM 595 CG ARG A 43 3.353 -1.857 -2.865 1.00 0.00 C ATOM 596 CD ARG A 43 1.905 -1.554 -2.512 1.00 0.00 C ATOM 597 NE ARG A 43 1.729 -0.178 -2.054 1.00 0.00 N ATOM 598 CZ ARG A 43 2.100 0.249 -0.852 1.00 0.00 C ATOM 599 NH1 ARG A 43 2.664 -0.588 0.008 1.00 0.00 N ATOM 600 NH2 ARG A 43 1.907 1.516 -0.508 1.00 0.00 N ATOM 0 H ARG A 43 3.198 -4.479 -5.882 1.00 0.00 H new ATOM 0 HA ARG A 43 2.241 -2.036 -5.434 1.00 0.00 H new ATOM 0 HB2 ARG A 43 2.712 -3.722 -3.694 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.433 -3.424 -3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.892 -2.160 -1.967 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.835 -0.952 -3.236 1.00 0.00 H new ATOM 0 HD2 ARG A 43 1.275 -1.729 -3.384 1.00 0.00 H new ATOM 0 HD3 ARG A 43 1.570 -2.240 -1.734 1.00 0.00 H new ATOM 0 HE ARG A 43 1.298 0.491 -2.692 1.00 0.00 H new ATOM 0 HH11 ARG A 43 2.814 -1.563 -0.253 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.948 -0.257 0.930 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.473 2.163 -1.167 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.192 1.843 0.415 1.00 0.00 H new ATOM 614 N ALA A 44 5.472 -1.761 -6.008 1.00 0.00 N ATOM 615 CA ALA A 44 6.528 -0.812 -6.338 1.00 0.00 C ATOM 616 C ALA A 44 6.300 -0.195 -7.714 1.00 0.00 C ATOM 617 O ALA A 44 6.182 1.024 -7.848 1.00 0.00 O ATOM 618 CB ALA A 44 7.887 -1.494 -6.282 1.00 0.00 C ATOM 0 H ALA A 44 5.751 -2.740 -6.066 1.00 0.00 H new ATOM 0 HA ALA A 44 6.506 -0.010 -5.600 1.00 0.00 H new ATOM 0 HB1 ALA A 44 8.666 -0.773 -6.531 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.058 -1.882 -5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.911 -2.316 -6.997 1.00 0.00 H new ATOM 624 N CYS A 45 6.241 -1.043 -8.735 1.00 0.00 N ATOM 625 CA CYS A 45 6.029 -0.581 -10.102 1.00 0.00 C ATOM 626 C CYS A 45 4.985 0.531 -10.145 1.00 0.00 C ATOM 627 O CYS A 45 5.309 1.690 -10.402 1.00 0.00 O ATOM 628 CB CYS A 45 5.588 -1.745 -10.993 1.00 0.00 C ATOM 629 SG CYS A 45 6.945 -2.849 -11.499 1.00 0.00 S ATOM 0 H CYS A 45 6.337 -2.054 -8.642 1.00 0.00 H new ATOM 0 HA CYS A 45 6.973 -0.183 -10.475 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.836 -2.330 -10.463 1.00 0.00 H new ATOM 0 HB3 CYS A 45 5.108 -1.344 -11.886 1.00 0.00 H new ATOM 634 N ILE A 46 3.732 0.168 -9.890 1.00 0.00 N ATOM 635 CA ILE A 46 2.641 1.135 -9.898 1.00 0.00 C ATOM 636 C ILE A 46 3.080 2.465 -9.294 1.00 0.00 C ATOM 637 O ILE A 46 2.677 3.533 -9.755 1.00 0.00 O ATOM 638 CB ILE A 46 1.419 0.611 -9.122 1.00 0.00 C ATOM 639 CG1 ILE A 46 0.266 1.613 -9.206 1.00 0.00 C ATOM 640 CG2 ILE A 46 1.788 0.340 -7.672 1.00 0.00 C ATOM 641 CD1 ILE A 46 -1.101 0.969 -9.144 1.00 0.00 C ATOM 0 H ILE A 46 3.448 -0.788 -9.676 1.00 0.00 H new ATOM 0 HA ILE A 46 2.362 1.287 -10.941 1.00 0.00 H new ATOM 0 HB ILE A 46 1.095 -0.326 -9.575 1.00 0.00 H new ATOM 0 HG12 ILE A 46 0.358 2.330 -8.390 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.352 2.176 -10.136 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.913 -0.030 -7.137 1.00 0.00 H new ATOM 0 HG22 ILE A 46 2.581 -0.407 -7.632 1.00 0.00 H new ATOM 0 HG23 ILE A 46 2.135 1.262 -7.206 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.869 1.739 -9.209 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -1.213 0.273 -9.975 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.207 0.430 -8.203 1.00 0.00 H new ATOM 653 N THR A 47 3.912 2.392 -8.260 1.00 0.00 N ATOM 654 CA THR A 47 4.408 3.590 -7.592 1.00 0.00 C ATOM 655 C THR A 47 5.431 4.317 -8.456 1.00 0.00 C ATOM 656 O THR A 47 5.263 5.494 -8.779 1.00 0.00 O ATOM 657 CB THR A 47 5.048 3.251 -6.233 1.00 0.00 C ATOM 658 OG1 THR A 47 4.131 2.494 -5.434 1.00 0.00 O ATOM 659 CG2 THR A 47 5.448 4.518 -5.492 1.00 0.00 C ATOM 0 H THR A 47 4.257 1.516 -7.867 1.00 0.00 H new ATOM 0 HA THR A 47 3.548 4.240 -7.428 1.00 0.00 H new ATOM 0 HB THR A 47 5.944 2.658 -6.416 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.284 1.537 -5.578 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.898 4.253 -4.535 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.168 5.077 -6.089 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.565 5.133 -5.320 1.00 0.00 H new ATOM 667 N LEU A 48 6.492 3.610 -8.830 1.00 0.00 N ATOM 668 CA LEU A 48 7.544 4.189 -9.658 1.00 0.00 C ATOM 669 C LEU A 48 6.970 4.750 -10.954 1.00 0.00 C ATOM 670 O LEU A 48 7.192 5.912 -11.291 1.00 0.00 O ATOM 671 CB LEU A 48 8.609 3.137 -9.973 1.00 0.00 C ATOM 672 CG LEU A 48 9.930 3.666 -10.533 1.00 0.00 C ATOM 673 CD1 LEU A 48 11.060 2.688 -10.249 1.00 0.00 C ATOM 674 CD2 LEU A 48 9.810 3.925 -12.028 1.00 0.00 C ATOM 0 H LEU A 48 6.646 2.635 -8.573 1.00 0.00 H new ATOM 0 HA LEU A 48 8.002 5.006 -9.101 1.00 0.00 H new ATOM 0 HB2 LEU A 48 8.821 2.580 -9.061 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.191 2.429 -10.689 1.00 0.00 H new ATOM 0 HG LEU A 48 10.160 4.610 -10.038 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.992 3.081 -10.655 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.162 2.552 -9.172 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.837 1.729 -10.716 1.00 0.00 H new ATOM 0 HD21 LEU A 48 10.759 4.301 -12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 48 9.556 2.996 -12.539 1.00 0.00 H new ATOM 0 HD23 LEU A 48 9.029 4.663 -12.208 1.00 0.00 H new ATOM 686 N ASN A 49 6.227 3.918 -11.676 1.00 0.00 N ATOM 687 CA ASN A 49 5.618 4.332 -12.935 1.00 0.00 C ATOM 688 C ASN A 49 4.932 5.687 -12.788 1.00 0.00 C ATOM 689 O ASN A 49 5.146 6.594 -13.593 1.00 0.00 O ATOM 690 CB ASN A 49 4.607 3.285 -13.406 1.00 0.00 C ATOM 691 CG ASN A 49 4.201 3.482 -14.853 1.00 0.00 C ATOM 692 OD1 ASN A 49 3.466 4.414 -15.182 1.00 0.00 O ATOM 693 ND2 ASN A 49 4.679 2.604 -15.727 1.00 0.00 N ATOM 0 H ASN A 49 6.032 2.953 -11.411 1.00 0.00 H new ATOM 0 HA ASN A 49 6.409 4.424 -13.679 1.00 0.00 H new ATOM 0 HB2 ASN A 49 5.035 2.290 -13.284 1.00 0.00 H new ATOM 0 HB3 ASN A 49 3.720 3.330 -12.774 1.00 0.00 H new ATOM 0 HD21 ASN A 49 4.440 2.686 -16.715 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.285 1.847 -15.410 1.00 0.00 H new ATOM 700 N TYR A 50 4.108 5.817 -11.754 1.00 0.00 N ATOM 701 CA TYR A 50 3.389 7.060 -11.502 1.00 0.00 C ATOM 702 C TYR A 50 4.359 8.222 -11.316 1.00 0.00 C ATOM 703 O TYR A 50 4.271 9.235 -12.009 1.00 0.00 O ATOM 704 CB TYR A 50 2.502 6.918 -10.264 1.00 0.00 C ATOM 705 CG TYR A 50 1.893 8.223 -9.803 1.00 0.00 C ATOM 706 CD1 TYR A 50 2.631 9.130 -9.053 1.00 0.00 C ATOM 707 CD2 TYR A 50 0.579 8.549 -10.116 1.00 0.00 C ATOM 708 CE1 TYR A 50 2.079 10.324 -8.629 1.00 0.00 C ATOM 709 CE2 TYR A 50 0.019 9.740 -9.698 1.00 0.00 C ATOM 710 CZ TYR A 50 0.773 10.624 -8.954 1.00 0.00 C ATOM 711 OH TYR A 50 0.218 11.811 -8.534 1.00 0.00 O ATOM 0 H TYR A 50 3.922 5.077 -11.077 1.00 0.00 H new ATOM 0 HA TYR A 50 2.762 7.270 -12.368 1.00 0.00 H new ATOM 0 HB2 TYR A 50 1.702 6.210 -10.480 1.00 0.00 H new ATOM 0 HB3 TYR A 50 3.092 6.495 -9.451 1.00 0.00 H new ATOM 0 HD1 TYR A 50 3.654 8.898 -8.797 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -0.015 7.859 -10.697 1.00 0.00 H new ATOM 0 HE1 TYR A 50 2.667 11.018 -8.047 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -1.003 9.978 -9.952 1.00 0.00 H new ATOM 0 HH TYR A 50 -0.709 11.868 -8.848 1.00 0.00 H new ATOM 721 N GLU A 51 5.285 8.067 -10.375 1.00 0.00 N ATOM 722 CA GLU A 51 6.272 9.103 -10.097 1.00 0.00 C ATOM 723 C GLU A 51 6.621 9.877 -11.365 1.00 0.00 C ATOM 724 O GLU A 51 6.759 11.100 -11.341 1.00 0.00 O ATOM 725 CB GLU A 51 7.538 8.486 -9.498 1.00 0.00 C ATOM 726 CG GLU A 51 7.365 8.010 -8.066 1.00 0.00 C ATOM 727 CD GLU A 51 8.679 7.619 -7.418 1.00 0.00 C ATOM 728 OE1 GLU A 51 9.298 6.637 -7.877 1.00 0.00 O ATOM 729 OE2 GLU A 51 9.087 8.296 -6.451 1.00 0.00 O ATOM 0 H GLU A 51 5.372 7.234 -9.793 1.00 0.00 H new ATOM 0 HA GLU A 51 5.839 9.797 -9.376 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.849 7.644 -10.117 1.00 0.00 H new ATOM 0 HB3 GLU A 51 8.342 9.221 -9.533 1.00 0.00 H new ATOM 0 HG2 GLU A 51 6.896 8.799 -7.479 1.00 0.00 H new ATOM 0 HG3 GLU A 51 6.688 7.156 -8.050 1.00 0.00 H new ATOM 736 N SER A 52 6.764 9.154 -12.471 1.00 0.00 N ATOM 737 CA SER A 52 7.101 9.770 -13.749 1.00 0.00 C ATOM 738 C SER A 52 5.852 9.974 -14.601 1.00 0.00 C ATOM 739 O SER A 52 5.792 10.883 -15.427 1.00 0.00 O ATOM 740 CB SER A 52 8.112 8.906 -14.505 1.00 0.00 C ATOM 741 OG SER A 52 8.757 9.650 -15.525 1.00 0.00 O ATOM 0 H SER A 52 6.652 8.141 -12.508 1.00 0.00 H new ATOM 0 HA SER A 52 7.545 10.745 -13.548 1.00 0.00 H new ATOM 0 HB2 SER A 52 8.855 8.517 -13.809 1.00 0.00 H new ATOM 0 HB3 SER A 52 7.605 8.046 -14.943 1.00 0.00 H new ATOM 0 HG SER A 52 9.399 9.076 -15.992 1.00 0.00 H new ATOM 747 N ASN A 53 4.856 9.118 -14.393 1.00 0.00 N ATOM 748 CA ASN A 53 3.607 9.203 -15.141 1.00 0.00 C ATOM 749 C ASN A 53 2.581 10.050 -14.395 1.00 0.00 C ATOM 750 O ASN A 53 1.377 9.919 -14.611 1.00 0.00 O ATOM 751 CB ASN A 53 3.043 7.803 -15.392 1.00 0.00 C ATOM 752 CG ASN A 53 3.655 7.143 -16.612 1.00 0.00 C ATOM 753 OD1 ASN A 53 2.953 6.795 -17.562 1.00 0.00 O ATOM 754 ND2 ASN A 53 4.971 6.967 -16.592 1.00 0.00 N ATOM 0 H ASN A 53 4.890 8.358 -13.713 1.00 0.00 H new ATOM 0 HA ASN A 53 3.818 9.680 -16.098 1.00 0.00 H new ATOM 0 HB2 ASN A 53 3.223 7.179 -14.516 1.00 0.00 H new ATOM 0 HB3 ASN A 53 1.963 7.867 -15.521 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.439 6.528 -17.385 1.00 0.00 H new ATOM 0 HD22 ASN A 53 5.514 7.271 -15.784 1.00 0.00 H new ATOM 761 N ARG A 54 3.068 10.920 -13.515 1.00 0.00 N ATOM 762 CA ARG A 54 2.194 11.788 -12.736 1.00 0.00 C ATOM 763 C ARG A 54 1.865 13.063 -13.508 1.00 0.00 C ATOM 764 O ARG A 54 2.689 13.568 -14.269 1.00 0.00 O ATOM 765 CB ARG A 54 2.851 12.143 -11.401 1.00 0.00 C ATOM 766 CG ARG A 54 3.807 13.322 -11.486 1.00 0.00 C ATOM 767 CD ARG A 54 4.058 13.936 -10.118 1.00 0.00 C ATOM 768 NE ARG A 54 3.095 14.988 -9.805 1.00 0.00 N ATOM 769 CZ ARG A 54 3.170 15.754 -8.722 1.00 0.00 C ATOM 770 NH1 ARG A 54 4.158 15.587 -7.854 1.00 0.00 N ATOM 771 NH2 ARG A 54 2.255 16.691 -8.506 1.00 0.00 N ATOM 0 H ARG A 54 4.063 11.042 -13.324 1.00 0.00 H new ATOM 0 HA ARG A 54 1.266 11.250 -12.545 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.073 12.369 -10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.393 11.273 -11.030 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.753 12.994 -11.918 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.396 14.078 -12.155 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.005 13.158 -9.356 1.00 0.00 H new ATOM 0 HD3 ARG A 54 5.067 14.347 -10.085 1.00 0.00 H new ATOM 0 HE ARG A 54 2.323 15.143 -10.453 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.864 14.869 -8.017 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.213 16.177 -7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.494 16.823 -9.172 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.313 17.279 -7.674 1.00 0.00 H new ATOM 785 N ASN A 55 0.656 13.576 -13.305 1.00 0.00 N ATOM 786 CA ASN A 55 0.218 14.791 -13.983 1.00 0.00 C ATOM 787 C ASN A 55 0.305 15.995 -13.051 1.00 0.00 C ATOM 788 O ASN A 55 0.521 15.849 -11.848 1.00 0.00 O ATOM 789 CB ASN A 55 -1.216 14.627 -14.491 1.00 0.00 C ATOM 790 CG ASN A 55 -1.350 13.494 -15.490 1.00 0.00 C ATOM 791 OD1 ASN A 55 -0.356 12.997 -16.019 1.00 0.00 O ATOM 792 ND2 ASN A 55 -2.584 13.079 -15.752 1.00 0.00 N ATOM 0 H ASN A 55 -0.038 13.170 -12.677 1.00 0.00 H new ATOM 0 HA ASN A 55 0.880 14.963 -14.832 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -1.879 14.443 -13.646 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -1.543 15.558 -14.955 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -2.737 12.319 -16.415 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -3.379 13.520 -15.290 1.00 0.00 H new ATOM 799 N THR A 56 0.135 17.187 -13.616 1.00 0.00 N ATOM 800 CA THR A 56 0.195 18.417 -12.837 1.00 0.00 C ATOM 801 C THR A 56 -0.957 18.495 -11.842 1.00 0.00 C ATOM 802 O THR A 56 -0.778 18.923 -10.702 1.00 0.00 O ATOM 803 CB THR A 56 0.158 19.660 -13.746 1.00 0.00 C ATOM 804 OG1 THR A 56 0.241 20.850 -12.953 1.00 0.00 O ATOM 805 CG2 THR A 56 -1.117 19.686 -14.576 1.00 0.00 C ATOM 0 H THR A 56 -0.045 17.326 -14.610 1.00 0.00 H new ATOM 0 HA THR A 56 1.140 18.401 -12.294 1.00 0.00 H new ATOM 0 HB THR A 56 1.012 19.614 -14.422 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.218 21.636 -13.539 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.120 20.573 -15.210 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.163 18.794 -15.200 1.00 0.00 H new ATOM 0 HG23 THR A 56 -1.982 19.710 -13.913 1.00 0.00 H new ATOM 813 N ASP A 57 -2.140 18.076 -12.280 1.00 0.00 N ATOM 814 CA ASP A 57 -3.322 18.097 -11.426 1.00 0.00 C ATOM 815 C ASP A 57 -3.145 17.167 -10.230 1.00 0.00 C ATOM 816 O ASP A 57 -3.357 17.564 -9.085 1.00 0.00 O ATOM 817 CB ASP A 57 -4.561 17.690 -12.225 1.00 0.00 C ATOM 818 CG ASP A 57 -4.923 18.706 -13.291 1.00 0.00 C ATOM 819 OD1 ASP A 57 -5.631 19.680 -12.964 1.00 0.00 O ATOM 820 OD2 ASP A 57 -4.497 18.526 -14.451 1.00 0.00 O ATOM 0 H ASP A 57 -2.305 17.718 -13.221 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.455 19.114 -11.056 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.385 16.722 -12.695 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.404 17.566 -11.545 1.00 0.00 H new ATOM 825 N GLY A 58 -2.756 15.925 -10.504 1.00 0.00 N ATOM 826 CA GLY A 58 -2.558 14.958 -9.441 1.00 0.00 C ATOM 827 C GLY A 58 -3.265 13.645 -9.712 1.00 0.00 C ATOM 828 O GLY A 58 -3.864 13.056 -8.812 1.00 0.00 O ATOM 0 H GLY A 58 -2.575 15.572 -11.444 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.491 14.773 -9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.921 15.376 -8.502 1.00 0.00 H new ATOM 832 N LYS A 59 -3.198 13.185 -10.957 1.00 0.00 N ATOM 833 CA LYS A 59 -3.837 11.934 -11.346 1.00 0.00 C ATOM 834 C LYS A 59 -2.796 10.890 -11.739 1.00 0.00 C ATOM 835 O LYS A 59 -1.603 11.183 -11.800 1.00 0.00 O ATOM 836 CB LYS A 59 -4.802 12.170 -12.511 1.00 0.00 C ATOM 837 CG LYS A 59 -6.037 12.965 -12.125 1.00 0.00 C ATOM 838 CD LYS A 59 -7.194 12.052 -11.755 1.00 0.00 C ATOM 839 CE LYS A 59 -7.250 11.803 -10.256 1.00 0.00 C ATOM 840 NZ LYS A 59 -7.891 12.933 -9.529 1.00 0.00 N ATOM 0 H LYS A 59 -2.707 13.661 -11.714 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.396 11.560 -10.489 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.275 12.696 -13.307 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.112 11.207 -12.916 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -5.803 13.617 -11.283 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -6.331 13.608 -12.954 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -8.132 12.499 -12.086 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -7.091 11.102 -12.279 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -7.804 10.885 -10.061 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -6.240 11.653 -9.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -7.910 12.724 -8.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -7.348 13.805 -9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -8.864 13.061 -9.874 1.00 0.00 H new ATOM 854 N GLY A 60 -3.257 9.672 -12.005 1.00 0.00 N ATOM 855 CA GLY A 60 -2.352 8.604 -12.389 1.00 0.00 C ATOM 856 C GLY A 60 -2.736 7.966 -13.709 1.00 0.00 C ATOM 857 O GLY A 60 -3.874 7.533 -13.889 1.00 0.00 O ATOM 0 H GLY A 60 -4.241 9.406 -11.962 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.339 8.999 -12.461 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -2.343 7.842 -11.610 1.00 0.00 H new ATOM 861 N ASN A 61 -1.785 7.909 -14.636 1.00 0.00 N ATOM 862 CA ASN A 61 -2.031 7.321 -15.948 1.00 0.00 C ATOM 863 C ASN A 61 -1.611 5.854 -15.974 1.00 0.00 C ATOM 864 O ASN A 61 -0.549 5.492 -15.467 1.00 0.00 O ATOM 865 CB ASN A 61 -1.276 8.098 -17.028 1.00 0.00 C ATOM 866 CG ASN A 61 -2.066 9.284 -17.547 1.00 0.00 C ATOM 867 OD1 ASN A 61 -1.671 10.435 -17.364 1.00 0.00 O ATOM 868 ND2 ASN A 61 -3.190 9.006 -18.198 1.00 0.00 N ATOM 0 H ASN A 61 -0.838 8.263 -14.503 1.00 0.00 H new ATOM 0 HA ASN A 61 -3.101 7.378 -16.149 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -0.326 8.447 -16.623 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -1.043 7.429 -17.857 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.764 9.762 -18.570 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.479 8.036 -18.326 1.00 0.00 H new ATOM 875 N CYS A 62 -2.452 5.014 -16.569 1.00 0.00 N ATOM 876 CA CYS A 62 -2.170 3.587 -16.662 1.00 0.00 C ATOM 877 C CYS A 62 -1.317 3.280 -17.890 1.00 0.00 C ATOM 878 O CYS A 62 -1.681 3.594 -19.024 1.00 0.00 O ATOM 879 CB CYS A 62 -3.475 2.791 -16.722 1.00 0.00 C ATOM 880 SG CYS A 62 -3.271 1.006 -16.420 1.00 0.00 S ATOM 0 H CYS A 62 -3.335 5.298 -16.994 1.00 0.00 H new ATOM 0 HA CYS A 62 -1.614 3.293 -15.772 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -4.170 3.196 -15.986 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -3.930 2.933 -17.702 1.00 0.00 H new ATOM 885 N PRO A 63 -0.154 2.652 -17.661 1.00 0.00 N ATOM 886 CA PRO A 63 0.774 2.288 -18.736 1.00 0.00 C ATOM 887 C PRO A 63 0.230 1.169 -19.617 1.00 0.00 C ATOM 888 O PRO A 63 0.953 0.604 -20.437 1.00 0.00 O ATOM 889 CB PRO A 63 2.021 1.817 -17.983 1.00 0.00 C ATOM 890 CG PRO A 63 1.514 1.361 -16.658 1.00 0.00 C ATOM 891 CD PRO A 63 0.343 2.248 -16.335 1.00 0.00 C ATOM 0 HA PRO A 63 0.958 3.120 -19.415 1.00 0.00 H new ATOM 0 HB2 PRO A 63 2.523 1.008 -18.515 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.746 2.624 -17.873 1.00 0.00 H new ATOM 0 HG2 PRO A 63 1.212 0.314 -16.695 1.00 0.00 H new ATOM 0 HG3 PRO A 63 2.288 1.443 -15.895 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.419 1.716 -15.765 1.00 0.00 H new ATOM 0 HD3 PRO A 63 0.644 3.110 -15.739 1.00 0.00 H new ATOM 899 N VAL A 64 -1.050 0.853 -19.443 1.00 0.00 N ATOM 900 CA VAL A 64 -1.691 -0.197 -20.224 1.00 0.00 C ATOM 901 C VAL A 64 -2.864 0.353 -21.028 1.00 0.00 C ATOM 902 O VAL A 64 -2.893 0.251 -22.254 1.00 0.00 O ATOM 903 CB VAL A 64 -2.193 -1.341 -19.322 1.00 0.00 C ATOM 904 CG1 VAL A 64 -2.891 -2.408 -20.151 1.00 0.00 C ATOM 905 CG2 VAL A 64 -1.040 -1.939 -18.530 1.00 0.00 C ATOM 0 H VAL A 64 -1.663 1.310 -18.768 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.937 -0.587 -20.908 1.00 0.00 H new ATOM 0 HB VAL A 64 -2.916 -0.933 -18.616 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.239 -3.208 -19.497 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.743 -1.967 -20.669 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.193 -2.815 -20.882 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.412 -2.745 -17.898 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.292 -2.333 -19.218 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.589 -1.168 -17.906 1.00 0.00 H new ATOM 915 N CYS A 65 -3.830 0.939 -20.328 1.00 0.00 N ATOM 916 CA CYS A 65 -5.007 1.506 -20.975 1.00 0.00 C ATOM 917 C CYS A 65 -4.960 3.031 -20.948 1.00 0.00 C ATOM 918 O CYS A 65 -5.776 3.699 -21.583 1.00 0.00 O ATOM 919 CB CYS A 65 -6.281 1.013 -20.286 1.00 0.00 C ATOM 920 SG CYS A 65 -6.381 1.432 -18.516 1.00 0.00 S ATOM 0 H CYS A 65 -3.821 1.033 -19.312 1.00 0.00 H new ATOM 0 HA CYS A 65 -5.013 1.177 -22.014 1.00 0.00 H new ATOM 0 HB2 CYS A 65 -7.145 1.437 -20.798 1.00 0.00 H new ATOM 0 HB3 CYS A 65 -6.345 -0.070 -20.396 1.00 0.00 H new ATOM 925 N ARG A 66 -3.998 3.575 -20.208 1.00 0.00 N ATOM 926 CA ARG A 66 -3.845 5.021 -20.098 1.00 0.00 C ATOM 927 C ARG A 66 -5.105 5.659 -19.521 1.00 0.00 C ATOM 928 O ARG A 66 -5.635 6.622 -20.075 1.00 0.00 O ATOM 929 CB ARG A 66 -3.533 5.628 -21.467 1.00 0.00 C ATOM 930 CG ARG A 66 -2.209 5.165 -22.052 1.00 0.00 C ATOM 931 CD ARG A 66 -1.031 5.827 -21.355 1.00 0.00 C ATOM 932 NE ARG A 66 0.159 5.859 -22.202 1.00 0.00 N ATOM 933 CZ ARG A 66 0.990 4.832 -22.341 1.00 0.00 C ATOM 934 NH1 ARG A 66 0.762 3.698 -21.692 1.00 0.00 N ATOM 935 NH2 ARG A 66 2.051 4.937 -23.130 1.00 0.00 N ATOM 0 H ARG A 66 -3.314 3.036 -19.677 1.00 0.00 H new ATOM 0 HA ARG A 66 -3.015 5.223 -19.421 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -4.335 5.373 -22.159 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -3.521 6.714 -21.379 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -2.127 4.082 -21.958 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -2.180 5.396 -23.117 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.302 6.844 -21.072 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -0.806 5.289 -20.434 1.00 0.00 H new ATOM 0 HE ARG A 66 0.363 6.717 -22.715 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -0.053 3.613 -21.085 1.00 0.00 H new ATOM 0 HH12 ARG A 66 1.402 2.911 -21.800 1.00 0.00 H new ATOM 0 HH21 ARG A 66 2.230 5.807 -23.631 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.688 4.148 -23.236 1.00 0.00 H new ATOM 949 N VAL A 67 -5.580 5.115 -18.405 1.00 0.00 N ATOM 950 CA VAL A 67 -6.778 5.631 -17.753 1.00 0.00 C ATOM 951 C VAL A 67 -6.424 6.406 -16.488 1.00 0.00 C ATOM 952 O VAL A 67 -5.727 5.912 -15.602 1.00 0.00 O ATOM 953 CB VAL A 67 -7.753 4.495 -17.389 1.00 0.00 C ATOM 954 CG1 VAL A 67 -7.128 3.563 -16.362 1.00 0.00 C ATOM 955 CG2 VAL A 67 -9.066 5.065 -16.876 1.00 0.00 C ATOM 0 H VAL A 67 -5.154 4.317 -17.934 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.262 6.301 -18.464 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.962 3.916 -18.289 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.831 2.767 -16.117 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -6.217 3.128 -16.772 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -6.888 4.125 -15.459 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -9.743 4.249 -16.624 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.878 5.669 -15.988 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -9.519 5.687 -17.648 1.00 0.00 H new ATOM 965 N PRO A 68 -6.916 7.650 -16.400 1.00 0.00 N ATOM 966 CA PRO A 68 -6.666 8.521 -15.248 1.00 0.00 C ATOM 967 C PRO A 68 -7.387 8.042 -13.993 1.00 0.00 C ATOM 968 O PRO A 68 -8.606 8.170 -13.878 1.00 0.00 O ATOM 969 CB PRO A 68 -7.220 9.875 -15.699 1.00 0.00 C ATOM 970 CG PRO A 68 -8.250 9.541 -16.722 1.00 0.00 C ATOM 971 CD PRO A 68 -7.755 8.304 -17.419 1.00 0.00 C ATOM 0 HA PRO A 68 -5.610 8.546 -14.978 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.655 10.423 -14.863 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -6.435 10.504 -16.118 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -9.220 9.365 -16.256 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.379 10.361 -17.428 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -8.579 7.663 -17.733 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -7.183 8.549 -18.314 1.00 0.00 H new ATOM 979 N TYR A 69 -6.627 7.490 -13.053 1.00 0.00 N ATOM 980 CA TYR A 69 -7.194 6.990 -11.807 1.00 0.00 C ATOM 981 C TYR A 69 -6.611 7.731 -10.607 1.00 0.00 C ATOM 982 O TYR A 69 -5.432 8.083 -10.575 1.00 0.00 O ATOM 983 CB TYR A 69 -6.934 5.489 -11.669 1.00 0.00 C ATOM 984 CG TYR A 69 -5.466 5.135 -11.587 1.00 0.00 C ATOM 985 CD1 TYR A 69 -4.790 5.167 -10.374 1.00 0.00 C ATOM 986 CD2 TYR A 69 -4.755 4.769 -12.723 1.00 0.00 C ATOM 987 CE1 TYR A 69 -3.449 4.844 -10.294 1.00 0.00 C ATOM 988 CE2 TYR A 69 -3.415 4.443 -12.653 1.00 0.00 C ATOM 989 CZ TYR A 69 -2.766 4.482 -11.436 1.00 0.00 C ATOM 990 OH TYR A 69 -1.430 4.160 -11.362 1.00 0.00 O ATOM 0 H TYR A 69 -5.616 7.378 -13.131 1.00 0.00 H new ATOM 0 HA TYR A 69 -8.270 7.165 -11.832 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -7.438 5.122 -10.775 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -7.377 4.972 -12.520 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -5.322 5.449 -9.478 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -5.259 4.739 -13.678 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.939 4.875 -9.343 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -2.878 4.159 -13.546 1.00 0.00 H new ATOM 0 HH TYR A 69 -1.100 3.927 -12.255 1.00 0.00 H new ATOM 1000 N PRO A 70 -7.457 7.974 -9.595 1.00 0.00 N ATOM 1001 CA PRO A 70 -7.050 8.674 -8.373 1.00 0.00 C ATOM 1002 C PRO A 70 -6.107 7.839 -7.514 1.00 0.00 C ATOM 1003 O PRO A 70 -6.511 6.836 -6.925 1.00 0.00 O ATOM 1004 CB PRO A 70 -8.373 8.910 -7.641 1.00 0.00 C ATOM 1005 CG PRO A 70 -9.277 7.835 -8.138 1.00 0.00 C ATOM 1006 CD PRO A 70 -8.877 7.584 -9.565 1.00 0.00 C ATOM 0 HA PRO A 70 -6.500 9.589 -8.592 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -8.244 8.851 -6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -8.776 9.899 -7.860 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -9.174 6.930 -7.539 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -10.321 8.142 -8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -9.013 6.539 -9.842 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -9.472 8.178 -10.259 1.00 0.00 H new ATOM 1014 N PHE A 71 -4.848 8.259 -7.445 1.00 0.00 N ATOM 1015 CA PHE A 71 -3.847 7.549 -6.658 1.00 0.00 C ATOM 1016 C PHE A 71 -4.309 7.383 -5.213 1.00 0.00 C ATOM 1017 O PHE A 71 -4.389 8.353 -4.460 1.00 0.00 O ATOM 1018 CB PHE A 71 -2.513 8.297 -6.695 1.00 0.00 C ATOM 1019 CG PHE A 71 -1.363 7.501 -6.148 1.00 0.00 C ATOM 1020 CD1 PHE A 71 -0.614 6.681 -6.976 1.00 0.00 C ATOM 1021 CD2 PHE A 71 -1.032 7.571 -4.804 1.00 0.00 C ATOM 1022 CE1 PHE A 71 0.445 5.947 -6.475 1.00 0.00 C ATOM 1023 CE2 PHE A 71 0.025 6.840 -4.298 1.00 0.00 C ATOM 1024 CZ PHE A 71 0.764 6.026 -5.134 1.00 0.00 C ATOM 0 H PHE A 71 -4.497 9.088 -7.925 1.00 0.00 H new ATOM 0 HA PHE A 71 -3.713 6.559 -7.095 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.292 8.579 -7.725 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -2.608 9.221 -6.125 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.860 6.614 -8.025 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -1.607 8.204 -4.145 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.022 5.313 -7.132 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.274 6.905 -3.249 1.00 0.00 H new ATOM 0 HZ PHE A 71 1.590 5.452 -4.740 1.00 0.00 H new ATOM 1034 N GLY A 72 -4.614 6.146 -4.833 1.00 0.00 N ATOM 1035 CA GLY A 72 -5.065 5.874 -3.481 1.00 0.00 C ATOM 1036 C GLY A 72 -6.197 4.867 -3.439 1.00 0.00 C ATOM 1037 O GLY A 72 -6.314 4.095 -2.488 1.00 0.00 O ATOM 0 H GLY A 72 -4.557 5.327 -5.438 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -4.228 5.500 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -5.393 6.804 -3.017 1.00 0.00 H new ATOM 1041 N ASN A 73 -7.033 4.876 -4.471 1.00 0.00 N ATOM 1042 CA ASN A 73 -8.163 3.957 -4.547 1.00 0.00 C ATOM 1043 C ASN A 73 -7.723 2.595 -5.074 1.00 0.00 C ATOM 1044 O ASN A 73 -8.373 2.014 -5.944 1.00 0.00 O ATOM 1045 CB ASN A 73 -9.258 4.535 -5.447 1.00 0.00 C ATOM 1046 CG ASN A 73 -10.625 3.957 -5.138 1.00 0.00 C ATOM 1047 OD1 ASN A 73 -10.829 3.341 -4.092 1.00 0.00 O ATOM 1048 ND2 ASN A 73 -11.571 4.154 -6.049 1.00 0.00 N ATOM 0 H ASN A 73 -6.950 5.509 -5.266 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.560 3.826 -3.540 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -9.289 5.618 -5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -9.010 4.337 -6.490 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -12.511 3.789 -5.895 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -11.358 4.671 -6.902 1.00 0.00 H new ATOM 1055 N LEU A 74 -6.616 2.090 -4.541 1.00 0.00 N ATOM 1056 CA LEU A 74 -6.087 0.796 -4.956 1.00 0.00 C ATOM 1057 C LEU A 74 -6.295 -0.252 -3.867 1.00 0.00 C ATOM 1058 O LEU A 74 -6.047 0.004 -2.689 1.00 0.00 O ATOM 1059 CB LEU A 74 -4.599 0.913 -5.290 1.00 0.00 C ATOM 1060 CG LEU A 74 -4.221 1.998 -6.299 1.00 0.00 C ATOM 1061 CD1 LEU A 74 -2.755 2.375 -6.153 1.00 0.00 C ATOM 1062 CD2 LEU A 74 -4.516 1.534 -7.718 1.00 0.00 C ATOM 0 H LEU A 74 -6.067 2.558 -3.820 1.00 0.00 H new ATOM 0 HA LEU A 74 -6.628 0.480 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.053 1.099 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -4.257 -0.048 -5.675 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.824 2.883 -6.095 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.504 3.148 -6.879 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -2.574 2.751 -5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -2.134 1.497 -6.329 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.241 2.319 -8.422 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.940 0.634 -7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -5.579 1.316 -7.816 1.00 0.00 H new ATOM 1074 N LYS A 75 -6.749 -1.434 -4.270 1.00 0.00 N ATOM 1075 CA LYS A 75 -6.987 -2.523 -3.330 1.00 0.00 C ATOM 1076 C LYS A 75 -5.850 -3.538 -3.374 1.00 0.00 C ATOM 1077 O LYS A 75 -5.310 -3.856 -4.434 1.00 0.00 O ATOM 1078 CB LYS A 75 -8.315 -3.215 -3.645 1.00 0.00 C ATOM 1079 CG LYS A 75 -9.533 -2.354 -3.358 1.00 0.00 C ATOM 1080 CD LYS A 75 -9.761 -2.191 -1.864 1.00 0.00 C ATOM 1081 CE LYS A 75 -11.201 -1.806 -1.559 1.00 0.00 C ATOM 1082 NZ LYS A 75 -12.121 -2.971 -1.668 1.00 0.00 N ATOM 0 H LYS A 75 -6.960 -1.662 -5.242 1.00 0.00 H new ATOM 0 HA LYS A 75 -7.034 -2.100 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.324 -3.504 -4.696 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.384 -4.133 -3.062 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.403 -1.374 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.414 -2.805 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -9.516 -3.123 -1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.088 -1.427 -1.473 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.260 -1.389 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.522 -1.024 -2.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.065 -2.702 -1.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.188 -3.269 -2.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.755 -3.758 -1.095 1.00 0.00 H new ATOM 1096 N PRO A 76 -5.476 -4.062 -2.197 1.00 0.00 N ATOM 1097 CA PRO A 76 -4.401 -5.051 -2.076 1.00 0.00 C ATOM 1098 C PRO A 76 -4.787 -6.403 -2.666 1.00 0.00 C ATOM 1099 O PRO A 76 -5.900 -6.884 -2.462 1.00 0.00 O ATOM 1100 CB PRO A 76 -4.195 -5.167 -0.563 1.00 0.00 C ATOM 1101 CG PRO A 76 -5.503 -4.769 0.029 1.00 0.00 C ATOM 1102 CD PRO A 76 -6.076 -3.730 -0.894 1.00 0.00 C ATOM 0 HA PRO A 76 -3.506 -4.749 -2.620 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -3.924 -6.183 -0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -3.391 -4.515 -0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -6.170 -5.627 0.113 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -5.371 -4.368 1.034 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -7.164 -3.780 -0.929 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.813 -2.721 -0.576 1.00 0.00 H new ATOM 1110 N ASN A 77 -3.859 -7.010 -3.399 1.00 0.00 N ATOM 1111 CA ASN A 77 -4.103 -8.307 -4.019 1.00 0.00 C ATOM 1112 C ASN A 77 -3.158 -9.365 -3.458 1.00 0.00 C ATOM 1113 O ASN A 77 -1.983 -9.419 -3.822 1.00 0.00 O ATOM 1114 CB ASN A 77 -3.934 -8.210 -5.537 1.00 0.00 C ATOM 1115 CG ASN A 77 -4.522 -9.405 -6.262 1.00 0.00 C ATOM 1116 OD1 ASN A 77 -5.170 -10.257 -5.653 1.00 0.00 O ATOM 1117 ND2 ASN A 77 -4.296 -9.474 -7.568 1.00 0.00 N ATOM 0 H ASN A 77 -2.932 -6.625 -3.578 1.00 0.00 H new ATOM 0 HA ASN A 77 -5.127 -8.603 -3.792 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -4.413 -7.299 -5.896 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -2.874 -8.128 -5.777 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.665 -10.256 -8.109 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.753 -8.745 -8.031 1.00 0.00 H new ATOM 1124 N LEU A 78 -3.679 -10.204 -2.570 1.00 0.00 N ATOM 1125 CA LEU A 78 -2.882 -11.262 -1.957 1.00 0.00 C ATOM 1126 C LEU A 78 -3.532 -12.625 -2.170 1.00 0.00 C ATOM 1127 O LEU A 78 -2.845 -13.632 -2.346 1.00 0.00 O ATOM 1128 CB LEU A 78 -2.707 -10.995 -0.462 1.00 0.00 C ATOM 1129 CG LEU A 78 -3.995 -10.866 0.352 1.00 0.00 C ATOM 1130 CD1 LEU A 78 -3.741 -11.209 1.812 1.00 0.00 C ATOM 1131 CD2 LEU A 78 -4.568 -9.462 0.225 1.00 0.00 C ATOM 0 H LEU A 78 -4.650 -10.173 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 78 -1.902 -11.269 -2.435 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.111 -11.802 -0.036 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -2.132 -10.077 -0.342 1.00 0.00 H new ATOM 0 HG LEU A 78 -4.724 -11.572 -0.045 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -4.669 -11.112 2.375 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -3.377 -12.234 1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.995 -10.528 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.484 -9.389 0.811 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -3.842 -8.738 0.595 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.789 -9.252 -0.822 1.00 0.00 H new ATOM 1143 N HIS A 79 -4.861 -12.650 -2.154 1.00 0.00 N ATOM 1144 CA HIS A 79 -5.605 -13.890 -2.347 1.00 0.00 C ATOM 1145 C HIS A 79 -6.530 -13.786 -3.556 1.00 0.00 C ATOM 1146 O HIS A 79 -7.659 -13.308 -3.447 1.00 0.00 O ATOM 1147 CB HIS A 79 -6.418 -14.223 -1.096 1.00 0.00 C ATOM 1148 CG HIS A 79 -6.616 -15.692 -0.883 1.00 0.00 C ATOM 1149 ND1 HIS A 79 -7.303 -16.607 -1.607 1.00 0.00 N flip ATOM 1150 CD2 HIS A 79 -6.074 -16.378 0.183 1.00 0.00 C flip ATOM 1151 CE1 HIS A 79 -7.164 -17.816 -0.972 1.00 0.00 C flip ATOM 1152 NE2 HIS A 79 -6.418 -17.652 0.105 1.00 0.00 N flip ATOM 0 H HIS A 79 -5.445 -11.826 -2.009 1.00 0.00 H new ATOM 0 HA HIS A 79 -4.887 -14.690 -2.528 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -5.917 -13.802 -0.224 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -7.393 -13.740 -1.167 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.464 -15.943 0.960 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -7.595 -18.750 -1.300 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -6.152 -18.384 0.764 1.00 0.00 H new ATOM 1160 N VAL A 80 -6.043 -14.235 -4.708 1.00 0.00 N ATOM 1161 CA VAL A 80 -6.826 -14.193 -5.938 1.00 0.00 C ATOM 1162 C VAL A 80 -7.682 -15.446 -6.088 1.00 0.00 C ATOM 1163 O VAL A 80 -7.809 -15.995 -7.181 1.00 0.00 O ATOM 1164 CB VAL A 80 -5.920 -14.053 -7.176 1.00 0.00 C ATOM 1165 CG1 VAL A 80 -5.137 -12.749 -7.119 1.00 0.00 C ATOM 1166 CG2 VAL A 80 -4.980 -15.244 -7.286 1.00 0.00 C ATOM 0 H VAL A 80 -5.110 -14.632 -4.816 1.00 0.00 H new ATOM 0 HA VAL A 80 -7.474 -13.319 -5.870 1.00 0.00 H new ATOM 0 HB VAL A 80 -6.550 -14.033 -8.066 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -4.502 -12.667 -8.001 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.831 -11.909 -7.092 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.516 -12.736 -6.223 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.348 -15.128 -8.166 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.355 -15.298 -6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.563 -16.161 -7.376 1.00 0.00 H new ATOM 1176 N ALA A 81 -8.267 -15.891 -4.981 1.00 0.00 N ATOM 1177 CA ALA A 81 -9.114 -17.078 -4.990 1.00 0.00 C ATOM 1178 C ALA A 81 -10.536 -16.740 -4.557 1.00 0.00 C ATOM 1179 O ALA A 81 -11.488 -16.938 -5.311 1.00 0.00 O ATOM 1180 CB ALA A 81 -8.526 -18.152 -4.086 1.00 0.00 C ATOM 0 H ALA A 81 -8.170 -15.448 -4.067 1.00 0.00 H new ATOM 0 HA ALA A 81 -9.154 -17.459 -6.010 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -9.168 -19.033 -4.102 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -7.531 -18.422 -4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.457 -17.772 -3.067 1.00 0.00 H new ATOM 1186 N ASN A 82 -10.674 -16.230 -3.338 1.00 0.00 N ATOM 1187 CA ASN A 82 -11.982 -15.866 -2.804 1.00 0.00 C ATOM 1188 C ASN A 82 -12.744 -14.985 -3.789 1.00 0.00 C ATOM 1189 O ASN A 82 -12.263 -14.703 -4.886 1.00 0.00 O ATOM 1190 CB ASN A 82 -11.826 -15.140 -1.467 1.00 0.00 C ATOM 1191 CG ASN A 82 -11.146 -13.792 -1.616 1.00 0.00 C ATOM 1192 OD1 ASN A 82 -10.160 -13.659 -2.342 1.00 0.00 O ATOM 1193 ND2 ASN A 82 -11.671 -12.785 -0.928 1.00 0.00 N ATOM 0 H ASN A 82 -9.896 -16.059 -2.701 1.00 0.00 H new ATOM 0 HA ASN A 82 -12.551 -16.782 -2.647 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -12.808 -15.000 -1.016 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -11.247 -15.762 -0.784 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -11.257 -11.855 -0.989 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -12.489 -12.941 -0.339 1.00 0.00 H new ATOM 1200 N ILE A 83 -13.935 -14.553 -3.387 1.00 0.00 N ATOM 1201 CA ILE A 83 -14.764 -13.703 -4.233 1.00 0.00 C ATOM 1202 C ILE A 83 -13.969 -12.514 -4.763 1.00 0.00 C ATOM 1203 O ILE A 83 -13.112 -11.967 -4.069 1.00 0.00 O ATOM 1204 CB ILE A 83 -15.997 -13.183 -3.472 1.00 0.00 C ATOM 1205 CG1 ILE A 83 -15.583 -12.127 -2.446 1.00 0.00 C ATOM 1206 CG2 ILE A 83 -16.724 -14.333 -2.793 1.00 0.00 C ATOM 1207 CD1 ILE A 83 -14.766 -12.684 -1.301 1.00 0.00 C ATOM 0 H ILE A 83 -14.347 -14.778 -2.481 1.00 0.00 H new ATOM 0 HA ILE A 83 -15.096 -14.318 -5.070 1.00 0.00 H new ATOM 0 HB ILE A 83 -16.678 -12.720 -4.187 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -15.007 -11.350 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -16.478 -11.651 -2.045 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -17.593 -13.949 -2.259 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -17.048 -15.053 -3.545 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -16.052 -14.822 -2.088 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -14.508 -11.879 -0.613 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -15.347 -13.440 -0.773 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -13.853 -13.135 -1.691 1.00 0.00 H new ATOM 1219 N VAL A 84 -14.261 -12.117 -5.998 1.00 0.00 N ATOM 1220 CA VAL A 84 -13.576 -10.991 -6.621 1.00 0.00 C ATOM 1221 C VAL A 84 -14.566 -10.060 -7.312 1.00 0.00 C ATOM 1222 O VAL A 84 -14.295 -9.543 -8.395 1.00 0.00 O ATOM 1223 CB VAL A 84 -12.533 -11.468 -7.650 1.00 0.00 C ATOM 1224 CG1 VAL A 84 -11.419 -12.242 -6.962 1.00 0.00 C ATOM 1225 CG2 VAL A 84 -13.196 -12.314 -8.726 1.00 0.00 C ATOM 0 H VAL A 84 -14.967 -12.559 -6.586 1.00 0.00 H new ATOM 0 HA VAL A 84 -13.067 -10.449 -5.824 1.00 0.00 H new ATOM 0 HB VAL A 84 -12.092 -10.593 -8.128 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -10.692 -12.571 -7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -10.927 -11.600 -6.232 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -11.839 -13.111 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -12.445 -12.643 -9.445 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -13.665 -13.185 -8.267 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -13.954 -11.722 -9.239 1.00 0.00 H new ATOM 1235 N GLU A 85 -15.715 -9.850 -6.677 1.00 0.00 N ATOM 1236 CA GLU A 85 -16.746 -8.981 -7.231 1.00 0.00 C ATOM 1237 C GLU A 85 -17.427 -8.174 -6.129 1.00 0.00 C ATOM 1238 O GLU A 85 -17.516 -8.652 -4.999 1.00 0.00 O ATOM 1239 CB GLU A 85 -17.786 -9.806 -7.991 1.00 0.00 C ATOM 1240 CG GLU A 85 -17.357 -10.175 -9.401 1.00 0.00 C ATOM 1241 CD GLU A 85 -17.227 -8.966 -10.307 1.00 0.00 C ATOM 1242 OE1 GLU A 85 -18.224 -8.229 -10.461 1.00 0.00 O ATOM 1243 OE2 GLU A 85 -16.128 -8.756 -10.861 1.00 0.00 O ATOM 0 H GLU A 85 -15.955 -10.270 -5.779 1.00 0.00 H new ATOM 0 HA GLU A 85 -16.267 -8.288 -7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -17.992 -10.719 -7.432 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -18.719 -9.244 -8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -16.402 -10.698 -9.361 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -18.082 -10.868 -9.828 1.00 0.00 H new TER 1250 GLU A 85 HETATM 1251 ZN ZN A 201 6.452 -4.950 -11.876 1.00 0.00 ZN HETATM 1252 ZN ZN A 401 -5.380 0.167 -17.006 1.00 0.00 ZN