USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 570 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 51 SER OG : rot -80:sc= -1.18! USER MOD Set 1.2: A 84 THR OG1 : rot -66:sc= 1.24 USER MOD Set 1.3: A 85 THR OG1 : rot -140:sc= 0 USER MOD Set 2.1: A 17 GLN : amide:sc= 0.782 K(o=0.26,f=-1.7) USER MOD Set 2.2: A 30 THR OG1 : rot -161:sc= -0.519! USER MOD Set 3.1: A 3 HIS : no HD1:sc= -0.464 X(o=-0.47,f=-0.34) USER MOD Set 3.2: A 13 SER OG : rot 180:sc=-0.00878 USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 8 SER OG : rot 51:sc= 1.02 USER MOD Single : A 12 TYR OH : rot -66:sc= 1.54 USER MOD Single : A 16 MET CE :methyl -154:sc= -0.0789 (180deg=-0.423) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc=-0.00979 F(o=-0.58,f=-0.0098) USER MOD Single : A 27 MET CE :methyl 180:sc= -0.0409 (180deg=-0.0409) USER MOD Single : A 34 ASN : amide:sc= -3.45! C(o=-3.4!,f=-7.9!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.196 X(o=-0.2,f=-0.044) USER MOD Single : A 45 GLN : amide:sc= -0.545 K(o=-0.54,f=-3.9!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= -0.08 K(o=-0.08,f=-0.64) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 30:sc= -0.897 USER MOD Single : A 63 ASN : amide:sc= -2.45! C(o=-2.5!,f=-2.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 165:sc= 0.794 USER MOD Single : A 69 SER OG : rot 44:sc= 0.377! USER MOD Single : A 71 THR OG1 : rot 167:sc= 0.611 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= -0.526 X(o=-0.53,f=-0.085) USER MOD Single : A 83 SER OG : rot -96:sc= 0.793 USER MOD Single : A 86 SER OG : rot 180:sc= 0.119 USER MOD Single : A 87 ASN :FLIP amide:sc= 0 F(o=-0.54,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN :FLIP amide:sc= -0.079 F(o=-0.96,f=-0.079) USER MOD Single : A 92 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 LYS NZ :NH3+ -145:sc= 1.05 (180deg=-0.833) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 100:sc= -0.609 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N HIS A 3 44.415 3.850 -41.293 1.00 0.00 N ATOM 32 CA HIS A 3 43.838 3.233 -40.105 1.00 0.00 C ATOM 33 C HIS A 3 44.523 3.746 -38.844 1.00 0.00 C ATOM 34 O HIS A 3 45.719 4.037 -38.850 1.00 0.00 O ATOM 35 CB HIS A 3 43.955 1.712 -40.186 1.00 0.00 C ATOM 36 CG HIS A 3 42.779 1.059 -40.844 1.00 0.00 C ATOM 37 ND1 HIS A 3 42.613 1.012 -42.213 1.00 0.00 N ATOM 38 CD2 HIS A 3 41.705 0.426 -40.315 1.00 0.00 C ATOM 39 CE1 HIS A 3 41.488 0.381 -42.497 1.00 0.00 C ATOM 40 NE2 HIS A 3 40.919 0.015 -41.364 1.00 0.00 N ATOM 0 HA HIS A 3 42.783 3.503 -40.059 1.00 0.00 H new ATOM 0 HB2 HIS A 3 44.860 1.453 -40.736 1.00 0.00 H new ATOM 0 HB3 HIS A 3 44.068 1.310 -39.179 1.00 0.00 H new ATOM 0 HD2 HIS A 3 41.504 0.273 -39.265 1.00 0.00 H new ATOM 0 HE1 HIS A 3 41.100 0.196 -43.488 1.00 0.00 H new ATOM 0 HE2 HIS A 3 40.038 -0.491 -41.281 1.00 0.00 H new ATOM 49 N CYS A 4 43.755 3.861 -37.768 1.00 0.00 N ATOM 50 CA CYS A 4 44.284 4.349 -36.500 1.00 0.00 C ATOM 51 C CYS A 4 44.254 3.262 -35.430 1.00 0.00 C ATOM 52 O CYS A 4 43.500 2.294 -35.532 1.00 0.00 O ATOM 53 CB CYS A 4 43.481 5.565 -36.036 1.00 0.00 C ATOM 54 SG CYS A 4 41.795 5.638 -36.730 1.00 0.00 S ATOM 0 H CYS A 4 42.763 3.623 -37.748 1.00 0.00 H new ATOM 0 HA CYS A 4 45.324 4.638 -36.655 1.00 0.00 H new ATOM 0 HB2 CYS A 4 43.416 5.553 -34.948 1.00 0.00 H new ATOM 0 HB3 CYS A 4 44.018 6.472 -36.314 1.00 0.00 H new ATOM 59 N VAL A 5 45.081 3.432 -34.402 1.00 0.00 N ATOM 60 CA VAL A 5 45.156 2.471 -33.305 1.00 0.00 C ATOM 61 C VAL A 5 45.515 3.169 -31.997 1.00 0.00 C ATOM 62 O VAL A 5 45.503 4.397 -31.915 1.00 0.00 O ATOM 63 CB VAL A 5 46.192 1.364 -33.585 1.00 0.00 C ATOM 64 CG1 VAL A 5 45.497 0.047 -33.891 1.00 0.00 C ATOM 65 CG2 VAL A 5 47.119 1.763 -34.723 1.00 0.00 C ATOM 0 H VAL A 5 45.710 4.229 -34.306 1.00 0.00 H new ATOM 0 HA VAL A 5 44.171 2.013 -33.218 1.00 0.00 H new ATOM 0 HB VAL A 5 46.798 1.231 -32.689 1.00 0.00 H new ATOM 0 HG11 VAL A 5 46.244 -0.722 -34.086 1.00 0.00 H new ATOM 0 HG12 VAL A 5 44.886 -0.249 -33.038 1.00 0.00 H new ATOM 0 HG13 VAL A 5 44.862 0.166 -34.769 1.00 0.00 H new ATOM 0 HG21 VAL A 5 47.841 0.966 -34.901 1.00 0.00 H new ATOM 0 HG22 VAL A 5 46.534 1.931 -35.627 1.00 0.00 H new ATOM 0 HG23 VAL A 5 47.648 2.678 -34.457 1.00 0.00 H new ATOM 75 N THR A 6 45.835 2.379 -30.976 1.00 0.00 N ATOM 76 CA THR A 6 46.197 2.929 -29.675 1.00 0.00 C ATOM 77 C THR A 6 47.043 1.944 -28.873 1.00 0.00 C ATOM 78 O THR A 6 48.041 2.322 -28.261 1.00 0.00 O ATOM 79 CB THR A 6 44.948 3.299 -28.852 1.00 0.00 C ATOM 80 OG1 THR A 6 44.679 2.283 -27.880 1.00 0.00 O ATOM 81 CG2 THR A 6 43.736 3.479 -29.754 1.00 0.00 C ATOM 0 H THR A 6 45.851 1.360 -31.025 1.00 0.00 H new ATOM 0 HA THR A 6 46.778 3.831 -29.868 1.00 0.00 H new ATOM 0 HB THR A 6 45.145 4.243 -28.344 1.00 0.00 H new ATOM 0 HG1 THR A 6 43.885 2.529 -27.361 1.00 0.00 H new ATOM 0 HG21 THR A 6 42.868 3.740 -29.149 1.00 0.00 H new ATOM 0 HG22 THR A 6 43.931 4.276 -30.471 1.00 0.00 H new ATOM 0 HG23 THR A 6 43.540 2.550 -30.289 1.00 0.00 H new ATOM 89 N ASP A 7 46.634 0.680 -28.880 1.00 0.00 N ATOM 90 CA ASP A 7 47.353 -0.360 -28.151 1.00 0.00 C ATOM 91 C ASP A 7 47.379 -1.661 -28.944 1.00 0.00 C ATOM 92 O ASP A 7 47.722 -2.717 -28.411 1.00 0.00 O ATOM 93 CB ASP A 7 46.694 -0.599 -26.794 1.00 0.00 C ATOM 94 CG ASP A 7 47.091 0.440 -25.763 1.00 0.00 C ATOM 95 OD1 ASP A 7 46.410 1.483 -25.678 1.00 0.00 O ATOM 96 OD2 ASP A 7 48.084 0.211 -25.042 1.00 0.00 O ATOM 0 H ASP A 7 45.809 0.350 -29.382 1.00 0.00 H new ATOM 0 HA ASP A 7 48.379 -0.023 -28.002 1.00 0.00 H new ATOM 0 HB2 ASP A 7 45.611 -0.591 -26.914 1.00 0.00 H new ATOM 0 HB3 ASP A 7 46.968 -1.590 -26.431 1.00 0.00 H new ATOM 101 N SER A 8 47.005 -1.579 -30.214 1.00 0.00 N ATOM 102 CA SER A 8 46.976 -2.749 -31.084 1.00 0.00 C ATOM 103 C SER A 8 45.742 -3.599 -30.795 1.00 0.00 C ATOM 104 O SER A 8 45.654 -4.751 -31.219 1.00 0.00 O ATOM 105 CB SER A 8 48.244 -3.587 -30.902 1.00 0.00 C ATOM 106 OG SER A 8 47.929 -4.923 -30.547 1.00 0.00 O ATOM 0 H SER A 8 46.716 -0.712 -30.667 1.00 0.00 H new ATOM 0 HA SER A 8 46.931 -2.404 -32.117 1.00 0.00 H new ATOM 0 HB2 SER A 8 48.823 -3.580 -31.825 1.00 0.00 H new ATOM 0 HB3 SER A 8 48.870 -3.141 -30.130 1.00 0.00 H new ATOM 0 HG SER A 8 47.274 -5.284 -31.180 1.00 0.00 H new ATOM 112 N GLY A 9 44.790 -3.018 -30.073 1.00 0.00 N ATOM 113 CA GLY A 9 43.572 -3.730 -29.739 1.00 0.00 C ATOM 114 C GLY A 9 42.364 -3.174 -30.465 1.00 0.00 C ATOM 115 O GLY A 9 41.467 -3.921 -30.855 1.00 0.00 O ATOM 0 H GLY A 9 44.841 -2.065 -29.713 1.00 0.00 H new ATOM 0 HA2 GLY A 9 43.690 -4.784 -29.989 1.00 0.00 H new ATOM 0 HA3 GLY A 9 43.404 -3.674 -28.663 1.00 0.00 H new ATOM 119 N VAL A 10 42.345 -1.860 -30.649 1.00 0.00 N ATOM 120 CA VAL A 10 41.242 -1.200 -31.337 1.00 0.00 C ATOM 121 C VAL A 10 41.726 -0.522 -32.614 1.00 0.00 C ATOM 122 O VAL A 10 42.010 0.676 -32.625 1.00 0.00 O ATOM 123 CB VAL A 10 40.561 -0.154 -30.437 1.00 0.00 C ATOM 124 CG1 VAL A 10 39.128 0.079 -30.886 1.00 0.00 C ATOM 125 CG2 VAL A 10 40.608 -0.591 -28.981 1.00 0.00 C ATOM 0 H VAL A 10 43.081 -1.230 -30.331 1.00 0.00 H new ATOM 0 HA VAL A 10 40.516 -1.973 -31.589 1.00 0.00 H new ATOM 0 HB VAL A 10 41.104 0.787 -30.526 1.00 0.00 H new ATOM 0 HG11 VAL A 10 38.660 0.821 -30.239 1.00 0.00 H new ATOM 0 HG12 VAL A 10 39.123 0.439 -31.915 1.00 0.00 H new ATOM 0 HG13 VAL A 10 38.571 -0.856 -30.826 1.00 0.00 H new ATOM 0 HG21 VAL A 10 40.122 0.161 -28.360 1.00 0.00 H new ATOM 0 HG22 VAL A 10 40.090 -1.544 -28.870 1.00 0.00 H new ATOM 0 HG23 VAL A 10 41.646 -0.704 -28.668 1.00 0.00 H new ATOM 135 N VAL A 11 41.819 -1.301 -33.687 1.00 0.00 N ATOM 136 CA VAL A 11 42.273 -0.784 -34.972 1.00 0.00 C ATOM 137 C VAL A 11 41.246 0.164 -35.581 1.00 0.00 C ATOM 138 O VAL A 11 40.456 -0.228 -36.440 1.00 0.00 O ATOM 139 CB VAL A 11 42.551 -1.926 -35.968 1.00 0.00 C ATOM 140 CG1 VAL A 11 43.062 -1.372 -37.288 1.00 0.00 C ATOM 141 CG2 VAL A 11 43.542 -2.917 -35.377 1.00 0.00 C ATOM 0 H VAL A 11 41.586 -2.294 -33.691 1.00 0.00 H new ATOM 0 HA VAL A 11 43.198 -0.239 -34.783 1.00 0.00 H new ATOM 0 HB VAL A 11 41.616 -2.452 -36.161 1.00 0.00 H new ATOM 0 HG11 VAL A 11 43.253 -2.194 -37.978 1.00 0.00 H new ATOM 0 HG12 VAL A 11 42.314 -0.704 -37.716 1.00 0.00 H new ATOM 0 HG13 VAL A 11 43.986 -0.820 -37.117 1.00 0.00 H new ATOM 0 HG21 VAL A 11 43.727 -3.717 -36.093 1.00 0.00 H new ATOM 0 HG22 VAL A 11 44.478 -2.406 -35.154 1.00 0.00 H new ATOM 0 HG23 VAL A 11 43.131 -3.339 -34.460 1.00 0.00 H new ATOM 151 N TYR A 12 41.269 1.416 -35.136 1.00 0.00 N ATOM 152 CA TYR A 12 40.345 2.424 -35.642 1.00 0.00 C ATOM 153 C TYR A 12 40.590 2.679 -37.126 1.00 0.00 C ATOM 154 O TYR A 12 41.354 1.961 -37.771 1.00 0.00 O ATOM 155 CB TYR A 12 40.503 3.727 -34.857 1.00 0.00 C ATOM 156 CG TYR A 12 40.043 3.630 -33.423 1.00 0.00 C ATOM 157 CD1 TYR A 12 38.693 3.684 -33.102 1.00 0.00 C ATOM 158 CD2 TYR A 12 40.960 3.480 -32.392 1.00 0.00 C ATOM 159 CE1 TYR A 12 38.269 3.590 -31.789 1.00 0.00 C ATOM 160 CE2 TYR A 12 40.545 3.387 -31.077 1.00 0.00 C ATOM 161 CZ TYR A 12 39.200 3.441 -30.782 1.00 0.00 C ATOM 162 OH TYR A 12 38.781 3.347 -29.474 1.00 0.00 O ATOM 0 H TYR A 12 41.917 1.757 -34.426 1.00 0.00 H new ATOM 0 HA TYR A 12 39.328 2.053 -35.515 1.00 0.00 H new ATOM 0 HB2 TYR A 12 41.551 4.026 -34.874 1.00 0.00 H new ATOM 0 HB3 TYR A 12 39.939 4.514 -35.358 1.00 0.00 H new ATOM 0 HD1 TYR A 12 37.963 3.801 -33.890 1.00 0.00 H new ATOM 0 HD2 TYR A 12 42.015 3.435 -32.621 1.00 0.00 H new ATOM 0 HE1 TYR A 12 37.216 3.633 -31.554 1.00 0.00 H new ATOM 0 HE2 TYR A 12 41.271 3.273 -30.285 1.00 0.00 H new ATOM 0 HH TYR A 12 38.371 4.194 -29.200 1.00 0.00 H new ATOM 172 N SER A 13 39.942 3.708 -37.660 1.00 0.00 N ATOM 173 CA SER A 13 40.096 4.057 -39.067 1.00 0.00 C ATOM 174 C SER A 13 40.197 5.568 -39.244 1.00 0.00 C ATOM 175 O SER A 13 39.622 6.334 -38.471 1.00 0.00 O ATOM 176 CB SER A 13 38.924 3.512 -39.882 1.00 0.00 C ATOM 177 OG SER A 13 39.210 2.217 -40.383 1.00 0.00 O ATOM 0 H SER A 13 39.306 4.314 -37.141 1.00 0.00 H new ATOM 0 HA SER A 13 41.019 3.605 -39.429 1.00 0.00 H new ATOM 0 HB2 SER A 13 38.030 3.475 -39.260 1.00 0.00 H new ATOM 0 HB3 SER A 13 38.708 4.187 -40.711 1.00 0.00 H new ATOM 0 HG SER A 13 38.444 1.890 -40.900 1.00 0.00 H new ATOM 183 N VAL A 14 40.935 5.988 -40.268 1.00 0.00 N ATOM 184 CA VAL A 14 41.117 7.407 -40.550 1.00 0.00 C ATOM 185 C VAL A 14 39.790 8.156 -40.485 1.00 0.00 C ATOM 186 O VAL A 14 39.105 8.319 -41.496 1.00 0.00 O ATOM 187 CB VAL A 14 41.750 7.622 -41.937 1.00 0.00 C ATOM 188 CG1 VAL A 14 41.021 6.803 -42.989 1.00 0.00 C ATOM 189 CG2 VAL A 14 41.749 9.098 -42.303 1.00 0.00 C ATOM 0 H VAL A 14 41.417 5.365 -40.916 1.00 0.00 H new ATOM 0 HA VAL A 14 41.788 7.800 -39.786 1.00 0.00 H new ATOM 0 HB VAL A 14 42.785 7.283 -41.900 1.00 0.00 H new ATOM 0 HG11 VAL A 14 41.482 6.968 -43.963 1.00 0.00 H new ATOM 0 HG12 VAL A 14 41.082 5.745 -42.733 1.00 0.00 H new ATOM 0 HG13 VAL A 14 39.975 7.108 -43.027 1.00 0.00 H new ATOM 0 HG21 VAL A 14 42.200 9.229 -43.286 1.00 0.00 H new ATOM 0 HG22 VAL A 14 40.724 9.467 -42.322 1.00 0.00 H new ATOM 0 HG23 VAL A 14 42.322 9.657 -41.563 1.00 0.00 H new ATOM 199 N GLY A 15 39.435 8.609 -39.288 1.00 0.00 N ATOM 200 CA GLY A 15 38.194 9.335 -39.101 1.00 0.00 C ATOM 201 C GLY A 15 37.176 8.543 -38.302 1.00 0.00 C ATOM 202 O GLY A 15 35.970 8.743 -38.447 1.00 0.00 O ATOM 0 H GLY A 15 39.988 8.485 -38.440 1.00 0.00 H new ATOM 0 HA2 GLY A 15 38.400 10.276 -38.591 1.00 0.00 H new ATOM 0 HA3 GLY A 15 37.773 9.586 -40.074 1.00 0.00 H new ATOM 206 N MET A 16 37.663 7.640 -37.456 1.00 0.00 N ATOM 207 CA MET A 16 36.790 6.817 -36.629 1.00 0.00 C ATOM 208 C MET A 16 36.768 7.326 -35.193 1.00 0.00 C ATOM 209 O MET A 16 36.967 6.557 -34.252 1.00 0.00 O ATOM 210 CB MET A 16 37.253 5.359 -36.661 1.00 0.00 C ATOM 211 CG MET A 16 36.191 4.371 -36.206 1.00 0.00 C ATOM 212 SD MET A 16 35.946 3.025 -37.382 1.00 0.00 S ATOM 213 CE MET A 16 36.282 1.604 -36.343 1.00 0.00 C ATOM 0 H MET A 16 38.659 7.460 -37.326 1.00 0.00 H new ATOM 0 HA MET A 16 35.779 6.879 -37.032 1.00 0.00 H new ATOM 0 HB2 MET A 16 37.560 5.107 -37.676 1.00 0.00 H new ATOM 0 HB3 MET A 16 38.132 5.252 -36.026 1.00 0.00 H new ATOM 0 HG2 MET A 16 36.476 3.956 -35.239 1.00 0.00 H new ATOM 0 HG3 MET A 16 35.248 4.898 -36.061 1.00 0.00 H new ATOM 0 HE1 MET A 16 36.625 0.774 -36.961 1.00 0.00 H new ATOM 0 HE2 MET A 16 37.054 1.859 -35.617 1.00 0.00 H new ATOM 0 HE3 MET A 16 35.372 1.314 -35.818 1.00 0.00 H new ATOM 223 N GLN A 17 36.529 8.627 -35.035 1.00 0.00 N ATOM 224 CA GLN A 17 36.483 9.247 -33.713 1.00 0.00 C ATOM 225 C GLN A 17 35.945 8.273 -32.674 1.00 0.00 C ATOM 226 O GLN A 17 34.904 7.648 -32.875 1.00 0.00 O ATOM 227 CB GLN A 17 35.615 10.507 -33.743 1.00 0.00 C ATOM 228 CG GLN A 17 36.391 11.769 -34.079 1.00 0.00 C ATOM 229 CD GLN A 17 35.779 13.013 -33.461 1.00 0.00 C ATOM 230 OE1 GLN A 17 36.490 13.891 -32.974 1.00 0.00 O ATOM 231 NE2 GLN A 17 34.453 13.092 -33.479 1.00 0.00 N ATOM 0 H GLN A 17 36.364 9.272 -35.808 1.00 0.00 H new ATOM 0 HA GLN A 17 37.501 9.523 -33.436 1.00 0.00 H new ATOM 0 HB2 GLN A 17 34.819 10.373 -34.476 1.00 0.00 H new ATOM 0 HB3 GLN A 17 35.136 10.632 -32.772 1.00 0.00 H new ATOM 0 HG2 GLN A 17 37.418 11.663 -33.731 1.00 0.00 H new ATOM 0 HG3 GLN A 17 36.432 11.888 -35.162 1.00 0.00 H new ATOM 0 HE21 GLN A 17 33.903 12.340 -33.894 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.985 13.905 -33.078 1.00 0.00 H new ATOM 240 N TRP A 18 36.665 8.143 -31.567 1.00 0.00 N ATOM 241 CA TRP A 18 36.259 7.234 -30.503 1.00 0.00 C ATOM 242 C TRP A 18 36.439 7.873 -29.128 1.00 0.00 C ATOM 243 O TRP A 18 36.750 9.059 -29.014 1.00 0.00 O ATOM 244 CB TRP A 18 37.059 5.934 -30.585 1.00 0.00 C ATOM 245 CG TRP A 18 38.511 6.109 -30.265 1.00 0.00 C ATOM 246 CD1 TRP A 18 39.079 6.130 -29.024 1.00 0.00 C ATOM 247 CD2 TRP A 18 39.581 6.289 -31.201 1.00 0.00 C ATOM 248 NE1 TRP A 18 40.435 6.308 -29.131 1.00 0.00 N ATOM 249 CE2 TRP A 18 40.770 6.409 -30.457 1.00 0.00 C ATOM 250 CE3 TRP A 18 39.650 6.358 -32.596 1.00 0.00 C ATOM 251 CZ2 TRP A 18 42.011 6.596 -31.063 1.00 0.00 C ATOM 252 CZ3 TRP A 18 40.881 6.543 -33.194 1.00 0.00 C ATOM 253 CH2 TRP A 18 42.047 6.660 -32.429 1.00 0.00 C ATOM 0 H TRP A 18 37.529 8.653 -31.383 1.00 0.00 H new ATOM 0 HA TRP A 18 35.200 7.013 -30.637 1.00 0.00 H new ATOM 0 HB2 TRP A 18 36.628 5.207 -29.897 1.00 0.00 H new ATOM 0 HB3 TRP A 18 36.963 5.519 -31.589 1.00 0.00 H new ATOM 0 HD1 TRP A 18 38.540 6.022 -28.094 1.00 0.00 H new ATOM 0 HE1 TRP A 18 41.089 6.357 -28.350 1.00 0.00 H new ATOM 0 HE3 TRP A 18 38.756 6.268 -33.195 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 42.912 6.687 -30.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 40.945 6.598 -34.271 1.00 0.00 H new ATOM 0 HH2 TRP A 18 42.994 6.804 -32.927 1.00 0.00 H new ATOM 264 N LEU A 19 36.239 7.070 -28.089 1.00 0.00 N ATOM 265 CA LEU A 19 36.371 7.540 -26.716 1.00 0.00 C ATOM 266 C LEU A 19 37.342 6.661 -25.940 1.00 0.00 C ATOM 267 O LEU A 19 37.232 5.435 -25.956 1.00 0.00 O ATOM 268 CB LEU A 19 35.007 7.539 -26.019 1.00 0.00 C ATOM 269 CG LEU A 19 33.943 8.424 -26.666 1.00 0.00 C ATOM 270 CD1 LEU A 19 34.460 9.843 -26.837 1.00 0.00 C ATOM 271 CD2 LEU A 19 33.506 7.846 -28.004 1.00 0.00 C ATOM 0 H LEU A 19 35.984 6.086 -28.173 1.00 0.00 H new ATOM 0 HA LEU A 19 36.759 8.558 -26.741 1.00 0.00 H new ATOM 0 HB2 LEU A 19 34.634 6.515 -25.987 1.00 0.00 H new ATOM 0 HB3 LEU A 19 35.145 7.860 -24.987 1.00 0.00 H new ATOM 0 HG LEU A 19 33.075 8.454 -26.008 1.00 0.00 H new ATOM 0 HD11 LEU A 19 33.688 10.458 -27.299 1.00 0.00 H new ATOM 0 HD12 LEU A 19 34.718 10.256 -25.862 1.00 0.00 H new ATOM 0 HD13 LEU A 19 35.345 9.834 -27.473 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.748 8.491 -28.449 1.00 0.00 H new ATOM 0 HD22 LEU A 19 34.366 7.783 -28.671 1.00 0.00 H new ATOM 0 HD23 LEU A 19 33.091 6.850 -27.852 1.00 0.00 H new ATOM 283 N LYS A 20 38.289 7.291 -25.257 1.00 0.00 N ATOM 284 CA LYS A 20 39.272 6.554 -24.473 1.00 0.00 C ATOM 285 C LYS A 20 39.212 6.957 -23.003 1.00 0.00 C ATOM 286 O LYS A 20 39.021 8.127 -22.674 1.00 0.00 O ATOM 287 CB LYS A 20 40.677 6.779 -25.031 1.00 0.00 C ATOM 288 CG LYS A 20 41.348 8.038 -24.513 1.00 0.00 C ATOM 289 CD LYS A 20 42.831 8.048 -24.841 1.00 0.00 C ATOM 290 CE LYS A 20 43.635 7.293 -23.797 1.00 0.00 C ATOM 291 NZ LYS A 20 44.937 7.956 -23.509 1.00 0.00 N ATOM 0 H LYS A 20 38.397 8.305 -25.230 1.00 0.00 H new ATOM 0 HA LYS A 20 39.034 5.493 -24.543 1.00 0.00 H new ATOM 0 HB2 LYS A 20 41.299 5.919 -24.782 1.00 0.00 H new ATOM 0 HB3 LYS A 20 40.622 6.829 -26.118 1.00 0.00 H new ATOM 0 HG2 LYS A 20 40.870 8.914 -24.952 1.00 0.00 H new ATOM 0 HG3 LYS A 20 41.212 8.108 -23.434 1.00 0.00 H new ATOM 0 HD2 LYS A 20 42.991 7.598 -25.821 1.00 0.00 H new ATOM 0 HD3 LYS A 20 43.185 9.077 -24.901 1.00 0.00 H new ATOM 0 HE2 LYS A 20 43.055 7.218 -22.877 1.00 0.00 H new ATOM 0 HE3 LYS A 20 43.815 6.276 -24.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 45.454 7.409 -22.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 45.502 8.005 -24.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 44.765 8.918 -23.153 1.00 0.00 H new ATOM 379 N GLN A 26 38.029 10.331 -18.520 1.00 0.00 N ATOM 380 CA GLN A 26 37.461 10.169 -19.853 1.00 0.00 C ATOM 381 C GLN A 26 38.150 11.100 -20.843 1.00 0.00 C ATOM 382 O GLN A 26 38.219 12.310 -20.631 1.00 0.00 O ATOM 383 CB GLN A 26 35.955 10.438 -19.834 1.00 0.00 C ATOM 384 CG GLN A 26 35.118 9.186 -20.034 1.00 0.00 C ATOM 385 CD GLN A 26 33.779 9.473 -20.684 1.00 0.00 C ATOM 386 OE1 GLN A 26 33.268 10.681 -20.478 1.00 0.00 O flip ATOM 387 NE2 GLN A 26 33.210 8.620 -21.364 1.00 0.00 N flip ATOM 0 HA GLN A 26 37.625 9.139 -20.171 1.00 0.00 H new ATOM 0 HB2 GLN A 26 35.687 10.898 -18.883 1.00 0.00 H new ATOM 0 HB3 GLN A 26 35.712 11.158 -20.615 1.00 0.00 H new ATOM 0 HG2 GLN A 26 35.672 8.479 -20.651 1.00 0.00 H new ATOM 0 HG3 GLN A 26 34.953 8.707 -19.069 1.00 0.00 H new ATOM 0 HE21 GLN A 26 33.639 7.704 -21.496 1.00 0.00 H new ATOM 0 HE22 GLN A 26 32.310 8.829 -21.795 1.00 0.00 H new ATOM 396 N MET A 27 38.671 10.524 -21.922 1.00 0.00 N ATOM 397 CA MET A 27 39.368 11.299 -22.941 1.00 0.00 C ATOM 398 C MET A 27 38.793 11.027 -24.327 1.00 0.00 C ATOM 399 O MET A 27 38.366 9.911 -24.626 1.00 0.00 O ATOM 400 CB MET A 27 40.860 10.963 -22.920 1.00 0.00 C ATOM 401 CG MET A 27 41.759 12.142 -23.245 1.00 0.00 C ATOM 402 SD MET A 27 43.067 11.718 -24.412 1.00 0.00 S ATOM 403 CE MET A 27 44.247 13.025 -24.089 1.00 0.00 C ATOM 0 H MET A 27 38.623 9.523 -22.113 1.00 0.00 H new ATOM 0 HA MET A 27 39.231 12.357 -22.718 1.00 0.00 H new ATOM 0 HB2 MET A 27 41.122 10.579 -21.934 1.00 0.00 H new ATOM 0 HB3 MET A 27 41.053 10.163 -23.635 1.00 0.00 H new ATOM 0 HG2 MET A 27 41.156 12.950 -23.659 1.00 0.00 H new ATOM 0 HG3 MET A 27 42.206 12.517 -22.325 1.00 0.00 H new ATOM 0 HE1 MET A 27 45.115 12.900 -24.736 1.00 0.00 H new ATOM 0 HE2 MET A 27 43.783 13.991 -24.287 1.00 0.00 H new ATOM 0 HE3 MET A 27 44.562 12.981 -23.047 1.00 0.00 H new ATOM 413 N LEU A 28 38.794 12.053 -25.170 1.00 0.00 N ATOM 414 CA LEU A 28 38.282 11.930 -26.530 1.00 0.00 C ATOM 415 C LEU A 28 39.433 11.765 -27.511 1.00 0.00 C ATOM 416 O LEU A 28 40.318 12.612 -27.578 1.00 0.00 O ATOM 417 CB LEU A 28 37.462 13.165 -26.899 1.00 0.00 C ATOM 418 CG LEU A 28 36.284 12.893 -27.829 1.00 0.00 C ATOM 419 CD1 LEU A 28 34.972 13.050 -27.080 1.00 0.00 C ATOM 420 CD2 LEU A 28 36.328 13.820 -29.034 1.00 0.00 C ATOM 0 H LEU A 28 39.145 12.982 -24.935 1.00 0.00 H new ATOM 0 HA LEU A 28 37.641 11.050 -26.582 1.00 0.00 H new ATOM 0 HB2 LEU A 28 37.087 13.622 -25.983 1.00 0.00 H new ATOM 0 HB3 LEU A 28 38.120 13.894 -27.372 1.00 0.00 H new ATOM 0 HG LEU A 28 36.356 11.866 -28.187 1.00 0.00 H new ATOM 0 HD11 LEU A 28 34.141 12.853 -27.757 1.00 0.00 H new ATOM 0 HD12 LEU A 28 34.940 12.344 -26.250 1.00 0.00 H new ATOM 0 HD13 LEU A 28 34.893 14.066 -26.694 1.00 0.00 H new ATOM 0 HD21 LEU A 28 35.480 13.610 -29.685 1.00 0.00 H new ATOM 0 HD22 LEU A 28 36.280 14.856 -28.698 1.00 0.00 H new ATOM 0 HD23 LEU A 28 37.256 13.659 -29.583 1.00 0.00 H new ATOM 432 N CYS A 29 39.426 10.670 -28.261 1.00 0.00 N ATOM 433 CA CYS A 29 40.490 10.409 -29.222 1.00 0.00 C ATOM 434 C CYS A 29 39.980 10.474 -30.657 1.00 0.00 C ATOM 435 O CYS A 29 38.889 9.991 -30.964 1.00 0.00 O ATOM 436 CB CYS A 29 41.112 9.040 -28.950 1.00 0.00 C ATOM 437 SG CYS A 29 42.542 9.083 -27.822 1.00 0.00 S ATOM 0 H CYS A 29 38.701 9.953 -28.223 1.00 0.00 H new ATOM 0 HA CYS A 29 41.247 11.185 -29.102 1.00 0.00 H new ATOM 0 HB2 CYS A 29 40.350 8.384 -28.529 1.00 0.00 H new ATOM 0 HB3 CYS A 29 41.423 8.600 -29.897 1.00 0.00 H new ATOM 442 N THR A 30 40.784 11.070 -31.534 1.00 0.00 N ATOM 443 CA THR A 30 40.426 11.194 -32.943 1.00 0.00 C ATOM 444 C THR A 30 41.649 11.033 -33.833 1.00 0.00 C ATOM 445 O THR A 30 42.659 11.711 -33.647 1.00 0.00 O ATOM 446 CB THR A 30 39.773 12.555 -33.253 1.00 0.00 C ATOM 447 OG1 THR A 30 38.632 12.757 -32.409 1.00 0.00 O ATOM 448 CG2 THR A 30 39.350 12.627 -34.716 1.00 0.00 C ATOM 0 H THR A 30 41.689 11.475 -31.293 1.00 0.00 H new ATOM 0 HA THR A 30 39.708 10.400 -33.149 1.00 0.00 H new ATOM 0 HB THR A 30 40.506 13.339 -33.062 1.00 0.00 H new ATOM 0 HG1 THR A 30 38.059 13.453 -32.794 1.00 0.00 H new ATOM 0 HG21 THR A 30 38.891 13.596 -34.915 1.00 0.00 H new ATOM 0 HG22 THR A 30 40.225 12.502 -35.354 1.00 0.00 H new ATOM 0 HG23 THR A 30 38.631 11.835 -34.926 1.00 0.00 H new ATOM 456 N CYS A 31 41.551 10.133 -34.803 1.00 0.00 N ATOM 457 CA CYS A 31 42.651 9.893 -35.724 1.00 0.00 C ATOM 458 C CYS A 31 42.448 10.668 -37.019 1.00 0.00 C ATOM 459 O CYS A 31 41.619 10.305 -37.854 1.00 0.00 O ATOM 460 CB CYS A 31 42.790 8.398 -36.009 1.00 0.00 C ATOM 461 SG CYS A 31 41.258 7.587 -36.551 1.00 0.00 S ATOM 0 H CYS A 31 40.724 9.560 -34.971 1.00 0.00 H new ATOM 0 HA CYS A 31 43.572 10.244 -35.258 1.00 0.00 H new ATOM 0 HB2 CYS A 31 43.551 8.257 -36.776 1.00 0.00 H new ATOM 0 HB3 CYS A 31 43.149 7.901 -35.108 1.00 0.00 H new ATOM 466 N LEU A 32 43.204 11.751 -37.170 1.00 0.00 N ATOM 467 CA LEU A 32 43.105 12.595 -38.354 1.00 0.00 C ATOM 468 C LEU A 32 43.862 11.988 -39.534 1.00 0.00 C ATOM 469 O LEU A 32 43.319 11.167 -40.272 1.00 0.00 O ATOM 470 CB LEU A 32 43.643 13.996 -38.051 1.00 0.00 C ATOM 471 CG LEU A 32 44.778 14.046 -37.027 1.00 0.00 C ATOM 472 CD1 LEU A 32 45.839 15.047 -37.455 1.00 0.00 C ATOM 473 CD2 LEU A 32 44.235 14.395 -35.649 1.00 0.00 C ATOM 0 H LEU A 32 43.893 12.064 -36.486 1.00 0.00 H new ATOM 0 HA LEU A 32 42.052 12.666 -38.628 1.00 0.00 H new ATOM 0 HB2 LEU A 32 43.993 14.443 -38.981 1.00 0.00 H new ATOM 0 HB3 LEU A 32 42.821 14.614 -37.690 1.00 0.00 H new ATOM 0 HG LEU A 32 45.240 13.060 -36.975 1.00 0.00 H new ATOM 0 HD11 LEU A 32 46.638 15.069 -36.714 1.00 0.00 H new ATOM 0 HD12 LEU A 32 46.248 14.753 -38.422 1.00 0.00 H new ATOM 0 HD13 LEU A 32 45.393 16.038 -37.536 1.00 0.00 H new ATOM 0 HD21 LEU A 32 45.055 14.427 -34.932 1.00 0.00 H new ATOM 0 HD22 LEU A 32 43.748 15.369 -35.686 1.00 0.00 H new ATOM 0 HD23 LEU A 32 43.512 13.639 -35.341 1.00 0.00 H new ATOM 485 N GLY A 33 45.116 12.401 -39.711 1.00 0.00 N ATOM 486 CA GLY A 33 45.915 11.885 -40.809 1.00 0.00 C ATOM 487 C GLY A 33 47.368 11.678 -40.431 1.00 0.00 C ATOM 488 O GLY A 33 47.970 10.664 -40.787 1.00 0.00 O ATOM 0 H GLY A 33 45.590 13.081 -39.116 1.00 0.00 H new ATOM 0 HA2 GLY A 33 45.493 10.938 -41.145 1.00 0.00 H new ATOM 0 HA3 GLY A 33 45.858 12.576 -41.650 1.00 0.00 H new ATOM 492 N ASN A 34 47.934 12.638 -39.708 1.00 0.00 N ATOM 493 CA ASN A 34 49.326 12.553 -39.282 1.00 0.00 C ATOM 494 C ASN A 34 49.476 11.548 -38.147 1.00 0.00 C ATOM 495 O ASN A 34 50.551 10.989 -37.934 1.00 0.00 O ATOM 496 CB ASN A 34 49.834 13.927 -38.839 1.00 0.00 C ATOM 497 CG ASN A 34 49.452 14.255 -37.408 1.00 0.00 C ATOM 498 OD1 ASN A 34 48.344 13.957 -36.965 1.00 0.00 O ATOM 499 ND2 ASN A 34 50.374 14.873 -36.677 1.00 0.00 N ATOM 0 H ASN A 34 47.451 13.484 -39.405 1.00 0.00 H new ATOM 0 HA ASN A 34 49.924 12.215 -40.129 1.00 0.00 H new ATOM 0 HB2 ASN A 34 50.919 13.959 -38.938 1.00 0.00 H new ATOM 0 HB3 ASN A 34 49.431 14.691 -39.503 1.00 0.00 H new ATOM 0 HD21 ASN A 34 50.175 15.119 -35.707 1.00 0.00 H new ATOM 0 HD22 ASN A 34 51.280 15.101 -37.086 1.00 0.00 H new ATOM 506 N GLY A 35 48.385 11.326 -37.423 1.00 0.00 N ATOM 507 CA GLY A 35 48.406 10.388 -36.318 1.00 0.00 C ATOM 508 C GLY A 35 47.062 10.281 -35.626 1.00 0.00 C ATOM 509 O GLY A 35 46.048 10.003 -36.266 1.00 0.00 O ATOM 0 H GLY A 35 47.486 11.780 -37.582 1.00 0.00 H new ATOM 0 HA2 GLY A 35 48.702 9.405 -36.685 1.00 0.00 H new ATOM 0 HA3 GLY A 35 49.160 10.699 -35.595 1.00 0.00 H new ATOM 513 N VAL A 36 47.051 10.510 -34.317 1.00 0.00 N ATOM 514 CA VAL A 36 45.819 10.444 -33.542 1.00 0.00 C ATOM 515 C VAL A 36 45.826 11.464 -32.410 1.00 0.00 C ATOM 516 O VAL A 36 46.625 11.369 -31.478 1.00 0.00 O ATOM 517 CB VAL A 36 45.587 9.036 -32.960 1.00 0.00 C ATOM 518 CG1 VAL A 36 44.460 9.053 -31.939 1.00 0.00 C ATOM 519 CG2 VAL A 36 45.292 8.047 -34.074 1.00 0.00 C ATOM 0 H VAL A 36 47.881 10.743 -33.772 1.00 0.00 H new ATOM 0 HA VAL A 36 45.004 10.676 -34.228 1.00 0.00 H new ATOM 0 HB VAL A 36 46.497 8.719 -32.450 1.00 0.00 H new ATOM 0 HG11 VAL A 36 44.314 8.049 -31.542 1.00 0.00 H new ATOM 0 HG12 VAL A 36 44.716 9.731 -31.125 1.00 0.00 H new ATOM 0 HG13 VAL A 36 43.541 9.391 -32.417 1.00 0.00 H new ATOM 0 HG21 VAL A 36 45.130 7.057 -33.648 1.00 0.00 H new ATOM 0 HG22 VAL A 36 44.398 8.361 -34.612 1.00 0.00 H new ATOM 0 HG23 VAL A 36 46.136 8.012 -34.763 1.00 0.00 H new ATOM 529 N SER A 37 44.928 12.439 -32.500 1.00 0.00 N ATOM 530 CA SER A 37 44.824 13.482 -31.487 1.00 0.00 C ATOM 531 C SER A 37 43.642 13.215 -30.563 1.00 0.00 C ATOM 532 O SER A 37 42.603 12.719 -30.999 1.00 0.00 O ATOM 533 CB SER A 37 44.669 14.853 -32.149 1.00 0.00 C ATOM 534 OG SER A 37 44.980 15.896 -31.241 1.00 0.00 O ATOM 0 H SER A 37 44.260 12.528 -33.266 1.00 0.00 H new ATOM 0 HA SER A 37 45.739 13.476 -30.895 1.00 0.00 H new ATOM 0 HB2 SER A 37 45.323 14.916 -33.019 1.00 0.00 H new ATOM 0 HB3 SER A 37 43.647 14.973 -32.509 1.00 0.00 H new ATOM 0 HG SER A 37 44.875 16.761 -31.689 1.00 0.00 H new ATOM 540 N CYS A 38 43.805 13.540 -29.286 1.00 0.00 N ATOM 541 CA CYS A 38 42.744 13.324 -28.311 1.00 0.00 C ATOM 542 C CYS A 38 42.595 14.523 -27.380 1.00 0.00 C ATOM 543 O CYS A 38 43.508 15.338 -27.249 1.00 0.00 O ATOM 544 CB CYS A 38 43.025 12.060 -27.497 1.00 0.00 C ATOM 545 SG CYS A 38 43.636 10.658 -28.487 1.00 0.00 S ATOM 0 H CYS A 38 44.656 13.952 -28.904 1.00 0.00 H new ATOM 0 HA CYS A 38 41.808 13.200 -28.855 1.00 0.00 H new ATOM 0 HB2 CYS A 38 43.759 12.293 -26.726 1.00 0.00 H new ATOM 0 HB3 CYS A 38 42.110 11.759 -26.986 1.00 0.00 H new ATOM 550 N GLN A 39 41.435 14.625 -26.733 1.00 0.00 N ATOM 551 CA GLN A 39 41.163 15.724 -25.814 1.00 0.00 C ATOM 552 C GLN A 39 40.811 15.200 -24.424 1.00 0.00 C ATOM 553 O GLN A 39 39.839 14.463 -24.256 1.00 0.00 O ATOM 554 CB GLN A 39 40.020 16.588 -26.349 1.00 0.00 C ATOM 555 CG GLN A 39 40.391 18.051 -26.519 1.00 0.00 C ATOM 556 CD GLN A 39 39.375 18.986 -25.895 1.00 0.00 C ATOM 557 OE1 GLN A 39 38.904 19.927 -26.534 1.00 0.00 O ATOM 558 NE2 GLN A 39 39.031 18.732 -24.637 1.00 0.00 N ATOM 0 H GLN A 39 40.669 13.958 -26.830 1.00 0.00 H new ATOM 0 HA GLN A 39 42.065 16.330 -25.735 1.00 0.00 H new ATOM 0 HB2 GLN A 39 39.695 16.190 -27.310 1.00 0.00 H new ATOM 0 HB3 GLN A 39 39.171 16.514 -25.669 1.00 0.00 H new ATOM 0 HG2 GLN A 39 41.368 18.229 -26.069 1.00 0.00 H new ATOM 0 HG3 GLN A 39 40.483 18.278 -27.581 1.00 0.00 H new ATOM 0 HE21 GLN A 39 39.446 17.941 -24.145 1.00 0.00 H new ATOM 0 HE22 GLN A 39 38.352 19.328 -24.164 1.00 0.00 H new ATOM 636 N GLN A 45 31.151 21.202 -17.653 1.00 0.00 N ATOM 637 CA GLN A 45 30.149 21.328 -16.603 1.00 0.00 C ATOM 638 C GLN A 45 28.741 21.269 -17.187 1.00 0.00 C ATOM 639 O GLN A 45 28.531 21.580 -18.360 1.00 0.00 O ATOM 640 CB GLN A 45 30.342 22.639 -15.837 1.00 0.00 C ATOM 641 CG GLN A 45 31.714 22.774 -15.196 1.00 0.00 C ATOM 642 CD GLN A 45 31.896 21.856 -14.004 1.00 0.00 C ATOM 643 OE1 GLN A 45 31.115 20.928 -13.794 1.00 0.00 O ATOM 644 NE2 GLN A 45 32.934 22.111 -13.214 1.00 0.00 N ATOM 0 HA GLN A 45 30.274 20.493 -15.914 1.00 0.00 H new ATOM 0 HB2 GLN A 45 30.185 23.475 -16.519 1.00 0.00 H new ATOM 0 HB3 GLN A 45 29.579 22.713 -15.062 1.00 0.00 H new ATOM 0 HG2 GLN A 45 32.481 22.554 -15.939 1.00 0.00 H new ATOM 0 HG3 GLN A 45 31.863 23.807 -14.880 1.00 0.00 H new ATOM 0 HE21 GLN A 45 33.556 22.891 -13.426 1.00 0.00 H new ATOM 0 HE22 GLN A 45 33.108 21.527 -12.396 1.00 0.00 H new ATOM 653 N THR A 46 27.780 20.867 -16.362 1.00 0.00 N ATOM 654 CA THR A 46 26.392 20.768 -16.794 1.00 0.00 C ATOM 655 C THR A 46 25.470 21.524 -15.845 1.00 0.00 C ATOM 656 O THR A 46 25.518 21.331 -14.630 1.00 0.00 O ATOM 657 CB THR A 46 25.932 19.300 -16.880 1.00 0.00 C ATOM 658 OG1 THR A 46 26.683 18.495 -15.965 1.00 0.00 O ATOM 659 CG2 THR A 46 26.100 18.763 -18.292 1.00 0.00 C ATOM 0 H THR A 46 27.938 20.604 -15.389 1.00 0.00 H new ATOM 0 HA THR A 46 26.336 21.215 -17.787 1.00 0.00 H new ATOM 0 HB THR A 46 24.875 19.258 -16.615 1.00 0.00 H new ATOM 0 HG1 THR A 46 26.383 17.564 -16.026 1.00 0.00 H new ATOM 0 HG21 THR A 46 25.769 17.725 -18.328 1.00 0.00 H new ATOM 0 HG22 THR A 46 25.502 19.359 -18.981 1.00 0.00 H new ATOM 0 HG23 THR A 46 27.150 18.819 -18.580 1.00 0.00 H new ATOM 667 N TYR A 47 24.633 22.391 -16.405 1.00 0.00 N ATOM 668 CA TYR A 47 23.703 23.179 -15.604 1.00 0.00 C ATOM 669 C TYR A 47 22.376 23.373 -16.332 1.00 0.00 C ATOM 670 O TYR A 47 22.251 23.050 -17.513 1.00 0.00 O ATOM 671 CB TYR A 47 24.315 24.541 -15.275 1.00 0.00 C ATOM 672 CG TYR A 47 24.569 25.399 -16.495 1.00 0.00 C ATOM 673 CD1 TYR A 47 23.581 26.235 -16.998 1.00 0.00 C ATOM 674 CD2 TYR A 47 25.797 25.371 -17.144 1.00 0.00 C ATOM 675 CE1 TYR A 47 23.808 27.019 -18.113 1.00 0.00 C ATOM 676 CE2 TYR A 47 26.033 26.152 -18.260 1.00 0.00 C ATOM 677 CZ TYR A 47 25.035 26.974 -18.740 1.00 0.00 C ATOM 678 OH TYR A 47 25.265 27.753 -19.851 1.00 0.00 O ATOM 0 H TYR A 47 24.579 22.566 -17.408 1.00 0.00 H new ATOM 0 HA TYR A 47 23.511 22.634 -14.679 1.00 0.00 H new ATOM 0 HB2 TYR A 47 23.649 25.075 -14.597 1.00 0.00 H new ATOM 0 HB3 TYR A 47 25.255 24.389 -14.745 1.00 0.00 H new ATOM 0 HD1 TYR A 47 22.619 26.273 -16.509 1.00 0.00 H new ATOM 0 HD2 TYR A 47 26.580 24.728 -16.770 1.00 0.00 H new ATOM 0 HE1 TYR A 47 23.028 27.664 -18.491 1.00 0.00 H new ATOM 0 HE2 TYR A 47 26.993 26.119 -18.753 1.00 0.00 H new ATOM 0 HH TYR A 47 26.179 27.604 -20.171 1.00 0.00 H new ATOM 688 N GLY A 48 21.390 23.906 -15.618 1.00 0.00 N ATOM 689 CA GLY A 48 20.085 24.143 -16.206 1.00 0.00 C ATOM 690 C GLY A 48 19.534 22.928 -16.920 1.00 0.00 C ATOM 691 O GLY A 48 19.764 21.793 -16.502 1.00 0.00 O ATOM 0 H GLY A 48 21.472 24.179 -14.639 1.00 0.00 H new ATOM 0 HA2 GLY A 48 19.389 24.446 -15.424 1.00 0.00 H new ATOM 0 HA3 GLY A 48 20.154 24.972 -16.910 1.00 0.00 H new ATOM 695 N GLY A 49 18.797 23.168 -18.000 1.00 0.00 N ATOM 696 CA GLY A 49 18.214 22.078 -18.757 1.00 0.00 C ATOM 697 C GLY A 49 17.106 21.379 -17.996 1.00 0.00 C ATOM 698 O GLY A 49 16.590 21.910 -17.013 1.00 0.00 O ATOM 0 H GLY A 49 18.594 24.099 -18.364 1.00 0.00 H new ATOM 0 HA2 GLY A 49 17.820 22.462 -19.698 1.00 0.00 H new ATOM 0 HA3 GLY A 49 18.991 21.356 -19.008 1.00 0.00 H new ATOM 702 N ASN A 50 16.742 20.184 -18.447 1.00 0.00 N ATOM 703 CA ASN A 50 15.690 19.415 -17.798 1.00 0.00 C ATOM 704 C ASN A 50 16.278 18.425 -16.797 1.00 0.00 C ATOM 705 O ASN A 50 15.579 17.548 -16.292 1.00 0.00 O ATOM 706 CB ASN A 50 14.853 18.669 -18.839 1.00 0.00 C ATOM 707 CG ASN A 50 13.398 19.094 -18.823 1.00 0.00 C ATOM 708 OD1 ASN A 50 13.044 20.158 -19.329 1.00 0.00 O ATOM 709 ND2 ASN A 50 12.544 18.260 -18.238 1.00 0.00 N ATOM 0 H ASN A 50 17.160 19.728 -19.258 1.00 0.00 H new ATOM 0 HA ASN A 50 15.047 20.112 -17.260 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.269 18.846 -19.831 1.00 0.00 H new ATOM 0 HB3 ASN A 50 14.918 17.597 -18.653 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.552 18.492 -18.196 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.881 17.388 -17.831 1.00 0.00 H new ATOM 716 N SER A 51 17.571 18.570 -16.518 1.00 0.00 N ATOM 717 CA SER A 51 18.251 17.685 -15.579 1.00 0.00 C ATOM 718 C SER A 51 19.006 18.480 -14.515 1.00 0.00 C ATOM 719 O SER A 51 19.616 17.899 -13.617 1.00 0.00 O ATOM 720 CB SER A 51 19.219 16.765 -16.324 1.00 0.00 C ATOM 721 OG SER A 51 18.777 15.419 -16.284 1.00 0.00 O ATOM 0 H SER A 51 18.166 19.290 -16.928 1.00 0.00 H new ATOM 0 HA SER A 51 17.492 17.082 -15.080 1.00 0.00 H new ATOM 0 HB2 SER A 51 19.310 17.090 -17.360 1.00 0.00 H new ATOM 0 HB3 SER A 51 20.211 16.839 -15.879 1.00 0.00 H new ATOM 0 HG SER A 51 19.016 15.022 -15.421 1.00 0.00 H new ATOM 727 N ASN A 52 18.965 19.807 -14.624 1.00 0.00 N ATOM 728 CA ASN A 52 19.644 20.685 -13.674 1.00 0.00 C ATOM 729 C ASN A 52 21.157 20.613 -13.846 1.00 0.00 C ATOM 730 O ASN A 52 21.816 21.632 -14.042 1.00 0.00 O ATOM 731 CB ASN A 52 19.259 20.326 -12.237 1.00 0.00 C ATOM 732 CG ASN A 52 20.108 21.055 -11.213 1.00 0.00 C ATOM 733 OD1 ASN A 52 21.223 20.635 -10.903 1.00 0.00 O ATOM 734 ND2 ASN A 52 19.582 22.152 -10.681 1.00 0.00 N ATOM 0 H ASN A 52 18.466 20.299 -15.365 1.00 0.00 H new ATOM 0 HA ASN A 52 19.324 21.707 -13.878 1.00 0.00 H new ATOM 0 HB2 ASN A 52 18.209 20.568 -12.073 1.00 0.00 H new ATOM 0 HB3 ASN A 52 19.364 19.251 -12.093 1.00 0.00 H new ATOM 0 HD21 ASN A 52 20.106 22.683 -9.986 1.00 0.00 H new ATOM 0 HD22 ASN A 52 18.654 22.463 -10.968 1.00 0.00 H new ATOM 741 N GLY A 53 21.698 19.406 -13.771 1.00 0.00 N ATOM 742 CA GLY A 53 23.130 19.222 -13.922 1.00 0.00 C ATOM 743 C GLY A 53 23.566 17.796 -13.647 1.00 0.00 C ATOM 744 O GLY A 53 24.576 17.566 -12.981 1.00 0.00 O ATOM 0 H GLY A 53 21.171 18.548 -13.608 1.00 0.00 H new ATOM 0 HA2 GLY A 53 23.424 19.499 -14.934 1.00 0.00 H new ATOM 0 HA3 GLY A 53 23.653 19.895 -13.243 1.00 0.00 H new ATOM 748 N GLU A 54 22.802 16.837 -14.160 1.00 0.00 N ATOM 749 CA GLU A 54 23.116 15.426 -13.966 1.00 0.00 C ATOM 750 C GLU A 54 24.172 14.961 -14.963 1.00 0.00 C ATOM 751 O GLU A 54 24.457 15.645 -15.946 1.00 0.00 O ATOM 752 CB GLU A 54 21.854 14.577 -14.106 1.00 0.00 C ATOM 753 CG GLU A 54 21.121 14.371 -12.792 1.00 0.00 C ATOM 754 CD GLU A 54 21.523 13.087 -12.094 1.00 0.00 C ATOM 755 OE1 GLU A 54 21.074 12.007 -12.532 1.00 0.00 O ATOM 756 OE2 GLU A 54 22.287 13.161 -11.109 1.00 0.00 O ATOM 0 H GLU A 54 21.962 17.011 -14.712 1.00 0.00 H new ATOM 0 HA GLU A 54 23.516 15.304 -12.959 1.00 0.00 H new ATOM 0 HB2 GLU A 54 21.181 15.053 -14.819 1.00 0.00 H new ATOM 0 HB3 GLU A 54 22.122 13.605 -14.521 1.00 0.00 H new ATOM 0 HG2 GLU A 54 21.320 15.216 -12.133 1.00 0.00 H new ATOM 0 HG3 GLU A 54 20.047 14.358 -12.978 1.00 0.00 H new ATOM 763 N PRO A 55 24.768 13.785 -14.718 1.00 0.00 N ATOM 764 CA PRO A 55 25.800 13.222 -15.595 1.00 0.00 C ATOM 765 C PRO A 55 25.255 12.858 -16.973 1.00 0.00 C ATOM 766 O PRO A 55 24.374 12.007 -17.098 1.00 0.00 O ATOM 767 CB PRO A 55 26.258 11.963 -14.853 1.00 0.00 C ATOM 768 CG PRO A 55 25.120 11.610 -13.957 1.00 0.00 C ATOM 769 CD PRO A 55 24.483 12.913 -13.567 1.00 0.00 C ATOM 0 HA PRO A 55 26.603 13.935 -15.784 1.00 0.00 H new ATOM 0 HB2 PRO A 55 26.479 11.153 -15.548 1.00 0.00 H new ATOM 0 HB3 PRO A 55 27.167 12.150 -14.282 1.00 0.00 H new ATOM 0 HG2 PRO A 55 24.406 10.964 -14.468 1.00 0.00 H new ATOM 0 HG3 PRO A 55 25.469 11.067 -13.078 1.00 0.00 H new ATOM 0 HD2 PRO A 55 23.411 12.803 -13.401 1.00 0.00 H new ATOM 0 HD3 PRO A 55 24.910 13.310 -12.646 1.00 0.00 H new ATOM 777 N CYS A 56 25.786 13.509 -18.003 1.00 0.00 N ATOM 778 CA CYS A 56 25.355 13.256 -19.373 1.00 0.00 C ATOM 779 C CYS A 56 25.367 11.762 -19.682 1.00 0.00 C ATOM 780 O CYS A 56 25.724 10.946 -18.832 1.00 0.00 O ATOM 781 CB CYS A 56 26.255 14.006 -20.357 1.00 0.00 C ATOM 782 SG CYS A 56 26.555 15.747 -19.909 1.00 0.00 S ATOM 0 H CYS A 56 26.516 14.216 -17.915 1.00 0.00 H new ATOM 0 HA CYS A 56 24.332 13.618 -19.481 1.00 0.00 H new ATOM 0 HB2 CYS A 56 27.212 13.489 -20.425 1.00 0.00 H new ATOM 0 HB3 CYS A 56 25.802 13.969 -21.348 1.00 0.00 H new ATOM 787 N VAL A 57 24.967 11.410 -20.900 1.00 0.00 N ATOM 788 CA VAL A 57 24.924 10.014 -21.315 1.00 0.00 C ATOM 789 C VAL A 57 25.297 9.860 -22.787 1.00 0.00 C ATOM 790 O VAL A 57 24.495 9.391 -23.594 1.00 0.00 O ATOM 791 CB VAL A 57 23.528 9.404 -21.087 1.00 0.00 C ATOM 792 CG1 VAL A 57 22.510 10.030 -22.028 1.00 0.00 C ATOM 793 CG2 VAL A 57 23.569 7.894 -21.263 1.00 0.00 C ATOM 0 H VAL A 57 24.668 12.073 -21.616 1.00 0.00 H new ATOM 0 HA VAL A 57 25.653 9.483 -20.703 1.00 0.00 H new ATOM 0 HB VAL A 57 23.222 9.619 -20.063 1.00 0.00 H new ATOM 0 HG11 VAL A 57 21.530 9.586 -21.852 1.00 0.00 H new ATOM 0 HG12 VAL A 57 22.460 11.104 -21.847 1.00 0.00 H new ATOM 0 HG13 VAL A 57 22.810 9.849 -23.060 1.00 0.00 H new ATOM 0 HG21 VAL A 57 22.574 7.481 -21.098 1.00 0.00 H new ATOM 0 HG22 VAL A 57 23.898 7.654 -22.274 1.00 0.00 H new ATOM 0 HG23 VAL A 57 24.265 7.463 -20.543 1.00 0.00 H new ATOM 803 N LEU A 58 26.519 10.251 -23.128 1.00 0.00 N ATOM 804 CA LEU A 58 26.996 10.149 -24.505 1.00 0.00 C ATOM 805 C LEU A 58 27.998 9.006 -24.648 1.00 0.00 C ATOM 806 O LEU A 58 28.485 8.470 -23.652 1.00 0.00 O ATOM 807 CB LEU A 58 27.641 11.462 -24.956 1.00 0.00 C ATOM 808 CG LEU A 58 28.157 12.360 -23.830 1.00 0.00 C ATOM 809 CD1 LEU A 58 27.003 12.873 -22.983 1.00 0.00 C ATOM 810 CD2 LEU A 58 29.163 11.611 -22.969 1.00 0.00 C ATOM 0 H LEU A 58 27.197 10.641 -22.473 1.00 0.00 H new ATOM 0 HA LEU A 58 26.135 9.944 -25.141 1.00 0.00 H new ATOM 0 HB2 LEU A 58 28.472 11.229 -25.622 1.00 0.00 H new ATOM 0 HB3 LEU A 58 26.912 12.023 -25.540 1.00 0.00 H new ATOM 0 HG LEU A 58 28.660 13.218 -24.277 1.00 0.00 H new ATOM 0 HD11 LEU A 58 27.390 13.510 -22.188 1.00 0.00 H new ATOM 0 HD12 LEU A 58 26.320 13.448 -23.608 1.00 0.00 H new ATOM 0 HD13 LEU A 58 26.470 12.029 -22.545 1.00 0.00 H new ATOM 0 HD21 LEU A 58 29.519 12.265 -22.173 1.00 0.00 H new ATOM 0 HD22 LEU A 58 28.686 10.734 -22.531 1.00 0.00 H new ATOM 0 HD23 LEU A 58 30.006 11.296 -23.585 1.00 0.00 H new ATOM 822 N PRO A 59 28.318 8.613 -25.893 1.00 0.00 N ATOM 823 CA PRO A 59 27.757 9.229 -27.103 1.00 0.00 C ATOM 824 C PRO A 59 26.257 8.996 -27.246 1.00 0.00 C ATOM 825 O PRO A 59 25.791 7.856 -27.221 1.00 0.00 O ATOM 826 CB PRO A 59 28.497 8.522 -28.242 1.00 0.00 C ATOM 827 CG PRO A 59 28.959 7.235 -27.656 1.00 0.00 C ATOM 828 CD PRO A 59 29.263 7.533 -26.218 1.00 0.00 C ATOM 0 HA PRO A 59 27.881 10.312 -27.088 1.00 0.00 H new ATOM 0 HB2 PRO A 59 27.841 8.354 -29.096 1.00 0.00 H new ATOM 0 HB3 PRO A 59 29.337 9.118 -28.598 1.00 0.00 H new ATOM 0 HG2 PRO A 59 28.191 6.466 -27.743 1.00 0.00 H new ATOM 0 HG3 PRO A 59 29.843 6.863 -28.175 1.00 0.00 H new ATOM 0 HD2 PRO A 59 29.110 6.659 -25.584 1.00 0.00 H new ATOM 0 HD3 PRO A 59 30.298 7.848 -26.082 1.00 0.00 H new ATOM 836 N PHE A 60 25.506 10.079 -27.413 1.00 0.00 N ATOM 837 CA PHE A 60 24.062 9.984 -27.581 1.00 0.00 C ATOM 838 C PHE A 60 23.683 10.300 -29.022 1.00 0.00 C ATOM 839 O PHE A 60 24.541 10.640 -29.836 1.00 0.00 O ATOM 840 CB PHE A 60 23.341 10.937 -26.629 1.00 0.00 C ATOM 841 CG PHE A 60 23.898 12.329 -26.641 1.00 0.00 C ATOM 842 CD1 PHE A 60 23.616 13.193 -27.686 1.00 0.00 C ATOM 843 CD2 PHE A 60 24.704 12.773 -25.607 1.00 0.00 C ATOM 844 CE1 PHE A 60 24.129 14.475 -27.699 1.00 0.00 C ATOM 845 CE2 PHE A 60 25.220 14.053 -25.614 1.00 0.00 C ATOM 846 CZ PHE A 60 24.933 14.905 -26.662 1.00 0.00 C ATOM 0 H PHE A 60 25.873 11.030 -27.436 1.00 0.00 H new ATOM 0 HA PHE A 60 23.755 8.965 -27.345 1.00 0.00 H new ATOM 0 HB2 PHE A 60 22.285 10.974 -26.896 1.00 0.00 H new ATOM 0 HB3 PHE A 60 23.400 10.539 -25.616 1.00 0.00 H new ATOM 0 HD1 PHE A 60 22.988 12.861 -28.499 1.00 0.00 H new ATOM 0 HD2 PHE A 60 24.932 12.110 -24.785 1.00 0.00 H new ATOM 0 HE1 PHE A 60 23.902 15.140 -28.519 1.00 0.00 H new ATOM 0 HE2 PHE A 60 25.847 14.388 -24.801 1.00 0.00 H new ATOM 0 HZ PHE A 60 25.337 15.907 -26.671 1.00 0.00 H new ATOM 856 N THR A 61 22.399 10.185 -29.338 1.00 0.00 N ATOM 857 CA THR A 61 21.926 10.459 -30.688 1.00 0.00 C ATOM 858 C THR A 61 20.838 11.526 -30.686 1.00 0.00 C ATOM 859 O THR A 61 19.832 11.402 -29.987 1.00 0.00 O ATOM 860 CB THR A 61 21.381 9.186 -31.363 1.00 0.00 C ATOM 861 OG1 THR A 61 21.763 8.030 -30.608 1.00 0.00 O ATOM 862 CG2 THR A 61 21.903 9.062 -32.787 1.00 0.00 C ATOM 0 H THR A 61 21.670 9.905 -28.681 1.00 0.00 H new ATOM 0 HA THR A 61 22.784 10.822 -31.254 1.00 0.00 H new ATOM 0 HB THR A 61 20.294 9.256 -31.396 1.00 0.00 H new ATOM 0 HG1 THR A 61 21.412 7.225 -31.042 1.00 0.00 H new ATOM 0 HG21 THR A 61 21.505 8.156 -33.243 1.00 0.00 H new ATOM 0 HG22 THR A 61 21.587 9.929 -33.367 1.00 0.00 H new ATOM 0 HG23 THR A 61 22.992 9.012 -32.772 1.00 0.00 H new ATOM 870 N TYR A 62 21.047 12.575 -31.475 1.00 0.00 N ATOM 871 CA TYR A 62 20.085 13.665 -31.567 1.00 0.00 C ATOM 872 C TYR A 62 19.975 14.173 -33.001 1.00 0.00 C ATOM 873 O TYR A 62 20.983 14.464 -33.645 1.00 0.00 O ATOM 874 CB TYR A 62 20.489 14.810 -30.640 1.00 0.00 C ATOM 875 CG TYR A 62 19.590 16.020 -30.756 1.00 0.00 C ATOM 876 CD1 TYR A 62 18.375 16.074 -30.083 1.00 0.00 C ATOM 877 CD2 TYR A 62 19.955 17.105 -31.540 1.00 0.00 C ATOM 878 CE1 TYR A 62 17.551 17.177 -30.191 1.00 0.00 C ATOM 879 CE2 TYR A 62 19.136 18.212 -31.653 1.00 0.00 C ATOM 880 CZ TYR A 62 17.936 18.243 -30.976 1.00 0.00 C ATOM 881 OH TYR A 62 17.116 19.342 -31.086 1.00 0.00 O ATOM 0 H TYR A 62 21.875 12.692 -32.060 1.00 0.00 H new ATOM 0 HA TYR A 62 19.112 13.283 -31.259 1.00 0.00 H new ATOM 0 HB2 TYR A 62 20.477 14.455 -29.609 1.00 0.00 H new ATOM 0 HB3 TYR A 62 21.514 15.105 -30.864 1.00 0.00 H new ATOM 0 HD1 TYR A 62 18.071 15.241 -29.466 1.00 0.00 H new ATOM 0 HD2 TYR A 62 20.895 17.084 -32.071 1.00 0.00 H new ATOM 0 HE1 TYR A 62 16.609 17.204 -29.663 1.00 0.00 H new ATOM 0 HE2 TYR A 62 19.434 19.048 -32.268 1.00 0.00 H new ATOM 0 HH TYR A 62 16.599 19.448 -30.260 1.00 0.00 H new ATOM 891 N ASN A 63 18.746 14.278 -33.495 1.00 0.00 N ATOM 892 CA ASN A 63 18.506 14.749 -34.853 1.00 0.00 C ATOM 893 C ASN A 63 19.039 13.756 -35.879 1.00 0.00 C ATOM 894 O ASN A 63 19.065 14.040 -37.077 1.00 0.00 O ATOM 895 CB ASN A 63 19.157 16.118 -35.063 1.00 0.00 C ATOM 896 CG ASN A 63 18.155 17.251 -34.966 1.00 0.00 C ATOM 897 OD1 ASN A 63 16.995 17.104 -35.349 1.00 0.00 O ATOM 898 ND2 ASN A 63 18.599 18.393 -34.451 1.00 0.00 N ATOM 0 H ASN A 63 17.901 14.043 -32.975 1.00 0.00 H new ATOM 0 HA ASN A 63 17.429 14.841 -34.992 1.00 0.00 H new ATOM 0 HB2 ASN A 63 19.940 16.264 -34.319 1.00 0.00 H new ATOM 0 HB3 ASN A 63 19.638 16.143 -36.041 1.00 0.00 H new ATOM 0 HD21 ASN A 63 17.970 19.191 -34.361 1.00 0.00 H new ATOM 0 HD22 ASN A 63 19.569 18.472 -34.146 1.00 0.00 H new ATOM 905 N GLY A 64 19.458 12.586 -35.404 1.00 0.00 N ATOM 906 CA GLY A 64 19.977 11.569 -36.298 1.00 0.00 C ATOM 907 C GLY A 64 21.488 11.448 -36.239 1.00 0.00 C ATOM 908 O GLY A 64 22.066 10.549 -36.849 1.00 0.00 O ATOM 0 H GLY A 64 19.447 12.326 -34.418 1.00 0.00 H new ATOM 0 HA2 GLY A 64 19.530 10.607 -36.045 1.00 0.00 H new ATOM 0 HA3 GLY A 64 19.676 11.802 -37.319 1.00 0.00 H new ATOM 912 N ARG A 65 22.130 12.351 -35.508 1.00 0.00 N ATOM 913 CA ARG A 65 23.583 12.330 -35.383 1.00 0.00 C ATOM 914 C ARG A 65 24.010 11.825 -34.008 1.00 0.00 C ATOM 915 O ARG A 65 23.208 11.247 -33.274 1.00 0.00 O ATOM 916 CB ARG A 65 24.162 13.723 -35.640 1.00 0.00 C ATOM 917 CG ARG A 65 23.740 14.764 -34.615 1.00 0.00 C ATOM 918 CD ARG A 65 22.826 15.813 -35.229 1.00 0.00 C ATOM 919 NE ARG A 65 23.580 16.876 -35.888 1.00 0.00 N ATOM 920 CZ ARG A 65 23.049 17.716 -36.772 1.00 0.00 C ATOM 921 NH1 ARG A 65 21.768 17.617 -37.097 1.00 0.00 N ATOM 922 NH2 ARG A 65 23.799 18.655 -37.331 1.00 0.00 N ATOM 0 H ARG A 65 21.671 13.104 -34.995 1.00 0.00 H new ATOM 0 HA ARG A 65 23.974 11.642 -36.133 1.00 0.00 H new ATOM 0 HB2 ARG A 65 25.250 13.657 -35.650 1.00 0.00 H new ATOM 0 HB3 ARG A 65 23.854 14.057 -36.631 1.00 0.00 H new ATOM 0 HG2 ARG A 65 23.228 14.274 -33.787 1.00 0.00 H new ATOM 0 HG3 ARG A 65 24.625 15.248 -34.201 1.00 0.00 H new ATOM 0 HD2 ARG A 65 22.162 15.338 -35.951 1.00 0.00 H new ATOM 0 HD3 ARG A 65 22.195 16.244 -34.452 1.00 0.00 H new ATOM 0 HE ARG A 65 24.568 16.980 -35.658 1.00 0.00 H new ATOM 0 HH11 ARG A 65 21.188 16.896 -36.669 1.00 0.00 H new ATOM 0 HH12 ARG A 65 21.363 18.262 -37.775 1.00 0.00 H new ATOM 0 HH21 ARG A 65 24.785 18.734 -37.083 1.00 0.00 H new ATOM 0 HH22 ARG A 65 23.390 19.298 -38.009 1.00 0.00 H new ATOM 936 N THR A 66 25.276 12.043 -33.668 1.00 0.00 N ATOM 937 CA THR A 66 25.811 11.606 -32.382 1.00 0.00 C ATOM 938 C THR A 66 26.785 12.632 -31.813 1.00 0.00 C ATOM 939 O THR A 66 27.477 13.324 -32.560 1.00 0.00 O ATOM 940 CB THR A 66 26.526 10.247 -32.506 1.00 0.00 C ATOM 941 OG1 THR A 66 25.668 9.297 -33.150 1.00 0.00 O ATOM 942 CG2 THR A 66 26.937 9.718 -31.140 1.00 0.00 C ATOM 0 H THR A 66 25.952 12.520 -34.265 1.00 0.00 H new ATOM 0 HA THR A 66 24.963 11.502 -31.705 1.00 0.00 H new ATOM 0 HB THR A 66 27.425 10.393 -33.106 1.00 0.00 H new ATOM 0 HG1 THR A 66 26.131 8.437 -33.226 1.00 0.00 H new ATOM 0 HG21 THR A 66 27.439 8.758 -31.258 1.00 0.00 H new ATOM 0 HG22 THR A 66 27.615 10.426 -30.664 1.00 0.00 H new ATOM 0 HG23 THR A 66 26.051 9.590 -30.518 1.00 0.00 H new ATOM 950 N PHE A 67 26.835 12.726 -30.488 1.00 0.00 N ATOM 951 CA PHE A 67 27.726 13.671 -29.825 1.00 0.00 C ATOM 952 C PHE A 67 28.421 13.026 -28.629 1.00 0.00 C ATOM 953 O PHE A 67 27.816 12.242 -27.895 1.00 0.00 O ATOM 954 CB PHE A 67 26.943 14.903 -29.369 1.00 0.00 C ATOM 955 CG PHE A 67 25.916 15.367 -30.363 1.00 0.00 C ATOM 956 CD1 PHE A 67 24.866 14.540 -30.734 1.00 0.00 C ATOM 957 CD2 PHE A 67 26.002 16.630 -30.926 1.00 0.00 C ATOM 958 CE1 PHE A 67 23.921 14.968 -31.647 1.00 0.00 C ATOM 959 CE2 PHE A 67 25.060 17.061 -31.839 1.00 0.00 C ATOM 960 CZ PHE A 67 24.018 16.230 -32.200 1.00 0.00 C ATOM 0 H PHE A 67 26.270 12.161 -29.854 1.00 0.00 H new ATOM 0 HA PHE A 67 28.489 13.974 -30.542 1.00 0.00 H new ATOM 0 HB2 PHE A 67 26.447 14.678 -28.425 1.00 0.00 H new ATOM 0 HB3 PHE A 67 27.642 15.716 -29.176 1.00 0.00 H new ATOM 0 HD1 PHE A 67 24.786 13.552 -30.305 1.00 0.00 H new ATOM 0 HD2 PHE A 67 26.815 17.285 -30.648 1.00 0.00 H new ATOM 0 HE1 PHE A 67 23.107 14.316 -31.928 1.00 0.00 H new ATOM 0 HE2 PHE A 67 25.138 18.048 -32.271 1.00 0.00 H new ATOM 0 HZ PHE A 67 23.280 16.566 -32.913 1.00 0.00 H new ATOM 970 N TYR A 68 29.693 13.363 -28.439 1.00 0.00 N ATOM 971 CA TYR A 68 30.476 12.823 -27.333 1.00 0.00 C ATOM 972 C TYR A 68 30.409 13.743 -26.118 1.00 0.00 C ATOM 973 O TYR A 68 31.202 13.613 -25.185 1.00 0.00 O ATOM 974 CB TYR A 68 31.935 12.634 -27.759 1.00 0.00 C ATOM 975 CG TYR A 68 32.159 11.442 -28.662 1.00 0.00 C ATOM 976 CD1 TYR A 68 31.125 10.561 -28.949 1.00 0.00 C ATOM 977 CD2 TYR A 68 33.405 11.196 -29.225 1.00 0.00 C ATOM 978 CE1 TYR A 68 31.324 9.468 -29.771 1.00 0.00 C ATOM 979 CE2 TYR A 68 33.613 10.106 -30.049 1.00 0.00 C ATOM 980 CZ TYR A 68 32.570 9.246 -30.319 1.00 0.00 C ATOM 981 OH TYR A 68 32.773 8.159 -31.138 1.00 0.00 O ATOM 0 H TYR A 68 30.205 14.010 -29.039 1.00 0.00 H new ATOM 0 HA TYR A 68 30.053 11.856 -27.060 1.00 0.00 H new ATOM 0 HB2 TYR A 68 32.273 13.535 -28.271 1.00 0.00 H new ATOM 0 HB3 TYR A 68 32.552 12.523 -26.868 1.00 0.00 H new ATOM 0 HD1 TYR A 68 30.148 10.733 -28.522 1.00 0.00 H new ATOM 0 HD2 TYR A 68 34.225 11.867 -29.015 1.00 0.00 H new ATOM 0 HE1 TYR A 68 30.509 8.792 -29.983 1.00 0.00 H new ATOM 0 HE2 TYR A 68 34.588 9.929 -30.479 1.00 0.00 H new ATOM 0 HH TYR A 68 33.615 8.270 -31.627 1.00 0.00 H new ATOM 991 N SER A 69 29.458 14.670 -26.135 1.00 0.00 N ATOM 992 CA SER A 69 29.286 15.612 -25.034 1.00 0.00 C ATOM 993 C SER A 69 28.213 16.644 -25.360 1.00 0.00 C ATOM 994 O SER A 69 27.404 16.448 -26.266 1.00 0.00 O ATOM 995 CB SER A 69 30.607 16.322 -24.727 1.00 0.00 C ATOM 996 OG SER A 69 30.468 17.200 -23.622 1.00 0.00 O ATOM 0 H SER A 69 28.794 14.790 -26.900 1.00 0.00 H new ATOM 0 HA SER A 69 28.970 15.046 -24.157 1.00 0.00 H new ATOM 0 HB2 SER A 69 31.380 15.583 -24.514 1.00 0.00 H new ATOM 0 HB3 SER A 69 30.934 16.883 -25.602 1.00 0.00 H new ATOM 0 HG SER A 69 29.958 16.755 -22.913 1.00 0.00 H new ATOM 1002 N CYS A 70 28.219 17.746 -24.618 1.00 0.00 N ATOM 1003 CA CYS A 70 27.251 18.813 -24.825 1.00 0.00 C ATOM 1004 C CYS A 70 27.314 19.329 -26.258 1.00 0.00 C ATOM 1005 O CYS A 70 28.329 19.176 -26.938 1.00 0.00 O ATOM 1006 CB CYS A 70 27.510 19.957 -23.845 1.00 0.00 C ATOM 1007 SG CYS A 70 27.994 19.410 -22.175 1.00 0.00 S ATOM 0 H CYS A 70 28.886 17.922 -23.867 1.00 0.00 H new ATOM 0 HA CYS A 70 26.254 18.410 -24.647 1.00 0.00 H new ATOM 0 HB2 CYS A 70 28.296 20.596 -24.248 1.00 0.00 H new ATOM 0 HB3 CYS A 70 26.610 20.567 -23.769 1.00 0.00 H new ATOM 1012 N THR A 71 26.224 19.936 -26.711 1.00 0.00 N ATOM 1013 CA THR A 71 26.155 20.470 -28.066 1.00 0.00 C ATOM 1014 C THR A 71 25.098 21.563 -28.178 1.00 0.00 C ATOM 1015 O THR A 71 24.418 21.889 -27.205 1.00 0.00 O ATOM 1016 CB THR A 71 25.834 19.367 -29.089 1.00 0.00 C ATOM 1017 OG1 THR A 71 26.037 19.856 -30.420 1.00 0.00 O ATOM 1018 CG2 THR A 71 24.397 18.889 -28.934 1.00 0.00 C ATOM 0 H THR A 71 25.376 20.071 -26.160 1.00 0.00 H new ATOM 0 HA THR A 71 27.136 20.891 -28.285 1.00 0.00 H new ATOM 0 HB THR A 71 26.504 18.527 -28.906 1.00 0.00 H new ATOM 0 HG1 THR A 71 26.037 19.104 -31.048 1.00 0.00 H new ATOM 0 HG21 THR A 71 24.192 18.109 -29.667 1.00 0.00 H new ATOM 0 HG22 THR A 71 24.253 18.490 -27.930 1.00 0.00 H new ATOM 0 HG23 THR A 71 23.716 19.725 -29.094 1.00 0.00 H new ATOM 1026 N THR A 72 24.963 22.119 -29.376 1.00 0.00 N ATOM 1027 CA THR A 72 23.987 23.170 -29.629 1.00 0.00 C ATOM 1028 C THR A 72 23.346 22.997 -31.001 1.00 0.00 C ATOM 1029 O THR A 72 23.775 23.609 -31.980 1.00 0.00 O ATOM 1030 CB THR A 72 24.630 24.565 -29.546 1.00 0.00 C ATOM 1031 OG1 THR A 72 26.008 24.496 -29.931 1.00 0.00 O ATOM 1032 CG2 THR A 72 24.521 25.126 -28.138 1.00 0.00 C ATOM 0 H THR A 72 25.520 21.858 -30.190 1.00 0.00 H new ATOM 0 HA THR A 72 23.221 23.088 -28.858 1.00 0.00 H new ATOM 0 HB THR A 72 24.096 25.227 -30.228 1.00 0.00 H new ATOM 0 HG1 THR A 72 26.408 25.389 -29.877 1.00 0.00 H new ATOM 0 HG21 THR A 72 24.982 26.113 -28.103 1.00 0.00 H new ATOM 0 HG22 THR A 72 23.470 25.206 -27.859 1.00 0.00 H new ATOM 0 HG23 THR A 72 25.032 24.462 -27.441 1.00 0.00 H new ATOM 1040 N GLU A 73 22.322 22.152 -31.068 1.00 0.00 N ATOM 1041 CA GLU A 73 21.626 21.890 -32.323 1.00 0.00 C ATOM 1042 C GLU A 73 20.123 21.737 -32.102 1.00 0.00 C ATOM 1043 O GLU A 73 19.393 21.327 -33.004 1.00 0.00 O ATOM 1044 CB GLU A 73 22.184 20.625 -32.973 1.00 0.00 C ATOM 1045 CG GLU A 73 23.425 20.870 -33.813 1.00 0.00 C ATOM 1046 CD GLU A 73 23.100 21.409 -35.191 1.00 0.00 C ATOM 1047 OE1 GLU A 73 21.903 21.626 -35.477 1.00 0.00 O ATOM 1048 OE2 GLU A 73 24.041 21.616 -35.986 1.00 0.00 O ATOM 0 H GLU A 73 21.956 21.637 -30.268 1.00 0.00 H new ATOM 0 HA GLU A 73 21.788 22.742 -32.983 1.00 0.00 H new ATOM 0 HB2 GLU A 73 22.420 19.900 -32.194 1.00 0.00 H new ATOM 0 HB3 GLU A 73 21.413 20.179 -33.601 1.00 0.00 H new ATOM 0 HG2 GLU A 73 24.076 21.575 -33.296 1.00 0.00 H new ATOM 0 HG3 GLU A 73 23.981 19.938 -33.914 1.00 0.00 H new ATOM 1055 N GLY A 74 19.671 22.069 -30.900 1.00 0.00 N ATOM 1056 CA GLY A 74 18.258 21.960 -30.580 1.00 0.00 C ATOM 1057 C GLY A 74 17.721 23.193 -29.881 1.00 0.00 C ATOM 1058 O GLY A 74 16.633 23.163 -29.304 1.00 0.00 O ATOM 0 H GLY A 74 20.257 22.412 -30.139 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.694 21.792 -31.497 1.00 0.00 H new ATOM 0 HA3 GLY A 74 18.100 21.089 -29.944 1.00 0.00 H new ATOM 1122 N HIS A 79 23.451 27.802 -26.218 1.00 0.00 N ATOM 1123 CA HIS A 79 23.942 27.172 -24.998 1.00 0.00 C ATOM 1124 C HIS A 79 24.113 25.671 -25.193 1.00 0.00 C ATOM 1125 O HIS A 79 23.161 24.967 -25.534 1.00 0.00 O ATOM 1126 CB HIS A 79 22.979 27.435 -23.839 1.00 0.00 C ATOM 1127 CG HIS A 79 22.183 28.695 -23.994 1.00 0.00 C ATOM 1128 ND1 HIS A 79 20.835 28.772 -23.710 1.00 0.00 N ATOM 1129 CD2 HIS A 79 22.551 29.931 -24.405 1.00 0.00 C ATOM 1130 CE1 HIS A 79 20.410 30.001 -23.941 1.00 0.00 C ATOM 1131 NE2 HIS A 79 21.431 30.724 -24.363 1.00 0.00 N ATOM 0 HA HIS A 79 24.914 27.606 -24.763 1.00 0.00 H new ATOM 0 HB2 HIS A 79 22.294 26.592 -23.748 1.00 0.00 H new ATOM 0 HB3 HIS A 79 23.547 27.486 -22.910 1.00 0.00 H new ATOM 0 HD2 HIS A 79 23.541 30.237 -24.709 1.00 0.00 H new ATOM 0 HE1 HIS A 79 19.398 30.355 -23.807 1.00 0.00 H new ATOM 0 HE2 HIS A 79 21.394 31.711 -24.617 1.00 0.00 H new ATOM 1140 N LEU A 80 25.328 25.183 -24.970 1.00 0.00 N ATOM 1141 CA LEU A 80 25.614 23.762 -25.119 1.00 0.00 C ATOM 1142 C LEU A 80 24.733 22.943 -24.185 1.00 0.00 C ATOM 1143 O LEU A 80 24.466 23.351 -23.056 1.00 0.00 O ATOM 1144 CB LEU A 80 27.088 23.477 -24.823 1.00 0.00 C ATOM 1145 CG LEU A 80 27.999 23.431 -26.052 1.00 0.00 C ATOM 1146 CD1 LEU A 80 27.866 24.709 -26.864 1.00 0.00 C ATOM 1147 CD2 LEU A 80 29.445 23.211 -25.632 1.00 0.00 C ATOM 0 H LEU A 80 26.128 25.749 -24.686 1.00 0.00 H new ATOM 0 HA LEU A 80 25.400 23.477 -26.149 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.461 24.242 -24.142 1.00 0.00 H new ATOM 0 HB3 LEU A 80 27.160 22.523 -24.301 1.00 0.00 H new ATOM 0 HG LEU A 80 27.691 22.595 -26.679 1.00 0.00 H new ATOM 0 HD11 LEU A 80 28.521 24.657 -27.734 1.00 0.00 H new ATOM 0 HD12 LEU A 80 26.834 24.825 -27.194 1.00 0.00 H new ATOM 0 HD13 LEU A 80 28.148 25.563 -26.248 1.00 0.00 H new ATOM 0 HD21 LEU A 80 30.080 23.181 -26.517 1.00 0.00 H new ATOM 0 HD22 LEU A 80 29.764 24.028 -24.984 1.00 0.00 H new ATOM 0 HD23 LEU A 80 29.528 22.267 -25.093 1.00 0.00 H new ATOM 1159 N TRP A 81 24.282 21.791 -24.662 1.00 0.00 N ATOM 1160 CA TRP A 81 23.428 20.919 -23.866 1.00 0.00 C ATOM 1161 C TRP A 81 23.726 19.452 -24.154 1.00 0.00 C ATOM 1162 O TRP A 81 23.936 19.065 -25.303 1.00 0.00 O ATOM 1163 CB TRP A 81 21.959 21.216 -24.157 1.00 0.00 C ATOM 1164 CG TRP A 81 21.601 21.042 -25.601 1.00 0.00 C ATOM 1165 CD1 TRP A 81 21.532 22.020 -26.551 1.00 0.00 C ATOM 1166 CD2 TRP A 81 21.266 19.816 -26.259 1.00 0.00 C ATOM 1167 NE1 TRP A 81 21.173 21.476 -27.760 1.00 0.00 N ATOM 1168 CE2 TRP A 81 21.004 20.125 -27.607 1.00 0.00 C ATOM 1169 CE3 TRP A 81 21.165 18.486 -25.841 1.00 0.00 C ATOM 1170 CZ2 TRP A 81 20.644 19.153 -28.537 1.00 0.00 C ATOM 1171 CZ3 TRP A 81 20.807 17.523 -26.765 1.00 0.00 C ATOM 1172 CH2 TRP A 81 20.552 17.860 -28.100 1.00 0.00 C ATOM 0 H TRP A 81 24.493 21.438 -25.596 1.00 0.00 H new ATOM 0 HA TRP A 81 23.633 21.112 -22.813 1.00 0.00 H new ATOM 0 HB2 TRP A 81 21.334 20.559 -23.552 1.00 0.00 H new ATOM 0 HB3 TRP A 81 21.734 22.238 -23.853 1.00 0.00 H new ATOM 0 HD1 TRP A 81 21.730 23.067 -26.377 1.00 0.00 H new ATOM 0 HE1 TRP A 81 21.052 21.994 -28.630 1.00 0.00 H new ATOM 0 HE3 TRP A 81 21.363 18.216 -24.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 20.445 19.411 -29.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 20.722 16.493 -26.452 1.00 0.00 H new ATOM 0 HH2 TRP A 81 20.277 17.084 -28.799 1.00 0.00 H new ATOM 1183 N CYS A 82 23.738 18.638 -23.103 1.00 0.00 N ATOM 1184 CA CYS A 82 24.003 17.211 -23.244 1.00 0.00 C ATOM 1185 C CYS A 82 22.794 16.392 -22.807 1.00 0.00 C ATOM 1186 O CYS A 82 21.845 16.928 -22.234 1.00 0.00 O ATOM 1187 CB CYS A 82 25.230 16.813 -22.422 1.00 0.00 C ATOM 1188 SG CYS A 82 24.924 16.720 -20.628 1.00 0.00 S ATOM 0 H CYS A 82 23.567 18.942 -22.145 1.00 0.00 H new ATOM 0 HA CYS A 82 24.200 17.004 -24.296 1.00 0.00 H new ATOM 0 HB2 CYS A 82 25.588 15.844 -22.769 1.00 0.00 H new ATOM 0 HB3 CYS A 82 26.027 17.533 -22.607 1.00 0.00 H new ATOM 1193 N SER A 83 22.831 15.093 -23.083 1.00 0.00 N ATOM 1194 CA SER A 83 21.735 14.204 -22.716 1.00 0.00 C ATOM 1195 C SER A 83 22.069 13.425 -21.449 1.00 0.00 C ATOM 1196 O SER A 83 23.221 13.058 -21.221 1.00 0.00 O ATOM 1197 CB SER A 83 21.430 13.237 -23.861 1.00 0.00 C ATOM 1198 OG SER A 83 22.405 12.212 -23.937 1.00 0.00 O ATOM 0 H SER A 83 23.607 14.633 -23.559 1.00 0.00 H new ATOM 0 HA SER A 83 20.853 14.814 -22.523 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.444 12.795 -23.715 1.00 0.00 H new ATOM 0 HB3 SER A 83 21.398 13.783 -24.804 1.00 0.00 H new ATOM 0 HG SER A 83 23.087 12.458 -24.596 1.00 0.00 H new ATOM 1204 N THR A 84 21.055 13.178 -20.626 1.00 0.00 N ATOM 1205 CA THR A 84 21.245 12.445 -19.380 1.00 0.00 C ATOM 1206 C THR A 84 20.587 11.070 -19.441 1.00 0.00 C ATOM 1207 O THR A 84 20.792 10.233 -18.561 1.00 0.00 O ATOM 1208 CB THR A 84 20.672 13.223 -18.180 1.00 0.00 C ATOM 1209 OG1 THR A 84 19.271 12.955 -18.047 1.00 0.00 O ATOM 1210 CG2 THR A 84 20.891 14.720 -18.347 1.00 0.00 C ATOM 0 H THR A 84 20.095 13.474 -20.799 1.00 0.00 H new ATOM 0 HA THR A 84 22.320 12.322 -19.247 1.00 0.00 H new ATOM 0 HB THR A 84 21.194 12.894 -17.281 1.00 0.00 H new ATOM 0 HG1 THR A 84 18.794 13.317 -18.823 1.00 0.00 H new ATOM 0 HG21 THR A 84 20.477 15.246 -17.487 1.00 0.00 H new ATOM 0 HG22 THR A 84 21.959 14.926 -18.419 1.00 0.00 H new ATOM 0 HG23 THR A 84 20.394 15.061 -19.255 1.00 0.00 H new ATOM 1218 N THR A 85 19.794 10.843 -20.483 1.00 0.00 N ATOM 1219 CA THR A 85 19.103 9.570 -20.657 1.00 0.00 C ATOM 1220 C THR A 85 19.360 8.989 -22.044 1.00 0.00 C ATOM 1221 O THR A 85 19.252 9.691 -23.050 1.00 0.00 O ATOM 1222 CB THR A 85 17.584 9.729 -20.451 1.00 0.00 C ATOM 1223 OG1 THR A 85 17.329 10.515 -19.281 1.00 0.00 O ATOM 1224 CG2 THR A 85 16.907 8.373 -20.313 1.00 0.00 C ATOM 0 H THR A 85 19.614 11.524 -21.220 1.00 0.00 H new ATOM 0 HA THR A 85 19.497 8.887 -19.904 1.00 0.00 H new ATOM 0 HB THR A 85 17.174 10.233 -21.326 1.00 0.00 H new ATOM 0 HG1 THR A 85 16.567 10.139 -18.794 1.00 0.00 H new ATOM 0 HG21 THR A 85 15.836 8.514 -20.169 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.077 7.788 -21.217 1.00 0.00 H new ATOM 0 HG23 THR A 85 17.322 7.845 -19.455 1.00 0.00 H new ATOM 1232 N SER A 86 19.698 7.703 -22.092 1.00 0.00 N ATOM 1233 CA SER A 86 19.965 7.034 -23.359 1.00 0.00 C ATOM 1234 C SER A 86 18.868 7.345 -24.369 1.00 0.00 C ATOM 1235 O SER A 86 19.105 7.359 -25.577 1.00 0.00 O ATOM 1236 CB SER A 86 20.072 5.522 -23.150 1.00 0.00 C ATOM 1237 OG SER A 86 19.801 5.172 -21.804 1.00 0.00 O ATOM 0 H SER A 86 19.793 7.106 -21.270 1.00 0.00 H new ATOM 0 HA SER A 86 20.913 7.404 -23.749 1.00 0.00 H new ATOM 0 HB2 SER A 86 19.372 5.010 -23.810 1.00 0.00 H new ATOM 0 HB3 SER A 86 21.072 5.184 -23.423 1.00 0.00 H new ATOM 0 HG SER A 86 19.874 4.201 -21.697 1.00 0.00 H new ATOM 1243 N ASN A 87 17.667 7.599 -23.862 1.00 0.00 N ATOM 1244 CA ASN A 87 16.527 7.916 -24.712 1.00 0.00 C ATOM 1245 C ASN A 87 16.005 9.318 -24.412 1.00 0.00 C ATOM 1246 O ASN A 87 14.976 9.479 -23.754 1.00 0.00 O ATOM 1247 CB ASN A 87 15.412 6.890 -24.507 1.00 0.00 C ATOM 1248 CG ASN A 87 15.020 6.195 -25.796 1.00 0.00 C ATOM 1249 OD1 ASN A 87 13.898 6.606 -26.372 1.00 0.00 O flip ATOM 1250 ND2 ASN A 87 15.721 5.298 -26.269 1.00 0.00 N flip ATOM 0 H ASN A 87 17.458 7.591 -22.864 1.00 0.00 H new ATOM 0 HA ASN A 87 16.855 7.882 -25.751 1.00 0.00 H new ATOM 0 HB2 ASN A 87 15.737 6.145 -23.780 1.00 0.00 H new ATOM 0 HB3 ASN A 87 14.538 7.387 -24.085 1.00 0.00 H new ATOM 0 HD21 ASN A 87 16.577 5.014 -25.792 1.00 0.00 H new ATOM 0 HD22 ASN A 87 15.446 4.840 -27.138 1.00 0.00 H new ATOM 1257 N TYR A 88 16.719 10.327 -24.897 1.00 0.00 N ATOM 1258 CA TYR A 88 16.327 11.715 -24.682 1.00 0.00 C ATOM 1259 C TYR A 88 15.112 12.068 -25.531 1.00 0.00 C ATOM 1260 O TYR A 88 14.475 13.101 -25.324 1.00 0.00 O ATOM 1261 CB TYR A 88 17.490 12.653 -25.014 1.00 0.00 C ATOM 1262 CG TYR A 88 17.062 14.069 -25.328 1.00 0.00 C ATOM 1263 CD1 TYR A 88 16.624 14.416 -26.602 1.00 0.00 C ATOM 1264 CD2 TYR A 88 17.093 15.059 -24.355 1.00 0.00 C ATOM 1265 CE1 TYR A 88 16.230 15.708 -26.893 1.00 0.00 C ATOM 1266 CE2 TYR A 88 16.701 16.353 -24.639 1.00 0.00 C ATOM 1267 CZ TYR A 88 16.271 16.672 -25.909 1.00 0.00 C ATOM 1268 OH TYR A 88 15.879 17.960 -26.195 1.00 0.00 O ATOM 0 H TYR A 88 17.573 10.210 -25.442 1.00 0.00 H new ATOM 0 HA TYR A 88 16.063 11.837 -23.631 1.00 0.00 H new ATOM 0 HB2 TYR A 88 18.182 12.671 -24.172 1.00 0.00 H new ATOM 0 HB3 TYR A 88 18.037 12.251 -25.867 1.00 0.00 H new ATOM 0 HD1 TYR A 88 16.591 13.663 -27.376 1.00 0.00 H new ATOM 0 HD2 TYR A 88 17.429 14.813 -23.359 1.00 0.00 H new ATOM 0 HE1 TYR A 88 15.892 15.961 -27.887 1.00 0.00 H new ATOM 0 HE2 TYR A 88 16.731 17.111 -23.870 1.00 0.00 H new ATOM 0 HH TYR A 88 15.967 18.515 -25.392 1.00 0.00 H new ATOM 1278 N GLU A 89 14.797 11.201 -26.486 1.00 0.00 N ATOM 1279 CA GLU A 89 13.660 11.419 -27.369 1.00 0.00 C ATOM 1280 C GLU A 89 12.352 11.075 -26.664 1.00 0.00 C ATOM 1281 O GLU A 89 11.268 11.394 -27.154 1.00 0.00 O ATOM 1282 CB GLU A 89 13.803 10.579 -28.639 1.00 0.00 C ATOM 1283 CG GLU A 89 14.972 11.000 -29.516 1.00 0.00 C ATOM 1284 CD GLU A 89 14.640 10.949 -30.995 1.00 0.00 C ATOM 1285 OE1 GLU A 89 14.031 9.950 -31.433 1.00 0.00 O ATOM 1286 OE2 GLU A 89 14.988 11.908 -31.715 1.00 0.00 O ATOM 0 H GLU A 89 15.314 10.341 -26.668 1.00 0.00 H new ATOM 0 HA GLU A 89 13.641 12.474 -27.641 1.00 0.00 H new ATOM 0 HB2 GLU A 89 13.926 9.532 -28.361 1.00 0.00 H new ATOM 0 HB3 GLU A 89 12.882 10.649 -29.217 1.00 0.00 H new ATOM 0 HG2 GLU A 89 15.274 12.013 -29.250 1.00 0.00 H new ATOM 0 HG3 GLU A 89 15.824 10.350 -29.316 1.00 0.00 H new ATOM 1293 N GLN A 90 12.460 10.420 -25.512 1.00 0.00 N ATOM 1294 CA GLN A 90 11.283 10.031 -24.742 1.00 0.00 C ATOM 1295 C GLN A 90 11.356 10.564 -23.313 1.00 0.00 C ATOM 1296 O GLN A 90 10.330 10.846 -22.694 1.00 0.00 O ATOM 1297 CB GLN A 90 11.140 8.508 -24.724 1.00 0.00 C ATOM 1298 CG GLN A 90 12.023 7.829 -23.694 1.00 0.00 C ATOM 1299 CD GLN A 90 11.229 7.209 -22.560 1.00 0.00 C ATOM 1300 OE1 GLN A 90 10.131 7.855 -22.185 1.00 0.00 O flip ATOM 1301 NE2 GLN A 90 11.599 6.162 -22.029 1.00 0.00 N flip ATOM 0 H GLN A 90 13.349 10.148 -25.092 1.00 0.00 H new ATOM 0 HA GLN A 90 10.409 10.468 -25.225 1.00 0.00 H new ATOM 0 HB2 GLN A 90 10.100 8.251 -24.525 1.00 0.00 H new ATOM 0 HB3 GLN A 90 11.381 8.117 -25.712 1.00 0.00 H new ATOM 0 HG2 GLN A 90 12.615 7.055 -24.183 1.00 0.00 H new ATOM 0 HG3 GLN A 90 12.724 8.557 -23.286 1.00 0.00 H new ATOM 0 HE21 GLN A 90 12.450 5.700 -22.350 1.00 0.00 H new ATOM 0 HE22 GLN A 90 11.055 5.756 -21.268 1.00 0.00 H new ATOM 1310 N ASP A 91 12.573 10.697 -22.793 1.00 0.00 N ATOM 1311 CA ASP A 91 12.772 11.194 -21.437 1.00 0.00 C ATOM 1312 C ASP A 91 12.700 12.716 -21.398 1.00 0.00 C ATOM 1313 O ASP A 91 11.925 13.292 -20.633 1.00 0.00 O ATOM 1314 CB ASP A 91 14.122 10.722 -20.893 1.00 0.00 C ATOM 1315 CG ASP A 91 13.979 9.898 -19.628 1.00 0.00 C ATOM 1316 OD1 ASP A 91 13.748 8.676 -19.739 1.00 0.00 O ATOM 1317 OD2 ASP A 91 14.098 10.476 -18.528 1.00 0.00 O ATOM 0 H ASP A 91 13.434 10.468 -23.290 1.00 0.00 H new ATOM 0 HA ASP A 91 11.974 10.795 -20.810 1.00 0.00 H new ATOM 0 HB2 ASP A 91 14.630 10.130 -21.654 1.00 0.00 H new ATOM 0 HB3 ASP A 91 14.752 11.588 -20.690 1.00 0.00 H new ATOM 1322 N GLN A 92 13.514 13.363 -22.226 1.00 0.00 N ATOM 1323 CA GLN A 92 13.544 14.820 -22.288 1.00 0.00 C ATOM 1324 C GLN A 92 14.366 15.399 -21.141 1.00 0.00 C ATOM 1325 O GLN A 92 14.259 16.583 -20.824 1.00 0.00 O ATOM 1326 CB GLN A 92 12.122 15.383 -22.245 1.00 0.00 C ATOM 1327 CG GLN A 92 11.882 16.504 -23.243 1.00 0.00 C ATOM 1328 CD GLN A 92 10.760 16.191 -24.214 1.00 0.00 C ATOM 1329 OE1 GLN A 92 9.643 16.687 -24.070 1.00 0.00 O ATOM 1330 NE2 GLN A 92 11.053 15.364 -25.210 1.00 0.00 N ATOM 0 H GLN A 92 14.162 12.901 -22.864 1.00 0.00 H new ATOM 0 HA GLN A 92 14.014 15.107 -23.229 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.415 14.577 -22.440 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.916 15.752 -21.240 1.00 0.00 H new ATOM 0 HG2 GLN A 92 11.645 17.421 -22.703 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.799 16.691 -23.802 1.00 0.00 H new ATOM 0 HE21 GLN A 92 11.993 14.976 -25.291 1.00 0.00 H new ATOM 0 HE22 GLN A 92 10.338 15.117 -25.894 1.00 0.00 H new ATOM 1339 N LYS A 93 15.188 14.556 -20.522 1.00 0.00 N ATOM 1340 CA LYS A 93 16.030 14.985 -19.411 1.00 0.00 C ATOM 1341 C LYS A 93 17.430 15.340 -19.898 1.00 0.00 C ATOM 1342 O LYS A 93 18.300 14.475 -20.009 1.00 0.00 O ATOM 1343 CB LYS A 93 16.103 13.887 -18.348 1.00 0.00 C ATOM 1344 CG LYS A 93 14.860 13.796 -17.474 1.00 0.00 C ATOM 1345 CD LYS A 93 13.614 14.248 -18.222 1.00 0.00 C ATOM 1346 CE LYS A 93 12.358 14.044 -17.389 1.00 0.00 C ATOM 1347 NZ LYS A 93 11.274 13.384 -18.170 1.00 0.00 N ATOM 0 H LYS A 93 15.288 13.572 -20.771 1.00 0.00 H new ATOM 0 HA LYS A 93 15.585 15.876 -18.969 1.00 0.00 H new ATOM 0 HB2 LYS A 93 16.261 12.927 -18.840 1.00 0.00 H new ATOM 0 HB3 LYS A 93 16.970 14.066 -17.713 1.00 0.00 H new ATOM 0 HG2 LYS A 93 14.728 12.769 -17.134 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.994 14.411 -16.584 1.00 0.00 H new ATOM 0 HD2 LYS A 93 13.709 15.301 -18.486 1.00 0.00 H new ATOM 0 HD3 LYS A 93 13.527 13.692 -19.155 1.00 0.00 H new ATOM 0 HE2 LYS A 93 12.597 13.438 -16.515 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.006 15.008 -17.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.352 13.761 -17.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 11.413 13.572 -19.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 11.300 12.358 -18.001 1.00 0.00 H new ATOM 1361 N TYR A 94 17.639 16.618 -20.193 1.00 0.00 N ATOM 1362 CA TYR A 94 18.931 17.094 -20.677 1.00 0.00 C ATOM 1363 C TYR A 94 19.489 18.195 -19.781 1.00 0.00 C ATOM 1364 O TYR A 94 18.879 18.566 -18.778 1.00 0.00 O ATOM 1365 CB TYR A 94 18.796 17.618 -22.107 1.00 0.00 C ATOM 1366 CG TYR A 94 18.055 18.934 -22.202 1.00 0.00 C ATOM 1367 CD1 TYR A 94 16.673 18.967 -22.340 1.00 0.00 C ATOM 1368 CD2 TYR A 94 18.739 20.143 -22.154 1.00 0.00 C ATOM 1369 CE1 TYR A 94 15.993 20.166 -22.429 1.00 0.00 C ATOM 1370 CE2 TYR A 94 18.065 21.348 -22.242 1.00 0.00 C ATOM 1371 CZ TYR A 94 16.693 21.353 -22.380 1.00 0.00 C ATOM 1372 OH TYR A 94 16.018 22.550 -22.468 1.00 0.00 O ATOM 0 H TYR A 94 16.929 17.345 -20.105 1.00 0.00 H new ATOM 0 HA TYR A 94 19.624 16.252 -20.659 1.00 0.00 H new ATOM 0 HB2 TYR A 94 19.791 17.739 -22.536 1.00 0.00 H new ATOM 0 HB3 TYR A 94 18.277 16.874 -22.710 1.00 0.00 H new ATOM 0 HD1 TYR A 94 16.121 18.040 -22.378 1.00 0.00 H new ATOM 0 HD2 TYR A 94 19.814 20.142 -22.046 1.00 0.00 H new ATOM 0 HE1 TYR A 94 14.918 20.174 -22.536 1.00 0.00 H new ATOM 0 HE2 TYR A 94 18.610 22.279 -22.203 1.00 0.00 H new ATOM 0 HH TYR A 94 16.658 23.291 -22.416 1.00 0.00 H new ATOM 1382 N SER A 95 20.653 18.714 -20.159 1.00 0.00 N ATOM 1383 CA SER A 95 21.305 19.778 -19.403 1.00 0.00 C ATOM 1384 C SER A 95 22.042 20.726 -20.344 1.00 0.00 C ATOM 1385 O SER A 95 22.005 20.556 -21.563 1.00 0.00 O ATOM 1386 CB SER A 95 22.283 19.186 -18.388 1.00 0.00 C ATOM 1387 OG SER A 95 23.048 20.204 -17.764 1.00 0.00 O ATOM 0 H SER A 95 21.166 18.413 -20.988 1.00 0.00 H new ATOM 0 HA SER A 95 20.538 20.339 -18.869 1.00 0.00 H new ATOM 0 HB2 SER A 95 21.733 18.625 -17.632 1.00 0.00 H new ATOM 0 HB3 SER A 95 22.948 18.481 -18.887 1.00 0.00 H new ATOM 0 HG SER A 95 22.669 20.404 -16.882 1.00 0.00 H new ATOM 1393 N PHE A 96 22.712 21.724 -19.778 1.00 0.00 N ATOM 1394 CA PHE A 96 23.455 22.689 -20.580 1.00 0.00 C ATOM 1395 C PHE A 96 24.957 22.506 -20.403 1.00 0.00 C ATOM 1396 O PHE A 96 25.407 21.562 -19.754 1.00 0.00 O ATOM 1397 CB PHE A 96 23.057 24.118 -20.207 1.00 0.00 C ATOM 1398 CG PHE A 96 21.810 24.586 -20.896 1.00 0.00 C ATOM 1399 CD1 PHE A 96 21.644 24.398 -22.259 1.00 0.00 C ATOM 1400 CD2 PHE A 96 20.801 25.213 -20.183 1.00 0.00 C ATOM 1401 CE1 PHE A 96 20.496 24.826 -22.897 1.00 0.00 C ATOM 1402 CE2 PHE A 96 19.650 25.643 -20.816 1.00 0.00 C ATOM 1403 CZ PHE A 96 19.498 25.448 -22.174 1.00 0.00 C ATOM 0 H PHE A 96 22.756 21.886 -18.772 1.00 0.00 H new ATOM 0 HA PHE A 96 23.206 22.514 -21.627 1.00 0.00 H new ATOM 0 HB2 PHE A 96 22.912 24.177 -19.128 1.00 0.00 H new ATOM 0 HB3 PHE A 96 23.876 24.793 -20.456 1.00 0.00 H new ATOM 0 HD1 PHE A 96 22.421 23.911 -22.829 1.00 0.00 H new ATOM 0 HD2 PHE A 96 20.915 25.368 -19.120 1.00 0.00 H new ATOM 0 HE1 PHE A 96 20.379 24.674 -23.960 1.00 0.00 H new ATOM 0 HE2 PHE A 96 18.871 26.131 -20.249 1.00 0.00 H new ATOM 0 HZ PHE A 96 18.599 25.782 -22.671 1.00 0.00 H new ATOM 1413 N CYS A 97 25.730 23.416 -20.987 1.00 0.00 N ATOM 1414 CA CYS A 97 27.183 23.356 -20.899 1.00 0.00 C ATOM 1415 C CYS A 97 27.794 24.744 -21.049 1.00 0.00 C ATOM 1416 O CYS A 97 27.529 25.448 -22.024 1.00 0.00 O ATOM 1417 CB CYS A 97 27.739 22.424 -21.975 1.00 0.00 C ATOM 1418 SG CYS A 97 28.780 21.078 -21.326 1.00 0.00 S ATOM 0 H CYS A 97 25.373 24.204 -21.527 1.00 0.00 H new ATOM 0 HA CYS A 97 27.448 22.966 -19.916 1.00 0.00 H new ATOM 0 HB2 CYS A 97 26.907 21.990 -22.530 1.00 0.00 H new ATOM 0 HB3 CYS A 97 28.323 23.012 -22.683 1.00 0.00 H new ATOM 1423 N THR A 98 28.615 25.131 -20.080 1.00 0.00 N ATOM 1424 CA THR A 98 29.266 26.434 -20.107 1.00 0.00 C ATOM 1425 C THR A 98 30.110 26.594 -21.364 1.00 0.00 C ATOM 1426 O THR A 98 30.367 27.710 -21.815 1.00 0.00 O ATOM 1427 CB THR A 98 30.161 26.647 -18.872 1.00 0.00 C ATOM 1428 OG1 THR A 98 31.495 26.204 -19.151 1.00 0.00 O ATOM 1429 CG2 THR A 98 29.616 25.898 -17.666 1.00 0.00 C ATOM 0 H THR A 98 28.845 24.561 -19.266 1.00 0.00 H new ATOM 0 HA THR A 98 28.474 27.183 -20.101 1.00 0.00 H new ATOM 0 HB THR A 98 30.171 27.712 -18.641 1.00 0.00 H new ATOM 0 HG1 THR A 98 32.058 26.344 -18.361 1.00 0.00 H new ATOM 0 HG21 THR A 98 30.267 26.066 -16.808 1.00 0.00 H new ATOM 0 HG22 THR A 98 28.613 26.259 -17.436 1.00 0.00 H new ATOM 0 HG23 THR A 98 29.576 24.832 -17.888 1.00 0.00 H new