USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 424 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 58 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 59 ASN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Set 2.1: A 18 SER OG : rot -122:sc= 0.546 USER MOD Set 2.2: A 25 SER OG : rot 161:sc= -0.305 USER MOD Single : A 9 THR OG1 : rot 33:sc= 0.214 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 30:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.26 F(o=-1.7,f=-0.26) USER MOD Single : A 36 ASN : amide:sc= -0.234 K(o=-0.23,f=-1.3!) USER MOD Single : A 37 ASN : amide:sc= -1.58 X(o=-1.6,f=-1.5!) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS :FLIP no HE2:sc= -0.0311 F(o=-0.78,f=-0.031) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -130:sc= 0.128 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.46 K(o=-0.46,f=-1.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= -1.2! USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 9 16.195 14.062 -4.147 1.00 0.00 N ATOM 2 CA THR A 9 15.147 14.312 -3.117 1.00 0.00 C ATOM 3 C THR A 9 13.986 13.337 -3.325 1.00 0.00 C ATOM 4 O THR A 9 12.871 13.734 -3.599 1.00 0.00 O ATOM 5 CB THR A 9 14.638 15.749 -3.246 1.00 0.00 C ATOM 6 OG1 THR A 9 15.741 16.644 -3.227 1.00 0.00 O ATOM 7 CG2 THR A 9 13.701 16.066 -2.078 1.00 0.00 C ATOM 0 HA THR A 9 15.570 14.165 -2.123 1.00 0.00 H new ATOM 0 HB THR A 9 14.096 15.860 -4.185 1.00 0.00 H new ATOM 0 HG1 THR A 9 16.516 16.217 -3.648 1.00 0.00 H new ATOM 0 HG21 THR A 9 13.338 17.090 -2.170 1.00 0.00 H new ATOM 0 HG22 THR A 9 12.855 15.379 -2.093 1.00 0.00 H new ATOM 0 HG23 THR A 9 14.241 15.956 -1.138 1.00 0.00 H new ATOM 17 N PHE A 10 14.240 12.064 -3.195 1.00 0.00 N ATOM 18 CA PHE A 10 13.153 11.062 -3.383 1.00 0.00 C ATOM 19 C PHE A 10 12.939 10.295 -2.076 1.00 0.00 C ATOM 20 O PHE A 10 13.436 10.678 -1.036 1.00 0.00 O ATOM 21 CB PHE A 10 13.549 10.083 -4.493 1.00 0.00 C ATOM 22 CG PHE A 10 13.104 10.637 -5.848 1.00 0.00 C ATOM 23 CD1 PHE A 10 13.820 11.650 -6.461 1.00 0.00 C ATOM 24 CD2 PHE A 10 11.984 10.128 -6.479 1.00 0.00 C ATOM 25 CE1 PHE A 10 13.421 12.146 -7.685 1.00 0.00 C ATOM 26 CE2 PHE A 10 11.584 10.625 -7.703 1.00 0.00 C ATOM 27 CZ PHE A 10 12.303 11.634 -8.306 1.00 0.00 C ATOM 0 H PHE A 10 15.154 11.674 -2.966 1.00 0.00 H new ATOM 0 HA PHE A 10 12.230 11.571 -3.661 1.00 0.00 H new ATOM 0 HB2 PHE A 10 14.628 9.929 -4.488 1.00 0.00 H new ATOM 0 HB3 PHE A 10 13.088 9.111 -4.317 1.00 0.00 H new ATOM 0 HD1 PHE A 10 14.697 12.055 -5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 10 11.418 9.336 -6.011 1.00 0.00 H new ATOM 0 HE1 PHE A 10 13.986 12.936 -8.157 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.707 10.223 -8.188 1.00 0.00 H new ATOM 0 HZ PHE A 10 11.991 12.023 -9.264 1.00 0.00 H new ATOM 37 N VAL A 11 12.204 9.218 -2.118 1.00 0.00 N ATOM 38 CA VAL A 11 11.964 8.432 -0.875 1.00 0.00 C ATOM 39 C VAL A 11 11.876 6.946 -1.226 1.00 0.00 C ATOM 40 O VAL A 11 11.103 6.544 -2.072 1.00 0.00 O ATOM 41 CB VAL A 11 10.652 8.882 -0.228 1.00 0.00 C ATOM 42 CG1 VAL A 11 10.597 8.375 1.215 1.00 0.00 C ATOM 43 CG2 VAL A 11 10.580 10.410 -0.235 1.00 0.00 C ATOM 0 H VAL A 11 11.760 8.848 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 11 12.785 8.596 -0.177 1.00 0.00 H new ATOM 0 HB VAL A 11 9.810 8.476 -0.789 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.663 8.695 1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.651 7.286 1.220 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.438 8.783 1.776 1.00 0.00 H new ATOM 0 HG21 VAL A 11 9.646 10.732 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.421 10.816 0.327 1.00 0.00 H new ATOM 0 HG23 VAL A 11 10.622 10.772 -1.262 1.00 0.00 H new ATOM 53 N ALA A 12 12.658 6.126 -0.580 1.00 0.00 N ATOM 54 CA ALA A 12 12.613 4.670 -0.883 1.00 0.00 C ATOM 55 C ALA A 12 11.267 4.094 -0.442 1.00 0.00 C ATOM 56 O ALA A 12 11.109 3.620 0.664 1.00 0.00 O ATOM 57 CB ALA A 12 13.748 3.957 -0.145 1.00 0.00 C ATOM 0 H ALA A 12 13.324 6.401 0.142 1.00 0.00 H new ATOM 0 HA ALA A 12 12.732 4.520 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 12 13.714 2.891 -0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 12 14.705 4.365 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 12 13.635 4.107 0.929 1.00 0.00 H new ATOM 63 N LEU A 13 10.298 4.139 -1.306 1.00 0.00 N ATOM 64 CA LEU A 13 8.952 3.604 -0.971 1.00 0.00 C ATOM 65 C LEU A 13 9.066 2.154 -0.508 1.00 0.00 C ATOM 66 O LEU A 13 8.166 1.617 0.107 1.00 0.00 O ATOM 67 CB LEU A 13 8.082 3.642 -2.226 1.00 0.00 C ATOM 68 CG LEU A 13 7.210 4.893 -2.217 1.00 0.00 C ATOM 69 CD1 LEU A 13 6.243 4.833 -3.399 1.00 0.00 C ATOM 70 CD2 LEU A 13 6.417 4.952 -0.910 1.00 0.00 C ATOM 0 H LEU A 13 10.381 4.529 -2.245 1.00 0.00 H new ATOM 0 HA LEU A 13 8.513 4.208 -0.177 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.712 3.634 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 13 7.455 2.752 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 13 7.837 5.781 -2.298 1.00 0.00 H new ATOM 0 HD11 LEU A 13 5.615 5.724 -3.401 1.00 0.00 H new ATOM 0 HD12 LEU A 13 6.808 4.786 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.615 3.947 -3.311 1.00 0.00 H new ATOM 0 HD21 LEU A 13 5.793 5.846 -0.903 1.00 0.00 H new ATOM 0 HD22 LEU A 13 5.785 4.068 -0.828 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.107 4.984 -0.067 1.00 0.00 H new ATOM 82 N TYR A 14 10.161 1.514 -0.795 1.00 0.00 N ATOM 83 CA TYR A 14 10.315 0.098 -0.370 1.00 0.00 C ATOM 84 C TYR A 14 11.772 -0.199 -0.016 1.00 0.00 C ATOM 85 O TYR A 14 12.622 0.670 -0.041 1.00 0.00 O ATOM 86 CB TYR A 14 9.896 -0.789 -1.532 1.00 0.00 C ATOM 87 CG TYR A 14 8.387 -0.722 -1.700 1.00 0.00 C ATOM 88 CD1 TYR A 14 7.806 0.367 -2.308 1.00 0.00 C ATOM 89 CD2 TYR A 14 7.589 -1.744 -1.243 1.00 0.00 C ATOM 90 CE1 TYR A 14 6.436 0.435 -2.459 1.00 0.00 C ATOM 91 CE2 TYR A 14 6.219 -1.681 -1.391 1.00 0.00 C ATOM 92 CZ TYR A 14 5.631 -0.590 -2.001 1.00 0.00 C ATOM 93 OH TYR A 14 4.260 -0.525 -2.149 1.00 0.00 O ATOM 0 H TYR A 14 10.953 1.907 -1.303 1.00 0.00 H new ATOM 0 HA TYR A 14 9.698 -0.090 0.509 1.00 0.00 H new ATOM 0 HB2 TYR A 14 10.390 -0.464 -2.448 1.00 0.00 H new ATOM 0 HB3 TYR A 14 10.207 -1.818 -1.349 1.00 0.00 H new ATOM 0 HD1 TYR A 14 8.426 1.174 -2.669 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.038 -2.602 -0.765 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.991 1.294 -2.938 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.602 -2.490 -1.028 1.00 0.00 H new ATOM 0 HH TYR A 14 3.852 -1.332 -1.771 1.00 0.00 H new ATOM 103 N ASP A 15 12.061 -1.429 0.314 1.00 0.00 N ATOM 104 CA ASP A 15 13.457 -1.803 0.671 1.00 0.00 C ATOM 105 C ASP A 15 13.975 -2.815 -0.354 1.00 0.00 C ATOM 106 O ASP A 15 14.348 -3.920 -0.013 1.00 0.00 O ATOM 107 CB ASP A 15 13.480 -2.428 2.066 1.00 0.00 C ATOM 108 CG ASP A 15 12.413 -3.520 2.157 1.00 0.00 C ATOM 109 OD1 ASP A 15 12.217 -4.213 1.170 1.00 0.00 O ATOM 110 OD2 ASP A 15 11.811 -3.648 3.210 1.00 0.00 O ATOM 0 H ASP A 15 11.386 -2.193 0.351 1.00 0.00 H new ATOM 0 HA ASP A 15 14.090 -0.916 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 15 14.464 -2.849 2.270 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.297 -1.663 2.821 1.00 0.00 H new ATOM 115 N TYR A 16 13.986 -2.443 -1.608 1.00 0.00 N ATOM 116 CA TYR A 16 14.476 -3.368 -2.676 1.00 0.00 C ATOM 117 C TYR A 16 15.671 -4.179 -2.164 1.00 0.00 C ATOM 118 O TYR A 16 16.676 -3.635 -1.754 1.00 0.00 O ATOM 119 CB TYR A 16 14.895 -2.539 -3.898 1.00 0.00 C ATOM 120 CG TYR A 16 15.822 -3.356 -4.807 1.00 0.00 C ATOM 121 CD1 TYR A 16 15.308 -4.327 -5.642 1.00 0.00 C ATOM 122 CD2 TYR A 16 17.182 -3.120 -4.813 1.00 0.00 C ATOM 123 CE1 TYR A 16 16.142 -5.048 -6.473 1.00 0.00 C ATOM 124 CE2 TYR A 16 18.016 -3.840 -5.645 1.00 0.00 C ATOM 125 CZ TYR A 16 17.502 -4.810 -6.480 1.00 0.00 C ATOM 126 OH TYR A 16 18.335 -5.532 -7.311 1.00 0.00 O ATOM 0 H TYR A 16 13.674 -1.531 -1.941 1.00 0.00 H new ATOM 0 HA TYR A 16 13.680 -4.059 -2.953 1.00 0.00 H new ATOM 0 HB2 TYR A 16 14.011 -2.228 -4.455 1.00 0.00 H new ATOM 0 HB3 TYR A 16 15.402 -1.631 -3.573 1.00 0.00 H new ATOM 0 HD1 TYR A 16 14.246 -4.524 -5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 16 17.597 -2.366 -4.161 1.00 0.00 H new ATOM 0 HE1 TYR A 16 15.727 -5.804 -7.123 1.00 0.00 H new ATOM 0 HE2 TYR A 16 19.078 -3.642 -5.642 1.00 0.00 H new ATOM 0 HH TYR A 16 17.845 -5.794 -8.118 1.00 0.00 H new ATOM 136 N GLU A 17 15.563 -5.481 -2.187 1.00 0.00 N ATOM 137 CA GLU A 17 16.686 -6.332 -1.706 1.00 0.00 C ATOM 138 C GLU A 17 17.644 -6.604 -2.868 1.00 0.00 C ATOM 139 O GLU A 17 17.229 -6.801 -3.993 1.00 0.00 O ATOM 140 CB GLU A 17 16.135 -7.657 -1.177 1.00 0.00 C ATOM 141 CG GLU A 17 15.181 -7.386 -0.011 1.00 0.00 C ATOM 142 CD GLU A 17 15.972 -7.367 1.300 1.00 0.00 C ATOM 143 OE1 GLU A 17 16.841 -6.521 1.432 1.00 0.00 O ATOM 144 OE2 GLU A 17 15.693 -8.199 2.148 1.00 0.00 O ATOM 0 H GLU A 17 14.744 -5.991 -2.519 1.00 0.00 H new ATOM 0 HA GLU A 17 17.217 -5.818 -0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.612 -8.189 -1.972 1.00 0.00 H new ATOM 0 HB3 GLU A 17 16.953 -8.298 -0.849 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.674 -6.432 -0.156 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.409 -8.155 0.028 1.00 0.00 H new ATOM 151 N SER A 18 18.923 -6.616 -2.608 1.00 0.00 N ATOM 152 CA SER A 18 19.901 -6.874 -3.695 1.00 0.00 C ATOM 153 C SER A 18 19.957 -8.372 -3.996 1.00 0.00 C ATOM 154 O SER A 18 20.539 -9.141 -3.257 1.00 0.00 O ATOM 155 CB SER A 18 21.280 -6.392 -3.245 1.00 0.00 C ATOM 156 OG SER A 18 21.656 -7.072 -2.056 1.00 0.00 O ATOM 0 H SER A 18 19.331 -6.458 -1.687 1.00 0.00 H new ATOM 0 HA SER A 18 19.597 -6.341 -4.596 1.00 0.00 H new ATOM 0 HB2 SER A 18 22.015 -6.576 -4.029 1.00 0.00 H new ATOM 0 HB3 SER A 18 21.262 -5.316 -3.071 1.00 0.00 H new ATOM 0 HG SER A 18 21.832 -6.419 -1.347 1.00 0.00 H new ATOM 162 N ARG A 19 19.357 -8.794 -5.075 1.00 0.00 N ATOM 163 CA ARG A 19 19.380 -10.243 -5.419 1.00 0.00 C ATOM 164 C ARG A 19 20.718 -10.582 -6.076 1.00 0.00 C ATOM 165 O ARG A 19 21.086 -11.733 -6.205 1.00 0.00 O ATOM 166 CB ARG A 19 18.240 -10.558 -6.388 1.00 0.00 C ATOM 167 CG ARG A 19 16.903 -10.185 -5.743 1.00 0.00 C ATOM 168 CD ARG A 19 15.879 -9.874 -6.837 1.00 0.00 C ATOM 169 NE ARG A 19 14.610 -10.601 -6.551 1.00 0.00 N ATOM 170 CZ ARG A 19 13.786 -10.146 -5.647 1.00 0.00 C ATOM 171 NH1 ARG A 19 14.037 -10.338 -4.381 1.00 0.00 N ATOM 172 NH2 ARG A 19 12.714 -9.497 -6.009 1.00 0.00 N ATOM 0 H ARG A 19 18.853 -8.199 -5.732 1.00 0.00 H new ATOM 0 HA ARG A 19 19.256 -10.836 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 19 18.375 -10.004 -7.317 1.00 0.00 H new ATOM 0 HB3 ARG A 19 18.249 -11.617 -6.645 1.00 0.00 H new ATOM 0 HG2 ARG A 19 16.547 -11.004 -5.119 1.00 0.00 H new ATOM 0 HG3 ARG A 19 17.030 -9.320 -5.092 1.00 0.00 H new ATOM 0 HD2 ARG A 19 15.694 -8.801 -6.882 1.00 0.00 H new ATOM 0 HD3 ARG A 19 16.269 -10.171 -7.810 1.00 0.00 H new ATOM 0 HE ARG A 19 14.385 -11.455 -7.062 1.00 0.00 H new ATOM 0 HH11 ARG A 19 14.877 -10.843 -4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 19 13.393 -9.983 -3.674 1.00 0.00 H new ATOM 0 HH21 ARG A 19 12.520 -9.345 -6.999 1.00 0.00 H new ATOM 0 HH22 ARG A 19 12.070 -9.141 -5.302 1.00 0.00 H new ATOM 186 N THR A 20 21.450 -9.585 -6.494 1.00 0.00 N ATOM 187 CA THR A 20 22.765 -9.843 -7.143 1.00 0.00 C ATOM 188 C THR A 20 23.771 -8.783 -6.687 1.00 0.00 C ATOM 189 O THR A 20 23.448 -7.897 -5.921 1.00 0.00 O ATOM 190 CB THR A 20 22.605 -9.775 -8.664 1.00 0.00 C ATOM 191 OG1 THR A 20 21.248 -9.503 -8.984 1.00 0.00 O ATOM 192 CG2 THR A 20 23.019 -11.111 -9.282 1.00 0.00 C ATOM 0 H THR A 20 21.192 -8.601 -6.413 1.00 0.00 H new ATOM 0 HA THR A 20 23.124 -10.833 -6.861 1.00 0.00 H new ATOM 0 HB THR A 20 23.238 -8.982 -9.061 1.00 0.00 H new ATOM 0 HG1 THR A 20 21.144 -9.457 -9.957 1.00 0.00 H new ATOM 0 HG21 THR A 20 22.905 -11.062 -10.365 1.00 0.00 H new ATOM 0 HG22 THR A 20 24.060 -11.319 -9.036 1.00 0.00 H new ATOM 0 HG23 THR A 20 22.387 -11.906 -8.886 1.00 0.00 H new ATOM 200 N GLU A 21 24.987 -8.865 -7.153 1.00 0.00 N ATOM 201 CA GLU A 21 26.010 -7.863 -6.746 1.00 0.00 C ATOM 202 C GLU A 21 25.957 -6.662 -7.693 1.00 0.00 C ATOM 203 O GLU A 21 26.894 -5.896 -7.792 1.00 0.00 O ATOM 204 CB GLU A 21 27.398 -8.503 -6.812 1.00 0.00 C ATOM 205 CG GLU A 21 27.520 -9.336 -8.090 1.00 0.00 C ATOM 206 CD GLU A 21 27.320 -10.815 -7.757 1.00 0.00 C ATOM 207 OE1 GLU A 21 27.113 -11.117 -6.593 1.00 0.00 O ATOM 208 OE2 GLU A 21 27.377 -11.621 -8.672 1.00 0.00 O ATOM 0 H GLU A 21 25.316 -9.583 -7.798 1.00 0.00 H new ATOM 0 HA GLU A 21 25.808 -7.529 -5.728 1.00 0.00 H new ATOM 0 HB2 GLU A 21 28.167 -7.730 -6.795 1.00 0.00 H new ATOM 0 HB3 GLU A 21 27.560 -9.134 -5.938 1.00 0.00 H new ATOM 0 HG2 GLU A 21 26.777 -9.013 -8.819 1.00 0.00 H new ATOM 0 HG3 GLU A 21 28.499 -9.184 -8.544 1.00 0.00 H new ATOM 215 N THR A 22 24.865 -6.490 -8.389 1.00 0.00 N ATOM 216 CA THR A 22 24.756 -5.338 -9.328 1.00 0.00 C ATOM 217 C THR A 22 24.166 -4.129 -8.596 1.00 0.00 C ATOM 218 O THR A 22 24.729 -3.054 -8.603 1.00 0.00 O ATOM 219 CB THR A 22 23.845 -5.719 -10.498 1.00 0.00 C ATOM 220 OG1 THR A 22 24.052 -7.085 -10.830 1.00 0.00 O ATOM 221 CG2 THR A 22 24.171 -4.841 -11.707 1.00 0.00 C ATOM 0 H THR A 22 24.046 -7.096 -8.348 1.00 0.00 H new ATOM 0 HA THR A 22 25.747 -5.084 -9.704 1.00 0.00 H new ATOM 0 HB THR A 22 22.804 -5.568 -10.214 1.00 0.00 H new ATOM 0 HG1 THR A 22 23.469 -7.332 -11.578 1.00 0.00 H new ATOM 0 HG21 THR A 22 23.522 -5.113 -12.540 1.00 0.00 H new ATOM 0 HG22 THR A 22 24.012 -3.794 -11.450 1.00 0.00 H new ATOM 0 HG23 THR A 22 25.212 -4.990 -11.995 1.00 0.00 H new ATOM 229 N ASP A 23 23.035 -4.297 -7.967 1.00 0.00 N ATOM 230 CA ASP A 23 22.414 -3.154 -7.239 1.00 0.00 C ATOM 231 C ASP A 23 22.453 -3.420 -5.735 1.00 0.00 C ATOM 232 O ASP A 23 22.166 -4.508 -5.275 1.00 0.00 O ATOM 233 CB ASP A 23 20.957 -2.990 -7.684 1.00 0.00 C ATOM 234 CG ASP A 23 20.802 -3.446 -9.137 1.00 0.00 C ATOM 235 OD1 ASP A 23 21.112 -4.593 -9.414 1.00 0.00 O ATOM 236 OD2 ASP A 23 20.372 -2.642 -9.947 1.00 0.00 O ATOM 0 H ASP A 23 22.515 -5.174 -7.926 1.00 0.00 H new ATOM 0 HA ASP A 23 22.970 -2.243 -7.464 1.00 0.00 H new ATOM 0 HB2 ASP A 23 20.302 -3.575 -7.038 1.00 0.00 H new ATOM 0 HB3 ASP A 23 20.653 -1.948 -7.586 1.00 0.00 H new ATOM 241 N LEU A 24 22.807 -2.430 -4.964 1.00 0.00 N ATOM 242 CA LEU A 24 22.867 -2.615 -3.488 1.00 0.00 C ATOM 243 C LEU A 24 21.442 -2.658 -2.943 1.00 0.00 C ATOM 244 O LEU A 24 20.499 -2.291 -3.615 1.00 0.00 O ATOM 245 CB LEU A 24 23.617 -1.438 -2.848 1.00 0.00 C ATOM 246 CG LEU A 24 25.114 -1.440 -3.221 1.00 0.00 C ATOM 247 CD1 LEU A 24 25.930 -1.916 -2.022 1.00 0.00 C ATOM 248 CD2 LEU A 24 25.396 -2.355 -4.420 1.00 0.00 C ATOM 0 H LEU A 24 23.058 -1.498 -5.294 1.00 0.00 H new ATOM 0 HA LEU A 24 23.389 -3.543 -3.254 1.00 0.00 H new ATOM 0 HB2 LEU A 24 23.164 -0.500 -3.170 1.00 0.00 H new ATOM 0 HB3 LEU A 24 23.513 -1.487 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 24 25.396 -0.424 -3.496 1.00 0.00 H new ATOM 0 HD11 LEU A 24 26.989 -1.919 -2.281 1.00 0.00 H new ATOM 0 HD12 LEU A 24 25.764 -1.245 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 24 25.620 -2.925 -1.748 1.00 0.00 H new ATOM 0 HD21 LEU A 24 26.460 -2.331 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 24 25.101 -3.376 -4.176 1.00 0.00 H new ATOM 0 HD23 LEU A 24 24.827 -2.009 -5.283 1.00 0.00 H new ATOM 260 N SER A 25 21.273 -3.101 -1.732 1.00 0.00 N ATOM 261 CA SER A 25 19.908 -3.163 -1.152 1.00 0.00 C ATOM 262 C SER A 25 19.695 -1.990 -0.198 1.00 0.00 C ATOM 263 O SER A 25 20.527 -1.699 0.638 1.00 0.00 O ATOM 264 CB SER A 25 19.751 -4.472 -0.385 1.00 0.00 C ATOM 265 OG SER A 25 20.855 -5.319 -0.662 1.00 0.00 O ATOM 0 H SER A 25 22.022 -3.423 -1.119 1.00 0.00 H new ATOM 0 HA SER A 25 19.171 -3.111 -1.954 1.00 0.00 H new ATOM 0 HB2 SER A 25 19.691 -4.274 0.685 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.821 -4.964 -0.671 1.00 0.00 H new ATOM 0 HG SER A 25 20.923 -6.006 0.034 1.00 0.00 H new ATOM 271 N PHE A 26 18.587 -1.313 -0.313 1.00 0.00 N ATOM 272 CA PHE A 26 18.330 -0.163 0.593 1.00 0.00 C ATOM 273 C PHE A 26 17.068 -0.444 1.405 1.00 0.00 C ATOM 274 O PHE A 26 16.552 -1.544 1.401 1.00 0.00 O ATOM 275 CB PHE A 26 18.174 1.139 -0.206 1.00 0.00 C ATOM 276 CG PHE A 26 17.317 0.922 -1.457 1.00 0.00 C ATOM 277 CD1 PHE A 26 17.787 0.166 -2.516 1.00 0.00 C ATOM 278 CD2 PHE A 26 16.081 1.535 -1.567 1.00 0.00 C ATOM 279 CE1 PHE A 26 17.034 0.030 -3.667 1.00 0.00 C ATOM 280 CE2 PHE A 26 15.331 1.397 -2.719 1.00 0.00 C ATOM 281 CZ PHE A 26 15.808 0.645 -3.764 1.00 0.00 C ATOM 0 H PHE A 26 17.852 -1.506 -0.993 1.00 0.00 H new ATOM 0 HA PHE A 26 19.179 -0.040 1.265 1.00 0.00 H new ATOM 0 HB2 PHE A 26 17.717 1.902 0.423 1.00 0.00 H new ATOM 0 HB3 PHE A 26 19.157 1.511 -0.495 1.00 0.00 H new ATOM 0 HD1 PHE A 26 18.748 -0.321 -2.443 1.00 0.00 H new ATOM 0 HD2 PHE A 26 15.700 2.125 -0.747 1.00 0.00 H new ATOM 0 HE1 PHE A 26 17.409 -0.560 -4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 26 14.369 1.881 -2.798 1.00 0.00 H new ATOM 0 HZ PHE A 26 15.220 0.536 -4.663 1.00 0.00 H new ATOM 291 N LYS A 27 16.564 0.532 2.101 1.00 0.00 N ATOM 292 CA LYS A 27 15.335 0.301 2.910 1.00 0.00 C ATOM 293 C LYS A 27 14.398 1.502 2.798 1.00 0.00 C ATOM 294 O LYS A 27 14.775 2.558 2.332 1.00 0.00 O ATOM 295 CB LYS A 27 15.727 0.098 4.376 1.00 0.00 C ATOM 296 CG LYS A 27 14.749 -0.874 5.038 1.00 0.00 C ATOM 297 CD LYS A 27 15.098 -1.019 6.519 1.00 0.00 C ATOM 298 CE LYS A 27 13.820 -1.255 7.324 1.00 0.00 C ATOM 299 NZ LYS A 27 14.149 -2.000 8.571 1.00 0.00 N ATOM 0 H LYS A 27 16.946 1.477 2.146 1.00 0.00 H new ATOM 0 HA LYS A 27 14.822 -0.585 2.536 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.743 -0.292 4.441 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.718 1.053 4.901 1.00 0.00 H new ATOM 0 HG2 LYS A 27 13.728 -0.510 4.928 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.796 -1.845 4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.788 -1.850 6.661 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.603 -0.121 6.874 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.351 -0.302 7.570 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.102 -1.819 6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.280 -2.161 9.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.578 -2.915 8.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.819 -1.445 9.140 1.00 0.00 H new ATOM 313 N LYS A 28 13.175 1.343 3.225 1.00 0.00 N ATOM 314 CA LYS A 28 12.206 2.469 3.148 1.00 0.00 C ATOM 315 C LYS A 28 12.461 3.431 4.309 1.00 0.00 C ATOM 316 O LYS A 28 11.826 3.359 5.342 1.00 0.00 O ATOM 317 CB LYS A 28 10.780 1.917 3.227 1.00 0.00 C ATOM 318 CG LYS A 28 9.791 3.063 3.458 1.00 0.00 C ATOM 319 CD LYS A 28 8.991 2.795 4.733 1.00 0.00 C ATOM 320 CE LYS A 28 8.198 1.495 4.575 1.00 0.00 C ATOM 321 NZ LYS A 28 7.670 1.071 5.903 1.00 0.00 N ATOM 0 H LYS A 28 12.806 0.480 3.624 1.00 0.00 H new ATOM 0 HA LYS A 28 12.330 3.003 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 28 10.532 1.391 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 28 10.706 1.192 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 28 10.327 4.008 3.544 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.118 3.154 2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.663 2.722 5.588 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.313 3.625 4.931 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.376 1.641 3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.836 0.715 4.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 7.131 0.188 5.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.463 0.916 6.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.047 1.813 6.282 1.00 0.00 H new ATOM 335 N GLY A 29 13.389 4.332 4.143 1.00 0.00 N ATOM 336 CA GLY A 29 13.695 5.304 5.230 1.00 0.00 C ATOM 337 C GLY A 29 15.003 6.030 4.905 1.00 0.00 C ATOM 338 O GLY A 29 15.224 7.149 5.324 1.00 0.00 O ATOM 0 H GLY A 29 13.951 4.437 3.298 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.882 6.023 5.330 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.781 4.785 6.184 1.00 0.00 H new ATOM 342 N GLU A 30 15.871 5.400 4.160 1.00 0.00 N ATOM 343 CA GLU A 30 17.163 6.054 3.809 1.00 0.00 C ATOM 344 C GLU A 30 16.994 6.837 2.506 1.00 0.00 C ATOM 345 O GLU A 30 17.353 6.377 1.442 1.00 0.00 O ATOM 346 CB GLU A 30 18.243 4.985 3.626 1.00 0.00 C ATOM 347 CG GLU A 30 19.454 5.328 4.497 1.00 0.00 C ATOM 348 CD GLU A 30 20.378 4.113 4.589 1.00 0.00 C ATOM 349 OE1 GLU A 30 19.959 3.115 5.152 1.00 0.00 O ATOM 350 OE2 GLU A 30 21.490 4.200 4.096 1.00 0.00 O ATOM 0 H GLU A 30 15.741 4.462 3.780 1.00 0.00 H new ATOM 0 HA GLU A 30 17.458 6.733 4.608 1.00 0.00 H new ATOM 0 HB2 GLU A 30 17.850 4.006 3.900 1.00 0.00 H new ATOM 0 HB3 GLU A 30 18.539 4.928 2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 30 19.992 6.176 4.073 1.00 0.00 H new ATOM 0 HG3 GLU A 30 19.126 5.625 5.493 1.00 0.00 H new ATOM 357 N ARG A 31 16.448 8.021 2.585 1.00 0.00 N ATOM 358 CA ARG A 31 16.254 8.838 1.354 1.00 0.00 C ATOM 359 C ARG A 31 17.507 8.758 0.480 1.00 0.00 C ATOM 360 O ARG A 31 18.528 9.341 0.787 1.00 0.00 O ATOM 361 CB ARG A 31 15.999 10.295 1.746 1.00 0.00 C ATOM 362 CG ARG A 31 14.510 10.493 2.033 1.00 0.00 C ATOM 363 CD ARG A 31 14.140 9.761 3.324 1.00 0.00 C ATOM 364 NE ARG A 31 14.993 10.259 4.439 1.00 0.00 N ATOM 365 CZ ARG A 31 14.457 10.934 5.417 1.00 0.00 C ATOM 366 NH1 ARG A 31 13.699 11.965 5.160 1.00 0.00 N ATOM 367 NH2 ARG A 31 14.678 10.579 6.653 1.00 0.00 N ATOM 0 H ARG A 31 16.128 8.457 3.450 1.00 0.00 H new ATOM 0 HA ARG A 31 15.400 8.454 0.796 1.00 0.00 H new ATOM 0 HB2 ARG A 31 16.587 10.554 2.626 1.00 0.00 H new ATOM 0 HB3 ARG A 31 16.317 10.960 0.943 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.285 11.555 2.127 1.00 0.00 H new ATOM 0 HG3 ARG A 31 13.915 10.113 1.203 1.00 0.00 H new ATOM 0 HD2 ARG A 31 13.087 9.922 3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 31 14.278 8.687 3.198 1.00 0.00 H new ATOM 0 HE ARG A 31 15.996 10.072 4.437 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.526 12.243 4.194 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.280 12.493 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 31 15.270 9.773 6.854 1.00 0.00 H new ATOM 0 HH22 ARG A 31 14.259 11.107 7.418 1.00 0.00 H new ATOM 381 N LEU A 32 17.439 8.038 -0.608 1.00 0.00 N ATOM 382 CA LEU A 32 18.627 7.922 -1.499 1.00 0.00 C ATOM 383 C LEU A 32 18.663 9.119 -2.451 1.00 0.00 C ATOM 384 O LEU A 32 17.690 9.828 -2.606 1.00 0.00 O ATOM 385 CB LEU A 32 18.535 6.629 -2.311 1.00 0.00 C ATOM 386 CG LEU A 32 18.334 5.445 -1.364 1.00 0.00 C ATOM 387 CD1 LEU A 32 16.872 4.998 -1.412 1.00 0.00 C ATOM 388 CD2 LEU A 32 19.237 4.287 -1.796 1.00 0.00 C ATOM 0 H LEU A 32 16.613 7.526 -0.917 1.00 0.00 H new ATOM 0 HA LEU A 32 19.534 7.906 -0.895 1.00 0.00 H new ATOM 0 HB2 LEU A 32 17.707 6.689 -3.017 1.00 0.00 H new ATOM 0 HB3 LEU A 32 19.444 6.490 -2.897 1.00 0.00 H new ATOM 0 HG LEU A 32 18.590 5.744 -0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.727 4.154 -0.737 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.229 5.823 -1.105 1.00 0.00 H new ATOM 0 HD13 LEU A 32 16.616 4.698 -2.428 1.00 0.00 H new ATOM 0 HD21 LEU A 32 19.094 3.443 -1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 32 18.982 3.986 -2.812 1.00 0.00 H new ATOM 0 HD23 LEU A 32 20.279 4.606 -1.762 1.00 0.00 H new ATOM 400 N GLN A 33 19.777 9.348 -3.092 1.00 0.00 N ATOM 401 CA GLN A 33 19.867 10.501 -4.033 1.00 0.00 C ATOM 402 C GLN A 33 19.898 9.989 -5.474 1.00 0.00 C ATOM 403 O GLN A 33 20.849 9.362 -5.899 1.00 0.00 O ATOM 404 CB GLN A 33 21.145 11.291 -3.745 1.00 0.00 C ATOM 405 CG GLN A 33 21.172 12.548 -4.616 1.00 0.00 C ATOM 406 CD GLN A 33 22.589 13.124 -4.635 1.00 0.00 C ATOM 407 OE1 GLN A 33 23.179 13.411 -3.507 1.00 0.00 O flip ATOM 408 NE2 GLN A 33 23.165 13.316 -5.688 1.00 0.00 N flip ATOM 0 H GLN A 33 20.626 8.789 -3.005 1.00 0.00 H new ATOM 0 HA GLN A 33 18.999 11.147 -3.899 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.187 11.565 -2.691 1.00 0.00 H new ATOM 0 HB3 GLN A 33 22.021 10.675 -3.949 1.00 0.00 H new ATOM 0 HG2 GLN A 33 20.852 12.308 -5.630 1.00 0.00 H new ATOM 0 HG3 GLN A 33 20.472 13.288 -4.227 1.00 0.00 H new ATOM 0 HE21 GLN A 33 22.704 13.092 -6.570 1.00 0.00 H new ATOM 0 HE22 GLN A 33 24.109 13.701 -5.690 1.00 0.00 H new ATOM 417 N ILE A 34 18.866 10.249 -6.230 1.00 0.00 N ATOM 418 CA ILE A 34 18.841 9.777 -7.643 1.00 0.00 C ATOM 419 C ILE A 34 20.137 10.199 -8.335 1.00 0.00 C ATOM 420 O ILE A 34 20.786 11.144 -7.933 1.00 0.00 O ATOM 421 CB ILE A 34 17.646 10.395 -8.371 1.00 0.00 C ATOM 422 CG1 ILE A 34 16.385 10.228 -7.520 1.00 0.00 C ATOM 423 CG2 ILE A 34 17.451 9.691 -9.715 1.00 0.00 C ATOM 424 CD1 ILE A 34 16.288 8.784 -7.026 1.00 0.00 C ATOM 0 H ILE A 34 18.040 10.767 -5.930 1.00 0.00 H new ATOM 0 HA ILE A 34 18.750 8.691 -7.664 1.00 0.00 H new ATOM 0 HB ILE A 34 17.832 11.456 -8.538 1.00 0.00 H new ATOM 0 HG12 ILE A 34 16.413 10.912 -6.672 1.00 0.00 H new ATOM 0 HG13 ILE A 34 15.502 10.483 -8.106 1.00 0.00 H new ATOM 0 HG21 ILE A 34 16.600 10.130 -10.236 1.00 0.00 H new ATOM 0 HG22 ILE A 34 18.348 9.811 -10.322 1.00 0.00 H new ATOM 0 HG23 ILE A 34 17.266 8.630 -9.547 1.00 0.00 H new ATOM 0 HD11 ILE A 34 15.390 8.666 -6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 34 16.240 8.109 -7.881 1.00 0.00 H new ATOM 0 HD13 ILE A 34 17.165 8.546 -6.424 1.00 0.00 H new ATOM 436 N VAL A 35 20.520 9.511 -9.375 1.00 0.00 N ATOM 437 CA VAL A 35 21.777 9.883 -10.081 1.00 0.00 C ATOM 438 C VAL A 35 21.543 9.920 -11.593 1.00 0.00 C ATOM 439 O VAL A 35 22.047 10.782 -12.285 1.00 0.00 O ATOM 440 CB VAL A 35 22.858 8.853 -9.760 1.00 0.00 C ATOM 441 CG1 VAL A 35 24.115 9.160 -10.576 1.00 0.00 C ATOM 442 CG2 VAL A 35 23.189 8.912 -8.267 1.00 0.00 C ATOM 0 H VAL A 35 20.020 8.712 -9.764 1.00 0.00 H new ATOM 0 HA VAL A 35 22.095 10.871 -9.748 1.00 0.00 H new ATOM 0 HB VAL A 35 22.498 7.856 -10.013 1.00 0.00 H new ATOM 0 HG11 VAL A 35 24.886 8.425 -10.347 1.00 0.00 H new ATOM 0 HG12 VAL A 35 23.878 9.118 -11.639 1.00 0.00 H new ATOM 0 HG13 VAL A 35 24.478 10.157 -10.325 1.00 0.00 H new ATOM 0 HG21 VAL A 35 23.960 8.177 -8.036 1.00 0.00 H new ATOM 0 HG22 VAL A 35 23.550 9.909 -8.013 1.00 0.00 H new ATOM 0 HG23 VAL A 35 22.293 8.692 -7.687 1.00 0.00 H new ATOM 452 N ASN A 36 20.786 8.995 -12.113 1.00 0.00 N ATOM 453 CA ASN A 36 20.531 8.990 -13.583 1.00 0.00 C ATOM 454 C ASN A 36 19.177 8.340 -13.884 1.00 0.00 C ATOM 455 O ASN A 36 18.471 7.911 -12.995 1.00 0.00 O ATOM 456 CB ASN A 36 21.636 8.195 -14.282 1.00 0.00 C ATOM 457 CG ASN A 36 22.391 9.108 -15.251 1.00 0.00 C ATOM 458 OD1 ASN A 36 21.817 10.012 -15.825 1.00 0.00 O ATOM 459 ND2 ASN A 36 23.664 8.906 -15.460 1.00 0.00 N ATOM 0 H ASN A 36 20.334 8.246 -11.589 1.00 0.00 H new ATOM 0 HA ASN A 36 20.521 10.018 -13.946 1.00 0.00 H new ATOM 0 HB2 ASN A 36 22.324 7.783 -13.544 1.00 0.00 H new ATOM 0 HB3 ASN A 36 21.205 7.352 -14.822 1.00 0.00 H new ATOM 0 HD21 ASN A 36 24.177 9.507 -16.105 1.00 0.00 H new ATOM 0 HD22 ASN A 36 24.146 8.147 -14.978 1.00 0.00 H new ATOM 466 N ASN A 37 18.811 8.271 -15.137 1.00 0.00 N ATOM 467 CA ASN A 37 17.507 7.651 -15.509 1.00 0.00 C ATOM 468 C ASN A 37 16.352 8.480 -14.943 1.00 0.00 C ATOM 469 O ASN A 37 16.027 8.396 -13.774 1.00 0.00 O ATOM 470 CB ASN A 37 17.439 6.231 -14.946 1.00 0.00 C ATOM 471 CG ASN A 37 18.627 5.417 -15.465 1.00 0.00 C ATOM 472 OD1 ASN A 37 19.021 4.441 -14.859 1.00 0.00 O ATOM 473 ND2 ASN A 37 19.218 5.780 -16.570 1.00 0.00 N ATOM 0 H ASN A 37 19.362 8.619 -15.921 1.00 0.00 H new ATOM 0 HA ASN A 37 17.424 7.619 -16.595 1.00 0.00 H new ATOM 0 HB2 ASN A 37 17.453 6.260 -13.856 1.00 0.00 H new ATOM 0 HB3 ASN A 37 16.503 5.756 -15.241 1.00 0.00 H new ATOM 0 HD21 ASN A 37 20.010 5.244 -16.924 1.00 0.00 H new ATOM 0 HD22 ASN A 37 18.888 6.600 -17.080 1.00 0.00 H new ATOM 480 N THR A 38 15.727 9.282 -15.763 1.00 0.00 N ATOM 481 CA THR A 38 14.592 10.117 -15.273 1.00 0.00 C ATOM 482 C THR A 38 13.276 9.358 -15.461 1.00 0.00 C ATOM 483 O THR A 38 12.404 9.386 -14.617 1.00 0.00 O ATOM 484 CB THR A 38 14.542 11.436 -16.054 1.00 0.00 C ATOM 485 OG1 THR A 38 13.240 11.995 -15.947 1.00 0.00 O ATOM 486 CG2 THR A 38 14.869 11.184 -17.527 1.00 0.00 C ATOM 0 H THR A 38 15.953 9.395 -16.751 1.00 0.00 H new ATOM 0 HA THR A 38 14.737 10.333 -14.214 1.00 0.00 H new ATOM 0 HB THR A 38 15.276 12.127 -15.640 1.00 0.00 H new ATOM 0 HG1 THR A 38 13.205 12.839 -16.444 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.831 12.126 -18.074 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.868 10.756 -17.610 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.141 10.490 -17.948 1.00 0.00 H new ATOM 494 N GLU A 39 13.127 8.681 -16.565 1.00 0.00 N ATOM 495 CA GLU A 39 11.873 7.920 -16.817 1.00 0.00 C ATOM 496 C GLU A 39 11.684 6.873 -15.718 1.00 0.00 C ATOM 497 O GLU A 39 12.328 6.919 -14.690 1.00 0.00 O ATOM 498 CB GLU A 39 11.976 7.231 -18.177 1.00 0.00 C ATOM 499 CG GLU A 39 11.705 8.251 -19.285 1.00 0.00 C ATOM 500 CD GLU A 39 12.494 7.867 -20.538 1.00 0.00 C ATOM 501 OE1 GLU A 39 12.850 6.707 -20.658 1.00 0.00 O ATOM 502 OE2 GLU A 39 12.731 8.741 -21.356 1.00 0.00 O ATOM 0 H GLU A 39 13.824 8.622 -17.307 1.00 0.00 H new ATOM 0 HA GLU A 39 11.019 8.598 -16.815 1.00 0.00 H new ATOM 0 HB2 GLU A 39 12.968 6.796 -18.303 1.00 0.00 H new ATOM 0 HB3 GLU A 39 11.259 6.412 -18.238 1.00 0.00 H new ATOM 0 HG2 GLU A 39 10.639 8.284 -19.510 1.00 0.00 H new ATOM 0 HG3 GLU A 39 11.992 9.249 -18.953 1.00 0.00 H new ATOM 509 N GLY A 40 10.791 5.944 -15.919 1.00 0.00 N ATOM 510 CA GLY A 40 10.560 4.892 -14.885 1.00 0.00 C ATOM 511 C GLY A 40 11.297 3.614 -15.293 1.00 0.00 C ATOM 512 O GLY A 40 10.889 2.914 -16.199 1.00 0.00 O ATOM 0 H GLY A 40 10.210 5.866 -16.754 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.915 5.236 -13.913 1.00 0.00 H new ATOM 0 HA3 GLY A 40 9.493 4.694 -14.783 1.00 0.00 H new ATOM 516 N ASP A 41 12.374 3.298 -14.624 1.00 0.00 N ATOM 517 CA ASP A 41 13.140 2.068 -14.971 1.00 0.00 C ATOM 518 C ASP A 41 14.015 1.665 -13.775 1.00 0.00 C ATOM 519 O ASP A 41 13.526 1.188 -12.770 1.00 0.00 O ATOM 520 CB ASP A 41 14.025 2.357 -16.186 1.00 0.00 C ATOM 521 CG ASP A 41 13.155 2.748 -17.380 1.00 0.00 C ATOM 522 OD1 ASP A 41 12.533 1.867 -17.951 1.00 0.00 O ATOM 523 OD2 ASP A 41 13.125 3.924 -17.706 1.00 0.00 O ATOM 0 H ASP A 41 12.756 3.841 -13.850 1.00 0.00 H new ATOM 0 HA ASP A 41 12.454 1.254 -15.207 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.724 3.161 -15.955 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.620 1.477 -16.431 1.00 0.00 H new ATOM 528 N TRP A 42 15.306 1.853 -13.874 1.00 0.00 N ATOM 529 CA TRP A 42 16.211 1.486 -12.754 1.00 0.00 C ATOM 530 C TRP A 42 17.235 2.603 -12.595 1.00 0.00 C ATOM 531 O TRP A 42 18.323 2.552 -13.132 1.00 0.00 O ATOM 532 CB TRP A 42 16.912 0.169 -13.075 1.00 0.00 C ATOM 533 CG TRP A 42 15.861 -0.936 -13.162 1.00 0.00 C ATOM 534 CD1 TRP A 42 15.000 -1.102 -14.181 1.00 0.00 C ATOM 535 CD2 TRP A 42 15.647 -1.859 -12.230 1.00 0.00 C ATOM 536 NE1 TRP A 42 14.275 -2.158 -13.809 1.00 0.00 N ATOM 537 CE2 TRP A 42 14.612 -2.693 -12.605 1.00 0.00 C ATOM 538 CE3 TRP A 42 16.289 -2.049 -11.025 1.00 0.00 C ATOM 539 CZ2 TRP A 42 14.220 -3.719 -11.769 1.00 0.00 C ATOM 540 CZ3 TRP A 42 15.897 -3.074 -10.189 1.00 0.00 C ATOM 541 CH2 TRP A 42 14.862 -3.909 -10.561 1.00 0.00 C ATOM 0 H TRP A 42 15.771 2.248 -14.691 1.00 0.00 H new ATOM 0 HA TRP A 42 15.649 1.360 -11.829 1.00 0.00 H new ATOM 0 HB2 TRP A 42 17.455 0.249 -14.017 1.00 0.00 H new ATOM 0 HB3 TRP A 42 17.645 -0.067 -12.304 1.00 0.00 H new ATOM 0 HD1 TRP A 42 14.915 -0.519 -15.086 1.00 0.00 H new ATOM 0 HE1 TRP A 42 13.523 -2.536 -14.385 1.00 0.00 H new ATOM 0 HE3 TRP A 42 17.099 -1.396 -10.735 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 13.411 -4.373 -12.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 16.399 -3.223 -9.245 1.00 0.00 H new ATOM 0 HH2 TRP A 42 14.554 -4.711 -9.907 1.00 0.00 H new ATOM 552 N TRP A 43 16.884 3.615 -11.857 1.00 0.00 N ATOM 553 CA TRP A 43 17.817 4.751 -11.649 1.00 0.00 C ATOM 554 C TRP A 43 18.858 4.399 -10.587 1.00 0.00 C ATOM 555 O TRP A 43 18.619 3.606 -9.697 1.00 0.00 O ATOM 556 CB TRP A 43 17.015 5.969 -11.194 1.00 0.00 C ATOM 557 CG TRP A 43 15.649 5.971 -11.894 1.00 0.00 C ATOM 558 CD1 TRP A 43 15.394 5.424 -13.100 1.00 0.00 C ATOM 559 CD2 TRP A 43 14.544 6.538 -11.411 1.00 0.00 C ATOM 560 NE1 TRP A 43 14.108 5.698 -13.302 1.00 0.00 N ATOM 561 CE2 TRP A 43 13.500 6.387 -12.303 1.00 0.00 C ATOM 562 CE3 TRP A 43 14.337 7.202 -10.217 1.00 0.00 C ATOM 563 CZ2 TRP A 43 12.254 6.899 -12.004 1.00 0.00 C ATOM 564 CZ3 TRP A 43 13.089 7.714 -9.918 1.00 0.00 C ATOM 565 CH2 TRP A 43 12.049 7.562 -10.812 1.00 0.00 C ATOM 0 H TRP A 43 15.984 3.704 -11.386 1.00 0.00 H new ATOM 0 HA TRP A 43 18.334 4.968 -12.583 1.00 0.00 H new ATOM 0 HB2 TRP A 43 16.882 5.947 -10.112 1.00 0.00 H new ATOM 0 HB3 TRP A 43 17.558 6.884 -11.430 1.00 0.00 H new ATOM 0 HD1 TRP A 43 16.073 4.890 -13.748 1.00 0.00 H new ATOM 0 HE1 TRP A 43 13.614 5.411 -14.147 1.00 0.00 H new ATOM 0 HE3 TRP A 43 15.151 7.321 -9.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 11.439 6.781 -12.703 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 12.928 8.233 -8.985 1.00 0.00 H new ATOM 0 HH2 TRP A 43 11.074 7.963 -10.578 1.00 0.00 H new ATOM 576 N LEU A 44 20.014 4.995 -10.680 1.00 0.00 N ATOM 577 CA LEU A 44 21.088 4.715 -9.691 1.00 0.00 C ATOM 578 C LEU A 44 20.993 5.732 -8.559 1.00 0.00 C ATOM 579 O LEU A 44 21.056 6.925 -8.780 1.00 0.00 O ATOM 580 CB LEU A 44 22.454 4.836 -10.370 1.00 0.00 C ATOM 581 CG LEU A 44 23.562 4.640 -9.333 1.00 0.00 C ATOM 582 CD1 LEU A 44 24.806 4.077 -10.021 1.00 0.00 C ATOM 583 CD2 LEU A 44 23.906 5.984 -8.686 1.00 0.00 C ATOM 0 H LEU A 44 20.261 5.669 -11.405 1.00 0.00 H new ATOM 0 HA LEU A 44 20.971 3.706 -9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 44 22.546 4.091 -11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 44 22.552 5.814 -10.841 1.00 0.00 H new ATOM 0 HG LEU A 44 23.220 3.946 -8.566 1.00 0.00 H new ATOM 0 HD11 LEU A 44 25.597 3.936 -9.284 1.00 0.00 H new ATOM 0 HD12 LEU A 44 24.565 3.119 -10.482 1.00 0.00 H new ATOM 0 HD13 LEU A 44 25.144 4.774 -10.788 1.00 0.00 H new ATOM 0 HD21 LEU A 44 24.695 5.841 -7.948 1.00 0.00 H new ATOM 0 HD22 LEU A 44 24.247 6.680 -9.452 1.00 0.00 H new ATOM 0 HD23 LEU A 44 23.021 6.389 -8.196 1.00 0.00 H new ATOM 595 N ALA A 45 20.841 5.278 -7.349 1.00 0.00 N ATOM 596 CA ALA A 45 20.743 6.236 -6.217 1.00 0.00 C ATOM 597 C ALA A 45 21.932 6.047 -5.273 1.00 0.00 C ATOM 598 O ALA A 45 22.217 4.953 -4.825 1.00 0.00 O ATOM 599 CB ALA A 45 19.442 5.989 -5.453 1.00 0.00 C ATOM 0 H ALA A 45 20.781 4.292 -7.096 1.00 0.00 H new ATOM 0 HA ALA A 45 20.752 7.254 -6.606 1.00 0.00 H new ATOM 0 HB1 ALA A 45 19.369 6.691 -4.622 1.00 0.00 H new ATOM 0 HB2 ALA A 45 18.594 6.130 -6.123 1.00 0.00 H new ATOM 0 HB3 ALA A 45 19.434 4.969 -5.068 1.00 0.00 H new ATOM 605 N HIS A 46 22.628 7.106 -4.971 1.00 0.00 N ATOM 606 CA HIS A 46 23.797 6.995 -4.056 1.00 0.00 C ATOM 607 C HIS A 46 23.371 7.427 -2.650 1.00 0.00 C ATOM 608 O HIS A 46 22.797 8.481 -2.462 1.00 0.00 O ATOM 609 CB HIS A 46 24.927 7.900 -4.570 1.00 0.00 C ATOM 610 CG HIS A 46 25.897 8.235 -3.434 1.00 0.00 C ATOM 611 ND1 HIS A 46 26.115 9.434 -2.779 1.00 0.00 N flip ATOM 612 CD2 HIS A 46 26.697 7.415 -2.891 1.00 0.00 C flip ATOM 613 CE1 HIS A 46 27.064 9.270 -1.843 1.00 0.00 C flip ATOM 614 NE2 HIS A 46 27.378 7.991 -1.972 1.00 0.00 N flip ATOM 0 H HIS A 46 22.438 8.046 -5.319 1.00 0.00 H new ATOM 0 HA HIS A 46 24.154 5.966 -4.022 1.00 0.00 H new ATOM 0 HB2 HIS A 46 25.462 7.402 -5.379 1.00 0.00 H new ATOM 0 HB3 HIS A 46 24.508 8.818 -4.982 1.00 0.00 H new ATOM 0 HD1 HIS A 46 25.629 10.309 -2.977 1.00 0.00 H new ATOM 0 HD2 HIS A 46 26.791 6.375 -3.165 1.00 0.00 H new ATOM 0 HE1 HIS A 46 27.469 9.999 -1.157 1.00 0.00 H new ATOM 622 N SER A 47 23.642 6.618 -1.663 1.00 0.00 N ATOM 623 CA SER A 47 23.251 6.983 -0.273 1.00 0.00 C ATOM 624 C SER A 47 24.355 7.829 0.363 1.00 0.00 C ATOM 625 O SER A 47 25.480 7.393 0.508 1.00 0.00 O ATOM 626 CB SER A 47 23.045 5.710 0.550 1.00 0.00 C ATOM 627 OG SER A 47 22.489 4.697 -0.276 1.00 0.00 O ATOM 0 H SER A 47 24.117 5.721 -1.759 1.00 0.00 H new ATOM 0 HA SER A 47 22.323 7.555 -0.295 1.00 0.00 H new ATOM 0 HB2 SER A 47 23.995 5.375 0.965 1.00 0.00 H new ATOM 0 HB3 SER A 47 22.383 5.912 1.392 1.00 0.00 H new ATOM 0 HG SER A 47 22.358 3.881 0.250 1.00 0.00 H new ATOM 633 N LEU A 48 24.043 9.038 0.741 1.00 0.00 N ATOM 634 CA LEU A 48 25.072 9.914 1.366 1.00 0.00 C ATOM 635 C LEU A 48 25.328 9.449 2.801 1.00 0.00 C ATOM 636 O LEU A 48 26.371 9.705 3.371 1.00 0.00 O ATOM 637 CB LEU A 48 24.571 11.359 1.377 1.00 0.00 C ATOM 638 CG LEU A 48 24.020 11.717 -0.005 1.00 0.00 C ATOM 639 CD1 LEU A 48 22.801 12.630 0.152 1.00 0.00 C ATOM 640 CD2 LEU A 48 25.099 12.444 -0.812 1.00 0.00 C ATOM 0 H LEU A 48 23.118 9.457 0.644 1.00 0.00 H new ATOM 0 HA LEU A 48 25.998 9.857 0.794 1.00 0.00 H new ATOM 0 HB2 LEU A 48 23.795 11.481 2.133 1.00 0.00 H new ATOM 0 HB3 LEU A 48 25.384 12.035 1.643 1.00 0.00 H new ATOM 0 HG LEU A 48 23.727 10.805 -0.526 1.00 0.00 H new ATOM 0 HD11 LEU A 48 22.408 12.885 -0.832 1.00 0.00 H new ATOM 0 HD12 LEU A 48 22.032 12.114 0.727 1.00 0.00 H new ATOM 0 HD13 LEU A 48 23.094 13.541 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 48 24.707 12.699 -1.797 1.00 0.00 H new ATOM 0 HD22 LEU A 48 25.391 13.355 -0.290 1.00 0.00 H new ATOM 0 HD23 LEU A 48 25.968 11.796 -0.924 1.00 0.00 H new ATOM 652 N THR A 49 24.384 8.766 3.391 1.00 0.00 N ATOM 653 CA THR A 49 24.576 8.285 4.789 1.00 0.00 C ATOM 654 C THR A 49 25.807 7.380 4.846 1.00 0.00 C ATOM 655 O THR A 49 26.843 7.757 5.356 1.00 0.00 O ATOM 656 CB THR A 49 23.344 7.492 5.243 1.00 0.00 C ATOM 657 OG1 THR A 49 22.344 7.542 4.235 1.00 0.00 O ATOM 658 CG2 THR A 49 22.797 8.094 6.537 1.00 0.00 C ATOM 0 H THR A 49 23.490 8.521 2.966 1.00 0.00 H new ATOM 0 HA THR A 49 24.714 9.142 5.448 1.00 0.00 H new ATOM 0 HB THR A 49 23.628 6.454 5.417 1.00 0.00 H new ATOM 0 HG1 THR A 49 21.489 7.803 4.636 1.00 0.00 H new ATOM 0 HG21 THR A 49 21.922 7.530 6.859 1.00 0.00 H new ATOM 0 HG22 THR A 49 23.563 8.049 7.311 1.00 0.00 H new ATOM 0 HG23 THR A 49 22.516 9.133 6.365 1.00 0.00 H new ATOM 666 N THR A 50 25.703 6.187 4.326 1.00 0.00 N ATOM 667 CA THR A 50 26.868 5.260 4.352 1.00 0.00 C ATOM 668 C THR A 50 27.854 5.657 3.252 1.00 0.00 C ATOM 669 O THR A 50 29.017 5.900 3.505 1.00 0.00 O ATOM 670 CB THR A 50 26.388 3.827 4.111 1.00 0.00 C ATOM 671 OG1 THR A 50 25.265 3.560 4.937 1.00 0.00 O ATOM 672 CG2 THR A 50 27.516 2.849 4.445 1.00 0.00 C ATOM 0 H THR A 50 24.862 5.815 3.885 1.00 0.00 H new ATOM 0 HA THR A 50 27.359 5.319 5.324 1.00 0.00 H new ATOM 0 HB THR A 50 26.104 3.708 3.065 1.00 0.00 H new ATOM 0 HG1 THR A 50 24.956 2.643 4.782 1.00 0.00 H new ATOM 0 HG21 THR A 50 27.175 1.828 4.274 1.00 0.00 H new ATOM 0 HG22 THR A 50 28.377 3.056 3.809 1.00 0.00 H new ATOM 0 HG23 THR A 50 27.801 2.966 5.491 1.00 0.00 H new ATOM 680 N GLY A 51 27.397 5.726 2.030 1.00 0.00 N ATOM 681 CA GLY A 51 28.307 6.107 0.914 1.00 0.00 C ATOM 682 C GLY A 51 28.359 4.974 -0.112 1.00 0.00 C ATOM 683 O GLY A 51 29.220 4.940 -0.970 1.00 0.00 O ATOM 0 H GLY A 51 26.433 5.535 1.758 1.00 0.00 H new ATOM 0 HA2 GLY A 51 27.956 7.024 0.441 1.00 0.00 H new ATOM 0 HA3 GLY A 51 29.307 6.310 1.299 1.00 0.00 H new ATOM 687 N GLN A 52 27.445 4.046 -0.033 1.00 0.00 N ATOM 688 CA GLN A 52 27.445 2.917 -1.006 1.00 0.00 C ATOM 689 C GLN A 52 26.595 3.288 -2.224 1.00 0.00 C ATOM 690 O GLN A 52 25.720 4.128 -2.151 1.00 0.00 O ATOM 691 CB GLN A 52 26.859 1.670 -0.339 1.00 0.00 C ATOM 692 CG GLN A 52 27.424 1.538 1.076 1.00 0.00 C ATOM 693 CD GLN A 52 28.940 1.345 1.004 1.00 0.00 C ATOM 694 OE1 GLN A 52 29.678 1.948 1.759 1.00 0.00 O ATOM 695 NE2 GLN A 52 29.439 0.525 0.121 1.00 0.00 N ATOM 0 H GLN A 52 26.699 4.021 0.662 1.00 0.00 H new ATOM 0 HA GLN A 52 28.467 2.715 -1.325 1.00 0.00 H new ATOM 0 HB2 GLN A 52 25.772 1.740 -0.303 1.00 0.00 H new ATOM 0 HB3 GLN A 52 27.102 0.783 -0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 52 27.187 2.429 1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 52 26.963 0.692 1.586 1.00 0.00 H new ATOM 0 HE21 GLN A 52 28.820 0.019 -0.512 1.00 0.00 H new ATOM 0 HE22 GLN A 52 30.448 0.390 0.064 1.00 0.00 H new ATOM 704 N THR A 53 26.849 2.668 -3.345 1.00 0.00 N ATOM 705 CA THR A 53 26.059 2.982 -4.569 1.00 0.00 C ATOM 706 C THR A 53 25.012 1.887 -4.786 1.00 0.00 C ATOM 707 O THR A 53 25.333 0.773 -5.150 1.00 0.00 O ATOM 708 CB THR A 53 27.004 3.051 -5.775 1.00 0.00 C ATOM 709 OG1 THR A 53 27.665 4.307 -5.782 1.00 0.00 O ATOM 710 CG2 THR A 53 26.212 2.887 -7.075 1.00 0.00 C ATOM 0 H THR A 53 27.570 1.957 -3.465 1.00 0.00 H new ATOM 0 HA THR A 53 25.556 3.942 -4.453 1.00 0.00 H new ATOM 0 HB THR A 53 27.736 2.247 -5.701 1.00 0.00 H new ATOM 0 HG1 THR A 53 28.271 4.353 -6.551 1.00 0.00 H new ATOM 0 HG21 THR A 53 26.893 2.938 -7.925 1.00 0.00 H new ATOM 0 HG22 THR A 53 25.705 1.922 -7.073 1.00 0.00 H new ATOM 0 HG23 THR A 53 25.473 3.685 -7.154 1.00 0.00 H new ATOM 718 N GLY A 54 23.759 2.196 -4.583 1.00 0.00 N ATOM 719 CA GLY A 54 22.704 1.164 -4.779 1.00 0.00 C ATOM 720 C GLY A 54 21.626 1.674 -5.735 1.00 0.00 C ATOM 721 O GLY A 54 21.048 2.724 -5.534 1.00 0.00 O ATOM 0 H GLY A 54 23.423 3.114 -4.291 1.00 0.00 H new ATOM 0 HA2 GLY A 54 23.149 0.252 -5.177 1.00 0.00 H new ATOM 0 HA3 GLY A 54 22.255 0.908 -3.819 1.00 0.00 H new ATOM 725 N TYR A 55 21.353 0.937 -6.778 1.00 0.00 N ATOM 726 CA TYR A 55 20.315 1.370 -7.746 1.00 0.00 C ATOM 727 C TYR A 55 18.938 1.048 -7.165 1.00 0.00 C ATOM 728 O TYR A 55 18.685 -0.058 -6.729 1.00 0.00 O ATOM 729 CB TYR A 55 20.498 0.612 -9.061 1.00 0.00 C ATOM 730 CG TYR A 55 21.986 0.512 -9.405 1.00 0.00 C ATOM 731 CD1 TYR A 55 22.885 1.432 -8.905 1.00 0.00 C ATOM 732 CD2 TYR A 55 22.449 -0.499 -10.222 1.00 0.00 C ATOM 733 CE1 TYR A 55 24.226 1.341 -9.219 1.00 0.00 C ATOM 734 CE2 TYR A 55 23.790 -0.589 -10.536 1.00 0.00 C ATOM 735 CZ TYR A 55 24.689 0.330 -10.036 1.00 0.00 C ATOM 736 OH TYR A 55 26.030 0.240 -10.348 1.00 0.00 O ATOM 0 H TYR A 55 21.808 0.051 -6.999 1.00 0.00 H new ATOM 0 HA TYR A 55 20.402 2.441 -7.931 1.00 0.00 H new ATOM 0 HB2 TYR A 55 20.068 -0.386 -8.978 1.00 0.00 H new ATOM 0 HB3 TYR A 55 19.965 1.123 -9.862 1.00 0.00 H new ATOM 0 HD1 TYR A 55 22.537 2.228 -8.264 1.00 0.00 H new ATOM 0 HD2 TYR A 55 21.756 -1.226 -10.619 1.00 0.00 H new ATOM 0 HE1 TYR A 55 24.919 2.068 -8.822 1.00 0.00 H new ATOM 0 HE2 TYR A 55 24.138 -1.385 -11.178 1.00 0.00 H new ATOM 0 HH TYR A 55 26.179 -0.532 -10.933 1.00 0.00 H new ATOM 746 N ILE A 56 18.045 1.997 -7.151 1.00 0.00 N ATOM 747 CA ILE A 56 16.690 1.725 -6.592 1.00 0.00 C ATOM 748 C ILE A 56 15.656 1.786 -7.725 1.00 0.00 C ATOM 749 O ILE A 56 15.483 2.819 -8.340 1.00 0.00 O ATOM 750 CB ILE A 56 16.356 2.779 -5.528 1.00 0.00 C ATOM 751 CG1 ILE A 56 16.259 4.158 -6.184 1.00 0.00 C ATOM 752 CG2 ILE A 56 17.464 2.802 -4.472 1.00 0.00 C ATOM 753 CD1 ILE A 56 14.798 4.471 -6.507 1.00 0.00 C ATOM 0 H ILE A 56 18.192 2.944 -7.500 1.00 0.00 H new ATOM 0 HA ILE A 56 16.671 0.735 -6.135 1.00 0.00 H new ATOM 0 HB ILE A 56 15.404 2.530 -5.059 1.00 0.00 H new ATOM 0 HG12 ILE A 56 16.665 4.918 -5.517 1.00 0.00 H new ATOM 0 HG13 ILE A 56 16.856 4.181 -7.095 1.00 0.00 H new ATOM 0 HG21 ILE A 56 17.229 3.550 -3.715 1.00 0.00 H new ATOM 0 HG22 ILE A 56 17.539 1.821 -4.002 1.00 0.00 H new ATOM 0 HG23 ILE A 56 18.413 3.051 -4.946 1.00 0.00 H new ATOM 0 HD11 ILE A 56 14.731 5.454 -6.974 1.00 0.00 H new ATOM 0 HD12 ILE A 56 14.407 3.717 -7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 56 14.213 4.466 -5.587 1.00 0.00 H new ATOM 765 N PRO A 57 15.001 0.677 -7.977 1.00 0.00 N ATOM 766 CA PRO A 57 13.981 0.601 -9.038 1.00 0.00 C ATOM 767 C PRO A 57 12.878 1.634 -8.787 1.00 0.00 C ATOM 768 O PRO A 57 12.619 2.019 -7.664 1.00 0.00 O ATOM 769 CB PRO A 57 13.427 -0.827 -8.952 1.00 0.00 C ATOM 770 CG PRO A 57 14.210 -1.569 -7.838 1.00 0.00 C ATOM 771 CD PRO A 57 15.217 -0.578 -7.234 1.00 0.00 C ATOM 0 HA PRO A 57 14.390 0.816 -10.025 1.00 0.00 H new ATOM 0 HB2 PRO A 57 12.361 -0.811 -8.725 1.00 0.00 H new ATOM 0 HB3 PRO A 57 13.542 -1.340 -9.907 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.528 -1.936 -7.071 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.727 -2.437 -8.247 1.00 0.00 H new ATOM 0 HD2 PRO A 57 15.045 -0.440 -6.166 1.00 0.00 H new ATOM 0 HD3 PRO A 57 16.241 -0.935 -7.349 1.00 0.00 H new ATOM 779 N SER A 58 12.229 2.084 -9.825 1.00 0.00 N ATOM 780 CA SER A 58 11.144 3.092 -9.652 1.00 0.00 C ATOM 781 C SER A 58 9.968 2.466 -8.897 1.00 0.00 C ATOM 782 O SER A 58 9.072 3.153 -8.447 1.00 0.00 O ATOM 783 CB SER A 58 10.669 3.567 -11.027 1.00 0.00 C ATOM 784 OG SER A 58 9.487 2.869 -11.389 1.00 0.00 O ATOM 0 H SER A 58 12.403 1.797 -10.788 1.00 0.00 H new ATOM 0 HA SER A 58 11.527 3.938 -9.082 1.00 0.00 H new ATOM 0 HB2 SER A 58 10.478 4.640 -11.006 1.00 0.00 H new ATOM 0 HB3 SER A 58 11.447 3.396 -11.771 1.00 0.00 H new ATOM 0 HG SER A 58 9.183 3.175 -12.269 1.00 0.00 H new ATOM 790 N ASN A 59 9.961 1.170 -8.752 1.00 0.00 N ATOM 791 CA ASN A 59 8.838 0.510 -8.026 1.00 0.00 C ATOM 792 C ASN A 59 9.093 0.570 -6.518 1.00 0.00 C ATOM 793 O ASN A 59 8.332 0.044 -5.731 1.00 0.00 O ATOM 794 CB ASN A 59 8.735 -0.951 -8.467 1.00 0.00 C ATOM 795 CG ASN A 59 7.980 -1.029 -9.795 1.00 0.00 C ATOM 796 OD1 ASN A 59 8.253 -0.276 -10.707 1.00 0.00 O ATOM 797 ND2 ASN A 59 7.033 -1.916 -9.942 1.00 0.00 N ATOM 0 H ASN A 59 10.682 0.540 -9.104 1.00 0.00 H new ATOM 0 HA ASN A 59 7.906 1.027 -8.256 1.00 0.00 H new ATOM 0 HB2 ASN A 59 9.731 -1.380 -8.576 1.00 0.00 H new ATOM 0 HB3 ASN A 59 8.217 -1.536 -7.707 1.00 0.00 H new ATOM 0 HD21 ASN A 59 6.523 -1.976 -10.823 1.00 0.00 H new ATOM 0 HD22 ASN A 59 6.804 -2.549 -9.176 1.00 0.00 H new ATOM 804 N TYR A 60 10.156 1.207 -6.109 1.00 0.00 N ATOM 805 CA TYR A 60 10.455 1.297 -4.652 1.00 0.00 C ATOM 806 C TYR A 60 10.807 2.745 -4.297 1.00 0.00 C ATOM 807 O TYR A 60 11.401 3.016 -3.273 1.00 0.00 O ATOM 808 CB TYR A 60 11.640 0.384 -4.310 1.00 0.00 C ATOM 809 CG TYR A 60 11.325 -1.064 -4.715 1.00 0.00 C ATOM 810 CD1 TYR A 60 11.043 -1.387 -6.029 1.00 0.00 C ATOM 811 CD2 TYR A 60 11.290 -2.065 -3.763 1.00 0.00 C ATOM 812 CE1 TYR A 60 10.727 -2.685 -6.379 1.00 0.00 C ATOM 813 CE2 TYR A 60 10.972 -3.359 -4.113 1.00 0.00 C ATOM 814 CZ TYR A 60 10.689 -3.680 -5.425 1.00 0.00 C ATOM 815 OH TYR A 60 10.375 -4.977 -5.776 1.00 0.00 O ATOM 0 H TYR A 60 10.830 1.669 -6.720 1.00 0.00 H new ATOM 0 HA TYR A 60 9.581 0.981 -4.082 1.00 0.00 H new ATOM 0 HB2 TYR A 60 12.535 0.728 -4.828 1.00 0.00 H new ATOM 0 HB3 TYR A 60 11.851 0.433 -3.242 1.00 0.00 H new ATOM 0 HD1 TYR A 60 11.070 -0.619 -6.788 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.514 -1.830 -2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 60 10.508 -2.923 -7.409 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.944 -4.128 -3.355 1.00 0.00 H new ATOM 0 HH TYR A 60 10.396 -5.546 -4.978 1.00 0.00 H new ATOM 825 N VAL A 61 10.445 3.678 -5.140 1.00 0.00 N ATOM 826 CA VAL A 61 10.756 5.111 -4.853 1.00 0.00 C ATOM 827 C VAL A 61 9.650 5.995 -5.433 1.00 0.00 C ATOM 828 O VAL A 61 8.614 5.518 -5.853 1.00 0.00 O ATOM 829 CB VAL A 61 12.116 5.476 -5.475 1.00 0.00 C ATOM 830 CG1 VAL A 61 11.951 5.854 -6.953 1.00 0.00 C ATOM 831 CG2 VAL A 61 12.737 6.647 -4.712 1.00 0.00 C ATOM 0 H VAL A 61 9.948 3.510 -6.014 1.00 0.00 H new ATOM 0 HA VAL A 61 10.808 5.270 -3.776 1.00 0.00 H new ATOM 0 HB VAL A 61 12.771 4.608 -5.407 1.00 0.00 H new ATOM 0 HG11 VAL A 61 12.924 6.109 -7.374 1.00 0.00 H new ATOM 0 HG12 VAL A 61 11.529 5.011 -7.499 1.00 0.00 H new ATOM 0 HG13 VAL A 61 11.284 6.712 -7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 61 13.699 6.901 -5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 61 12.073 7.510 -4.766 1.00 0.00 H new ATOM 0 HG23 VAL A 61 12.882 6.366 -3.669 1.00 0.00 H new ATOM 841 N ALA A 62 9.868 7.277 -5.460 1.00 0.00 N ATOM 842 CA ALA A 62 8.837 8.203 -6.010 1.00 0.00 C ATOM 843 C ALA A 62 9.130 9.632 -5.540 1.00 0.00 C ATOM 844 O ALA A 62 9.653 9.832 -4.461 1.00 0.00 O ATOM 845 CB ALA A 62 7.453 7.780 -5.512 1.00 0.00 C ATOM 0 H ALA A 62 10.719 7.728 -5.124 1.00 0.00 H new ATOM 0 HA ALA A 62 8.861 8.165 -7.099 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.699 8.457 -5.914 1.00 0.00 H new ATOM 0 HB2 ALA A 62 7.242 6.763 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.431 7.818 -4.423 1.00 0.00 H new ATOM 851 N PRO A 63 8.782 10.585 -6.368 1.00 0.00 N ATOM 852 CA PRO A 63 8.998 12.011 -6.060 1.00 0.00 C ATOM 853 C PRO A 63 8.211 12.406 -4.807 1.00 0.00 C ATOM 854 O PRO A 63 7.011 12.227 -4.734 1.00 0.00 O ATOM 855 CB PRO A 63 8.468 12.763 -7.288 1.00 0.00 C ATOM 856 CG PRO A 63 7.938 11.709 -8.295 1.00 0.00 C ATOM 857 CD PRO A 63 8.148 10.319 -7.673 1.00 0.00 C ATOM 0 HA PRO A 63 10.045 12.239 -5.861 1.00 0.00 H new ATOM 0 HB2 PRO A 63 7.673 13.451 -7.001 1.00 0.00 H new ATOM 0 HB3 PRO A 63 9.259 13.361 -7.741 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.882 11.878 -8.505 1.00 0.00 H new ATOM 0 HG3 PRO A 63 8.468 11.787 -9.244 1.00 0.00 H new ATOM 0 HD2 PRO A 63 7.202 9.792 -7.553 1.00 0.00 H new ATOM 0 HD3 PRO A 63 8.783 9.695 -8.302 1.00 0.00 H new ATOM 865 N SER A 64 8.874 12.945 -3.821 1.00 0.00 N ATOM 866 CA SER A 64 8.162 13.351 -2.577 1.00 0.00 C ATOM 867 C SER A 64 9.182 13.768 -1.516 1.00 0.00 C ATOM 868 O SER A 64 9.606 14.911 -1.546 1.00 0.00 O ATOM 869 CB SER A 64 7.337 12.173 -2.055 1.00 0.00 C ATOM 870 OG SER A 64 7.776 10.974 -2.676 1.00 0.00 O ATOM 871 OXT SER A 64 9.521 12.936 -0.689 1.00 0.00 O ATOM 0 H SER A 64 9.879 13.122 -3.823 1.00 0.00 H new ATOM 0 HA SER A 64 7.502 14.190 -2.795 1.00 0.00 H new ATOM 0 HB2 SER A 64 7.441 12.094 -0.973 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.279 12.336 -2.262 1.00 0.00 H new ATOM 0 HG SER A 64 7.248 10.220 -2.341 1.00 0.00 H new