USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 516 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 11 SER OG : rot 72:sc= 0.155 USER MOD Set 1.2: A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 62:sc= 1.22 USER MOD Single : A 5 HIS :FLIP no HD1:sc= -0.158 F(o=-0.91,f=-0.16) USER MOD Single : A 9 THR OG1 : rot -77:sc= 0.866 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 3:sc= 0.156 USER MOD Single : A 24 GLN : amide:sc= 0.607 K(o=0.61,f=-0.24) USER MOD Single : A 26 THR OG1 : rot -37:sc= 1.24 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot -137:sc= 0.0231 USER MOD Single : A 42 HIS : no HE2:sc= 0.57 K(o=0.57,f=-2.9!) USER MOD Single : A 43 THR OG1 : rot 107:sc= 0.853 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 HIS :FLIP no HD1:sc= -0.699 F(o=-2.7,f=-0.7) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 8 N SER A 2 -3.696 -12.986 0.286 1.00 0.00 N ATOM 9 CA SER A 2 -2.318 -12.565 0.040 1.00 0.00 C ATOM 10 C SER A 2 -2.106 -11.064 0.168 1.00 0.00 C ATOM 11 O SER A 2 -1.157 -10.582 0.793 1.00 0.00 O ATOM 12 CB SER A 2 -1.932 -12.986 -1.388 1.00 0.00 C ATOM 13 OG SER A 2 -3.020 -13.477 -2.159 1.00 0.00 O ATOM 0 HA SER A 2 -1.698 -13.042 0.799 1.00 0.00 H new ATOM 0 HB2 SER A 2 -1.492 -12.131 -1.902 1.00 0.00 H new ATOM 0 HB3 SER A 2 -1.162 -13.756 -1.333 1.00 0.00 H new ATOM 0 HG SER A 2 -3.689 -12.769 -2.269 1.00 0.00 H new ATOM 19 N GLU A 3 -2.974 -10.352 -0.530 1.00 0.00 N ATOM 20 CA GLU A 3 -3.003 -8.897 -0.590 1.00 0.00 C ATOM 21 C GLU A 3 -3.368 -8.337 0.785 1.00 0.00 C ATOM 22 O GLU A 3 -2.670 -7.480 1.318 1.00 0.00 O ATOM 23 CB GLU A 3 -3.959 -8.369 -1.679 1.00 0.00 C ATOM 24 CG GLU A 3 -3.896 -9.005 -3.073 1.00 0.00 C ATOM 25 CD GLU A 3 -4.708 -10.298 -3.126 1.00 0.00 C ATOM 26 OE1 GLU A 3 -5.957 -10.250 -3.030 1.00 0.00 O ATOM 27 OE2 GLU A 3 -4.088 -11.386 -3.144 1.00 0.00 O ATOM 0 H GLU A 3 -3.706 -10.786 -1.092 1.00 0.00 H new ATOM 0 HA GLU A 3 -2.007 -8.552 -0.868 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.978 -8.480 -1.309 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -3.776 -7.301 -1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -4.277 -8.302 -3.814 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -2.858 -9.213 -3.335 1.00 0.00 H new ATOM 34 N GLU A 4 -4.428 -8.853 1.398 1.00 0.00 N ATOM 35 CA GLU A 4 -4.924 -8.395 2.702 1.00 0.00 C ATOM 36 C GLU A 4 -3.828 -8.586 3.756 1.00 0.00 C ATOM 37 O GLU A 4 -3.539 -7.716 4.574 1.00 0.00 O ATOM 38 CB GLU A 4 -6.179 -9.203 3.079 1.00 0.00 C ATOM 39 CG GLU A 4 -7.297 -9.097 2.033 1.00 0.00 C ATOM 40 CD GLU A 4 -8.154 -10.359 1.985 1.00 0.00 C ATOM 41 OE1 GLU A 4 -8.801 -10.717 2.993 1.00 0.00 O ATOM 42 OE2 GLU A 4 -8.050 -11.100 0.979 1.00 0.00 O ATOM 0 H GLU A 4 -4.979 -9.614 1.001 1.00 0.00 H new ATOM 0 HA GLU A 4 -5.185 -7.338 2.653 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -5.906 -10.251 3.206 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -6.554 -8.853 4.041 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -7.928 -8.238 2.262 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -6.859 -8.918 1.051 1.00 0.00 H new ATOM 49 N HIS A 5 -3.147 -9.724 3.672 1.00 0.00 N ATOM 50 CA HIS A 5 -2.028 -10.093 4.515 1.00 0.00 C ATOM 51 C HIS A 5 -0.862 -9.129 4.294 1.00 0.00 C ATOM 52 O HIS A 5 -0.109 -8.874 5.232 1.00 0.00 O ATOM 53 CB HIS A 5 -1.666 -11.550 4.193 1.00 0.00 C ATOM 54 CG HIS A 5 -0.510 -12.136 4.984 1.00 0.00 C ATOM 55 ND1 HIS A 5 0.787 -11.692 5.001 1.00 0.00 N flip ATOM 56 CD2 HIS A 5 -0.552 -13.257 5.787 1.00 0.00 C flip ATOM 57 CE1 HIS A 5 1.524 -12.526 5.845 1.00 0.00 C flip ATOM 58 NE2 HIS A 5 0.677 -13.471 6.281 1.00 0.00 N flip ATOM 0 H HIS A 5 -3.374 -10.441 2.983 1.00 0.00 H new ATOM 0 HA HIS A 5 -2.283 -10.021 5.572 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -2.547 -12.169 4.362 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -1.427 -11.619 3.132 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -1.426 -13.860 5.985 1.00 0.00 H new ATOM 0 HE1 HIS A 5 2.570 -12.429 6.097 1.00 0.00 H new ATOM 0 HE2 HIS A 5 0.931 -14.241 6.899 1.00 0.00 H new ATOM 66 N PHE A 6 -0.678 -8.578 3.090 1.00 0.00 N ATOM 67 CA PHE A 6 0.364 -7.591 2.845 1.00 0.00 C ATOM 68 C PHE A 6 0.074 -6.299 3.604 1.00 0.00 C ATOM 69 O PHE A 6 0.976 -5.762 4.245 1.00 0.00 O ATOM 70 CB PHE A 6 0.551 -7.319 1.357 1.00 0.00 C ATOM 71 CG PHE A 6 1.758 -6.443 1.095 1.00 0.00 C ATOM 72 CD1 PHE A 6 3.055 -6.951 1.280 1.00 0.00 C ATOM 73 CD2 PHE A 6 1.582 -5.090 0.768 1.00 0.00 C ATOM 74 CE1 PHE A 6 4.173 -6.114 1.107 1.00 0.00 C ATOM 75 CE2 PHE A 6 2.700 -4.251 0.596 1.00 0.00 C ATOM 76 CZ PHE A 6 4.000 -4.761 0.750 1.00 0.00 C ATOM 0 H PHE A 6 -1.242 -8.804 2.271 1.00 0.00 H new ATOM 0 HA PHE A 6 1.301 -8.006 3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 6 0.665 -8.264 0.826 1.00 0.00 H new ATOM 0 HB3 PHE A 6 -0.342 -6.836 0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 6 3.194 -7.986 1.556 1.00 0.00 H new ATOM 0 HD2 PHE A 6 0.586 -4.691 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 6 5.168 -6.510 1.248 1.00 0.00 H new ATOM 0 HE2 PHE A 6 2.557 -3.210 0.344 1.00 0.00 H new ATOM 0 HZ PHE A 6 4.858 -4.123 0.597 1.00 0.00 H new ATOM 86 N VAL A 7 -1.178 -5.826 3.573 1.00 0.00 N ATOM 87 CA VAL A 7 -1.607 -4.698 4.403 1.00 0.00 C ATOM 88 C VAL A 7 -1.253 -4.991 5.856 1.00 0.00 C ATOM 89 O VAL A 7 -0.657 -4.157 6.542 1.00 0.00 O ATOM 90 CB VAL A 7 -3.112 -4.386 4.238 1.00 0.00 C ATOM 91 CG1 VAL A 7 -3.522 -3.144 5.043 1.00 0.00 C ATOM 92 CG2 VAL A 7 -3.475 -4.139 2.771 1.00 0.00 C ATOM 0 H VAL A 7 -1.913 -6.210 2.979 1.00 0.00 H new ATOM 0 HA VAL A 7 -1.079 -3.803 4.073 1.00 0.00 H new ATOM 0 HB VAL A 7 -3.646 -5.260 4.610 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.586 -2.955 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -3.319 -3.313 6.101 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.952 -2.282 4.697 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.540 -3.923 2.691 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -2.903 -3.292 2.392 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.240 -5.027 2.184 1.00 0.00 H new ATOM 102 N GLU A 8 -1.594 -6.198 6.298 1.00 0.00 N ATOM 103 CA GLU A 8 -1.440 -6.586 7.682 1.00 0.00 C ATOM 104 C GLU A 8 0.035 -6.597 8.075 1.00 0.00 C ATOM 105 O GLU A 8 0.410 -5.987 9.068 1.00 0.00 O ATOM 106 CB GLU A 8 -2.122 -7.930 7.945 1.00 0.00 C ATOM 107 CG GLU A 8 -2.176 -8.161 9.462 1.00 0.00 C ATOM 108 CD GLU A 8 -3.421 -8.923 9.906 1.00 0.00 C ATOM 109 OE1 GLU A 8 -4.517 -8.314 9.925 1.00 0.00 O ATOM 110 OE2 GLU A 8 -3.280 -10.083 10.354 1.00 0.00 O ATOM 0 H GLU A 8 -1.984 -6.928 5.702 1.00 0.00 H new ATOM 0 HA GLU A 8 -1.935 -5.848 8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.128 -7.933 7.526 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -1.572 -8.735 7.459 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -1.289 -8.714 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -2.145 -7.198 9.972 1.00 0.00 H new ATOM 117 N THR A 9 0.900 -7.232 7.288 1.00 0.00 N ATOM 118 CA THR A 9 2.300 -7.396 7.641 1.00 0.00 C ATOM 119 C THR A 9 2.995 -6.048 7.770 1.00 0.00 C ATOM 120 O THR A 9 3.831 -5.866 8.659 1.00 0.00 O ATOM 121 CB THR A 9 3.043 -8.204 6.576 1.00 0.00 C ATOM 122 OG1 THR A 9 2.462 -8.182 5.291 1.00 0.00 O ATOM 123 CG2 THR A 9 3.264 -9.657 6.975 1.00 0.00 C ATOM 0 H THR A 9 0.647 -7.645 6.390 1.00 0.00 H new ATOM 0 HA THR A 9 2.324 -7.921 8.596 1.00 0.00 H new ATOM 0 HB THR A 9 3.999 -7.683 6.516 1.00 0.00 H new ATOM 0 HG1 THR A 9 1.689 -8.784 5.271 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.796 -10.176 6.178 1.00 0.00 H new ATOM 0 HG22 THR A 9 3.854 -9.697 7.891 1.00 0.00 H new ATOM 0 HG23 THR A 9 2.301 -10.139 7.142 1.00 0.00 H new ATOM 131 N VAL A 10 2.682 -5.120 6.867 1.00 0.00 N ATOM 132 CA VAL A 10 3.271 -3.799 6.914 1.00 0.00 C ATOM 133 C VAL A 10 2.751 -3.078 8.158 1.00 0.00 C ATOM 134 O VAL A 10 3.536 -2.372 8.782 1.00 0.00 O ATOM 135 CB VAL A 10 3.000 -3.042 5.609 1.00 0.00 C ATOM 136 CG1 VAL A 10 3.550 -1.624 5.650 1.00 0.00 C ATOM 137 CG2 VAL A 10 3.656 -3.685 4.391 1.00 0.00 C ATOM 0 H VAL A 10 2.026 -5.265 6.100 1.00 0.00 H new ATOM 0 HA VAL A 10 4.356 -3.861 6.996 1.00 0.00 H new ATOM 0 HB VAL A 10 1.914 -3.061 5.519 1.00 0.00 H new ATOM 0 HG11 VAL A 10 3.336 -1.123 4.706 1.00 0.00 H new ATOM 0 HG12 VAL A 10 3.080 -1.075 6.466 1.00 0.00 H new ATOM 0 HG13 VAL A 10 4.628 -1.656 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.424 -3.099 3.501 1.00 0.00 H new ATOM 0 HG22 VAL A 10 4.736 -3.716 4.534 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.277 -4.699 4.267 1.00 0.00 H new ATOM 147 N SER A 11 1.504 -3.298 8.586 1.00 0.00 N ATOM 148 CA SER A 11 1.024 -2.773 9.858 1.00 0.00 C ATOM 149 C SER A 11 1.897 -3.273 11.009 1.00 0.00 C ATOM 150 O SER A 11 2.243 -2.503 11.911 1.00 0.00 O ATOM 151 CB SER A 11 -0.437 -3.169 10.084 1.00 0.00 C ATOM 152 OG SER A 11 -1.027 -2.440 11.136 1.00 0.00 O ATOM 0 H SER A 11 0.812 -3.837 8.066 1.00 0.00 H new ATOM 0 HA SER A 11 1.086 -1.685 9.826 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.003 -3.004 9.167 1.00 0.00 H new ATOM 0 HB3 SER A 11 -0.493 -4.235 10.306 1.00 0.00 H new ATOM 0 HG SER A 11 -1.175 -1.514 10.850 1.00 0.00 H new ATOM 158 N LEU A 12 2.291 -4.550 10.984 1.00 0.00 N ATOM 159 CA LEU A 12 3.096 -5.142 12.050 1.00 0.00 C ATOM 160 C LEU A 12 4.552 -4.669 12.025 1.00 0.00 C ATOM 161 O LEU A 12 5.278 -4.811 13.014 1.00 0.00 O ATOM 162 CB LEU A 12 3.100 -6.671 11.966 1.00 0.00 C ATOM 163 CG LEU A 12 1.721 -7.334 11.925 1.00 0.00 C ATOM 164 CD1 LEU A 12 1.938 -8.837 11.782 1.00 0.00 C ATOM 165 CD2 LEU A 12 0.869 -7.055 13.164 1.00 0.00 C ATOM 0 H LEU A 12 2.062 -5.196 10.229 1.00 0.00 H new ATOM 0 HA LEU A 12 2.629 -4.812 12.978 1.00 0.00 H new ATOM 0 HB2 LEU A 12 3.652 -6.967 11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.647 -7.063 12.824 1.00 0.00 H new ATOM 0 HG LEU A 12 1.170 -6.915 11.083 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.973 -9.342 11.749 1.00 0.00 H new ATOM 0 HD12 LEU A 12 2.485 -9.040 10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 12 2.511 -9.204 12.633 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.094 -7.557 13.064 1.00 0.00 H new ATOM 0 HD22 LEU A 12 1.382 -7.428 14.050 1.00 0.00 H new ATOM 0 HD23 LEU A 12 0.710 -5.981 13.262 1.00 0.00 H new ATOM 177 N ALA A 13 5.015 -4.170 10.879 1.00 0.00 N ATOM 178 CA ALA A 13 6.302 -3.508 10.740 1.00 0.00 C ATOM 179 C ALA A 13 6.175 -2.006 11.007 1.00 0.00 C ATOM 180 O ALA A 13 7.163 -1.360 11.341 1.00 0.00 O ATOM 181 CB ALA A 13 6.858 -3.785 9.344 1.00 0.00 C ATOM 0 H ALA A 13 4.491 -4.218 10.005 1.00 0.00 H new ATOM 0 HA ALA A 13 6.997 -3.904 11.480 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.823 -3.291 9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 13 6.982 -4.859 9.208 1.00 0.00 H new ATOM 0 HB3 ALA A 13 6.166 -3.402 8.594 1.00 0.00 H new ATOM 187 N GLY A 14 4.976 -1.435 10.885 1.00 0.00 N ATOM 188 CA GLY A 14 4.743 0.000 10.813 1.00 0.00 C ATOM 189 C GLY A 14 5.394 0.630 9.580 1.00 0.00 C ATOM 190 O GLY A 14 5.501 1.857 9.514 1.00 0.00 O ATOM 0 H GLY A 14 4.115 -1.980 10.832 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.670 0.192 10.793 1.00 0.00 H new ATOM 0 HA3 GLY A 14 5.135 0.476 11.712 1.00 0.00 H new ATOM 194 N SER A 15 5.880 -0.158 8.614 1.00 0.00 N ATOM 195 CA SER A 15 6.813 0.299 7.595 1.00 0.00 C ATOM 196 C SER A 15 7.078 -0.830 6.595 1.00 0.00 C ATOM 197 O SER A 15 6.701 -1.978 6.826 1.00 0.00 O ATOM 198 CB SER A 15 8.081 0.822 8.319 1.00 0.00 C ATOM 199 OG SER A 15 9.305 0.197 7.972 1.00 0.00 O ATOM 0 H SER A 15 5.629 -1.142 8.523 1.00 0.00 H new ATOM 0 HA SER A 15 6.411 1.121 7.003 1.00 0.00 H new ATOM 0 HB2 SER A 15 8.173 1.890 8.119 1.00 0.00 H new ATOM 0 HB3 SER A 15 7.932 0.710 9.393 1.00 0.00 H new ATOM 0 HG SER A 15 10.036 0.603 8.483 1.00 0.00 H new ATOM 205 N TYR A 16 7.714 -0.509 5.468 1.00 0.00 N ATOM 206 CA TYR A 16 8.237 -1.490 4.514 1.00 0.00 C ATOM 207 C TYR A 16 9.365 -0.842 3.719 1.00 0.00 C ATOM 208 O TYR A 16 9.158 0.246 3.172 1.00 0.00 O ATOM 209 CB TYR A 16 7.112 -1.946 3.580 1.00 0.00 C ATOM 210 CG TYR A 16 7.487 -3.038 2.593 1.00 0.00 C ATOM 211 CD1 TYR A 16 8.020 -2.749 1.318 1.00 0.00 C ATOM 212 CD2 TYR A 16 7.290 -4.376 2.968 1.00 0.00 C ATOM 213 CE1 TYR A 16 8.305 -3.779 0.407 1.00 0.00 C ATOM 214 CE2 TYR A 16 7.578 -5.412 2.068 1.00 0.00 C ATOM 215 CZ TYR A 16 8.076 -5.121 0.774 1.00 0.00 C ATOM 216 OH TYR A 16 8.313 -6.091 -0.150 1.00 0.00 O ATOM 0 H TYR A 16 7.884 0.457 5.187 1.00 0.00 H new ATOM 0 HA TYR A 16 8.622 -2.363 5.040 1.00 0.00 H new ATOM 0 HB2 TYR A 16 6.279 -2.299 4.188 1.00 0.00 H new ATOM 0 HB3 TYR A 16 6.754 -1.082 3.021 1.00 0.00 H new ATOM 0 HD1 TYR A 16 8.211 -1.723 1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.915 -4.609 3.954 1.00 0.00 H new ATOM 0 HE1 TYR A 16 8.698 -3.544 -0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 16 7.419 -6.439 2.363 1.00 0.00 H new ATOM 0 HH TYR A 16 8.114 -6.968 0.238 1.00 0.00 H new ATOM 226 N ARG A 17 10.510 -1.521 3.576 1.00 0.00 N ATOM 227 CA ARG A 17 11.737 -1.058 2.919 1.00 0.00 C ATOM 228 C ARG A 17 12.250 0.259 3.485 1.00 0.00 C ATOM 229 O ARG A 17 13.086 0.292 4.382 1.00 0.00 O ATOM 230 CB ARG A 17 11.520 -0.961 1.398 1.00 0.00 C ATOM 231 CG ARG A 17 11.324 -2.316 0.727 1.00 0.00 C ATOM 232 CD ARG A 17 12.610 -2.781 0.051 1.00 0.00 C ATOM 233 NE ARG A 17 13.630 -3.185 1.029 1.00 0.00 N ATOM 234 CZ ARG A 17 13.945 -4.431 1.401 1.00 0.00 C ATOM 235 NH1 ARG A 17 13.301 -5.482 0.905 1.00 0.00 N ATOM 236 NH2 ARG A 17 14.919 -4.627 2.276 1.00 0.00 N ATOM 0 H ARG A 17 10.610 -2.469 3.940 1.00 0.00 H new ATOM 0 HA ARG A 17 12.511 -1.798 3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.648 -0.337 1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 17 12.377 -0.461 0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.012 -3.051 1.468 1.00 0.00 H new ATOM 0 HG3 ARG A 17 10.525 -2.248 -0.011 1.00 0.00 H new ATOM 0 HD2 ARG A 17 12.390 -3.619 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 17 13.003 -1.978 -0.572 1.00 0.00 H new ATOM 0 HE ARG A 17 14.156 -2.432 1.473 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.551 -5.347 0.227 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.557 -6.424 1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.425 -3.830 2.663 1.00 0.00 H new ATOM 0 HH22 ARG A 17 15.163 -5.575 2.563 1.00 0.00 H new ATOM 250 N ASP A 18 11.718 1.351 2.963 1.00 0.00 N ATOM 251 CA ASP A 18 12.144 2.724 3.165 1.00 0.00 C ATOM 252 C ASP A 18 10.904 3.615 3.350 1.00 0.00 C ATOM 253 O ASP A 18 11.001 4.839 3.348 1.00 0.00 O ATOM 254 CB ASP A 18 13.015 3.137 1.965 1.00 0.00 C ATOM 255 CG ASP A 18 14.509 3.057 2.273 1.00 0.00 C ATOM 256 OD1 ASP A 18 15.109 1.967 2.142 1.00 0.00 O ATOM 257 OD2 ASP A 18 15.110 4.103 2.614 1.00 0.00 O ATOM 0 H ASP A 18 10.914 1.295 2.338 1.00 0.00 H new ATOM 0 HA ASP A 18 12.747 2.835 4.066 1.00 0.00 H new ATOM 0 HB2 ASP A 18 12.787 2.493 1.116 1.00 0.00 H new ATOM 0 HB3 ASP A 18 12.762 4.155 1.670 1.00 0.00 H new ATOM 262 N TRP A 19 9.723 3.011 3.505 1.00 0.00 N ATOM 263 CA TRP A 19 8.425 3.653 3.670 1.00 0.00 C ATOM 264 C TRP A 19 7.868 3.363 5.062 1.00 0.00 C ATOM 265 O TRP A 19 8.273 2.407 5.732 1.00 0.00 O ATOM 266 CB TRP A 19 7.446 3.078 2.646 1.00 0.00 C ATOM 267 CG TRP A 19 7.787 3.162 1.189 1.00 0.00 C ATOM 268 CD1 TRP A 19 8.841 2.590 0.567 1.00 0.00 C ATOM 269 CD2 TRP A 19 7.013 3.787 0.130 1.00 0.00 C ATOM 270 NE1 TRP A 19 8.798 2.848 -0.779 1.00 0.00 N ATOM 271 CE2 TRP A 19 7.677 3.572 -1.110 1.00 0.00 C ATOM 272 CE3 TRP A 19 5.804 4.502 0.097 1.00 0.00 C ATOM 273 CZ2 TRP A 19 7.153 4.031 -2.320 1.00 0.00 C ATOM 274 CZ3 TRP A 19 5.313 5.045 -1.095 1.00 0.00 C ATOM 275 CH2 TRP A 19 5.990 4.819 -2.307 1.00 0.00 C ATOM 0 H TRP A 19 9.648 1.994 3.519 1.00 0.00 H new ATOM 0 HA TRP A 19 8.547 4.727 3.533 1.00 0.00 H new ATOM 0 HB2 TRP A 19 7.296 2.026 2.889 1.00 0.00 H new ATOM 0 HB3 TRP A 19 6.488 3.578 2.789 1.00 0.00 H new ATOM 0 HD1 TRP A 19 9.608 2.012 1.060 1.00 0.00 H new ATOM 0 HE1 TRP A 19 9.505 2.543 -1.447 1.00 0.00 H new ATOM 0 HE3 TRP A 19 5.243 4.635 1.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 7.636 3.783 -3.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 4.411 5.640 -1.085 1.00 0.00 H new ATOM 0 HH2 TRP A 19 5.617 5.250 -3.224 1.00 0.00 H new ATOM 286 N SER A 20 6.830 4.106 5.420 1.00 0.00 N ATOM 287 CA SER A 20 6.124 4.113 6.685 1.00 0.00 C ATOM 288 C SER A 20 4.681 3.741 6.399 1.00 0.00 C ATOM 289 O SER A 20 4.115 4.221 5.427 1.00 0.00 O ATOM 290 CB SER A 20 6.180 5.532 7.259 1.00 0.00 C ATOM 291 OG SER A 20 7.248 5.638 8.179 1.00 0.00 O ATOM 0 H SER A 20 6.427 4.780 4.769 1.00 0.00 H new ATOM 0 HA SER A 20 6.565 3.414 7.395 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.310 6.255 6.453 1.00 0.00 H new ATOM 0 HB3 SER A 20 5.238 5.771 7.753 1.00 0.00 H new ATOM 0 HG SER A 20 7.279 6.548 8.541 1.00 0.00 H new ATOM 297 N TYR A 21 4.085 2.887 7.217 1.00 0.00 N ATOM 298 CA TYR A 21 2.643 2.664 7.239 1.00 0.00 C ATOM 299 C TYR A 21 1.911 3.961 7.638 1.00 0.00 C ATOM 300 O TYR A 21 2.510 4.914 8.144 1.00 0.00 O ATOM 301 CB TYR A 21 2.401 1.501 8.212 1.00 0.00 C ATOM 302 CG TYR A 21 1.008 0.905 8.255 1.00 0.00 C ATOM 303 CD1 TYR A 21 0.584 -0.010 7.269 1.00 0.00 C ATOM 304 CD2 TYR A 21 0.165 1.194 9.341 1.00 0.00 C ATOM 305 CE1 TYR A 21 -0.676 -0.629 7.370 1.00 0.00 C ATOM 306 CE2 TYR A 21 -1.104 0.602 9.433 1.00 0.00 C ATOM 307 CZ TYR A 21 -1.528 -0.317 8.451 1.00 0.00 C ATOM 308 OH TYR A 21 -2.752 -0.904 8.545 1.00 0.00 O ATOM 0 H TYR A 21 4.595 2.320 7.895 1.00 0.00 H new ATOM 0 HA TYR A 21 2.246 2.400 6.259 1.00 0.00 H new ATOM 0 HB2 TYR A 21 3.101 0.703 7.964 1.00 0.00 H new ATOM 0 HB3 TYR A 21 2.652 1.844 9.216 1.00 0.00 H new ATOM 0 HD1 TYR A 21 1.229 -0.237 6.433 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.496 1.876 10.110 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -0.990 -1.341 6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.757 0.850 10.257 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.209 -0.580 9.349 1.00 0.00 H new ATOM 318 N SER A 22 0.607 4.025 7.388 1.00 0.00 N ATOM 319 CA SER A 22 -0.307 5.047 7.840 1.00 0.00 C ATOM 320 C SER A 22 -1.584 4.327 8.267 1.00 0.00 C ATOM 321 O SER A 22 -1.579 3.638 9.281 1.00 0.00 O ATOM 322 CB SER A 22 -0.468 6.123 6.764 1.00 0.00 C ATOM 323 OG SER A 22 0.760 6.808 6.597 1.00 0.00 O ATOM 0 H SER A 22 0.138 3.314 6.827 1.00 0.00 H new ATOM 0 HA SER A 22 0.055 5.605 8.704 1.00 0.00 H new ATOM 0 HB2 SER A 22 -0.774 5.668 5.822 1.00 0.00 H new ATOM 0 HB3 SER A 22 -1.252 6.824 7.049 1.00 0.00 H new ATOM 0 HG SER A 22 1.443 6.400 7.170 1.00 0.00 H new ATOM 329 N GLY A 23 -2.690 4.488 7.547 1.00 0.00 N ATOM 330 CA GLY A 23 -3.929 3.758 7.782 1.00 0.00 C ATOM 331 C GLY A 23 -5.115 4.706 7.877 1.00 0.00 C ATOM 332 O GLY A 23 -6.226 4.291 8.199 1.00 0.00 O ATOM 0 H GLY A 23 -2.750 5.144 6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -4.093 3.045 6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.846 3.182 8.703 1.00 0.00 H new ATOM 336 N GLN A 24 -4.901 5.997 7.611 1.00 0.00 N ATOM 337 CA GLN A 24 -5.948 6.995 7.559 1.00 0.00 C ATOM 338 C GLN A 24 -6.833 6.708 6.356 1.00 0.00 C ATOM 339 O GLN A 24 -6.351 6.562 5.235 1.00 0.00 O ATOM 340 CB GLN A 24 -5.306 8.388 7.491 1.00 0.00 C ATOM 341 CG GLN A 24 -6.336 9.519 7.431 1.00 0.00 C ATOM 342 CD GLN A 24 -7.364 9.441 8.564 1.00 0.00 C ATOM 343 OE1 GLN A 24 -7.014 9.500 9.744 1.00 0.00 O ATOM 344 NE2 GLN A 24 -8.633 9.226 8.254 1.00 0.00 N ATOM 0 H GLN A 24 -3.973 6.376 7.423 1.00 0.00 H new ATOM 0 HA GLN A 24 -6.573 6.963 8.452 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -4.668 8.531 8.363 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -4.663 8.443 6.613 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -5.820 10.478 7.479 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -6.854 9.483 6.473 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -8.918 9.178 7.276 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.326 9.108 8.993 1.00 0.00 H new ATOM 353 N ARG A 25 -8.134 6.592 6.596 1.00 0.00 N ATOM 354 CA ARG A 25 -9.097 6.307 5.542 1.00 0.00 C ATOM 355 C ARG A 25 -9.407 7.634 4.859 1.00 0.00 C ATOM 356 O ARG A 25 -9.468 8.662 5.539 1.00 0.00 O ATOM 357 CB ARG A 25 -10.329 5.576 6.120 1.00 0.00 C ATOM 358 CG ARG A 25 -9.912 4.548 7.198 1.00 0.00 C ATOM 359 CD ARG A 25 -10.680 3.232 7.269 1.00 0.00 C ATOM 360 NE ARG A 25 -12.092 3.379 7.663 1.00 0.00 N ATOM 361 CZ ARG A 25 -13.095 2.540 7.365 1.00 0.00 C ATOM 362 NH1 ARG A 25 -12.872 1.435 6.657 1.00 0.00 N ATOM 363 NH2 ARG A 25 -14.332 2.779 7.775 1.00 0.00 N ATOM 0 H ARG A 25 -8.548 6.693 7.523 1.00 0.00 H new ATOM 0 HA ARG A 25 -8.705 5.622 4.791 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -11.017 6.302 6.553 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -10.864 5.069 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.859 4.312 7.044 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -9.991 5.034 8.171 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.635 2.745 6.295 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.183 2.572 7.979 1.00 0.00 H new ATOM 0 HE ARG A 25 -12.331 4.201 8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.929 1.218 6.334 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -13.644 0.806 6.437 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -14.534 3.613 8.327 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -15.082 2.129 7.539 1.00 0.00 H new ATOM 377 N THR A 26 -9.529 7.626 3.534 1.00 0.00 N ATOM 378 CA THR A 26 -9.830 8.800 2.731 1.00 0.00 C ATOM 379 C THR A 26 -10.753 8.372 1.585 1.00 0.00 C ATOM 380 O THR A 26 -10.956 7.174 1.341 1.00 0.00 O ATOM 381 CB THR A 26 -8.529 9.443 2.199 1.00 0.00 C ATOM 382 OG1 THR A 26 -7.931 8.611 1.225 1.00 0.00 O ATOM 383 CG2 THR A 26 -7.476 9.773 3.265 1.00 0.00 C ATOM 0 H THR A 26 -9.418 6.778 2.978 1.00 0.00 H new ATOM 0 HA THR A 26 -10.332 9.554 3.338 1.00 0.00 H new ATOM 0 HB THR A 26 -8.852 10.395 1.777 1.00 0.00 H new ATOM 0 HG1 THR A 26 -8.052 7.672 1.478 1.00 0.00 H new ATOM 0 HG21 THR A 26 -6.603 10.220 2.788 1.00 0.00 H new ATOM 0 HG22 THR A 26 -7.895 10.475 3.985 1.00 0.00 H new ATOM 0 HG23 THR A 26 -7.180 8.859 3.780 1.00 0.00 H new ATOM 391 N GLU A 27 -11.230 9.341 0.804 1.00 0.00 N ATOM 392 CA GLU A 27 -12.002 9.102 -0.413 1.00 0.00 C ATOM 393 C GLU A 27 -11.238 8.310 -1.481 1.00 0.00 C ATOM 394 O GLU A 27 -11.847 7.750 -2.392 1.00 0.00 O ATOM 395 CB GLU A 27 -12.478 10.451 -0.956 1.00 0.00 C ATOM 396 CG GLU A 27 -11.388 11.287 -1.640 1.00 0.00 C ATOM 397 CD GLU A 27 -11.829 12.740 -1.778 1.00 0.00 C ATOM 398 OE1 GLU A 27 -12.032 13.403 -0.732 1.00 0.00 O ATOM 399 OE2 GLU A 27 -11.982 13.227 -2.917 1.00 0.00 O ATOM 0 H GLU A 27 -11.088 10.331 1.004 1.00 0.00 H new ATOM 0 HA GLU A 27 -12.853 8.473 -0.153 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -13.284 10.277 -1.669 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -12.899 11.030 -0.134 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.466 11.235 -1.061 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -11.170 10.873 -2.624 1.00 0.00 H new ATOM 406 N LEU A 28 -9.914 8.237 -1.364 1.00 0.00 N ATOM 407 CA LEU A 28 -9.023 7.554 -2.300 1.00 0.00 C ATOM 408 C LEU A 28 -8.775 6.116 -1.887 1.00 0.00 C ATOM 409 O LEU A 28 -8.145 5.361 -2.628 1.00 0.00 O ATOM 410 CB LEU A 28 -7.720 8.361 -2.409 1.00 0.00 C ATOM 411 CG LEU A 28 -7.965 9.798 -2.922 1.00 0.00 C ATOM 412 CD1 LEU A 28 -6.873 10.741 -2.421 1.00 0.00 C ATOM 413 CD2 LEU A 28 -8.086 9.840 -4.444 1.00 0.00 C ATOM 0 H LEU A 28 -9.414 8.668 -0.586 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.492 7.502 -3.283 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.238 8.403 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.033 7.849 -3.082 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.918 10.140 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.063 11.748 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.873 10.751 -1.331 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -5.903 10.398 -2.781 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.258 10.867 -4.767 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.165 9.468 -4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.922 9.216 -4.760 1.00 0.00 H new ATOM 425 N GLY A 29 -9.307 5.717 -0.733 1.00 0.00 N ATOM 426 CA GLY A 29 -8.960 4.468 -0.105 1.00 0.00 C ATOM 427 C GLY A 29 -8.181 4.766 1.165 1.00 0.00 C ATOM 428 O GLY A 29 -8.139 5.914 1.626 1.00 0.00 O ATOM 0 H GLY A 29 -9.994 6.263 -0.214 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -9.860 3.898 0.128 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -8.362 3.857 -0.781 1.00 0.00 H new ATOM 432 N VAL A 30 -7.608 3.741 1.779 1.00 0.00 N ATOM 433 CA VAL A 30 -6.825 3.926 3.001 1.00 0.00 C ATOM 434 C VAL A 30 -5.372 4.249 2.646 1.00 0.00 C ATOM 435 O VAL A 30 -4.790 3.556 1.819 1.00 0.00 O ATOM 436 CB VAL A 30 -6.973 2.678 3.876 1.00 0.00 C ATOM 437 CG1 VAL A 30 -6.191 2.812 5.175 1.00 0.00 C ATOM 438 CG2 VAL A 30 -8.441 2.498 4.265 1.00 0.00 C ATOM 0 H VAL A 30 -7.668 2.775 1.456 1.00 0.00 H new ATOM 0 HA VAL A 30 -7.194 4.775 3.577 1.00 0.00 H new ATOM 0 HB VAL A 30 -6.597 1.833 3.299 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.319 1.909 5.771 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -5.134 2.952 4.950 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -6.560 3.671 5.735 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -8.546 1.610 4.888 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -8.780 3.373 4.820 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -9.045 2.383 3.365 1.00 0.00 H new ATOM 448 N GLU A 31 -4.794 5.292 3.256 1.00 0.00 N ATOM 449 CA GLU A 31 -3.381 5.648 3.139 1.00 0.00 C ATOM 450 C GLU A 31 -2.540 4.479 3.634 1.00 0.00 C ATOM 451 O GLU A 31 -2.634 4.094 4.797 1.00 0.00 O ATOM 452 CB GLU A 31 -3.023 6.918 3.943 1.00 0.00 C ATOM 453 CG GLU A 31 -3.546 8.170 3.222 1.00 0.00 C ATOM 454 CD GLU A 31 -2.883 9.509 3.567 1.00 0.00 C ATOM 455 OE1 GLU A 31 -1.878 9.551 4.316 1.00 0.00 O ATOM 456 OE2 GLU A 31 -3.353 10.543 3.029 1.00 0.00 O ATOM 0 H GLU A 31 -5.315 5.927 3.861 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.174 5.862 2.091 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.455 6.858 4.942 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.942 6.986 4.067 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.443 8.009 2.149 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.612 8.258 3.430 1.00 0.00 H new ATOM 463 N PHE A 32 -1.733 3.917 2.744 1.00 0.00 N ATOM 464 CA PHE A 32 -0.918 2.750 2.982 1.00 0.00 C ATOM 465 C PHE A 32 0.466 3.127 3.449 1.00 0.00 C ATOM 466 O PHE A 32 0.691 3.649 4.536 1.00 0.00 O ATOM 467 CB PHE A 32 -1.107 1.733 1.835 1.00 0.00 C ATOM 468 CG PHE A 32 -0.663 0.298 2.098 1.00 0.00 C ATOM 469 CD1 PHE A 32 -0.548 -0.240 3.402 1.00 0.00 C ATOM 470 CD2 PHE A 32 -0.385 -0.530 0.994 1.00 0.00 C ATOM 471 CE1 PHE A 32 -0.057 -1.540 3.591 1.00 0.00 C ATOM 472 CE2 PHE A 32 0.084 -1.840 1.186 1.00 0.00 C ATOM 473 CZ PHE A 32 0.282 -2.334 2.486 1.00 0.00 C ATOM 0 H PHE A 32 -1.630 4.284 1.798 1.00 0.00 H new ATOM 0 HA PHE A 32 -1.250 2.173 3.845 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.164 1.717 1.568 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.564 2.101 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.840 0.354 4.256 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.533 -0.155 -0.008 1.00 0.00 H new ATOM 0 HE1 PHE A 32 0.060 -1.931 4.591 1.00 0.00 H new ATOM 0 HE2 PHE A 32 0.293 -2.468 0.333 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.694 -3.321 2.634 1.00 0.00 H new ATOM 483 N LEU A 33 1.378 2.821 2.579 1.00 0.00 N ATOM 484 CA LEU A 33 2.788 3.145 2.676 1.00 0.00 C ATOM 485 C LEU A 33 2.927 4.590 2.225 1.00 0.00 C ATOM 486 O LEU A 33 2.659 4.913 1.070 1.00 0.00 O ATOM 487 CB LEU A 33 3.724 2.203 1.898 1.00 0.00 C ATOM 488 CG LEU A 33 3.994 0.847 2.578 1.00 0.00 C ATOM 489 CD1 LEU A 33 4.535 1.032 4.004 1.00 0.00 C ATOM 490 CD2 LEU A 33 2.758 -0.034 2.490 1.00 0.00 C ATOM 0 H LEU A 33 1.155 2.307 1.726 1.00 0.00 H new ATOM 0 HA LEU A 33 3.112 3.008 3.708 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.294 2.020 0.913 1.00 0.00 H new ATOM 0 HB3 LEU A 33 4.676 2.710 1.741 1.00 0.00 H new ATOM 0 HG LEU A 33 4.786 0.323 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.715 0.056 4.455 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.469 1.593 3.969 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.806 1.579 4.602 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.958 -0.990 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.924 0.458 2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.505 -0.202 1.443 1.00 0.00 H new ATOM 502 N LYS A 34 3.356 5.462 3.124 1.00 0.00 N ATOM 503 CA LYS A 34 3.858 6.785 2.831 1.00 0.00 C ATOM 504 C LYS A 34 5.369 6.692 2.738 1.00 0.00 C ATOM 505 O LYS A 34 5.998 5.960 3.497 1.00 0.00 O ATOM 506 CB LYS A 34 3.491 7.729 3.980 1.00 0.00 C ATOM 507 CG LYS A 34 2.116 8.385 3.779 1.00 0.00 C ATOM 508 CD LYS A 34 2.103 9.829 4.292 1.00 0.00 C ATOM 509 CE LYS A 34 2.935 10.705 3.339 1.00 0.00 C ATOM 510 NZ LYS A 34 3.527 11.889 3.992 1.00 0.00 N ATOM 0 H LYS A 34 3.362 5.252 4.122 1.00 0.00 H new ATOM 0 HA LYS A 34 3.431 7.161 1.901 1.00 0.00 H new ATOM 0 HB2 LYS A 34 3.493 7.174 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.252 8.505 4.067 1.00 0.00 H new ATOM 0 HG2 LYS A 34 1.856 8.371 2.720 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.355 7.805 4.301 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.080 10.200 4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.514 9.874 5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.733 10.101 2.907 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.302 11.033 2.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.073 12.434 3.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.769 12.486 4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.156 11.583 4.761 1.00 0.00 H new ATOM 524 N ARG A 35 5.963 7.473 1.854 1.00 0.00 N ATOM 525 CA ARG A 35 7.380 7.810 1.853 1.00 0.00 C ATOM 526 C ARG A 35 7.473 9.242 1.336 1.00 0.00 C ATOM 527 O ARG A 35 6.433 9.837 1.029 1.00 0.00 O ATOM 528 CB ARG A 35 8.142 6.759 1.026 1.00 0.00 C ATOM 529 CG ARG A 35 9.667 6.888 0.978 1.00 0.00 C ATOM 530 CD ARG A 35 10.255 5.678 0.270 1.00 0.00 C ATOM 531 NE ARG A 35 11.707 5.805 0.104 1.00 0.00 N ATOM 532 CZ ARG A 35 12.420 5.260 -0.886 1.00 0.00 C ATOM 533 NH1 ARG A 35 11.796 4.659 -1.893 1.00 0.00 N ATOM 534 NH2 ARG A 35 13.746 5.321 -0.862 1.00 0.00 N ATOM 0 H ARG A 35 5.453 7.909 1.085 1.00 0.00 H new ATOM 0 HA ARG A 35 7.848 7.782 2.837 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.897 5.773 1.422 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.766 6.794 0.003 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.949 7.802 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.069 6.962 1.989 1.00 0.00 H new ATOM 0 HD2 ARG A 35 10.030 4.777 0.840 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.785 5.563 -0.707 1.00 0.00 H new ATOM 0 HE ARG A 35 12.213 6.353 0.800 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.777 4.615 -1.908 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.336 4.241 -2.651 1.00 0.00 H new ATOM 0 HH21 ARG A 35 14.221 5.784 -0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 35 14.289 4.905 -1.618 1.00 0.00 H new ATOM 548 N GLY A 36 8.675 9.804 1.249 1.00 0.00 N ATOM 549 CA GLY A 36 8.941 11.086 0.628 1.00 0.00 C ATOM 550 C GLY A 36 8.244 11.186 -0.707 1.00 0.00 C ATOM 551 O GLY A 36 8.632 10.565 -1.689 1.00 0.00 O ATOM 0 H GLY A 36 9.514 9.361 1.623 1.00 0.00 H new ATOM 0 HA2 GLY A 36 8.603 11.890 1.282 1.00 0.00 H new ATOM 0 HA3 GLY A 36 10.015 11.215 0.494 1.00 0.00 H new ATOM 555 N ASP A 37 7.197 11.985 -0.663 1.00 0.00 N ATOM 556 CA ASP A 37 6.361 12.530 -1.705 1.00 0.00 C ATOM 557 C ASP A 37 5.385 11.519 -2.302 1.00 0.00 C ATOM 558 O ASP A 37 4.703 11.813 -3.282 1.00 0.00 O ATOM 559 CB ASP A 37 7.163 13.269 -2.785 1.00 0.00 C ATOM 560 CG ASP A 37 8.212 14.233 -2.236 1.00 0.00 C ATOM 561 OD1 ASP A 37 7.986 14.886 -1.192 1.00 0.00 O ATOM 562 OD2 ASP A 37 9.308 14.311 -2.837 1.00 0.00 O ATOM 0 H ASP A 37 6.869 12.313 0.245 1.00 0.00 H new ATOM 0 HA ASP A 37 5.742 13.277 -1.207 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.658 12.535 -3.420 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.472 13.824 -3.419 1.00 0.00 H new ATOM 567 N LYS A 38 5.298 10.318 -1.729 1.00 0.00 N ATOM 568 CA LYS A 38 4.648 9.176 -2.338 1.00 0.00 C ATOM 569 C LYS A 38 3.682 8.603 -1.315 1.00 0.00 C ATOM 570 O LYS A 38 4.085 8.341 -0.178 1.00 0.00 O ATOM 571 CB LYS A 38 5.725 8.154 -2.704 1.00 0.00 C ATOM 572 CG LYS A 38 6.842 8.655 -3.633 1.00 0.00 C ATOM 573 CD LYS A 38 6.566 8.556 -5.142 1.00 0.00 C ATOM 574 CE LYS A 38 6.317 7.118 -5.615 1.00 0.00 C ATOM 575 NZ LYS A 38 6.894 6.829 -6.949 1.00 0.00 N ATOM 0 H LYS A 38 5.689 10.116 -0.809 1.00 0.00 H new ATOM 0 HA LYS A 38 4.101 9.448 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.181 7.791 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.241 7.300 -3.178 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.048 9.698 -3.390 1.00 0.00 H new ATOM 0 HG3 LYS A 38 7.749 8.092 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 38 5.698 9.168 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 38 7.413 8.970 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.740 6.426 -4.887 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.243 6.934 -5.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.691 5.843 -7.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 6.474 7.467 -7.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.923 6.974 -6.921 1.00 0.00 H new ATOM 589 N ILE A 39 2.430 8.382 -1.699 1.00 0.00 N ATOM 590 CA ILE A 39 1.422 7.782 -0.834 1.00 0.00 C ATOM 591 C ILE A 39 0.788 6.650 -1.631 1.00 0.00 C ATOM 592 O ILE A 39 0.119 6.873 -2.645 1.00 0.00 O ATOM 593 CB ILE A 39 0.383 8.802 -0.315 1.00 0.00 C ATOM 594 CG1 ILE A 39 1.079 10.057 0.253 1.00 0.00 C ATOM 595 CG2 ILE A 39 -0.511 8.099 0.726 1.00 0.00 C ATOM 596 CD1 ILE A 39 0.168 10.976 1.077 1.00 0.00 C ATOM 0 H ILE A 39 2.083 8.617 -2.629 1.00 0.00 H new ATOM 0 HA ILE A 39 1.884 7.400 0.076 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.246 9.152 -1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.915 9.741 0.877 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.498 10.630 -0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.252 8.803 1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -1.018 7.255 0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.104 7.741 1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.742 11.831 1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.655 11.327 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.231 10.424 1.928 1.00 0.00 H new ATOM 608 N VAL A 40 1.022 5.430 -1.167 1.00 0.00 N ATOM 609 CA VAL A 40 0.309 4.253 -1.629 1.00 0.00 C ATOM 610 C VAL A 40 -1.039 4.272 -0.911 1.00 0.00 C ATOM 611 O VAL A 40 -1.132 4.755 0.216 1.00 0.00 O ATOM 612 CB VAL A 40 1.098 2.960 -1.310 1.00 0.00 C ATOM 613 CG1 VAL A 40 0.504 1.689 -1.935 1.00 0.00 C ATOM 614 CG2 VAL A 40 2.548 3.011 -1.784 1.00 0.00 C ATOM 0 H VAL A 40 1.721 5.230 -0.451 1.00 0.00 H new ATOM 0 HA VAL A 40 0.180 4.266 -2.711 1.00 0.00 H new ATOM 0 HB VAL A 40 1.035 2.912 -0.223 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.116 0.829 -1.663 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.511 1.543 -1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.485 1.792 -3.020 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.047 2.075 -1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.573 3.155 -2.864 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.061 3.840 -1.296 1.00 0.00 H new ATOM 624 N TYR A 41 -2.073 3.714 -1.524 1.00 0.00 N ATOM 625 CA TYR A 41 -3.380 3.467 -0.942 1.00 0.00 C ATOM 626 C TYR A 41 -3.701 1.982 -1.050 1.00 0.00 C ATOM 627 O TYR A 41 -3.053 1.268 -1.817 1.00 0.00 O ATOM 628 CB TYR A 41 -4.445 4.330 -1.636 1.00 0.00 C ATOM 629 CG TYR A 41 -4.289 5.805 -1.331 1.00 0.00 C ATOM 630 CD1 TYR A 41 -3.267 6.557 -1.939 1.00 0.00 C ATOM 631 CD2 TYR A 41 -5.115 6.402 -0.365 1.00 0.00 C ATOM 632 CE1 TYR A 41 -3.052 7.891 -1.566 1.00 0.00 C ATOM 633 CE2 TYR A 41 -4.895 7.729 0.028 1.00 0.00 C ATOM 634 CZ TYR A 41 -3.850 8.475 -0.557 1.00 0.00 C ATOM 635 OH TYR A 41 -3.580 9.726 -0.097 1.00 0.00 O ATOM 0 H TYR A 41 -2.017 3.405 -2.495 1.00 0.00 H new ATOM 0 HA TYR A 41 -3.376 3.745 0.112 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.385 4.177 -2.714 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.435 4.001 -1.322 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -2.645 6.104 -2.697 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.922 5.837 0.076 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -2.279 8.471 -2.048 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -5.526 8.181 0.779 1.00 0.00 H new ATOM 0 HH TYR A 41 -3.659 9.740 0.880 1.00 0.00 H new ATOM 645 N HIS A 42 -4.703 1.517 -0.308 1.00 0.00 N ATOM 646 CA HIS A 42 -5.337 0.227 -0.529 1.00 0.00 C ATOM 647 C HIS A 42 -6.847 0.391 -0.433 1.00 0.00 C ATOM 648 O HIS A 42 -7.353 1.267 0.284 1.00 0.00 O ATOM 649 CB HIS A 42 -4.801 -0.830 0.445 1.00 0.00 C ATOM 650 CG HIS A 42 -5.140 -0.632 1.904 1.00 0.00 C ATOM 651 ND1 HIS A 42 -6.320 -0.999 2.509 1.00 0.00 N ATOM 652 CD2 HIS A 42 -4.303 -0.173 2.886 1.00 0.00 C ATOM 653 CE1 HIS A 42 -6.190 -0.784 3.828 1.00 0.00 C ATOM 654 NE2 HIS A 42 -4.979 -0.266 4.108 1.00 0.00 N ATOM 0 H HIS A 42 -5.101 2.036 0.475 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.094 -0.133 -1.529 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.180 -1.804 0.135 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.716 -0.865 0.348 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -7.146 -1.369 2.039 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -3.298 0.196 2.743 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.952 -0.997 4.563 1.00 0.00 H new ATOM 662 N THR A 43 -7.567 -0.473 -1.134 1.00 0.00 N ATOM 663 CA THR A 43 -9.012 -0.551 -1.059 1.00 0.00 C ATOM 664 C THR A 43 -9.428 -1.064 0.322 1.00 0.00 C ATOM 665 O THR A 43 -8.677 -1.765 1.011 1.00 0.00 O ATOM 666 CB THR A 43 -9.510 -1.451 -2.206 1.00 0.00 C ATOM 667 OG1 THR A 43 -8.785 -2.661 -2.238 1.00 0.00 O ATOM 668 CG2 THR A 43 -9.280 -0.749 -3.544 1.00 0.00 C ATOM 0 H THR A 43 -7.155 -1.147 -1.779 1.00 0.00 H new ATOM 0 HA THR A 43 -9.469 0.431 -1.179 1.00 0.00 H new ATOM 0 HB THR A 43 -10.569 -1.650 -2.041 1.00 0.00 H new ATOM 0 HG1 THR A 43 -9.353 -3.391 -1.916 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.633 -1.387 -4.355 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.827 0.193 -3.559 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.216 -0.553 -3.674 1.00 0.00 H new ATOM 676 N LEU A 44 -10.654 -0.740 0.725 1.00 0.00 N ATOM 677 CA LEU A 44 -11.331 -1.353 1.872 1.00 0.00 C ATOM 678 C LEU A 44 -11.781 -2.792 1.605 1.00 0.00 C ATOM 679 O LEU A 44 -12.278 -3.457 2.513 1.00 0.00 O ATOM 680 CB LEU A 44 -12.570 -0.523 2.247 1.00 0.00 C ATOM 681 CG LEU A 44 -12.276 0.910 2.719 1.00 0.00 C ATOM 682 CD1 LEU A 44 -13.546 1.590 3.242 1.00 0.00 C ATOM 683 CD2 LEU A 44 -11.235 0.902 3.833 1.00 0.00 C ATOM 0 H LEU A 44 -11.218 -0.031 0.257 1.00 0.00 H new ATOM 0 HA LEU A 44 -10.604 -1.374 2.684 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -13.232 -0.476 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -13.113 -1.045 3.035 1.00 0.00 H new ATOM 0 HG LEU A 44 -11.897 1.464 1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -13.308 2.602 3.569 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -14.291 1.631 2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -13.944 1.021 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -11.039 1.925 4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -11.609 0.321 4.676 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.312 0.454 3.465 1.00 0.00 H new ATOM 695 N GLU A 45 -11.677 -3.245 0.362 1.00 0.00 N ATOM 696 CA GLU A 45 -12.359 -4.420 -0.153 1.00 0.00 C ATOM 697 C GLU A 45 -11.366 -5.281 -0.935 1.00 0.00 C ATOM 698 O GLU A 45 -10.307 -4.792 -1.349 1.00 0.00 O ATOM 699 CB GLU A 45 -13.510 -3.944 -1.054 1.00 0.00 C ATOM 700 CG GLU A 45 -14.532 -3.094 -0.287 1.00 0.00 C ATOM 701 CD GLU A 45 -15.573 -2.452 -1.197 1.00 0.00 C ATOM 702 OE1 GLU A 45 -15.215 -1.584 -2.025 1.00 0.00 O ATOM 703 OE2 GLU A 45 -16.789 -2.642 -0.959 1.00 0.00 O ATOM 0 H GLU A 45 -11.094 -2.786 -0.338 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.763 -5.026 0.658 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -13.105 -3.363 -1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -14.012 -4.809 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -15.037 -3.719 0.450 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -14.007 -2.313 0.264 1.00 0.00 H new ATOM 710 N SER A 46 -11.712 -6.557 -1.118 1.00 0.00 N ATOM 711 CA SER A 46 -10.904 -7.528 -1.843 1.00 0.00 C ATOM 712 C SER A 46 -11.450 -7.739 -3.260 1.00 0.00 C ATOM 713 O SER A 46 -12.674 -7.746 -3.439 1.00 0.00 O ATOM 714 CB SER A 46 -10.899 -8.861 -1.094 1.00 0.00 C ATOM 715 OG SER A 46 -10.413 -8.692 0.220 1.00 0.00 O ATOM 0 H SER A 46 -12.582 -6.948 -0.757 1.00 0.00 H new ATOM 0 HA SER A 46 -9.886 -7.144 -1.914 1.00 0.00 H new ATOM 0 HB2 SER A 46 -11.909 -9.271 -1.064 1.00 0.00 H new ATOM 0 HB3 SER A 46 -10.278 -9.581 -1.627 1.00 0.00 H new ATOM 0 HG SER A 46 -10.419 -9.555 0.684 1.00 0.00 H new ATOM 721 N PRO A 47 -10.596 -8.084 -4.239 1.00 0.00 N ATOM 722 CA PRO A 47 -9.159 -8.240 -4.074 1.00 0.00 C ATOM 723 C PRO A 47 -8.497 -6.881 -3.971 1.00 0.00 C ATOM 724 O PRO A 47 -8.841 -5.950 -4.698 1.00 0.00 O ATOM 725 CB PRO A 47 -8.681 -8.986 -5.302 1.00 0.00 C ATOM 726 CG PRO A 47 -9.675 -8.570 -6.386 1.00 0.00 C ATOM 727 CD PRO A 47 -10.974 -8.292 -5.628 1.00 0.00 C ATOM 0 HA PRO A 47 -8.909 -8.784 -3.163 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.660 -8.710 -5.567 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.688 -10.064 -5.144 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.331 -7.685 -6.922 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.808 -9.359 -7.126 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.479 -7.414 -6.030 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -11.666 -9.129 -5.722 1.00 0.00 H new ATOM 735 N VAL A 48 -7.588 -6.778 -3.010 1.00 0.00 N ATOM 736 CA VAL A 48 -7.075 -5.491 -2.611 1.00 0.00 C ATOM 737 C VAL A 48 -6.245 -4.939 -3.763 1.00 0.00 C ATOM 738 O VAL A 48 -5.361 -5.608 -4.317 1.00 0.00 O ATOM 739 CB VAL A 48 -6.356 -5.594 -1.261 1.00 0.00 C ATOM 740 CG1 VAL A 48 -5.727 -4.258 -0.853 1.00 0.00 C ATOM 741 CG2 VAL A 48 -7.304 -6.073 -0.147 1.00 0.00 C ATOM 0 H VAL A 48 -7.198 -7.570 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 48 -7.870 -4.769 -2.427 1.00 0.00 H new ATOM 0 HB VAL A 48 -5.564 -6.332 -1.390 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -5.226 -4.370 0.109 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -5.001 -3.952 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -6.505 -3.499 -0.771 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.758 -6.133 0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.129 -5.368 -0.043 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.697 -7.057 -0.402 1.00 0.00 H new ATOM 751 N GLU A 49 -6.579 -3.714 -4.145 1.00 0.00 N ATOM 752 CA GLU A 49 -5.930 -2.977 -5.198 1.00 0.00 C ATOM 753 C GLU A 49 -5.141 -1.865 -4.523 1.00 0.00 C ATOM 754 O GLU A 49 -5.635 -1.177 -3.629 1.00 0.00 O ATOM 755 CB GLU A 49 -6.970 -2.560 -6.256 1.00 0.00 C ATOM 756 CG GLU A 49 -7.057 -3.710 -7.277 1.00 0.00 C ATOM 757 CD GLU A 49 -7.976 -3.473 -8.481 1.00 0.00 C ATOM 758 OE1 GLU A 49 -9.171 -3.832 -8.401 1.00 0.00 O ATOM 759 OE2 GLU A 49 -7.510 -3.063 -9.576 1.00 0.00 O ATOM 0 H GLU A 49 -7.340 -3.195 -3.707 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.211 -3.557 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.940 -2.380 -5.793 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.673 -1.632 -6.744 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -6.053 -3.917 -7.647 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -7.396 -4.606 -6.757 1.00 0.00 H new ATOM 766 N PHE A 50 -3.860 -1.784 -4.880 1.00 0.00 N ATOM 767 CA PHE A 50 -2.857 -1.013 -4.172 1.00 0.00 C ATOM 768 C PHE A 50 -2.476 0.137 -5.072 1.00 0.00 C ATOM 769 O PHE A 50 -1.729 -0.063 -6.026 1.00 0.00 O ATOM 770 CB PHE A 50 -1.633 -1.883 -3.892 1.00 0.00 C ATOM 771 CG PHE A 50 -1.878 -3.042 -2.951 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.966 -2.805 -1.569 1.00 0.00 C ATOM 773 CD2 PHE A 50 -1.965 -4.358 -3.443 1.00 0.00 C ATOM 774 CE1 PHE A 50 -2.110 -3.883 -0.681 1.00 0.00 C ATOM 775 CE2 PHE A 50 -2.095 -5.429 -2.554 1.00 0.00 C ATOM 776 CZ PHE A 50 -2.168 -5.196 -1.170 1.00 0.00 C ATOM 0 H PHE A 50 -3.487 -2.270 -5.695 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.240 -0.653 -3.217 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.259 -2.275 -4.838 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.846 -1.255 -3.474 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -1.923 -1.795 -1.190 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.931 -4.540 -4.507 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.176 -3.701 0.381 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.140 -6.440 -2.932 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.268 -6.025 -0.485 1.00 0.00 H new ATOM 786 N HIS A 51 -3.057 1.306 -4.856 1.00 0.00 N ATOM 787 CA HIS A 51 -2.829 2.426 -5.752 1.00 0.00 C ATOM 788 C HIS A 51 -1.577 3.150 -5.296 1.00 0.00 C ATOM 789 O HIS A 51 -1.297 3.198 -4.105 1.00 0.00 O ATOM 790 CB HIS A 51 -4.021 3.387 -5.787 1.00 0.00 C ATOM 791 CG HIS A 51 -5.397 2.784 -5.629 1.00 0.00 C ATOM 792 ND1 HIS A 51 -5.766 1.528 -6.006 1.00 0.00 N flip ATOM 793 CD2 HIS A 51 -6.511 3.402 -5.103 1.00 0.00 C flip ATOM 794 CE1 HIS A 51 -7.118 1.365 -5.720 1.00 0.00 C flip ATOM 795 NE2 HIS A 51 -7.526 2.519 -5.165 1.00 0.00 N flip ATOM 0 H HIS A 51 -3.684 1.502 -4.076 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.705 2.048 -6.767 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.883 4.126 -4.998 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.994 3.925 -6.735 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.561 4.408 -4.713 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.719 0.487 -5.907 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -8.474 2.701 -4.836 1.00 0.00 H new ATOM 803 N LEU A 52 -0.856 3.785 -6.204 1.00 0.00 N ATOM 804 CA LEU A 52 0.195 4.742 -5.867 1.00 0.00 C ATOM 805 C LEU A 52 0.218 5.772 -6.973 1.00 0.00 C ATOM 806 O LEU A 52 0.099 5.405 -8.137 1.00 0.00 O ATOM 807 CB LEU A 52 1.551 4.032 -5.777 1.00 0.00 C ATOM 808 CG LEU A 52 2.771 4.968 -5.650 1.00 0.00 C ATOM 809 CD1 LEU A 52 2.724 5.929 -4.455 1.00 0.00 C ATOM 810 CD2 LEU A 52 4.030 4.114 -5.510 1.00 0.00 C ATOM 0 H LEU A 52 -0.982 3.652 -7.208 1.00 0.00 H new ATOM 0 HA LEU A 52 0.002 5.209 -4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.536 3.361 -4.918 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.679 3.412 -6.664 1.00 0.00 H new ATOM 0 HG LEU A 52 2.768 5.583 -6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.623 6.546 -4.449 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.845 6.569 -4.537 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.671 5.356 -3.529 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.901 4.763 -5.419 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.949 3.489 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.140 3.480 -6.390 1.00 0.00 H new ATOM 822 N ASP A 53 0.367 7.048 -6.621 1.00 0.00 N ATOM 823 CA ASP A 53 0.521 8.183 -7.535 1.00 0.00 C ATOM 824 C ASP A 53 -0.749 8.478 -8.343 1.00 0.00 C ATOM 825 O ASP A 53 -0.905 9.587 -8.852 1.00 0.00 O ATOM 826 CB ASP A 53 1.758 7.977 -8.427 1.00 0.00 C ATOM 827 CG ASP A 53 2.047 9.183 -9.311 1.00 0.00 C ATOM 828 OD1 ASP A 53 2.413 10.242 -8.757 1.00 0.00 O ATOM 829 OD2 ASP A 53 1.950 9.065 -10.555 1.00 0.00 O ATOM 0 H ASP A 53 0.385 7.335 -5.642 1.00 0.00 H new ATOM 0 HA ASP A 53 0.682 9.077 -6.932 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.625 7.775 -7.799 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.607 7.098 -9.054 1.00 0.00 H new ATOM 834 N GLY A 54 -1.706 7.550 -8.374 1.00 0.00 N ATOM 835 CA GLY A 54 -2.890 7.551 -9.212 1.00 0.00 C ATOM 836 C GLY A 54 -2.966 6.319 -10.125 1.00 0.00 C ATOM 837 O GLY A 54 -3.895 6.217 -10.927 1.00 0.00 O ATOM 0 H GLY A 54 -1.665 6.727 -7.773 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -3.778 7.586 -8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.897 8.453 -9.824 1.00 0.00 H new ATOM 841 N GLU A 55 -2.023 5.379 -10.009 1.00 0.00 N ATOM 842 CA GLU A 55 -1.966 4.124 -10.734 1.00 0.00 C ATOM 843 C GLU A 55 -2.225 2.996 -9.749 1.00 0.00 C ATOM 844 O GLU A 55 -1.500 2.821 -8.776 1.00 0.00 O ATOM 845 CB GLU A 55 -0.592 3.975 -11.405 1.00 0.00 C ATOM 846 CG GLU A 55 -0.640 4.646 -12.778 1.00 0.00 C ATOM 847 CD GLU A 55 0.735 4.916 -13.391 1.00 0.00 C ATOM 848 OE1 GLU A 55 1.610 4.017 -13.367 1.00 0.00 O ATOM 849 OE2 GLU A 55 0.946 6.047 -13.895 1.00 0.00 O ATOM 0 H GLU A 55 -1.238 5.488 -9.367 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.722 4.095 -11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.181 4.433 -10.788 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.335 2.921 -11.509 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.212 4.015 -13.459 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.178 5.590 -12.690 1.00 0.00 H new ATOM 856 N VAL A 56 -3.285 2.238 -9.990 1.00 0.00 N ATOM 857 CA VAL A 56 -3.537 0.966 -9.329 1.00 0.00 C ATOM 858 C VAL A 56 -2.436 -0.013 -9.751 1.00 0.00 C ATOM 859 O VAL A 56 -2.252 -0.227 -10.953 1.00 0.00 O ATOM 860 CB VAL A 56 -4.944 0.449 -9.674 1.00 0.00 C ATOM 861 CG1 VAL A 56 -5.257 -0.798 -8.849 1.00 0.00 C ATOM 862 CG2 VAL A 56 -6.013 1.542 -9.479 1.00 0.00 C ATOM 0 H VAL A 56 -4.007 2.495 -10.663 1.00 0.00 H new ATOM 0 HA VAL A 56 -3.511 1.081 -8.245 1.00 0.00 H new ATOM 0 HB VAL A 56 -4.963 0.178 -10.730 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -6.255 -1.158 -9.099 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -4.525 -1.574 -9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -5.215 -0.552 -7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -6.994 1.141 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -6.012 1.870 -8.440 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -5.789 2.389 -10.127 1.00 0.00 H new ATOM 872 N LEU A 57 -1.712 -0.571 -8.776 1.00 0.00 N ATOM 873 CA LEU A 57 -0.591 -1.494 -8.954 1.00 0.00 C ATOM 874 C LEU A 57 -1.037 -2.924 -8.617 1.00 0.00 C ATOM 875 O LEU A 57 -2.129 -3.117 -8.067 1.00 0.00 O ATOM 876 CB LEU A 57 0.590 -1.083 -8.051 1.00 0.00 C ATOM 877 CG LEU A 57 0.902 0.431 -7.971 1.00 0.00 C ATOM 878 CD1 LEU A 57 1.957 0.673 -6.881 1.00 0.00 C ATOM 879 CD2 LEU A 57 1.315 1.017 -9.330 1.00 0.00 C ATOM 0 H LEU A 57 -1.903 -0.380 -7.792 1.00 0.00 H new ATOM 0 HA LEU A 57 -0.265 -1.456 -9.993 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.390 -1.444 -7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.484 -1.598 -8.403 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.010 0.962 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.180 1.738 -6.821 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.574 0.328 -5.921 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.867 0.125 -7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.523 2.081 -9.219 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.209 0.508 -9.689 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.506 0.878 -10.047 1.00 0.00 H new ATOM 891 N SER A 58 -0.214 -3.937 -8.922 1.00 0.00 N ATOM 892 CA SER A 58 -0.433 -5.294 -8.405 1.00 0.00 C ATOM 893 C SER A 58 0.335 -5.475 -7.110 1.00 0.00 C ATOM 894 O SER A 58 1.225 -4.690 -6.806 1.00 0.00 O ATOM 895 CB SER A 58 -0.010 -6.385 -9.389 1.00 0.00 C ATOM 896 OG SER A 58 -0.724 -7.575 -9.139 1.00 0.00 O ATOM 0 H SER A 58 0.606 -3.843 -9.521 1.00 0.00 H new ATOM 0 HA SER A 58 -1.506 -5.399 -8.242 1.00 0.00 H new ATOM 0 HB2 SER A 58 -0.191 -6.052 -10.411 1.00 0.00 H new ATOM 0 HB3 SER A 58 1.060 -6.570 -9.299 1.00 0.00 H new ATOM 0 HG SER A 58 -0.445 -8.264 -9.777 1.00 0.00 H new ATOM 902 N LEU A 59 0.048 -6.557 -6.395 1.00 0.00 N ATOM 903 CA LEU A 59 0.717 -6.901 -5.144 1.00 0.00 C ATOM 904 C LEU A 59 2.178 -7.266 -5.404 1.00 0.00 C ATOM 905 O LEU A 59 3.077 -6.869 -4.665 1.00 0.00 O ATOM 906 CB LEU A 59 -0.005 -8.085 -4.492 1.00 0.00 C ATOM 907 CG LEU A 59 0.721 -8.636 -3.247 1.00 0.00 C ATOM 908 CD1 LEU A 59 0.875 -7.610 -2.122 1.00 0.00 C ATOM 909 CD2 LEU A 59 0.002 -9.873 -2.714 1.00 0.00 C ATOM 0 H LEU A 59 -0.666 -7.230 -6.672 1.00 0.00 H new ATOM 0 HA LEU A 59 0.687 -6.040 -4.476 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -1.011 -7.776 -4.209 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.111 -8.885 -5.225 1.00 0.00 H new ATOM 0 HG LEU A 59 1.726 -8.896 -3.579 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.394 -8.068 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 59 1.451 -6.758 -2.483 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.110 -7.272 -1.800 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.527 -10.249 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.020 -9.610 -2.441 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.015 -10.644 -3.484 1.00 0.00 H new ATOM 921 N ASP A 60 2.417 -8.083 -6.427 1.00 0.00 N ATOM 922 CA ASP A 60 3.764 -8.567 -6.734 1.00 0.00 C ATOM 923 C ASP A 60 4.590 -7.400 -7.258 1.00 0.00 C ATOM 924 O ASP A 60 5.730 -7.204 -6.832 1.00 0.00 O ATOM 925 CB ASP A 60 3.687 -9.726 -7.750 1.00 0.00 C ATOM 926 CG ASP A 60 4.303 -11.060 -7.293 1.00 0.00 C ATOM 927 OD1 ASP A 60 4.636 -11.227 -6.098 1.00 0.00 O ATOM 928 OD2 ASP A 60 4.385 -11.991 -8.127 1.00 0.00 O ATOM 0 H ASP A 60 1.694 -8.426 -7.060 1.00 0.00 H new ATOM 0 HA ASP A 60 4.247 -8.958 -5.838 1.00 0.00 H new ATOM 0 HB2 ASP A 60 2.640 -9.897 -7.998 1.00 0.00 H new ATOM 0 HB3 ASP A 60 4.185 -9.413 -8.668 1.00 0.00 H new ATOM 933 N LYS A 61 3.986 -6.569 -8.118 1.00 0.00 N ATOM 934 CA LYS A 61 4.629 -5.362 -8.615 1.00 0.00 C ATOM 935 C LYS A 61 4.940 -4.438 -7.453 1.00 0.00 C ATOM 936 O LYS A 61 6.075 -4.004 -7.340 1.00 0.00 O ATOM 937 CB LYS A 61 3.774 -4.636 -9.675 1.00 0.00 C ATOM 938 CG LYS A 61 4.460 -4.607 -11.055 1.00 0.00 C ATOM 939 CD LYS A 61 4.340 -3.227 -11.710 1.00 0.00 C ATOM 940 CE LYS A 61 4.849 -3.272 -13.153 1.00 0.00 C ATOM 941 NZ LYS A 61 5.053 -1.918 -13.709 1.00 0.00 N ATOM 0 H LYS A 61 3.045 -6.719 -8.482 1.00 0.00 H new ATOM 0 HA LYS A 61 5.556 -5.655 -9.108 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.807 -5.132 -9.762 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.580 -3.615 -9.346 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.512 -4.869 -10.945 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.010 -5.359 -11.703 1.00 0.00 H new ATOM 0 HD2 LYS A 61 3.300 -2.900 -11.695 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.912 -2.496 -11.139 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.788 -3.824 -13.189 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.135 -3.815 -13.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 5.398 -1.993 -14.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.152 -1.399 -13.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.753 -1.408 -13.133 1.00 0.00 H new ATOM 955 N LEU A 62 3.967 -4.150 -6.588 1.00 0.00 N ATOM 956 CA LEU A 62 4.096 -3.261 -5.443 1.00 0.00 C ATOM 957 C LEU A 62 5.380 -3.552 -4.681 1.00 0.00 C ATOM 958 O LEU A 62 6.188 -2.649 -4.507 1.00 0.00 O ATOM 959 CB LEU A 62 2.862 -3.403 -4.549 1.00 0.00 C ATOM 960 CG LEU A 62 2.883 -2.555 -3.275 1.00 0.00 C ATOM 961 CD1 LEU A 62 2.865 -1.054 -3.590 1.00 0.00 C ATOM 962 CD2 LEU A 62 1.648 -2.899 -2.448 1.00 0.00 C ATOM 0 H LEU A 62 3.032 -4.548 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 62 4.155 -2.228 -5.787 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.979 -3.137 -5.130 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.755 -4.451 -4.268 1.00 0.00 H new ATOM 0 HG LEU A 62 3.801 -2.774 -2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.881 -0.487 -2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.740 -0.797 -4.187 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.961 -0.810 -4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 62 1.645 -2.304 -1.535 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.750 -2.681 -3.027 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.666 -3.958 -2.191 1.00 0.00 H new ATOM 974 N LYS A 63 5.620 -4.802 -4.279 1.00 0.00 N ATOM 975 CA LYS A 63 6.815 -5.143 -3.507 1.00 0.00 C ATOM 976 C LYS A 63 8.109 -4.745 -4.230 1.00 0.00 C ATOM 977 O LYS A 63 9.057 -4.291 -3.589 1.00 0.00 O ATOM 978 CB LYS A 63 6.808 -6.648 -3.170 1.00 0.00 C ATOM 979 CG LYS A 63 5.650 -7.043 -2.236 1.00 0.00 C ATOM 980 CD LYS A 63 5.536 -8.566 -2.078 1.00 0.00 C ATOM 981 CE LYS A 63 4.285 -8.912 -1.260 1.00 0.00 C ATOM 982 NZ LYS A 63 4.077 -10.369 -1.101 1.00 0.00 N ATOM 0 H LYS A 63 5.005 -5.592 -4.475 1.00 0.00 H new ATOM 0 HA LYS A 63 6.789 -4.569 -2.581 1.00 0.00 H new ATOM 0 HB2 LYS A 63 6.736 -7.222 -4.094 1.00 0.00 H new ATOM 0 HB3 LYS A 63 7.755 -6.915 -2.701 1.00 0.00 H new ATOM 0 HG2 LYS A 63 5.801 -6.587 -1.258 1.00 0.00 H new ATOM 0 HG3 LYS A 63 4.714 -6.648 -2.631 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.483 -9.039 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS A 63 6.425 -8.957 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 63 4.365 -8.453 -0.274 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.410 -8.477 -1.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.218 -10.538 -0.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.971 -10.809 -2.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.896 -10.785 -0.613 1.00 0.00 H new ATOM 996 N SER A 64 8.135 -4.870 -5.557 1.00 0.00 N ATOM 997 CA SER A 64 9.212 -4.377 -6.404 1.00 0.00 C ATOM 998 C SER A 64 9.236 -2.839 -6.392 1.00 0.00 C ATOM 999 O SER A 64 10.281 -2.237 -6.169 1.00 0.00 O ATOM 1000 CB SER A 64 9.024 -4.931 -7.825 1.00 0.00 C ATOM 1001 OG SER A 64 10.161 -4.722 -8.632 1.00 0.00 O ATOM 0 H SER A 64 7.389 -5.328 -6.081 1.00 0.00 H new ATOM 0 HA SER A 64 10.174 -4.719 -6.023 1.00 0.00 H new ATOM 0 HB2 SER A 64 8.809 -5.998 -7.772 1.00 0.00 H new ATOM 0 HB3 SER A 64 8.160 -4.455 -8.288 1.00 0.00 H new ATOM 0 HG SER A 64 10.000 -5.090 -9.526 1.00 0.00 H new ATOM 1007 N LEU A 65 8.105 -2.176 -6.646 1.00 0.00 N ATOM 1008 CA LEU A 65 8.001 -0.721 -6.802 1.00 0.00 C ATOM 1009 C LEU A 65 8.342 0.049 -5.526 1.00 0.00 C ATOM 1010 O LEU A 65 8.735 1.215 -5.597 1.00 0.00 O ATOM 1011 CB LEU A 65 6.578 -0.327 -7.241 1.00 0.00 C ATOM 1012 CG LEU A 65 6.091 -0.865 -8.601 1.00 0.00 C ATOM 1013 CD1 LEU A 65 4.723 -0.267 -8.900 1.00 0.00 C ATOM 1014 CD2 LEU A 65 7.080 -0.569 -9.728 1.00 0.00 C ATOM 0 H LEU A 65 7.208 -2.650 -6.752 1.00 0.00 H new ATOM 0 HA LEU A 65 8.732 -0.451 -7.564 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.881 -0.665 -6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 65 6.521 0.761 -7.267 1.00 0.00 H new ATOM 0 HG LEU A 65 6.016 -1.951 -8.541 1.00 0.00 H new ATOM 0 HD11 LEU A 65 4.365 -0.639 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 65 4.022 -0.553 -8.116 1.00 0.00 H new ATOM 0 HD13 LEU A 65 4.801 0.820 -8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 65 6.693 -0.967 -10.666 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.215 0.509 -9.820 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.038 -1.037 -9.503 1.00 0.00 H new ATOM 1026 N LEU A 66 8.144 -0.563 -4.361 1.00 0.00 N ATOM 1027 CA LEU A 66 8.476 0.008 -3.057 1.00 0.00 C ATOM 1028 C LEU A 66 9.976 -0.013 -2.808 1.00 0.00 C ATOM 1029 O LEU A 66 10.456 0.810 -2.021 1.00 0.00 O ATOM 1030 CB LEU A 66 7.750 -0.770 -1.961 1.00 0.00 C ATOM 1031 CG LEU A 66 6.222 -0.610 -2.037 1.00 0.00 C ATOM 1032 CD1 LEU A 66 5.551 -1.594 -1.092 1.00 0.00 C ATOM 1033 CD2 LEU A 66 5.706 0.778 -1.704 1.00 0.00 C ATOM 0 H LEU A 66 7.737 -1.496 -4.296 1.00 0.00 H new ATOM 0 HA LEU A 66 8.152 1.049 -3.045 1.00 0.00 H new ATOM 0 HB2 LEU A 66 8.006 -1.827 -2.040 1.00 0.00 H new ATOM 0 HB3 LEU A 66 8.099 -0.430 -0.986 1.00 0.00 H new ATOM 0 HG LEU A 66 5.973 -0.801 -3.081 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.469 -1.475 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 66 5.820 -2.612 -1.375 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.882 -1.402 -0.071 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.619 0.791 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.997 1.040 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.131 1.501 -2.401 1.00 0.00 H new ATOM 1045 N SER A 67 10.706 -0.923 -3.463 1.00 0.00 N ATOM 1046 CA SER A 67 12.158 -0.833 -3.507 1.00 0.00 C ATOM 1047 C SER A 67 12.559 0.500 -4.149 1.00 0.00 C ATOM 1048 O SER A 67 13.620 1.029 -3.768 1.00 0.00 O ATOM 1049 CB SER A 67 12.750 -2.050 -4.231 1.00 0.00 C ATOM 1050 OG SER A 67 14.152 -2.129 -4.057 1.00 0.00 O ATOM 0 H SER A 67 10.314 -1.721 -3.963 1.00 0.00 H new ATOM 0 HA SER A 67 12.569 -0.850 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 67 12.284 -2.960 -3.854 1.00 0.00 H new ATOM 0 HB3 SER A 67 12.518 -1.990 -5.294 1.00 0.00 H new ATOM 0 HG SER A 67 14.496 -2.916 -4.529 1.00 0.00 H new