USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 535 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 18 ASN : amide:sc= 0.196 K(o=-1.1,f=-5.9!) USER MOD Set 1.2: A 19 CYS SG : rot 31:sc= -1.32 USER MOD Single : A 1 TYR N :NH3+ 163:sc= 0.157 (180deg=0.0259) USER MOD Single : A 1 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 HIS : no HD1:sc= -0.67 K(o=-0.67,f=-1.4) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 18:sc= 0.504! USER MOD Single : A 12 THR OG1 : rot 103:sc= 0.29 USER MOD Single : A 16 CYS SG : rot 48:sc= 0.85 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 20:sc= -1.04 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.316 K(o=-0.32,f=-2.8!) USER MOD Single : A 29 GLN : amide:sc= -0.26 K(o=-0.26,f=-2.4!) USER MOD Single : A 30 SER OG : rot 44:sc= 0.0637 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 HIS : no HE2:sc= -0.21 K(o=-0.21,f=-0.92) USER MOD Single : A 35 GLN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.247 F(o=-1.2,f=-0.25) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0481 X(o=-0.048,f=-0.53) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 MET CE :methyl -157:sc= -0.0766 (180deg=-0.452) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 GLN :FLIP amide:sc= -2.46 F(o=-4.9!,f=-2.5) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 66 HIS : no HD1:sc=-0.00809 X(o=-0.0081,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 1 14.388 16.432 -5.267 1.00 0.00 N ATOM 2 CA TYR A 1 13.237 16.230 -4.350 1.00 0.00 C ATOM 3 C TYR A 1 12.133 15.420 -5.021 1.00 0.00 C ATOM 4 O TYR A 1 11.196 15.980 -5.590 1.00 0.00 O ATOM 5 CB TYR A 1 12.703 17.600 -3.928 1.00 0.00 C ATOM 6 CG TYR A 1 13.688 18.409 -3.114 1.00 0.00 C ATOM 7 CD1 TYR A 1 14.290 17.871 -1.982 1.00 0.00 C ATOM 8 CD2 TYR A 1 14.018 19.708 -3.477 1.00 0.00 C ATOM 9 CE1 TYR A 1 15.191 18.606 -1.237 1.00 0.00 C ATOM 10 CE2 TYR A 1 14.919 20.449 -2.736 1.00 0.00 C ATOM 11 CZ TYR A 1 15.503 19.893 -1.617 1.00 0.00 C ATOM 12 OH TYR A 1 16.400 20.629 -0.876 1.00 0.00 O ATOM 0 H1 TYR A 1 14.984 17.206 -4.911 1.00 0.00 H new ATOM 0 H2 TYR A 1 14.949 15.558 -5.317 1.00 0.00 H new ATOM 0 H3 TYR A 1 14.038 16.674 -6.216 1.00 0.00 H new ATOM 0 HA TYR A 1 13.570 15.670 -3.476 1.00 0.00 H new ATOM 0 HB2 TYR A 1 12.431 18.165 -4.820 1.00 0.00 H new ATOM 0 HB3 TYR A 1 11.791 17.462 -3.347 1.00 0.00 H new ATOM 0 HD1 TYR A 1 14.049 16.862 -1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 1 13.563 20.147 -4.353 1.00 0.00 H new ATOM 0 HE1 TYR A 1 15.649 18.174 -0.360 1.00 0.00 H new ATOM 0 HE2 TYR A 1 15.165 21.458 -3.032 1.00 0.00 H new ATOM 0 HH TYR A 1 16.509 21.515 -1.280 1.00 0.00 H new ATOM 24 N HIS A 2 12.252 14.098 -4.951 1.00 0.00 N ATOM 25 CA HIS A 2 11.264 13.210 -5.551 1.00 0.00 C ATOM 26 C HIS A 2 9.858 13.560 -5.075 1.00 0.00 C ATOM 27 O HIS A 2 9.680 14.109 -3.987 1.00 0.00 O ATOM 28 CB HIS A 2 11.582 11.754 -5.205 1.00 0.00 C ATOM 29 CG HIS A 2 11.610 11.482 -3.733 1.00 0.00 C ATOM 30 ND1 HIS A 2 10.476 11.474 -2.948 1.00 0.00 N ATOM 31 CD2 HIS A 2 12.643 11.208 -2.901 1.00 0.00 C ATOM 32 CE1 HIS A 2 10.810 11.207 -1.698 1.00 0.00 C ATOM 33 NE2 HIS A 2 12.118 11.041 -1.644 1.00 0.00 N ATOM 0 H HIS A 2 13.022 13.619 -4.485 1.00 0.00 H new ATOM 0 HA HIS A 2 11.305 13.339 -6.633 1.00 0.00 H new ATOM 0 HB2 HIS A 2 10.839 11.107 -5.672 1.00 0.00 H new ATOM 0 HB3 HIS A 2 12.549 11.490 -5.634 1.00 0.00 H new ATOM 0 HD2 HIS A 2 13.685 11.135 -3.175 1.00 0.00 H new ATOM 0 HE1 HIS A 2 10.129 11.137 -0.863 1.00 0.00 H new ATOM 0 HE2 HIS A 2 12.653 10.824 -0.803 1.00 0.00 H new ATOM 42 N ALA A 3 8.863 13.239 -5.895 1.00 0.00 N ATOM 43 CA ALA A 3 7.473 13.519 -5.556 1.00 0.00 C ATOM 44 C ALA A 3 6.763 12.257 -5.074 1.00 0.00 C ATOM 45 O ALA A 3 7.230 11.143 -5.309 1.00 0.00 O ATOM 46 CB ALA A 3 6.747 14.110 -6.754 1.00 0.00 C ATOM 0 H ALA A 3 8.993 12.785 -6.799 1.00 0.00 H new ATOM 0 HA ALA A 3 7.461 14.246 -4.744 1.00 0.00 H new ATOM 0 HB1 ALA A 3 5.710 14.314 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 3 7.234 15.038 -7.053 1.00 0.00 H new ATOM 0 HB3 ALA A 3 6.775 13.402 -7.582 1.00 0.00 H new ATOM 52 N ASP A 4 5.634 12.441 -4.398 1.00 0.00 N ATOM 53 CA ASP A 4 4.860 11.317 -3.884 1.00 0.00 C ATOM 54 C ASP A 4 5.646 10.554 -2.820 1.00 0.00 C ATOM 55 O ASP A 4 5.769 9.330 -2.883 1.00 0.00 O ATOM 56 CB ASP A 4 4.470 10.375 -5.028 1.00 0.00 C ATOM 57 CG ASP A 4 2.983 10.080 -5.055 1.00 0.00 C ATOM 58 OD1 ASP A 4 2.495 9.406 -4.125 1.00 0.00 O ATOM 59 OD2 ASP A 4 2.308 10.521 -6.009 1.00 0.00 O ATOM 0 H ASP A 4 5.235 13.357 -4.193 1.00 0.00 H new ATOM 0 HA ASP A 4 3.954 11.711 -3.423 1.00 0.00 H new ATOM 0 HB2 ASP A 4 4.766 10.820 -5.978 1.00 0.00 H new ATOM 0 HB3 ASP A 4 5.021 9.440 -4.928 1.00 0.00 H new ATOM 64 N PRO A 5 6.191 11.271 -1.822 1.00 0.00 N ATOM 65 CA PRO A 5 6.968 10.655 -0.740 1.00 0.00 C ATOM 66 C PRO A 5 6.107 9.777 0.161 1.00 0.00 C ATOM 67 O PRO A 5 6.581 8.785 0.716 1.00 0.00 O ATOM 68 CB PRO A 5 7.511 11.854 0.041 1.00 0.00 C ATOM 69 CG PRO A 5 6.560 12.961 -0.257 1.00 0.00 C ATOM 70 CD PRO A 5 6.094 12.734 -1.668 1.00 0.00 C ATOM 0 HA PRO A 5 7.746 9.995 -1.123 1.00 0.00 H new ATOM 0 HB2 PRO A 5 7.553 11.645 1.110 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.524 12.106 -0.274 1.00 0.00 H new ATOM 0 HG2 PRO A 5 5.720 12.952 0.438 1.00 0.00 H new ATOM 0 HG3 PRO A 5 7.046 13.931 -0.157 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.074 13.088 -1.817 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.722 13.258 -2.389 1.00 0.00 H new ATOM 78 N SER A 6 4.840 10.150 0.304 1.00 0.00 N ATOM 79 CA SER A 6 3.912 9.397 1.138 1.00 0.00 C ATOM 80 C SER A 6 3.295 8.238 0.361 1.00 0.00 C ATOM 81 O SER A 6 2.073 8.109 0.284 1.00 0.00 O ATOM 82 CB SER A 6 2.808 10.316 1.665 1.00 0.00 C ATOM 83 OG SER A 6 3.354 11.411 2.380 1.00 0.00 O ATOM 0 H SER A 6 4.433 10.969 -0.147 1.00 0.00 H new ATOM 0 HA SER A 6 4.471 8.988 1.980 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.208 10.684 0.832 1.00 0.00 H new ATOM 0 HB3 SER A 6 2.139 9.751 2.314 1.00 0.00 H new ATOM 0 HG SER A 6 2.628 11.984 2.705 1.00 0.00 H new ATOM 89 N LEU A 7 4.149 7.396 -0.216 1.00 0.00 N ATOM 90 CA LEU A 7 3.687 6.249 -0.988 1.00 0.00 C ATOM 91 C LEU A 7 4.665 5.083 -0.871 1.00 0.00 C ATOM 92 O LEU A 7 4.313 4.013 -0.379 1.00 0.00 O ATOM 93 CB LEU A 7 3.507 6.636 -2.459 1.00 0.00 C ATOM 94 CG LEU A 7 3.193 5.476 -3.408 1.00 0.00 C ATOM 95 CD1 LEU A 7 4.465 4.719 -3.764 1.00 0.00 C ATOM 96 CD2 LEU A 7 2.167 4.537 -2.792 1.00 0.00 C ATOM 0 H LEU A 7 5.163 7.488 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 7 2.726 5.934 -0.583 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.703 7.369 -2.529 1.00 0.00 H new ATOM 0 HB3 LEU A 7 4.417 7.128 -2.802 1.00 0.00 H new ATOM 0 HG LEU A 7 2.769 5.889 -4.323 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.223 3.898 -4.439 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.166 5.396 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.918 4.321 -2.856 1.00 0.00 H new ATOM 0 HD21 LEU A 7 1.959 3.721 -3.484 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.559 4.131 -1.859 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.247 5.085 -2.591 1.00 0.00 H new ATOM 108 N VAL A 8 5.895 5.298 -1.329 1.00 0.00 N ATOM 109 CA VAL A 8 6.923 4.264 -1.273 1.00 0.00 C ATOM 110 C VAL A 8 7.081 3.724 0.146 1.00 0.00 C ATOM 111 O VAL A 8 6.887 2.532 0.397 1.00 0.00 O ATOM 112 CB VAL A 8 8.284 4.800 -1.757 1.00 0.00 C ATOM 113 CG1 VAL A 8 9.317 3.685 -1.793 1.00 0.00 C ATOM 114 CG2 VAL A 8 8.145 5.456 -3.122 1.00 0.00 C ATOM 0 H VAL A 8 6.204 6.178 -1.743 1.00 0.00 H new ATOM 0 HA VAL A 8 6.600 3.459 -1.934 1.00 0.00 H new ATOM 0 HB VAL A 8 8.628 5.556 -1.051 1.00 0.00 H new ATOM 0 HG11 VAL A 8 10.271 4.084 -2.137 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.438 3.268 -0.793 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.984 2.902 -2.474 1.00 0.00 H new ATOM 0 HG21 VAL A 8 9.116 5.828 -3.447 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.777 4.724 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.441 6.286 -3.057 1.00 0.00 H new ATOM 124 N SER A 9 7.421 4.611 1.072 1.00 0.00 N ATOM 125 CA SER A 9 7.611 4.229 2.465 1.00 0.00 C ATOM 126 C SER A 9 6.290 3.840 3.132 1.00 0.00 C ATOM 127 O SER A 9 6.284 3.371 4.271 1.00 0.00 O ATOM 128 CB SER A 9 8.271 5.373 3.238 1.00 0.00 C ATOM 129 OG SER A 9 7.955 5.311 4.619 1.00 0.00 O ATOM 0 H SER A 9 7.571 5.602 0.883 1.00 0.00 H new ATOM 0 HA SER A 9 8.262 3.355 2.482 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.352 5.327 3.108 1.00 0.00 H new ATOM 0 HB3 SER A 9 7.941 6.328 2.830 1.00 0.00 H new ATOM 0 HG SER A 9 7.620 4.416 4.838 1.00 0.00 H new ATOM 135 N PHE A 10 5.172 4.030 2.430 1.00 0.00 N ATOM 136 CA PHE A 10 3.869 3.689 2.981 1.00 0.00 C ATOM 137 C PHE A 10 3.461 2.277 2.576 1.00 0.00 C ATOM 138 O PHE A 10 3.245 1.415 3.428 1.00 0.00 O ATOM 139 CB PHE A 10 2.813 4.692 2.510 1.00 0.00 C ATOM 140 CG PHE A 10 2.181 5.472 3.628 1.00 0.00 C ATOM 141 CD1 PHE A 10 2.965 6.129 4.563 1.00 0.00 C ATOM 142 CD2 PHE A 10 0.802 5.553 3.740 1.00 0.00 C ATOM 143 CE1 PHE A 10 2.386 6.849 5.591 1.00 0.00 C ATOM 144 CE2 PHE A 10 0.218 6.272 4.765 1.00 0.00 C ATOM 145 CZ PHE A 10 1.011 6.921 5.691 1.00 0.00 C ATOM 0 H PHE A 10 5.147 4.416 1.486 1.00 0.00 H new ATOM 0 HA PHE A 10 3.940 3.731 4.068 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.273 5.388 1.808 1.00 0.00 H new ATOM 0 HB3 PHE A 10 2.034 4.158 1.966 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.041 6.078 4.488 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.177 5.048 3.018 1.00 0.00 H new ATOM 0 HE1 PHE A 10 3.008 7.354 6.315 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.858 6.327 4.842 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.556 7.484 6.492 1.00 0.00 H new ATOM 155 N LEU A 11 3.365 2.042 1.272 1.00 0.00 N ATOM 156 CA LEU A 11 2.984 0.730 0.766 1.00 0.00 C ATOM 157 C LEU A 11 4.010 -0.322 1.181 1.00 0.00 C ATOM 158 O LEU A 11 3.678 -1.497 1.335 1.00 0.00 O ATOM 159 CB LEU A 11 2.794 0.776 -0.762 1.00 0.00 C ATOM 160 CG LEU A 11 4.002 0.390 -1.628 1.00 0.00 C ATOM 161 CD1 LEU A 11 5.246 1.133 -1.173 1.00 0.00 C ATOM 162 CD2 LEU A 11 4.230 -1.115 -1.603 1.00 0.00 C ATOM 0 H LEU A 11 3.545 2.740 0.550 1.00 0.00 H new ATOM 0 HA LEU A 11 2.028 0.445 1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 11 1.967 0.114 -1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 11 2.491 1.787 -1.035 1.00 0.00 H new ATOM 0 HG LEU A 11 3.789 0.680 -2.657 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.091 0.846 -1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.080 2.207 -1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.461 0.880 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.091 -1.363 -2.224 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.416 -1.438 -0.579 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.346 -1.623 -1.989 1.00 0.00 H new ATOM 174 N THR A 12 5.248 0.114 1.403 1.00 0.00 N ATOM 175 CA THR A 12 6.304 -0.790 1.840 1.00 0.00 C ATOM 176 C THR A 12 6.210 -1.025 3.345 1.00 0.00 C ATOM 177 O THR A 12 6.213 -2.169 3.808 1.00 0.00 O ATOM 178 CB THR A 12 7.680 -0.216 1.480 1.00 0.00 C ATOM 179 OG1 THR A 12 7.863 -0.195 0.076 1.00 0.00 O ATOM 180 CG2 THR A 12 8.834 -0.992 2.079 1.00 0.00 C ATOM 0 H THR A 12 5.542 1.084 1.287 1.00 0.00 H new ATOM 0 HA THR A 12 6.178 -1.744 1.328 1.00 0.00 H new ATOM 0 HB THR A 12 7.687 0.791 1.897 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.731 0.717 -0.257 1.00 0.00 H new ATOM 0 HG21 THR A 12 9.776 -0.530 1.783 1.00 0.00 H new ATOM 0 HG22 THR A 12 8.752 -0.985 3.166 1.00 0.00 H new ATOM 0 HG23 THR A 12 8.806 -2.021 1.720 1.00 0.00 H new ATOM 188 N GLY A 13 6.124 0.071 4.100 1.00 0.00 N ATOM 189 CA GLY A 13 5.998 -0.022 5.544 1.00 0.00 C ATOM 190 C GLY A 13 4.764 -0.796 5.942 1.00 0.00 C ATOM 191 O GLY A 13 4.715 -1.415 7.005 1.00 0.00 O ATOM 0 H GLY A 13 6.140 1.023 3.734 1.00 0.00 H new ATOM 0 HA2 GLY A 13 6.882 -0.507 5.957 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.955 0.980 5.972 1.00 0.00 H new ATOM 195 N LEU A 14 3.780 -0.788 5.053 1.00 0.00 N ATOM 196 CA LEU A 14 2.548 -1.526 5.247 1.00 0.00 C ATOM 197 C LEU A 14 2.832 -2.970 5.639 1.00 0.00 C ATOM 198 O LEU A 14 1.999 -3.638 6.252 1.00 0.00 O ATOM 199 CB LEU A 14 1.756 -1.499 3.942 1.00 0.00 C ATOM 200 CG LEU A 14 0.356 -2.121 3.991 1.00 0.00 C ATOM 201 CD1 LEU A 14 -0.334 -1.818 5.314 1.00 0.00 C ATOM 202 CD2 LEU A 14 -0.484 -1.614 2.828 1.00 0.00 C ATOM 0 H LEU A 14 3.818 -0.267 4.177 1.00 0.00 H new ATOM 0 HA LEU A 14 1.978 -1.062 6.052 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.660 -0.462 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.335 -2.017 3.178 1.00 0.00 H new ATOM 0 HG LEU A 14 0.462 -3.203 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.325 -2.272 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.257 -2.226 6.134 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -0.428 -0.739 5.436 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.476 -2.063 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.573 -0.529 2.889 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.005 -1.886 1.887 1.00 0.00 H new ATOM 214 N GLY A 15 4.009 -3.451 5.255 1.00 0.00 N ATOM 215 CA GLY A 15 4.384 -4.819 5.534 1.00 0.00 C ATOM 216 C GLY A 15 4.771 -5.577 4.278 1.00 0.00 C ATOM 217 O GLY A 15 4.928 -6.798 4.312 1.00 0.00 O ATOM 0 H GLY A 15 4.713 -2.911 4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 15 5.220 -4.829 6.234 1.00 0.00 H new ATOM 0 HA3 GLY A 15 3.553 -5.329 6.022 1.00 0.00 H new ATOM 221 N CYS A 16 4.925 -4.860 3.161 1.00 0.00 N ATOM 222 CA CYS A 16 5.293 -5.498 1.901 1.00 0.00 C ATOM 223 C CYS A 16 6.414 -4.731 1.204 1.00 0.00 C ATOM 224 O CYS A 16 6.187 -4.067 0.192 1.00 0.00 O ATOM 225 CB CYS A 16 4.078 -5.604 0.974 1.00 0.00 C ATOM 226 SG CYS A 16 2.907 -4.232 1.113 1.00 0.00 S ATOM 0 H CYS A 16 4.801 -3.849 3.106 1.00 0.00 H new ATOM 0 HA CYS A 16 5.652 -6.502 2.130 1.00 0.00 H new ATOM 0 HB2 CYS A 16 4.427 -5.664 -0.057 1.00 0.00 H new ATOM 0 HB3 CYS A 16 3.554 -6.536 1.188 1.00 0.00 H new ATOM 0 HG CYS A 16 3.553 -3.104 1.072 1.00 0.00 H new ATOM 232 N PRO A 17 7.650 -4.832 1.724 1.00 0.00 N ATOM 233 CA PRO A 17 8.810 -4.142 1.157 1.00 0.00 C ATOM 234 C PRO A 17 9.357 -4.828 -0.094 1.00 0.00 C ATOM 235 O PRO A 17 10.381 -4.411 -0.637 1.00 0.00 O ATOM 236 CB PRO A 17 9.855 -4.187 2.285 1.00 0.00 C ATOM 237 CG PRO A 17 9.166 -4.792 3.467 1.00 0.00 C ATOM 238 CD PRO A 17 8.015 -5.589 2.924 1.00 0.00 C ATOM 0 HA PRO A 17 8.550 -3.133 0.836 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.720 -4.782 1.991 1.00 0.00 H new ATOM 0 HB3 PRO A 17 10.221 -3.187 2.517 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.848 -5.429 4.030 1.00 0.00 H new ATOM 0 HG3 PRO A 17 8.815 -4.018 4.150 1.00 0.00 H new ATOM 0 HD2 PRO A 17 8.305 -6.613 2.687 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.190 -5.648 3.634 1.00 0.00 H new ATOM 246 N ASN A 18 8.684 -5.883 -0.548 1.00 0.00 N ATOM 247 CA ASN A 18 9.124 -6.609 -1.732 1.00 0.00 C ATOM 248 C ASN A 18 7.964 -6.853 -2.695 1.00 0.00 C ATOM 249 O ASN A 18 8.039 -7.727 -3.559 1.00 0.00 O ATOM 250 CB ASN A 18 9.756 -7.943 -1.328 1.00 0.00 C ATOM 251 CG ASN A 18 8.744 -8.910 -0.745 1.00 0.00 C ATOM 252 OD1 ASN A 18 7.690 -8.503 -0.254 1.00 0.00 O ATOM 253 ND2 ASN A 18 9.060 -10.198 -0.796 1.00 0.00 N ATOM 0 H ASN A 18 7.837 -6.251 -0.115 1.00 0.00 H new ATOM 0 HA ASN A 18 9.868 -5.998 -2.243 1.00 0.00 H new ATOM 0 HB2 ASN A 18 10.228 -8.397 -2.199 1.00 0.00 H new ATOM 0 HB3 ASN A 18 10.544 -7.762 -0.597 1.00 0.00 H new ATOM 0 HD21 ASN A 18 8.419 -10.896 -0.419 1.00 0.00 H new ATOM 0 HD22 ASN A 18 9.944 -10.490 -1.212 1.00 0.00 H new ATOM 260 N CYS A 19 6.897 -6.071 -2.551 1.00 0.00 N ATOM 261 CA CYS A 19 5.731 -6.207 -3.416 1.00 0.00 C ATOM 262 C CYS A 19 5.548 -4.968 -4.288 1.00 0.00 C ATOM 263 O CYS A 19 4.938 -5.035 -5.355 1.00 0.00 O ATOM 264 CB CYS A 19 4.472 -6.446 -2.579 1.00 0.00 C ATOM 265 SG CYS A 19 4.597 -7.845 -1.441 1.00 0.00 S ATOM 0 H CYS A 19 6.817 -5.339 -1.845 1.00 0.00 H new ATOM 0 HA CYS A 19 5.895 -7.065 -4.068 1.00 0.00 H new ATOM 0 HB2 CYS A 19 4.252 -5.545 -2.007 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.629 -6.611 -3.250 1.00 0.00 H new ATOM 0 HG CYS A 19 5.829 -7.976 -1.048 1.00 0.00 H new ATOM 271 N ILE A 20 6.078 -3.841 -3.826 1.00 0.00 N ATOM 272 CA ILE A 20 5.974 -2.589 -4.563 1.00 0.00 C ATOM 273 C ILE A 20 6.394 -2.767 -6.014 1.00 0.00 C ATOM 274 O ILE A 20 5.838 -2.142 -6.913 1.00 0.00 O ATOM 275 CB ILE A 20 6.849 -1.497 -3.929 1.00 0.00 C ATOM 276 CG1 ILE A 20 6.669 -0.170 -4.671 1.00 0.00 C ATOM 277 CG2 ILE A 20 8.306 -1.926 -3.951 1.00 0.00 C ATOM 278 CD1 ILE A 20 5.270 0.394 -4.565 1.00 0.00 C ATOM 0 H ILE A 20 6.584 -3.770 -2.943 1.00 0.00 H new ATOM 0 HA ILE A 20 4.928 -2.286 -4.523 1.00 0.00 H new ATOM 0 HB ILE A 20 6.540 -1.353 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.377 0.558 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 20 6.916 -0.314 -5.723 1.00 0.00 H new ATOM 0 HG21 ILE A 20 8.921 -1.147 -3.500 1.00 0.00 H new ATOM 0 HG22 ILE A 20 8.421 -2.852 -3.387 1.00 0.00 H new ATOM 0 HG23 ILE A 20 8.622 -2.087 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.214 1.334 -5.114 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.559 -0.316 -4.988 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.027 0.570 -3.517 1.00 0.00 H new ATOM 290 N GLU A 21 7.401 -3.601 -6.232 1.00 0.00 N ATOM 291 CA GLU A 21 7.896 -3.864 -7.575 1.00 0.00 C ATOM 292 C GLU A 21 6.838 -4.577 -8.404 1.00 0.00 C ATOM 293 O GLU A 21 6.654 -4.287 -9.587 1.00 0.00 O ATOM 294 CB GLU A 21 9.153 -4.722 -7.505 1.00 0.00 C ATOM 295 CG GLU A 21 10.306 -4.053 -6.773 1.00 0.00 C ATOM 296 CD GLU A 21 11.454 -3.692 -7.695 1.00 0.00 C ATOM 297 OE1 GLU A 21 12.327 -4.555 -7.923 1.00 0.00 O ATOM 298 OE2 GLU A 21 11.479 -2.543 -8.187 1.00 0.00 O ATOM 0 H GLU A 21 7.891 -4.107 -5.495 1.00 0.00 H new ATOM 0 HA GLU A 21 8.132 -2.911 -8.050 1.00 0.00 H new ATOM 0 HB2 GLU A 21 8.914 -5.662 -7.007 1.00 0.00 H new ATOM 0 HB3 GLU A 21 9.471 -4.969 -8.518 1.00 0.00 H new ATOM 0 HG2 GLU A 21 9.944 -3.151 -6.280 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.670 -4.719 -5.991 1.00 0.00 H new ATOM 305 N TYR A 22 6.151 -5.518 -7.772 1.00 0.00 N ATOM 306 CA TYR A 22 5.100 -6.277 -8.437 1.00 0.00 C ATOM 307 C TYR A 22 3.855 -5.421 -8.611 1.00 0.00 C ATOM 308 O TYR A 22 3.101 -5.586 -9.570 1.00 0.00 O ATOM 309 CB TYR A 22 4.771 -7.541 -7.637 1.00 0.00 C ATOM 310 CG TYR A 22 5.988 -8.222 -7.046 1.00 0.00 C ATOM 311 CD1 TYR A 22 7.247 -8.061 -7.616 1.00 0.00 C ATOM 312 CD2 TYR A 22 5.878 -9.028 -5.920 1.00 0.00 C ATOM 313 CE1 TYR A 22 8.359 -8.680 -7.078 1.00 0.00 C ATOM 314 CE2 TYR A 22 6.986 -9.651 -5.377 1.00 0.00 C ATOM 315 CZ TYR A 22 8.224 -9.474 -5.960 1.00 0.00 C ATOM 316 OH TYR A 22 9.329 -10.094 -5.423 1.00 0.00 O ATOM 0 H TYR A 22 6.303 -5.775 -6.797 1.00 0.00 H new ATOM 0 HA TYR A 22 5.456 -6.572 -9.424 1.00 0.00 H new ATOM 0 HB2 TYR A 22 4.084 -7.282 -6.832 1.00 0.00 H new ATOM 0 HB3 TYR A 22 4.251 -8.246 -8.286 1.00 0.00 H new ATOM 0 HD1 TYR A 22 7.357 -7.442 -8.494 1.00 0.00 H new ATOM 0 HD2 TYR A 22 4.911 -9.170 -5.461 1.00 0.00 H new ATOM 0 HE1 TYR A 22 9.329 -8.542 -7.532 1.00 0.00 H new ATOM 0 HE2 TYR A 22 6.883 -10.273 -4.500 1.00 0.00 H new ATOM 0 HH TYR A 22 9.062 -10.615 -4.637 1.00 0.00 H new ATOM 326 N PHE A 23 3.657 -4.492 -7.683 1.00 0.00 N ATOM 327 CA PHE A 23 2.523 -3.582 -7.745 1.00 0.00 C ATOM 328 C PHE A 23 2.813 -2.437 -8.707 1.00 0.00 C ATOM 329 O PHE A 23 1.958 -2.047 -9.501 1.00 0.00 O ATOM 330 CB PHE A 23 2.210 -3.025 -6.355 1.00 0.00 C ATOM 331 CG PHE A 23 1.182 -3.822 -5.604 1.00 0.00 C ATOM 332 CD1 PHE A 23 1.510 -5.044 -5.041 1.00 0.00 C ATOM 333 CD2 PHE A 23 -0.111 -3.346 -5.457 1.00 0.00 C ATOM 334 CE1 PHE A 23 0.567 -5.779 -4.348 1.00 0.00 C ATOM 335 CE2 PHE A 23 -1.059 -4.077 -4.766 1.00 0.00 C ATOM 336 CZ PHE A 23 -0.719 -5.294 -4.211 1.00 0.00 C ATOM 0 H PHE A 23 4.268 -4.350 -6.879 1.00 0.00 H new ATOM 0 HA PHE A 23 1.657 -4.137 -8.107 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.130 -2.992 -5.771 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.859 -1.998 -6.455 1.00 0.00 H new ATOM 0 HD1 PHE A 23 2.514 -5.427 -5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -0.381 -2.393 -5.887 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.835 -6.731 -3.914 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -2.064 -3.696 -4.661 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.458 -5.867 -3.670 1.00 0.00 H new ATOM 346 N THR A 24 4.032 -1.910 -8.636 1.00 0.00 N ATOM 347 CA THR A 24 4.439 -0.814 -9.507 1.00 0.00 C ATOM 348 C THR A 24 4.183 -1.157 -10.970 1.00 0.00 C ATOM 349 O THR A 24 3.930 -0.275 -11.791 1.00 0.00 O ATOM 350 CB THR A 24 5.921 -0.494 -9.302 1.00 0.00 C ATOM 351 OG1 THR A 24 6.689 -1.685 -9.261 1.00 0.00 O ATOM 352 CG2 THR A 24 6.195 0.276 -8.031 1.00 0.00 C ATOM 0 H THR A 24 4.753 -2.224 -7.986 1.00 0.00 H new ATOM 0 HA THR A 24 3.844 0.061 -9.247 1.00 0.00 H new ATOM 0 HB THR A 24 6.204 0.128 -10.151 1.00 0.00 H new ATOM 0 HG1 THR A 24 6.188 -2.412 -9.686 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.264 0.470 -7.947 1.00 0.00 H new ATOM 0 HG22 THR A 24 5.655 1.223 -8.055 1.00 0.00 H new ATOM 0 HG23 THR A 24 5.864 -0.309 -7.173 1.00 0.00 H new ATOM 360 N SER A 25 4.249 -2.445 -11.289 1.00 0.00 N ATOM 361 CA SER A 25 4.032 -2.911 -12.654 1.00 0.00 C ATOM 362 C SER A 25 2.760 -2.313 -13.247 1.00 0.00 C ATOM 363 O SER A 25 2.642 -2.163 -14.463 1.00 0.00 O ATOM 364 CB SER A 25 3.949 -4.438 -12.685 1.00 0.00 C ATOM 365 OG SER A 25 4.510 -4.956 -13.879 1.00 0.00 O ATOM 0 H SER A 25 4.452 -3.187 -10.619 1.00 0.00 H new ATOM 0 HA SER A 25 4.878 -2.583 -13.257 1.00 0.00 H new ATOM 0 HB2 SER A 25 4.474 -4.851 -11.824 1.00 0.00 H new ATOM 0 HB3 SER A 25 2.908 -4.750 -12.603 1.00 0.00 H new ATOM 0 HG SER A 25 4.446 -5.934 -13.873 1.00 0.00 H new ATOM 371 N GLN A 26 1.808 -1.978 -12.382 1.00 0.00 N ATOM 372 CA GLN A 26 0.541 -1.404 -12.826 1.00 0.00 C ATOM 373 C GLN A 26 0.539 0.111 -12.655 1.00 0.00 C ATOM 374 O GLN A 26 0.349 0.854 -13.618 1.00 0.00 O ATOM 375 CB GLN A 26 -0.627 -2.015 -12.044 1.00 0.00 C ATOM 376 CG GLN A 26 -0.400 -3.460 -11.630 1.00 0.00 C ATOM 377 CD GLN A 26 -0.153 -4.376 -12.812 1.00 0.00 C ATOM 378 OE1 GLN A 26 -0.280 -3.967 -13.967 1.00 0.00 O ATOM 379 NE2 GLN A 26 0.203 -5.622 -12.528 1.00 0.00 N ATOM 0 H GLN A 26 1.889 -2.093 -11.372 1.00 0.00 H new ATOM 0 HA GLN A 26 0.422 -1.635 -13.885 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.808 -1.415 -11.152 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.529 -1.959 -12.654 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.453 -3.510 -10.953 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.269 -3.815 -11.076 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.296 -5.917 -11.556 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.384 -6.285 -13.282 1.00 0.00 H new ATOM 388 N GLY A 27 0.747 0.562 -11.422 1.00 0.00 N ATOM 389 CA GLY A 27 0.762 1.985 -11.143 1.00 0.00 C ATOM 390 C GLY A 27 0.709 2.284 -9.659 1.00 0.00 C ATOM 391 O GLY A 27 -0.055 3.143 -9.219 1.00 0.00 O ATOM 0 H GLY A 27 0.906 -0.035 -10.610 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.664 2.426 -11.568 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.087 2.458 -11.637 1.00 0.00 H new ATOM 395 N LEU A 28 1.536 1.586 -8.887 1.00 0.00 N ATOM 396 CA LEU A 28 1.574 1.773 -7.444 1.00 0.00 C ATOM 397 C LEU A 28 2.735 2.673 -7.038 1.00 0.00 C ATOM 398 O LEU A 28 3.392 2.438 -6.025 1.00 0.00 O ATOM 399 CB LEU A 28 1.690 0.419 -6.743 1.00 0.00 C ATOM 400 CG LEU A 28 0.601 0.127 -5.709 1.00 0.00 C ATOM 401 CD1 LEU A 28 0.729 1.065 -4.521 1.00 0.00 C ATOM 402 CD2 LEU A 28 -0.782 0.237 -6.338 1.00 0.00 C ATOM 0 H LEU A 28 2.189 0.886 -9.239 1.00 0.00 H new ATOM 0 HA LEU A 28 0.646 2.257 -7.139 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.672 -0.366 -7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.661 0.365 -6.250 1.00 0.00 H new ATOM 0 HG LEU A 28 0.731 -0.895 -5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.054 0.843 -3.796 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.705 0.930 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.628 2.096 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.542 0.026 -5.586 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.926 1.245 -6.726 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.869 -0.481 -7.153 1.00 0.00 H new ATOM 414 N GLN A 29 2.971 3.714 -7.829 1.00 0.00 N ATOM 415 CA GLN A 29 4.030 4.672 -7.535 1.00 0.00 C ATOM 416 C GLN A 29 3.444 5.915 -6.878 1.00 0.00 C ATOM 417 O GLN A 29 4.101 6.579 -6.075 1.00 0.00 O ATOM 418 CB GLN A 29 4.777 5.053 -8.816 1.00 0.00 C ATOM 419 CG GLN A 29 3.889 5.695 -9.870 1.00 0.00 C ATOM 420 CD GLN A 29 4.205 7.162 -10.081 1.00 0.00 C ATOM 421 OE1 GLN A 29 4.940 7.770 -9.302 1.00 0.00 O ATOM 422 NE2 GLN A 29 3.649 7.740 -11.140 1.00 0.00 N ATOM 0 H GLN A 29 2.443 3.916 -8.678 1.00 0.00 H new ATOM 0 HA GLN A 29 4.737 4.209 -6.846 1.00 0.00 H new ATOM 0 HB2 GLN A 29 5.584 5.741 -8.565 1.00 0.00 H new ATOM 0 HB3 GLN A 29 5.239 4.160 -9.237 1.00 0.00 H new ATOM 0 HG2 GLN A 29 4.007 5.162 -10.813 1.00 0.00 H new ATOM 0 HG3 GLN A 29 2.845 5.591 -9.574 1.00 0.00 H new ATOM 0 HE21 GLN A 29 3.046 7.198 -11.759 1.00 0.00 H new ATOM 0 HE22 GLN A 29 3.825 8.726 -11.334 1.00 0.00 H new ATOM 431 N SER A 30 2.190 6.208 -7.210 1.00 0.00 N ATOM 432 CA SER A 30 1.483 7.343 -6.633 1.00 0.00 C ATOM 433 C SER A 30 0.292 6.860 -5.818 1.00 0.00 C ATOM 434 O SER A 30 -0.641 6.272 -6.363 1.00 0.00 O ATOM 435 CB SER A 30 1.013 8.297 -7.732 1.00 0.00 C ATOM 436 OG SER A 30 0.458 7.583 -8.823 1.00 0.00 O ATOM 0 H SER A 30 1.641 5.670 -7.880 1.00 0.00 H new ATOM 0 HA SER A 30 2.168 7.879 -5.976 1.00 0.00 H new ATOM 0 HB2 SER A 30 0.270 8.985 -7.328 1.00 0.00 H new ATOM 0 HB3 SER A 30 1.852 8.901 -8.077 1.00 0.00 H new ATOM 0 HG SER A 30 -0.134 6.878 -8.486 1.00 0.00 H new ATOM 442 N ILE A 31 0.329 7.100 -4.510 1.00 0.00 N ATOM 443 CA ILE A 31 -0.747 6.659 -3.627 1.00 0.00 C ATOM 444 C ILE A 31 -2.115 7.033 -4.199 1.00 0.00 C ATOM 445 O ILE A 31 -3.118 6.371 -3.929 1.00 0.00 O ATOM 446 CB ILE A 31 -0.588 7.219 -2.197 1.00 0.00 C ATOM 447 CG1 ILE A 31 -1.378 6.355 -1.211 1.00 0.00 C ATOM 448 CG2 ILE A 31 -1.031 8.674 -2.114 1.00 0.00 C ATOM 449 CD1 ILE A 31 -0.506 5.644 -0.199 1.00 0.00 C ATOM 0 H ILE A 31 1.087 7.594 -4.040 1.00 0.00 H new ATOM 0 HA ILE A 31 -0.682 5.573 -3.564 1.00 0.00 H new ATOM 0 HB ILE A 31 0.469 7.186 -1.933 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.095 6.983 -0.683 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -1.952 5.615 -1.768 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.905 9.035 -1.093 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.425 9.278 -2.790 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.080 8.752 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -1.132 5.050 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.194 4.989 -0.718 1.00 0.00 H new ATOM 0 HD13 ILE A 31 0.049 6.379 0.384 1.00 0.00 H new ATOM 461 N TYR A 32 -2.145 8.091 -5.003 1.00 0.00 N ATOM 462 CA TYR A 32 -3.379 8.529 -5.638 1.00 0.00 C ATOM 463 C TYR A 32 -3.949 7.423 -6.526 1.00 0.00 C ATOM 464 O TYR A 32 -5.131 7.438 -6.867 1.00 0.00 O ATOM 465 CB TYR A 32 -3.131 9.791 -6.467 1.00 0.00 C ATOM 466 CG TYR A 32 -2.546 10.935 -5.671 1.00 0.00 C ATOM 467 CD1 TYR A 32 -2.949 11.173 -4.362 1.00 0.00 C ATOM 468 CD2 TYR A 32 -1.591 11.778 -6.227 1.00 0.00 C ATOM 469 CE1 TYR A 32 -2.416 12.217 -3.630 1.00 0.00 C ATOM 470 CE2 TYR A 32 -1.054 12.825 -5.500 1.00 0.00 C ATOM 471 CZ TYR A 32 -1.469 13.040 -4.205 1.00 0.00 C ATOM 472 OH TYR A 32 -0.937 14.081 -3.479 1.00 0.00 O ATOM 0 H TYR A 32 -1.329 8.659 -5.229 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.104 8.756 -4.857 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -2.456 9.549 -7.288 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -4.072 10.114 -6.912 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.691 10.531 -3.910 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.263 11.613 -7.243 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -2.739 12.388 -2.614 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.312 13.471 -5.946 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.284 14.563 -4.028 1.00 0.00 H new ATOM 482 N HIS A 33 -3.100 6.465 -6.899 1.00 0.00 N ATOM 483 CA HIS A 33 -3.527 5.351 -7.737 1.00 0.00 C ATOM 484 C HIS A 33 -4.124 4.238 -6.884 1.00 0.00 C ATOM 485 O HIS A 33 -5.005 3.503 -7.331 1.00 0.00 O ATOM 486 CB HIS A 33 -2.348 4.813 -8.548 1.00 0.00 C ATOM 487 CG HIS A 33 -2.261 5.384 -9.930 1.00 0.00 C ATOM 488 ND1 HIS A 33 -1.098 5.392 -10.670 1.00 0.00 N ATOM 489 CD2 HIS A 33 -3.203 5.971 -10.706 1.00 0.00 C ATOM 490 CE1 HIS A 33 -1.327 5.958 -11.842 1.00 0.00 C ATOM 491 NE2 HIS A 33 -2.596 6.318 -11.888 1.00 0.00 N ATOM 0 H HIS A 33 -2.115 6.440 -6.633 1.00 0.00 H new ATOM 0 HA HIS A 33 -4.292 5.713 -8.424 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.422 5.030 -8.015 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -2.430 3.728 -8.616 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -0.200 5.019 -10.361 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -4.238 6.135 -10.444 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -0.600 6.101 -12.628 1.00 0.00 H new ATOM 500 N LEU A 34 -3.639 4.120 -5.653 1.00 0.00 N ATOM 501 CA LEU A 34 -4.143 3.114 -4.727 1.00 0.00 C ATOM 502 C LEU A 34 -5.157 3.724 -3.766 1.00 0.00 C ATOM 503 O LEU A 34 -5.382 3.213 -2.671 1.00 0.00 O ATOM 504 CB LEU A 34 -2.993 2.491 -3.944 1.00 0.00 C ATOM 505 CG LEU A 34 -1.846 3.446 -3.612 1.00 0.00 C ATOM 506 CD1 LEU A 34 -1.152 3.017 -2.330 1.00 0.00 C ATOM 507 CD2 LEU A 34 -0.853 3.506 -4.763 1.00 0.00 C ATOM 0 H LEU A 34 -2.897 4.709 -5.274 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.639 2.336 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.386 2.082 -3.013 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.595 1.654 -4.517 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.259 4.444 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.338 3.707 -2.108 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.868 3.025 -1.508 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.751 2.011 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.043 4.190 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.445 2.512 -4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.359 3.859 -5.662 1.00 0.00 H new ATOM 519 N GLN A 35 -5.758 4.821 -4.193 1.00 0.00 N ATOM 520 CA GLN A 35 -6.742 5.534 -3.392 1.00 0.00 C ATOM 521 C GLN A 35 -8.015 4.728 -3.224 1.00 0.00 C ATOM 522 O GLN A 35 -8.671 4.776 -2.184 1.00 0.00 O ATOM 523 CB GLN A 35 -7.083 6.853 -4.079 1.00 0.00 C ATOM 524 CG GLN A 35 -6.150 7.985 -3.715 1.00 0.00 C ATOM 525 CD GLN A 35 -6.682 8.845 -2.586 1.00 0.00 C ATOM 526 OE1 GLN A 35 -7.074 9.992 -2.796 1.00 0.00 O ATOM 527 NE2 GLN A 35 -6.696 8.294 -1.378 1.00 0.00 N ATOM 0 H GLN A 35 -5.579 5.244 -5.104 1.00 0.00 H new ATOM 0 HA GLN A 35 -6.313 5.708 -2.405 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -7.059 6.707 -5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -8.103 7.136 -3.818 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -5.182 7.574 -3.427 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -5.983 8.609 -4.593 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -6.361 7.339 -1.249 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -7.041 8.826 -0.579 1.00 0.00 H new ATOM 536 N ASN A 36 -8.384 4.043 -4.287 1.00 0.00 N ATOM 537 CA ASN A 36 -9.617 3.271 -4.319 1.00 0.00 C ATOM 538 C ASN A 36 -9.342 1.776 -4.390 1.00 0.00 C ATOM 539 O ASN A 36 -10.211 0.957 -4.089 1.00 0.00 O ATOM 540 CB ASN A 36 -10.449 3.705 -5.520 1.00 0.00 C ATOM 541 CG ASN A 36 -9.606 3.923 -6.753 1.00 0.00 C ATOM 542 OD1 ASN A 36 -8.954 5.072 -6.799 1.00 0.00 O flip ATOM 543 ND2 ASN A 36 -9.539 3.074 -7.643 1.00 0.00 N flip ATOM 0 H ASN A 36 -7.843 4.003 -5.151 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.165 3.461 -3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.204 2.947 -5.729 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -10.979 4.626 -5.278 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.063 2.203 -7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.959 3.242 -8.465 1.00 0.00 H new ATOM 550 N LEU A 37 -8.126 1.428 -4.782 1.00 0.00 N ATOM 551 CA LEU A 37 -7.723 0.028 -4.904 1.00 0.00 C ATOM 552 C LEU A 37 -8.181 -0.789 -3.696 1.00 0.00 C ATOM 553 O LEU A 37 -8.274 -0.273 -2.583 1.00 0.00 O ATOM 554 CB LEU A 37 -6.204 -0.063 -5.045 1.00 0.00 C ATOM 555 CG LEU A 37 -5.705 -0.551 -6.406 1.00 0.00 C ATOM 556 CD1 LEU A 37 -4.285 -0.068 -6.656 1.00 0.00 C ATOM 557 CD2 LEU A 37 -5.778 -2.069 -6.489 1.00 0.00 C ATOM 0 H LEU A 37 -7.395 2.097 -5.023 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.199 -0.386 -5.793 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.777 0.921 -4.851 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.823 -0.733 -4.274 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.350 -0.135 -7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.945 -0.424 -7.629 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.263 1.022 -6.641 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.627 -0.455 -5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.419 -2.398 -7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.157 -2.506 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.811 -2.391 -6.355 1.00 0.00 H new ATOM 569 N THR A 38 -8.468 -2.067 -3.929 1.00 0.00 N ATOM 570 CA THR A 38 -8.917 -2.957 -2.865 1.00 0.00 C ATOM 571 C THR A 38 -8.294 -4.337 -3.006 1.00 0.00 C ATOM 572 O THR A 38 -7.648 -4.640 -4.008 1.00 0.00 O ATOM 573 CB THR A 38 -10.441 -3.096 -2.896 1.00 0.00 C ATOM 574 OG1 THR A 38 -11.004 -2.241 -3.876 1.00 0.00 O ATOM 575 CG2 THR A 38 -11.097 -2.775 -1.572 1.00 0.00 C ATOM 0 H THR A 38 -8.397 -2.508 -4.846 1.00 0.00 H new ATOM 0 HA THR A 38 -8.604 -2.520 -1.917 1.00 0.00 H new ATOM 0 HB THR A 38 -10.631 -4.143 -3.132 1.00 0.00 H new ATOM 0 HG1 THR A 38 -11.978 -2.346 -3.881 1.00 0.00 H new ATOM 0 HG21 THR A 38 -12.177 -2.893 -1.663 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.721 -3.453 -0.806 1.00 0.00 H new ATOM 0 HG23 THR A 38 -10.867 -1.747 -1.292 1.00 0.00 H new ATOM 583 N ILE A 39 -8.536 -5.186 -2.013 1.00 0.00 N ATOM 584 CA ILE A 39 -8.062 -6.557 -2.065 1.00 0.00 C ATOM 585 C ILE A 39 -8.603 -7.230 -3.313 1.00 0.00 C ATOM 586 O ILE A 39 -7.937 -8.059 -3.935 1.00 0.00 O ATOM 587 CB ILE A 39 -8.504 -7.353 -0.824 1.00 0.00 C ATOM 588 CG1 ILE A 39 -7.861 -8.742 -0.824 1.00 0.00 C ATOM 589 CG2 ILE A 39 -10.020 -7.468 -0.773 1.00 0.00 C ATOM 590 CD1 ILE A 39 -6.355 -8.713 -0.963 1.00 0.00 C ATOM 0 H ILE A 39 -9.055 -4.947 -1.168 1.00 0.00 H new ATOM 0 HA ILE A 39 -6.972 -6.539 -2.087 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.171 -6.817 0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -8.122 -9.254 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.282 -9.328 -1.641 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -10.312 -8.034 0.111 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.459 -6.471 -0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -10.376 -7.981 -1.666 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.969 -9.732 -0.955 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.086 -8.230 -1.902 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.924 -8.155 -0.132 1.00 0.00 H new ATOM 602 N GLU A 40 -9.813 -6.834 -3.685 1.00 0.00 N ATOM 603 CA GLU A 40 -10.462 -7.357 -4.876 1.00 0.00 C ATOM 604 C GLU A 40 -9.577 -7.144 -6.098 1.00 0.00 C ATOM 605 O GLU A 40 -9.392 -8.051 -6.910 1.00 0.00 O ATOM 606 CB GLU A 40 -11.814 -6.672 -5.087 1.00 0.00 C ATOM 607 CG GLU A 40 -12.757 -6.811 -3.904 1.00 0.00 C ATOM 608 CD GLU A 40 -14.043 -7.531 -4.262 1.00 0.00 C ATOM 609 OE1 GLU A 40 -14.835 -6.973 -5.049 1.00 0.00 O ATOM 610 OE2 GLU A 40 -14.257 -8.651 -3.755 1.00 0.00 O ATOM 0 H GLU A 40 -10.367 -6.147 -3.174 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.624 -8.426 -4.740 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.648 -5.613 -5.287 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.291 -7.092 -5.972 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -12.252 -7.353 -3.104 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.996 -5.821 -3.517 1.00 0.00 H new ATOM 617 N ASP A 41 -9.024 -5.941 -6.213 1.00 0.00 N ATOM 618 CA ASP A 41 -8.148 -5.604 -7.328 1.00 0.00 C ATOM 619 C ASP A 41 -6.717 -6.046 -7.045 1.00 0.00 C ATOM 620 O ASP A 41 -5.975 -6.401 -7.960 1.00 0.00 O ATOM 621 CB ASP A 41 -8.185 -4.099 -7.596 1.00 0.00 C ATOM 622 CG ASP A 41 -9.259 -3.716 -8.595 1.00 0.00 C ATOM 623 OD1 ASP A 41 -10.452 -3.947 -8.302 1.00 0.00 O ATOM 624 OD2 ASP A 41 -8.909 -3.188 -9.672 1.00 0.00 O ATOM 0 H ASP A 41 -9.168 -5.183 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 41 -8.506 -6.132 -8.212 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -8.359 -3.570 -6.659 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -7.213 -3.775 -7.969 1.00 0.00 H new ATOM 629 N LEU A 42 -6.335 -6.024 -5.771 1.00 0.00 N ATOM 630 CA LEU A 42 -4.994 -6.434 -5.372 1.00 0.00 C ATOM 631 C LEU A 42 -4.691 -7.835 -5.888 1.00 0.00 C ATOM 632 O LEU A 42 -3.619 -8.087 -6.438 1.00 0.00 O ATOM 633 CB LEU A 42 -4.852 -6.396 -3.843 1.00 0.00 C ATOM 634 CG LEU A 42 -5.013 -5.022 -3.157 1.00 0.00 C ATOM 635 CD1 LEU A 42 -3.938 -4.839 -2.099 1.00 0.00 C ATOM 636 CD2 LEU A 42 -4.969 -3.866 -4.154 1.00 0.00 C ATOM 0 H LEU A 42 -6.934 -5.727 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 42 -4.279 -5.736 -5.808 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.590 -7.075 -3.417 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.869 -6.791 -3.584 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.997 -5.007 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.060 -3.867 -1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.027 -5.626 -1.350 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -2.955 -4.893 -2.566 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.087 -2.922 -3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.012 -3.872 -4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -5.777 -3.978 -4.877 1.00 0.00 H new ATOM 648 N GLY A 43 -5.649 -8.742 -5.717 1.00 0.00 N ATOM 649 CA GLY A 43 -5.476 -10.102 -6.191 1.00 0.00 C ATOM 650 C GLY A 43 -5.440 -10.192 -7.707 1.00 0.00 C ATOM 651 O GLY A 43 -5.120 -11.243 -8.262 1.00 0.00 O ATOM 0 H GLY A 43 -6.541 -8.558 -5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -4.550 -10.510 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -6.290 -10.721 -5.813 1.00 0.00 H new ATOM 655 N ALA A 44 -5.776 -9.093 -8.379 1.00 0.00 N ATOM 656 CA ALA A 44 -5.759 -9.054 -9.837 1.00 0.00 C ATOM 657 C ALA A 44 -4.334 -8.885 -10.347 1.00 0.00 C ATOM 658 O ALA A 44 -3.988 -9.349 -11.433 1.00 0.00 O ATOM 659 CB ALA A 44 -6.648 -7.929 -10.348 1.00 0.00 C ATOM 0 H ALA A 44 -6.063 -8.220 -7.937 1.00 0.00 H new ATOM 0 HA ALA A 44 -6.149 -9.999 -10.215 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.625 -7.913 -11.438 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.671 -8.091 -10.009 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.286 -6.976 -9.963 1.00 0.00 H new ATOM 665 N LEU A 45 -3.502 -8.253 -9.526 1.00 0.00 N ATOM 666 CA LEU A 45 -2.106 -8.023 -9.856 1.00 0.00 C ATOM 667 C LEU A 45 -1.332 -9.330 -10.030 1.00 0.00 C ATOM 668 O LEU A 45 -0.209 -9.328 -10.534 1.00 0.00 O ATOM 669 CB LEU A 45 -1.471 -7.191 -8.750 1.00 0.00 C ATOM 670 CG LEU A 45 -1.823 -5.709 -8.792 1.00 0.00 C ATOM 671 CD1 LEU A 45 -3.332 -5.519 -8.770 1.00 0.00 C ATOM 672 CD2 LEU A 45 -1.174 -4.987 -7.627 1.00 0.00 C ATOM 0 H LEU A 45 -3.779 -7.887 -8.615 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.063 -7.494 -10.808 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.777 -7.597 -7.786 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.388 -7.296 -8.810 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.441 -5.283 -9.720 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.565 -4.455 -8.801 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.773 -6.012 -9.636 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.740 -5.954 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.432 -3.929 -7.666 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.532 -5.413 -6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.091 -5.099 -7.687 1.00 0.00 H new ATOM 684 N LYS A 46 -1.941 -10.447 -9.631 1.00 0.00 N ATOM 685 CA LYS A 46 -1.293 -11.758 -9.725 1.00 0.00 C ATOM 686 C LYS A 46 -0.271 -11.934 -8.611 1.00 0.00 C ATOM 687 O LYS A 46 0.629 -12.770 -8.702 1.00 0.00 O ATOM 688 CB LYS A 46 -0.618 -11.936 -11.087 1.00 0.00 C ATOM 689 CG LYS A 46 -1.363 -11.249 -12.215 1.00 0.00 C ATOM 690 CD LYS A 46 -1.257 -12.030 -13.515 1.00 0.00 C ATOM 691 CE LYS A 46 0.192 -12.203 -13.942 1.00 0.00 C ATOM 692 NZ LYS A 46 0.304 -12.876 -15.266 1.00 0.00 N ATOM 0 H LYS A 46 -2.882 -10.471 -9.239 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.064 -12.521 -9.617 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.397 -11.542 -11.037 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.536 -13.000 -11.309 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.412 -11.136 -11.943 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -0.961 -10.246 -12.359 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.721 -13.009 -13.392 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.809 -11.512 -14.299 1.00 0.00 H new ATOM 0 HE2 LYS A 46 0.676 -11.227 -13.989 1.00 0.00 H new ATOM 0 HE3 LYS A 46 0.724 -12.787 -13.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.307 -12.975 -15.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -0.135 -13.817 -15.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -0.182 -12.306 -15.987 1.00 0.00 H new ATOM 706 N ILE A 47 -0.420 -11.140 -7.560 1.00 0.00 N ATOM 707 CA ILE A 47 0.478 -11.206 -6.415 1.00 0.00 C ATOM 708 C ILE A 47 0.063 -12.333 -5.468 1.00 0.00 C ATOM 709 O ILE A 47 -1.112 -12.457 -5.122 1.00 0.00 O ATOM 710 CB ILE A 47 0.501 -9.877 -5.633 1.00 0.00 C ATOM 711 CG1 ILE A 47 0.449 -8.686 -6.592 1.00 0.00 C ATOM 712 CG2 ILE A 47 1.740 -9.796 -4.759 1.00 0.00 C ATOM 713 CD1 ILE A 47 1.658 -8.580 -7.494 1.00 0.00 C ATOM 0 H ILE A 47 -1.157 -10.440 -7.476 1.00 0.00 H new ATOM 0 HA ILE A 47 1.477 -11.401 -6.804 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.380 -9.843 -4.992 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.447 -8.765 -7.208 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.357 -7.768 -6.012 1.00 0.00 H new ATOM 0 HG21 ILE A 47 1.740 -8.852 -4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.740 -10.624 -4.050 1.00 0.00 H new ATOM 0 HG23 ILE A 47 2.631 -9.854 -5.384 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.551 -7.713 -8.146 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.556 -8.469 -6.887 1.00 0.00 H new ATOM 0 HD13 ILE A 47 1.740 -9.482 -8.101 1.00 0.00 H new ATOM 725 N PRO A 48 1.019 -13.178 -5.042 1.00 0.00 N ATOM 726 CA PRO A 48 0.740 -14.297 -4.137 1.00 0.00 C ATOM 727 C PRO A 48 -0.065 -13.869 -2.915 1.00 0.00 C ATOM 728 O PRO A 48 -0.346 -12.686 -2.728 1.00 0.00 O ATOM 729 CB PRO A 48 2.136 -14.789 -3.715 1.00 0.00 C ATOM 730 CG PRO A 48 3.097 -13.761 -4.216 1.00 0.00 C ATOM 731 CD PRO A 48 2.440 -13.113 -5.397 1.00 0.00 C ATOM 0 HA PRO A 48 0.137 -15.064 -4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 48 2.203 -14.893 -2.632 1.00 0.00 H new ATOM 0 HB3 PRO A 48 2.352 -15.768 -4.143 1.00 0.00 H new ATOM 0 HG2 PRO A 48 3.319 -13.026 -3.442 1.00 0.00 H new ATOM 0 HG3 PRO A 48 4.044 -14.220 -4.501 1.00 0.00 H new ATOM 0 HD2 PRO A 48 2.777 -12.086 -5.537 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.652 -13.647 -6.323 1.00 0.00 H new ATOM 739 N GLU A 49 -0.426 -14.841 -2.081 1.00 0.00 N ATOM 740 CA GLU A 49 -1.200 -14.566 -0.874 1.00 0.00 C ATOM 741 C GLU A 49 -0.281 -14.321 0.320 1.00 0.00 C ATOM 742 O GLU A 49 -0.552 -14.784 1.427 1.00 0.00 O ATOM 743 CB GLU A 49 -2.142 -15.733 -0.569 1.00 0.00 C ATOM 744 CG GLU A 49 -3.506 -15.606 -1.226 1.00 0.00 C ATOM 745 CD GLU A 49 -4.044 -16.937 -1.713 1.00 0.00 C ATOM 746 OE1 GLU A 49 -3.439 -17.522 -2.635 1.00 0.00 O ATOM 747 OE2 GLU A 49 -5.072 -17.395 -1.169 1.00 0.00 O ATOM 0 H GLU A 49 -0.195 -15.825 -2.219 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.789 -13.666 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.675 -16.661 -0.899 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -2.274 -15.809 0.510 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -4.209 -15.172 -0.515 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.437 -14.916 -2.067 1.00 0.00 H new ATOM 754 N GLN A 50 0.808 -13.595 0.088 1.00 0.00 N ATOM 755 CA GLN A 50 1.762 -13.293 1.146 1.00 0.00 C ATOM 756 C GLN A 50 1.295 -12.100 1.972 1.00 0.00 C ATOM 757 O GLN A 50 1.226 -12.170 3.199 1.00 0.00 O ATOM 758 CB GLN A 50 3.143 -13.006 0.552 1.00 0.00 C ATOM 759 CG GLN A 50 3.483 -13.881 -0.643 1.00 0.00 C ATOM 760 CD GLN A 50 4.817 -14.580 -0.494 1.00 0.00 C ATOM 761 OE1 GLN A 50 5.758 -14.037 0.085 1.00 0.00 O ATOM 762 NE2 GLN A 50 4.904 -15.796 -1.018 1.00 0.00 N ATOM 0 H GLN A 50 1.051 -13.206 -0.823 1.00 0.00 H new ATOM 0 HA GLN A 50 1.829 -14.163 1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 50 3.190 -11.959 0.251 1.00 0.00 H new ATOM 0 HB3 GLN A 50 3.899 -13.150 1.324 1.00 0.00 H new ATOM 0 HG2 GLN A 50 2.699 -14.627 -0.777 1.00 0.00 H new ATOM 0 HG3 GLN A 50 3.497 -13.268 -1.544 1.00 0.00 H new ATOM 0 HE21 GLN A 50 4.098 -16.207 -1.489 1.00 0.00 H new ATOM 0 HE22 GLN A 50 5.777 -16.320 -0.950 1.00 0.00 H new ATOM 771 N TYR A 51 0.973 -11.004 1.292 1.00 0.00 N ATOM 772 CA TYR A 51 0.517 -9.795 1.964 1.00 0.00 C ATOM 773 C TYR A 51 -0.616 -9.126 1.192 1.00 0.00 C ATOM 774 O TYR A 51 -0.823 -7.918 1.299 1.00 0.00 O ATOM 775 CB TYR A 51 1.680 -8.816 2.137 1.00 0.00 C ATOM 776 CG TYR A 51 2.963 -9.474 2.590 1.00 0.00 C ATOM 777 CD1 TYR A 51 3.113 -9.925 3.895 1.00 0.00 C ATOM 778 CD2 TYR A 51 4.026 -9.646 1.711 1.00 0.00 C ATOM 779 CE1 TYR A 51 4.283 -10.528 4.313 1.00 0.00 C ATOM 780 CE2 TYR A 51 5.200 -10.249 2.121 1.00 0.00 C ATOM 781 CZ TYR A 51 5.323 -10.688 3.422 1.00 0.00 C ATOM 782 OH TYR A 51 6.492 -11.287 3.835 1.00 0.00 O ATOM 0 H TYR A 51 1.020 -10.930 0.276 1.00 0.00 H new ATOM 0 HA TYR A 51 0.137 -10.080 2.945 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.858 -8.305 1.191 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.397 -8.053 2.862 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.300 -9.802 4.595 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.933 -9.303 0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.383 -10.872 5.332 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.017 -10.376 1.426 1.00 0.00 H new ATOM 0 HH TYR A 51 7.123 -11.324 3.086 1.00 0.00 H new ATOM 792 N ARG A 52 -1.350 -9.917 0.414 1.00 0.00 N ATOM 793 CA ARG A 52 -2.468 -9.397 -0.363 1.00 0.00 C ATOM 794 C ARG A 52 -3.417 -8.600 0.526 1.00 0.00 C ATOM 795 O ARG A 52 -3.671 -7.420 0.281 1.00 0.00 O ATOM 796 CB ARG A 52 -3.226 -10.548 -1.029 1.00 0.00 C ATOM 797 CG ARG A 52 -3.621 -10.273 -2.472 1.00 0.00 C ATOM 798 CD ARG A 52 -4.421 -11.427 -3.051 1.00 0.00 C ATOM 799 NE ARG A 52 -3.790 -11.989 -4.241 1.00 0.00 N ATOM 800 CZ ARG A 52 -4.119 -13.167 -4.762 1.00 0.00 C ATOM 801 NH1 ARG A 52 -5.070 -13.901 -4.197 1.00 0.00 N ATOM 802 NH2 ARG A 52 -3.500 -13.613 -5.845 1.00 0.00 N ATOM 0 H ARG A 52 -1.190 -10.919 0.306 1.00 0.00 H new ATOM 0 HA ARG A 52 -2.072 -8.734 -1.133 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -2.607 -11.445 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.125 -10.761 -0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.210 -9.357 -2.523 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -2.726 -10.110 -3.072 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.530 -12.206 -2.297 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.424 -11.083 -3.301 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.056 -11.448 -4.698 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -5.549 -13.561 -3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.322 -14.805 -4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -2.768 -13.052 -6.282 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.755 -14.517 -6.242 1.00 0.00 H new ATOM 816 N MET A 53 -3.932 -9.253 1.563 1.00 0.00 N ATOM 817 CA MET A 53 -4.850 -8.609 2.494 1.00 0.00 C ATOM 818 C MET A 53 -4.191 -7.409 3.166 1.00 0.00 C ATOM 819 O MET A 53 -4.770 -6.324 3.224 1.00 0.00 O ATOM 820 CB MET A 53 -5.316 -9.609 3.553 1.00 0.00 C ATOM 821 CG MET A 53 -5.964 -10.853 2.969 1.00 0.00 C ATOM 822 SD MET A 53 -7.744 -10.671 2.747 1.00 0.00 S ATOM 823 CE MET A 53 -8.300 -10.698 4.450 1.00 0.00 C ATOM 0 H MET A 53 -3.728 -10.229 1.779 1.00 0.00 H new ATOM 0 HA MET A 53 -5.714 -8.257 1.930 1.00 0.00 H new ATOM 0 HB2 MET A 53 -4.462 -9.906 4.162 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.026 -9.117 4.218 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.503 -11.080 2.008 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.769 -11.701 3.625 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.346 -11.003 4.486 1.00 0.00 H new ATOM 0 HE2 MET A 53 -7.696 -11.405 5.019 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.197 -9.703 4.882 1.00 0.00 H new ATOM 833 N THR A 54 -2.975 -7.608 3.669 1.00 0.00 N ATOM 834 CA THR A 54 -2.238 -6.533 4.325 1.00 0.00 C ATOM 835 C THR A 54 -2.215 -5.285 3.450 1.00 0.00 C ATOM 836 O THR A 54 -2.500 -4.182 3.916 1.00 0.00 O ATOM 837 CB THR A 54 -0.807 -6.978 4.635 1.00 0.00 C ATOM 838 OG1 THR A 54 -0.803 -8.020 5.596 1.00 0.00 O ATOM 839 CG2 THR A 54 0.071 -5.861 5.163 1.00 0.00 C ATOM 0 H THR A 54 -2.482 -8.500 3.635 1.00 0.00 H new ATOM 0 HA THR A 54 -2.745 -6.295 5.260 1.00 0.00 H new ATOM 0 HB THR A 54 -0.399 -7.316 3.683 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.120 -8.292 5.780 1.00 0.00 H new ATOM 0 HG21 THR A 54 1.071 -6.247 5.361 1.00 0.00 H new ATOM 0 HG22 THR A 54 0.130 -5.064 4.422 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.356 -5.468 6.086 1.00 0.00 H new ATOM 847 N ILE A 55 -1.880 -5.471 2.179 1.00 0.00 N ATOM 848 CA ILE A 55 -1.828 -4.363 1.238 1.00 0.00 C ATOM 849 C ILE A 55 -3.161 -3.620 1.203 1.00 0.00 C ATOM 850 O ILE A 55 -3.217 -2.417 1.461 1.00 0.00 O ATOM 851 CB ILE A 55 -1.469 -4.842 -0.180 1.00 0.00 C ATOM 852 CG1 ILE A 55 -0.132 -5.585 -0.166 1.00 0.00 C ATOM 853 CG2 ILE A 55 -1.414 -3.664 -1.140 1.00 0.00 C ATOM 854 CD1 ILE A 55 -0.082 -6.758 -1.120 1.00 0.00 C ATOM 0 H ILE A 55 -1.641 -6.378 1.778 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.047 -3.685 1.582 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.243 -5.529 -0.522 1.00 0.00 H new ATOM 0 HG12 ILE A 55 0.665 -4.886 -0.420 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.066 -5.941 0.845 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.159 -4.020 -2.138 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.386 -3.171 -1.168 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -0.658 -2.955 -0.803 1.00 0.00 H new ATOM 0 HD11 ILE A 55 0.895 -7.237 -1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -0.857 -7.477 -0.854 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -0.248 -6.406 -2.138 1.00 0.00 H new ATOM 866 N TRP A 56 -4.237 -4.345 0.904 1.00 0.00 N ATOM 867 CA TRP A 56 -5.568 -3.754 0.863 1.00 0.00 C ATOM 868 C TRP A 56 -5.851 -2.984 2.154 1.00 0.00 C ATOM 869 O TRP A 56 -6.219 -1.811 2.121 1.00 0.00 O ATOM 870 CB TRP A 56 -6.615 -4.855 0.638 1.00 0.00 C ATOM 871 CG TRP A 56 -8.019 -4.461 0.987 1.00 0.00 C ATOM 872 CD1 TRP A 56 -8.652 -3.296 0.663 1.00 0.00 C ATOM 873 CD2 TRP A 56 -8.958 -5.234 1.737 1.00 0.00 C ATOM 874 NE1 TRP A 56 -9.933 -3.303 1.165 1.00 0.00 N ATOM 875 CE2 TRP A 56 -10.141 -4.481 1.824 1.00 0.00 C ATOM 876 CE3 TRP A 56 -8.912 -6.492 2.341 1.00 0.00 C ATOM 877 CZ2 TRP A 56 -11.268 -4.939 2.493 1.00 0.00 C ATOM 878 CZ3 TRP A 56 -10.036 -6.952 3.003 1.00 0.00 C ATOM 879 CH2 TRP A 56 -11.200 -6.176 3.076 1.00 0.00 C ATOM 0 H TRP A 56 -4.211 -5.341 0.687 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.622 -3.047 0.035 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -6.586 -5.158 -0.409 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.339 -5.728 1.230 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.212 -2.488 0.097 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -10.615 -2.552 1.062 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -8.017 -7.094 2.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -12.166 -4.341 2.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -10.016 -7.925 3.471 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -12.061 -6.561 3.603 1.00 0.00 H new ATOM 890 N ARG A 57 -5.660 -3.652 3.289 1.00 0.00 N ATOM 891 CA ARG A 57 -5.888 -3.035 4.595 1.00 0.00 C ATOM 892 C ARG A 57 -5.241 -1.657 4.669 1.00 0.00 C ATOM 893 O ARG A 57 -5.917 -0.650 4.882 1.00 0.00 O ATOM 894 CB ARG A 57 -5.335 -3.927 5.707 1.00 0.00 C ATOM 895 CG ARG A 57 -5.955 -5.312 5.738 1.00 0.00 C ATOM 896 CD ARG A 57 -6.938 -5.456 6.889 1.00 0.00 C ATOM 897 NE ARG A 57 -7.681 -6.711 6.822 1.00 0.00 N ATOM 898 CZ ARG A 57 -8.575 -7.084 7.731 1.00 0.00 C ATOM 899 NH1 ARG A 57 -8.835 -6.303 8.769 1.00 0.00 N ATOM 900 NH2 ARG A 57 -9.212 -8.241 7.602 1.00 0.00 N ATOM 0 H ARG A 57 -5.347 -4.622 3.332 1.00 0.00 H new ATOM 0 HA ARG A 57 -6.964 -2.919 4.729 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.256 -4.023 5.582 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -5.502 -3.441 6.668 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.467 -5.504 4.795 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -5.169 -6.062 5.833 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.398 -5.405 7.835 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.637 -4.620 6.875 1.00 0.00 H new ATOM 0 HE ARG A 57 -7.504 -7.335 6.035 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -8.348 -5.413 8.872 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.522 -6.592 9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.015 -8.845 6.804 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -9.898 -8.526 8.301 1.00 0.00 H new ATOM 914 N GLY A 58 -3.929 -1.621 4.484 1.00 0.00 N ATOM 915 CA GLY A 58 -3.210 -0.364 4.507 1.00 0.00 C ATOM 916 C GLY A 58 -3.835 0.655 3.580 1.00 0.00 C ATOM 917 O GLY A 58 -3.849 1.850 3.873 1.00 0.00 O ATOM 0 H GLY A 58 -3.348 -2.443 4.318 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.196 0.029 5.524 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.173 -0.533 4.217 1.00 0.00 H new ATOM 921 N LEU A 59 -4.375 0.169 2.468 1.00 0.00 N ATOM 922 CA LEU A 59 -5.044 1.033 1.508 1.00 0.00 C ATOM 923 C LEU A 59 -6.350 1.551 2.092 1.00 0.00 C ATOM 924 O LEU A 59 -6.782 2.665 1.791 1.00 0.00 O ATOM 925 CB LEU A 59 -5.308 0.278 0.206 1.00 0.00 C ATOM 926 CG LEU A 59 -4.449 0.721 -0.978 1.00 0.00 C ATOM 927 CD1 LEU A 59 -2.974 0.679 -0.612 1.00 0.00 C ATOM 928 CD2 LEU A 59 -4.728 -0.149 -2.193 1.00 0.00 C ATOM 0 H LEU A 59 -4.362 -0.818 2.211 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.396 1.882 1.290 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.142 -0.785 0.379 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.358 0.398 -0.060 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.709 1.750 -1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.378 0.998 -1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.789 1.347 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -2.697 -0.338 -0.335 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.108 0.181 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.497 -1.188 -1.957 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.779 -0.064 -2.467 1.00 0.00 H new ATOM 940 N GLN A 60 -6.969 0.739 2.944 1.00 0.00 N ATOM 941 CA GLN A 60 -8.205 1.134 3.608 1.00 0.00 C ATOM 942 C GLN A 60 -7.926 2.254 4.601 1.00 0.00 C ATOM 943 O GLN A 60 -8.784 3.097 4.866 1.00 0.00 O ATOM 944 CB GLN A 60 -8.832 -0.061 4.331 1.00 0.00 C ATOM 945 CG GLN A 60 -9.328 -1.150 3.393 1.00 0.00 C ATOM 946 CD GLN A 60 -10.145 -2.208 4.109 1.00 0.00 C ATOM 947 OE1 GLN A 60 -9.557 -3.381 4.302 1.00 0.00 O flip ATOM 948 NE2 GLN A 60 -11.293 -1.970 4.487 1.00 0.00 N flip ATOM 0 H GLN A 60 -6.636 -0.193 3.190 1.00 0.00 H new ATOM 0 HA GLN A 60 -8.906 1.490 2.853 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -8.097 -0.488 5.013 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -9.666 0.290 4.939 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -9.933 -0.699 2.607 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -8.474 -1.622 2.907 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -11.706 -1.053 4.317 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -11.831 -2.690 4.970 1.00 0.00 H new ATOM 957 N ASP A 61 -6.707 2.264 5.132 1.00 0.00 N ATOM 958 CA ASP A 61 -6.288 3.290 6.075 1.00 0.00 C ATOM 959 C ASP A 61 -6.358 4.668 5.426 1.00 0.00 C ATOM 960 O ASP A 61 -6.608 5.671 6.094 1.00 0.00 O ATOM 961 CB ASP A 61 -4.865 3.006 6.562 1.00 0.00 C ATOM 962 CG ASP A 61 -4.719 3.187 8.060 1.00 0.00 C ATOM 963 OD1 ASP A 61 -5.204 2.316 8.812 1.00 0.00 O ATOM 964 OD2 ASP A 61 -4.123 4.200 8.481 1.00 0.00 O ATOM 0 H ASP A 61 -5.991 1.569 4.923 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.963 3.275 6.931 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.589 1.986 6.294 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.169 3.670 6.049 1.00 0.00 H new ATOM 969 N LEU A 62 -6.147 4.703 4.114 1.00 0.00 N ATOM 970 CA LEU A 62 -6.203 5.949 3.360 1.00 0.00 C ATOM 971 C LEU A 62 -7.647 6.385 3.152 1.00 0.00 C ATOM 972 O LEU A 62 -7.993 7.549 3.355 1.00 0.00 O ATOM 973 CB LEU A 62 -5.512 5.778 2.006 1.00 0.00 C ATOM 974 CG LEU A 62 -4.102 5.189 2.068 1.00 0.00 C ATOM 975 CD1 LEU A 62 -3.750 4.515 0.751 1.00 0.00 C ATOM 976 CD2 LEU A 62 -3.089 6.271 2.405 1.00 0.00 C ATOM 0 H LEU A 62 -5.935 3.880 3.550 1.00 0.00 H new ATOM 0 HA LEU A 62 -5.684 6.719 3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -6.130 5.136 1.378 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -5.462 6.750 1.516 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.074 4.437 2.856 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.743 4.101 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.461 3.713 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.793 5.247 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.091 5.835 2.445 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.116 7.046 1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -3.333 6.709 3.373 1.00 0.00 H new ATOM 988 N LYS A 63 -8.487 5.439 2.750 1.00 0.00 N ATOM 989 CA LYS A 63 -9.899 5.714 2.515 1.00 0.00 C ATOM 990 C LYS A 63 -10.520 6.422 3.715 1.00 0.00 C ATOM 991 O LYS A 63 -11.242 7.407 3.562 1.00 0.00 O ATOM 992 CB LYS A 63 -10.649 4.411 2.231 1.00 0.00 C ATOM 993 CG LYS A 63 -11.222 4.331 0.825 1.00 0.00 C ATOM 994 CD LYS A 63 -12.420 5.252 0.659 1.00 0.00 C ATOM 995 CE LYS A 63 -12.085 6.454 -0.209 1.00 0.00 C ATOM 996 NZ LYS A 63 -13.296 7.025 -0.861 1.00 0.00 N ATOM 0 H LYS A 63 -8.213 4.471 2.579 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.980 6.369 1.648 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -9.972 3.571 2.387 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -11.460 4.304 2.951 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -10.452 4.599 0.101 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.518 3.304 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -13.246 4.699 0.212 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.757 5.592 1.638 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.606 7.220 0.401 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -11.366 6.160 -0.974 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -13.024 7.842 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -13.739 6.302 -1.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -13.972 7.329 -0.132 1.00 0.00 H new ATOM 1010 N GLN A 64 -10.232 5.913 4.909 1.00 0.00 N ATOM 1011 CA GLN A 64 -10.762 6.496 6.136 1.00 0.00 C ATOM 1012 C GLN A 64 -10.375 7.966 6.252 1.00 0.00 C ATOM 1013 O GLN A 64 -11.185 8.855 5.988 1.00 0.00 O ATOM 1014 CB GLN A 64 -10.247 5.724 7.352 1.00 0.00 C ATOM 1015 CG GLN A 64 -11.314 4.884 8.036 1.00 0.00 C ATOM 1016 CD GLN A 64 -10.756 4.046 9.169 1.00 0.00 C ATOM 1017 OE1 GLN A 64 -9.543 3.972 9.363 1.00 0.00 O ATOM 1018 NE2 GLN A 64 -11.641 3.408 9.925 1.00 0.00 N ATOM 0 H GLN A 64 -9.635 5.099 5.052 1.00 0.00 H new ATOM 0 HA GLN A 64 -11.849 6.428 6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -9.430 5.074 7.040 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -9.835 6.430 8.073 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.094 5.539 8.423 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -11.783 4.229 7.301 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -12.638 3.497 9.729 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -11.324 2.828 10.702 1.00 0.00 H new ATOM 1027 N GLY A 65 -9.132 8.216 6.653 1.00 0.00 N ATOM 1028 CA GLY A 65 -8.661 9.581 6.799 1.00 0.00 C ATOM 1029 C GLY A 65 -7.167 9.706 6.568 1.00 0.00 C ATOM 1030 O GLY A 65 -6.524 8.769 6.096 1.00 0.00 O ATOM 0 H GLY A 65 -8.443 7.498 6.879 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -9.190 10.222 6.094 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.902 9.941 7.799 1.00 0.00 H new ATOM 1034 N HIS A 66 -6.614 10.868 6.901 1.00 0.00 N ATOM 1035 CA HIS A 66 -5.189 11.115 6.724 1.00 0.00 C ATOM 1036 C HIS A 66 -4.491 11.268 8.071 1.00 0.00 C ATOM 1037 O HIS A 66 -4.925 12.043 8.923 1.00 0.00 O ATOM 1038 CB HIS A 66 -4.970 12.372 5.880 1.00 0.00 C ATOM 1039 CG HIS A 66 -3.781 12.288 4.975 1.00 0.00 C ATOM 1040 ND1 HIS A 66 -3.733 12.892 3.736 1.00 0.00 N ATOM 1041 CD2 HIS A 66 -2.588 11.665 5.135 1.00 0.00 C ATOM 1042 CE1 HIS A 66 -2.563 12.644 3.173 1.00 0.00 C ATOM 1043 NE2 HIS A 66 -1.852 11.903 4.001 1.00 0.00 N ATOM 0 H HIS A 66 -7.132 11.653 7.295 1.00 0.00 H new ATOM 0 HA HIS A 66 -4.759 10.257 6.207 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -5.861 12.556 5.279 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -4.851 13.229 6.544 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.275 11.089 5.994 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -2.244 12.989 2.201 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -0.907 11.562 3.827 1.00 0.00 H new ATOM 1052 N ASP A 67 -3.405 10.524 8.257 1.00 0.00 N ATOM 1053 CA ASP A 67 -2.645 10.573 9.488 1.00 0.00 C ATOM 1054 C ASP A 67 -1.152 10.533 9.185 1.00 0.00 C ATOM 1055 O ASP A 67 -0.725 10.813 8.065 1.00 0.00 O ATOM 1056 CB ASP A 67 -3.045 9.404 10.395 1.00 0.00 C ATOM 1057 CG ASP A 67 -2.543 8.068 9.883 1.00 0.00 C ATOM 1058 OD1 ASP A 67 -2.866 7.717 8.729 1.00 0.00 O ATOM 1059 OD2 ASP A 67 -1.830 7.373 10.636 1.00 0.00 O ATOM 0 H ASP A 67 -3.034 9.877 7.561 1.00 0.00 H new ATOM 0 HA ASP A 67 -2.865 11.506 10.007 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.651 9.576 11.397 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -4.131 9.371 10.480 1.00 0.00 H new ATOM 1064 N TYR A 68 -0.374 10.188 10.191 1.00 0.00 N ATOM 1065 CA TYR A 68 1.074 10.104 10.051 1.00 0.00 C ATOM 1066 C TYR A 68 1.532 8.651 9.981 1.00 0.00 C ATOM 1067 O TYR A 68 2.192 8.286 8.985 1.00 0.00 O ATOM 1068 CB TYR A 68 1.762 10.811 11.220 1.00 0.00 C ATOM 1069 CG TYR A 68 2.219 12.215 10.895 1.00 0.00 C ATOM 1070 CD1 TYR A 68 1.371 13.301 11.072 1.00 0.00 C ATOM 1071 CD2 TYR A 68 3.500 12.455 10.414 1.00 0.00 C ATOM 1072 CE1 TYR A 68 1.785 14.586 10.777 1.00 0.00 C ATOM 1073 CE2 TYR A 68 3.922 13.736 10.117 1.00 0.00 C ATOM 1074 CZ TYR A 68 3.061 14.798 10.300 1.00 0.00 C ATOM 1075 OH TYR A 68 3.477 16.076 10.005 1.00 0.00 O ATOM 1076 OXT TYR A 68 1.228 7.890 10.923 1.00 0.00 O ATOM 0 H TYR A 68 -0.719 9.959 11.123 1.00 0.00 H new ATOM 0 HA TYR A 68 1.352 10.599 9.120 1.00 0.00 H new ATOM 0 HB2 TYR A 68 1.075 10.848 12.066 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.623 10.221 11.534 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.371 13.138 11.447 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.177 11.626 10.270 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.113 15.419 10.919 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.921 13.905 9.743 1.00 0.00 H new ATOM 0 HH TYR A 68 4.402 16.052 9.681 1.00 0.00 H new TER 1086 TYR A 68