USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 337 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 17 THR OG1 : rot 121:sc= -0.39 USER MOD Set 1.2: A 33 ASN : amide:sc= -0.763 K(o=-1.2,f=-3.7!) USER MOD Set 1.3: A 36 ASN : amide:sc= 0 X(o=-1.2,f=-1.2) USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -48:sc= 0.135 USER MOD Single : A 11 TYR OH : rot -53:sc= -0.981 USER MOD Single : A 13 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0209) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= 0.26 F(o=-1.4,f=0.26) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 1:sc= -0.0188 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -0.0675 K(o=-0.068,f=-0.81) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.011 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -0.609 X(o=-0.61,f=-0.14) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -15.894 12.094 2.229 1.00 0.00 N ATOM 2 CA LEU A 1 -14.650 11.351 2.129 1.00 0.00 C ATOM 3 C LEU A 1 -14.752 10.077 2.970 1.00 0.00 C ATOM 4 O LEU A 1 -14.987 10.142 4.175 1.00 0.00 O ATOM 5 CB LEU A 1 -13.462 12.241 2.504 1.00 0.00 C ATOM 6 CG LEU A 1 -12.787 12.981 1.347 1.00 0.00 C ATOM 7 CD1 LEU A 1 -13.186 14.459 1.335 1.00 0.00 C ATOM 8 CD2 LEU A 1 -11.269 12.797 1.391 1.00 0.00 C ATOM 0 H1 LEU A 1 -15.828 12.961 1.658 1.00 0.00 H new ATOM 0 H2 LEU A 1 -16.678 11.508 1.878 1.00 0.00 H new ATOM 0 H3 LEU A 1 -16.069 12.346 3.223 1.00 0.00 H new ATOM 0 HA LEU A 1 -14.474 11.041 1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -13.801 12.978 3.232 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -12.713 11.624 3.000 1.00 0.00 H new ATOM 0 HG LEU A 1 -13.137 12.545 0.411 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -12.693 14.962 0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -14.267 14.543 1.221 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -12.883 14.925 2.272 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -10.813 13.333 0.558 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -10.882 13.190 2.331 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -11.029 11.737 1.315 1.00 0.00 H new ATOM 19 N ALA A 2 -14.571 8.948 2.300 1.00 0.00 N ATOM 20 CA ALA A 2 -14.640 7.661 2.971 1.00 0.00 C ATOM 21 C ALA A 2 -14.027 6.587 2.069 1.00 0.00 C ATOM 22 O ALA A 2 -14.351 6.508 0.885 1.00 0.00 O ATOM 23 CB ALA A 2 -16.093 7.355 3.338 1.00 0.00 C ATOM 0 H ALA A 2 -14.377 8.898 1.300 1.00 0.00 H new ATOM 0 HA ALA A 2 -14.066 7.679 3.898 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -16.146 6.390 3.841 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -16.472 8.132 4.002 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -16.699 7.325 2.432 1.00 0.00 H new ATOM 29 N ALA A 3 -13.154 5.788 2.663 1.00 0.00 N ATOM 30 CA ALA A 3 -12.493 4.722 1.929 1.00 0.00 C ATOM 31 C ALA A 3 -11.678 3.868 2.901 1.00 0.00 C ATOM 32 O ALA A 3 -11.435 4.273 4.037 1.00 0.00 O ATOM 33 CB ALA A 3 -11.632 5.327 0.818 1.00 0.00 C ATOM 0 H ALA A 3 -12.888 5.857 3.645 1.00 0.00 H new ATOM 0 HA ALA A 3 -13.226 4.070 1.455 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -11.136 4.528 0.267 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -12.264 5.899 0.138 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -10.882 5.986 1.257 1.00 0.00 H new ATOM 39 N VAL A 4 -11.278 2.700 2.419 1.00 0.00 N ATOM 40 CA VAL A 4 -10.494 1.785 3.232 1.00 0.00 C ATOM 41 C VAL A 4 -9.213 2.485 3.690 1.00 0.00 C ATOM 42 O VAL A 4 -8.938 3.611 3.281 1.00 0.00 O ATOM 43 CB VAL A 4 -10.225 0.495 2.454 1.00 0.00 C ATOM 44 CG1 VAL A 4 -9.211 0.732 1.334 1.00 0.00 C ATOM 45 CG2 VAL A 4 -9.757 -0.621 3.390 1.00 0.00 C ATOM 0 H VAL A 4 -11.482 2.367 1.477 1.00 0.00 H new ATOM 0 HA VAL A 4 -11.046 1.501 4.128 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.162 0.178 1.996 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -9.038 -0.200 0.797 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.599 1.481 0.644 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -8.272 1.084 1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -9.573 -1.527 2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -8.837 -0.316 3.889 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -10.527 -0.817 4.136 1.00 0.00 H new ATOM 55 N SER A 5 -8.466 1.789 4.534 1.00 0.00 N ATOM 56 CA SER A 5 -7.221 2.329 5.052 1.00 0.00 C ATOM 57 C SER A 5 -6.226 1.197 5.310 1.00 0.00 C ATOM 58 O SER A 5 -6.565 0.200 5.946 1.00 0.00 O ATOM 59 CB SER A 5 -7.460 3.128 6.335 1.00 0.00 C ATOM 60 OG SER A 5 -6.439 4.099 6.557 1.00 0.00 O ATOM 0 H SER A 5 -8.699 0.855 4.872 1.00 0.00 H new ATOM 0 HA SER A 5 -6.805 3.006 4.306 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.428 3.626 6.277 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.503 2.446 7.184 1.00 0.00 H new ATOM 0 HG SER A 5 -6.628 4.589 7.384 1.00 0.00 H new ATOM 65 N VAL A 6 -5.016 1.387 4.804 1.00 0.00 N ATOM 66 CA VAL A 6 -3.969 0.394 4.971 1.00 0.00 C ATOM 67 C VAL A 6 -3.132 0.745 6.203 1.00 0.00 C ATOM 68 O VAL A 6 -3.095 1.900 6.625 1.00 0.00 O ATOM 69 CB VAL A 6 -3.137 0.290 3.692 1.00 0.00 C ATOM 70 CG1 VAL A 6 -2.143 -0.869 3.778 1.00 0.00 C ATOM 71 CG2 VAL A 6 -4.037 0.152 2.462 1.00 0.00 C ATOM 0 H VAL A 6 -4.738 2.215 4.278 1.00 0.00 H new ATOM 0 HA VAL A 6 -4.401 -0.592 5.142 1.00 0.00 H new ATOM 0 HB VAL A 6 -2.567 1.213 3.587 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.564 -0.921 2.856 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.470 -0.709 4.621 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -2.685 -1.804 3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.420 0.080 1.566 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -4.647 -0.747 2.556 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -4.686 1.024 2.386 1.00 0.00 H new ATOM 81 N ASP A 7 -2.479 -0.273 6.744 1.00 0.00 N ATOM 82 CA ASP A 7 -1.644 -0.087 7.920 1.00 0.00 C ATOM 83 C ASP A 7 -0.183 0.044 7.486 1.00 0.00 C ATOM 84 O ASP A 7 0.301 -0.746 6.678 1.00 0.00 O ATOM 85 CB ASP A 7 -1.750 -1.283 8.866 1.00 0.00 C ATOM 86 CG ASP A 7 -0.929 -1.166 10.151 1.00 0.00 C ATOM 87 OD1 ASP A 7 0.053 -0.411 10.215 1.00 0.00 O ATOM 88 OD2 ASP A 7 -1.338 -1.902 11.130 1.00 0.00 O ATOM 0 H ASP A 7 -2.511 -1.229 6.390 1.00 0.00 H new ATOM 0 HA ASP A 7 -1.983 0.811 8.436 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -2.797 -1.424 9.133 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -1.434 -2.179 8.331 1.00 0.00 H new ATOM 93 N CYS A 8 0.479 1.049 8.042 1.00 0.00 N ATOM 94 CA CYS A 8 1.874 1.294 7.723 1.00 0.00 C ATOM 95 C CYS A 8 2.560 1.860 8.968 1.00 0.00 C ATOM 96 O CYS A 8 3.610 2.493 8.869 1.00 0.00 O ATOM 97 CB CYS A 8 2.024 2.223 6.516 1.00 0.00 C ATOM 98 SG CYS A 8 3.745 2.459 5.938 1.00 0.00 S ATOM 0 H CYS A 8 0.074 1.703 8.712 1.00 0.00 H new ATOM 0 HA CYS A 8 2.354 0.358 7.439 1.00 0.00 H new ATOM 0 HB2 CYS A 8 1.431 1.825 5.693 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.604 3.196 6.770 1.00 0.00 H new ATOM 102 N SER A 9 1.938 1.613 10.110 1.00 0.00 N ATOM 103 CA SER A 9 2.475 2.090 11.373 1.00 0.00 C ATOM 104 C SER A 9 3.384 1.025 11.992 1.00 0.00 C ATOM 105 O SER A 9 3.611 1.024 13.200 1.00 0.00 O ATOM 106 CB SER A 9 1.352 2.458 12.345 1.00 0.00 C ATOM 107 OG SER A 9 1.816 3.286 13.408 1.00 0.00 O ATOM 0 H SER A 9 1.067 1.088 10.188 1.00 0.00 H new ATOM 0 HA SER A 9 3.060 2.989 11.178 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.559 2.973 11.804 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.917 1.548 12.758 1.00 0.00 H new ATOM 0 HG SER A 9 2.629 2.898 13.794 1.00 0.00 H new ATOM 112 N GLU A 10 3.879 0.145 11.133 1.00 0.00 N ATOM 113 CA GLU A 10 4.758 -0.922 11.580 1.00 0.00 C ATOM 114 C GLU A 10 5.915 -1.104 10.596 1.00 0.00 C ATOM 115 O GLU A 10 6.626 -2.106 10.647 1.00 0.00 O ATOM 116 CB GLU A 10 3.984 -2.228 11.765 1.00 0.00 C ATOM 117 CG GLU A 10 2.925 -2.398 10.673 1.00 0.00 C ATOM 118 CD GLU A 10 3.541 -2.235 9.282 1.00 0.00 C ATOM 119 OE1 GLU A 10 3.043 -1.439 8.472 1.00 0.00 O ATOM 120 OE2 GLU A 10 4.575 -2.973 9.055 1.00 0.00 O ATOM 0 H GLU A 10 3.688 0.149 10.131 1.00 0.00 H new ATOM 0 HA GLU A 10 5.172 -0.643 12.549 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.675 -3.071 11.741 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.506 -2.236 12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 10 2.465 -3.382 10.758 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.133 -1.663 10.812 1.00 0.00 H new ATOM 126 N TYR A 11 6.067 -0.119 9.723 1.00 0.00 N ATOM 127 CA TYR A 11 7.125 -0.158 8.728 1.00 0.00 C ATOM 128 C TYR A 11 8.338 0.657 9.184 1.00 0.00 C ATOM 129 O TYR A 11 8.213 1.540 10.030 1.00 0.00 O ATOM 130 CB TYR A 11 6.542 0.482 7.466 1.00 0.00 C ATOM 131 CG TYR A 11 6.442 -0.473 6.274 1.00 0.00 C ATOM 132 CD1 TYR A 11 5.419 -1.397 6.213 1.00 0.00 C ATOM 133 CD2 TYR A 11 7.376 -0.409 5.260 1.00 0.00 C ATOM 134 CE1 TYR A 11 5.326 -2.295 5.091 1.00 0.00 C ATOM 135 CE2 TYR A 11 7.282 -1.307 4.137 1.00 0.00 C ATOM 136 CZ TYR A 11 6.262 -2.205 4.109 1.00 0.00 C ATOM 137 OH TYR A 11 6.174 -3.053 3.049 1.00 0.00 O ATOM 0 H TYR A 11 5.475 0.711 9.684 1.00 0.00 H new ATOM 0 HA TYR A 11 7.457 -1.183 8.562 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.549 0.869 7.693 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.160 1.335 7.185 1.00 0.00 H new ATOM 0 HD1 TYR A 11 4.688 -1.447 7.007 1.00 0.00 H new ATOM 0 HD2 TYR A 11 8.177 0.314 5.308 1.00 0.00 H new ATOM 0 HE1 TYR A 11 4.531 -3.023 5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 11 8.005 -1.267 3.336 1.00 0.00 H new ATOM 0 HH TYR A 11 6.116 -3.976 3.373 1.00 0.00 H new ATOM 146 N PRO A 12 9.513 0.322 8.587 1.00 0.00 N ATOM 147 CA PRO A 12 9.573 -0.737 7.594 1.00 0.00 C ATOM 148 C PRO A 12 9.476 -2.114 8.255 1.00 0.00 C ATOM 149 O PRO A 12 10.019 -2.327 9.337 1.00 0.00 O ATOM 150 CB PRO A 12 10.889 -0.519 6.866 1.00 0.00 C ATOM 151 CG PRO A 12 11.728 0.362 7.776 1.00 0.00 C ATOM 152 CD PRO A 12 10.811 0.940 8.842 1.00 0.00 C ATOM 0 HA PRO A 12 8.737 -0.707 6.895 1.00 0.00 H new ATOM 0 HB2 PRO A 12 11.389 -1.468 6.671 1.00 0.00 H new ATOM 0 HB3 PRO A 12 10.726 -0.040 5.900 1.00 0.00 H new ATOM 0 HG2 PRO A 12 12.529 -0.217 8.235 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.200 1.161 7.204 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.171 0.706 9.844 1.00 0.00 H new ATOM 0 HD3 PRO A 12 10.754 2.026 8.769 1.00 0.00 H new ATOM 157 N LYS A 13 8.779 -3.014 7.575 1.00 0.00 N ATOM 158 CA LYS A 13 8.603 -4.364 8.082 1.00 0.00 C ATOM 159 C LYS A 13 9.833 -5.202 7.723 1.00 0.00 C ATOM 160 O LYS A 13 10.462 -4.976 6.690 1.00 0.00 O ATOM 161 CB LYS A 13 7.286 -4.957 7.580 1.00 0.00 C ATOM 162 CG LYS A 13 6.317 -5.198 8.739 1.00 0.00 C ATOM 163 CD LYS A 13 4.891 -5.415 8.225 1.00 0.00 C ATOM 164 CE LYS A 13 4.728 -6.817 7.636 1.00 0.00 C ATOM 165 NZ LYS A 13 4.579 -7.818 8.717 1.00 0.00 N ATOM 0 H LYS A 13 8.330 -2.834 6.677 1.00 0.00 H new ATOM 0 HA LYS A 13 8.528 -4.357 9.169 1.00 0.00 H new ATOM 0 HB2 LYS A 13 6.831 -4.281 6.856 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.480 -5.896 7.062 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.638 -6.069 9.311 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.337 -4.345 9.418 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.181 -5.275 9.040 1.00 0.00 H new ATOM 0 HD3 LYS A 13 4.657 -4.668 7.466 1.00 0.00 H new ATOM 0 HE2 LYS A 13 3.855 -6.845 6.983 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.594 -7.063 7.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 4.335 -8.741 8.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.474 -7.899 9.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 3.824 -7.518 9.366 1.00 0.00 H new ATOM 175 N ASP A 14 10.136 -6.152 8.595 1.00 0.00 N ATOM 176 CA ASP A 14 11.278 -7.025 8.384 1.00 0.00 C ATOM 177 C ASP A 14 11.006 -7.931 7.181 1.00 0.00 C ATOM 178 O ASP A 14 11.867 -8.099 6.318 1.00 0.00 O ATOM 179 CB ASP A 14 11.523 -7.917 9.602 1.00 0.00 C ATOM 180 CG ASP A 14 12.627 -7.437 10.544 1.00 0.00 C ATOM 181 OD1 ASP A 14 12.376 -7.130 11.719 1.00 0.00 O ATOM 182 OD2 ASP A 14 13.806 -7.383 10.021 1.00 0.00 O ATOM 0 H ASP A 14 9.610 -6.336 9.449 1.00 0.00 H new ATOM 0 HA ASP A 14 12.154 -6.399 8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 14 10.594 -7.998 10.167 1.00 0.00 H new ATOM 0 HB3 ASP A 14 11.773 -8.919 9.255 1.00 0.00 H new ATOM 187 N ALA A 15 9.806 -8.490 7.162 1.00 0.00 N ATOM 188 CA ALA A 15 9.409 -9.374 6.079 1.00 0.00 C ATOM 189 C ALA A 15 8.186 -8.788 5.369 1.00 0.00 C ATOM 190 O ALA A 15 7.270 -8.285 6.017 1.00 0.00 O ATOM 191 CB ALA A 15 9.145 -10.775 6.634 1.00 0.00 C ATOM 0 H ALA A 15 9.095 -8.348 7.879 1.00 0.00 H new ATOM 0 HA ALA A 15 10.208 -9.460 5.342 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.847 -11.438 5.822 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.052 -11.158 7.101 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.347 -10.728 7.375 1.00 0.00 H new ATOM 197 N CYS A 16 8.212 -8.873 4.047 1.00 0.00 N ATOM 198 CA CYS A 16 7.117 -8.358 3.242 1.00 0.00 C ATOM 199 C CYS A 16 6.054 -9.452 3.121 1.00 0.00 C ATOM 200 O CYS A 16 6.218 -10.545 3.661 1.00 0.00 O ATOM 201 CB CYS A 16 7.599 -7.876 1.874 1.00 0.00 C ATOM 202 SG CYS A 16 8.120 -6.123 1.816 1.00 0.00 S ATOM 0 H CYS A 16 8.974 -9.291 3.513 1.00 0.00 H new ATOM 0 HA CYS A 16 6.684 -7.484 3.729 1.00 0.00 H new ATOM 0 HB2 CYS A 16 8.436 -8.499 1.559 1.00 0.00 H new ATOM 0 HB3 CYS A 16 6.799 -8.027 1.149 1.00 0.00 H new ATOM 206 N THR A 17 4.987 -9.119 2.409 1.00 0.00 N ATOM 207 CA THR A 17 3.897 -10.060 2.210 1.00 0.00 C ATOM 208 C THR A 17 4.151 -10.914 0.967 1.00 0.00 C ATOM 209 O THR A 17 4.940 -10.538 0.101 1.00 0.00 O ATOM 210 CB THR A 17 2.592 -9.263 2.144 1.00 0.00 C ATOM 211 OG1 THR A 17 2.818 -8.311 1.107 1.00 0.00 O ATOM 212 CG2 THR A 17 2.364 -8.407 3.391 1.00 0.00 C ATOM 0 H THR A 17 4.854 -8.211 1.963 1.00 0.00 H new ATOM 0 HA THR A 17 3.824 -10.763 3.040 1.00 0.00 H new ATOM 0 HB THR A 17 1.755 -9.949 2.017 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.148 -8.430 0.402 1.00 0.00 H new ATOM 0 HG21 THR A 17 1.425 -7.863 3.292 1.00 0.00 H new ATOM 0 HG22 THR A 17 2.320 -9.050 4.270 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.184 -7.698 3.501 1.00 0.00 H new ATOM 220 N LEU A 18 3.468 -12.049 0.919 1.00 0.00 N ATOM 221 CA LEU A 18 3.610 -12.960 -0.204 1.00 0.00 C ATOM 222 C LEU A 18 2.309 -12.979 -1.008 1.00 0.00 C ATOM 223 O LEU A 18 2.307 -13.333 -2.185 1.00 0.00 O ATOM 224 CB LEU A 18 4.053 -14.341 0.281 1.00 0.00 C ATOM 225 CG LEU A 18 5.482 -14.438 0.819 1.00 0.00 C ATOM 226 CD1 LEU A 18 5.496 -14.404 2.348 1.00 0.00 C ATOM 227 CD2 LEU A 18 6.194 -15.674 0.266 1.00 0.00 C ATOM 0 H LEU A 18 2.815 -12.358 1.639 1.00 0.00 H new ATOM 0 HA LEU A 18 4.395 -12.616 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 18 3.368 -14.665 1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.949 -15.045 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 18 6.037 -13.566 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.524 -14.474 2.704 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.055 -13.470 2.695 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.919 -15.244 2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 18 7.208 -15.719 0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.648 -16.570 0.561 1.00 0.00 H new ATOM 0 HD23 LEU A 18 6.234 -15.615 -0.822 1.00 0.00 H new ATOM 238 N GLU A 19 1.232 -12.591 -0.339 1.00 0.00 N ATOM 239 CA GLU A 19 -0.073 -12.559 -0.977 1.00 0.00 C ATOM 240 C GLU A 19 -0.072 -11.565 -2.140 1.00 0.00 C ATOM 241 O GLU A 19 0.754 -10.654 -2.181 1.00 0.00 O ATOM 242 CB GLU A 19 -1.169 -12.217 0.034 1.00 0.00 C ATOM 243 CG GLU A 19 -1.041 -10.770 0.513 1.00 0.00 C ATOM 244 CD GLU A 19 -0.515 -10.712 1.949 1.00 0.00 C ATOM 245 OE1 GLU A 19 -0.005 -11.718 2.463 1.00 0.00 O ATOM 246 OE2 GLU A 19 -0.649 -9.570 2.533 1.00 0.00 O ATOM 0 H GLU A 19 1.237 -12.297 0.638 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.286 -13.552 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.148 -12.368 -0.421 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.106 -12.893 0.887 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.368 -10.223 -0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.012 -10.278 0.457 1.00 0.00 H new ATOM 252 N TYR A 20 -1.006 -11.773 -3.056 1.00 0.00 N ATOM 253 CA TYR A 20 -1.122 -10.907 -4.217 1.00 0.00 C ATOM 254 C TYR A 20 -2.377 -10.036 -4.128 1.00 0.00 C ATOM 255 O TYR A 20 -3.494 -10.535 -4.257 1.00 0.00 O ATOM 256 CB TYR A 20 -1.246 -11.835 -5.426 1.00 0.00 C ATOM 257 CG TYR A 20 -0.678 -11.250 -6.721 1.00 0.00 C ATOM 258 CD1 TYR A 20 -0.774 -9.896 -6.966 1.00 0.00 C ATOM 259 CD2 TYR A 20 -0.070 -12.077 -7.643 1.00 0.00 C ATOM 260 CE1 TYR A 20 -0.240 -9.345 -8.185 1.00 0.00 C ATOM 261 CE2 TYR A 20 0.464 -11.526 -8.862 1.00 0.00 C ATOM 262 CZ TYR A 20 0.352 -10.187 -9.073 1.00 0.00 C ATOM 263 OH TYR A 20 0.856 -9.667 -10.224 1.00 0.00 O ATOM 0 H TYR A 20 -1.690 -12.529 -3.018 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.261 -10.243 -4.287 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -0.733 -12.771 -5.207 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.298 -12.077 -5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.250 -9.249 -6.244 1.00 0.00 H new ATOM 0 HD2 TYR A 20 0.005 -13.137 -7.451 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.308 -8.287 -8.389 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.943 -12.162 -9.592 1.00 0.00 H new ATOM 0 HH TYR A 20 1.250 -10.385 -10.762 1.00 0.00 H new ATOM 272 N ARG A 21 -2.152 -8.750 -3.906 1.00 0.00 N ATOM 273 CA ARG A 21 -3.250 -7.805 -3.797 1.00 0.00 C ATOM 274 C ARG A 21 -2.854 -6.457 -4.404 1.00 0.00 C ATOM 275 O ARG A 21 -2.213 -5.640 -3.744 1.00 0.00 O ATOM 276 CB ARG A 21 -3.657 -7.599 -2.337 1.00 0.00 C ATOM 277 CG ARG A 21 -4.211 -8.892 -1.735 1.00 0.00 C ATOM 278 CD ARG A 21 -5.691 -9.068 -2.079 1.00 0.00 C ATOM 279 NE ARG A 21 -5.948 -10.459 -2.514 1.00 0.00 N ATOM 280 CZ ARG A 21 -7.170 -11.003 -2.607 1.00 0.00 C ATOM 281 NH1 ARG A 21 -8.252 -10.277 -2.298 1.00 0.00 N ATOM 282 NH2 ARG A 21 -7.308 -12.274 -3.010 1.00 0.00 N ATOM 0 H ARG A 21 -1.224 -8.340 -3.798 1.00 0.00 H new ATOM 0 HA ARG A 21 -4.098 -8.218 -4.344 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -2.795 -7.265 -1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -4.409 -6.812 -2.273 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -3.643 -9.744 -2.109 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -4.085 -8.876 -0.652 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -6.305 -8.831 -1.210 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -5.974 -8.373 -2.869 1.00 0.00 H new ATOM 0 HE ARG A 21 -5.146 -11.040 -2.758 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -8.147 -9.310 -1.992 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -9.181 -10.691 -2.369 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -6.484 -12.827 -3.246 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -8.237 -12.688 -3.081 1.00 0.00 H new ATOM 293 N PRO A 22 -3.260 -6.262 -5.687 1.00 0.00 N ATOM 294 CA PRO A 22 -2.954 -5.027 -6.389 1.00 0.00 C ATOM 295 C PRO A 22 -3.841 -3.881 -5.897 1.00 0.00 C ATOM 296 O PRO A 22 -5.061 -3.928 -6.044 1.00 0.00 O ATOM 297 CB PRO A 22 -3.162 -5.349 -7.860 1.00 0.00 C ATOM 298 CG PRO A 22 -4.020 -6.604 -7.894 1.00 0.00 C ATOM 299 CD PRO A 22 -4.020 -7.207 -6.499 1.00 0.00 C ATOM 0 HA PRO A 22 -1.935 -4.683 -6.210 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.655 -4.524 -8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.209 -5.514 -8.363 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.036 -6.363 -8.206 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -3.625 -7.317 -8.618 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -5.035 -7.328 -6.120 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -3.558 -8.194 -6.494 1.00 0.00 H new ATOM 304 N LEU A 23 -3.192 -2.879 -5.322 1.00 0.00 N ATOM 305 CA LEU A 23 -3.907 -1.724 -4.806 1.00 0.00 C ATOM 306 C LEU A 23 -3.567 -0.498 -5.658 1.00 0.00 C ATOM 307 O LEU A 23 -2.618 -0.525 -6.440 1.00 0.00 O ATOM 308 CB LEU A 23 -3.618 -1.535 -3.316 1.00 0.00 C ATOM 309 CG LEU A 23 -3.229 -2.798 -2.543 1.00 0.00 C ATOM 310 CD1 LEU A 23 -1.710 -2.974 -2.510 1.00 0.00 C ATOM 311 CD2 LEU A 23 -3.836 -2.790 -1.140 1.00 0.00 C ATOM 0 H LEU A 23 -2.180 -2.843 -5.202 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.983 -1.878 -4.881 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -2.814 -0.807 -3.212 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.502 -1.103 -2.847 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.641 -3.660 -3.067 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.460 -3.878 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.331 -3.057 -3.529 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.254 -2.112 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.544 -3.698 -0.612 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -3.474 -1.920 -0.592 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.923 -2.746 -1.214 1.00 0.00 H new ATOM 322 N CYS A 24 -4.360 0.547 -5.476 1.00 0.00 N ATOM 323 CA CYS A 24 -4.155 1.780 -6.217 1.00 0.00 C ATOM 324 C CYS A 24 -3.981 2.922 -5.214 1.00 0.00 C ATOM 325 O CYS A 24 -4.923 3.285 -4.512 1.00 0.00 O ATOM 326 CB CYS A 24 -5.301 2.049 -7.195 1.00 0.00 C ATOM 327 SG CYS A 24 -5.214 3.663 -8.054 1.00 0.00 S ATOM 0 H CYS A 24 -5.146 0.566 -4.826 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.256 1.695 -6.827 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -5.316 1.256 -7.942 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -6.244 1.993 -6.652 1.00 0.00 H new ATOM 331 N GLY A 25 -2.768 3.455 -5.178 1.00 0.00 N ATOM 332 CA GLY A 25 -2.459 4.548 -4.271 1.00 0.00 C ATOM 333 C GLY A 25 -3.118 5.848 -4.734 1.00 0.00 C ATOM 334 O GLY A 25 -3.694 5.904 -5.820 1.00 0.00 O ATOM 0 H GLY A 25 -1.989 3.151 -5.761 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.802 4.300 -3.267 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -1.379 4.684 -4.214 1.00 0.00 H new ATOM 338 N SER A 26 -3.011 6.862 -3.889 1.00 0.00 N ATOM 339 CA SER A 26 -3.589 8.159 -4.198 1.00 0.00 C ATOM 340 C SER A 26 -2.792 8.835 -5.316 1.00 0.00 C ATOM 341 O SER A 26 -3.306 9.711 -6.010 1.00 0.00 O ATOM 342 CB SER A 26 -3.629 9.055 -2.958 1.00 0.00 C ATOM 343 OG SER A 26 -3.683 10.437 -3.301 1.00 0.00 O ATOM 0 H SER A 26 -2.532 6.812 -2.990 1.00 0.00 H new ATOM 0 HA SER A 26 -4.614 8.004 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 26 -4.498 8.797 -2.352 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.747 8.867 -2.346 1.00 0.00 H new ATOM 0 HG SER A 26 -3.709 10.976 -2.483 1.00 0.00 H new ATOM 348 N ASP A 27 -1.547 8.402 -5.456 1.00 0.00 N ATOM 349 CA ASP A 27 -0.674 8.954 -6.478 1.00 0.00 C ATOM 350 C ASP A 27 -0.774 8.101 -7.743 1.00 0.00 C ATOM 351 O ASP A 27 0.093 8.171 -8.614 1.00 0.00 O ATOM 352 CB ASP A 27 0.786 8.946 -6.016 1.00 0.00 C ATOM 353 CG ASP A 27 1.297 7.596 -5.511 1.00 0.00 C ATOM 354 OD1 ASP A 27 0.595 6.878 -4.784 1.00 0.00 O ATOM 355 OD2 ASP A 27 2.488 7.286 -5.899 1.00 0.00 O ATOM 0 H ASP A 27 -1.123 7.676 -4.879 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.987 9.980 -6.671 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.415 9.269 -6.845 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.904 9.682 -5.221 1.00 0.00 H new ATOM 360 N ASN A 28 -1.837 7.313 -7.806 1.00 0.00 N ATOM 361 CA ASN A 28 -2.061 6.447 -8.950 1.00 0.00 C ATOM 362 C ASN A 28 -0.908 5.447 -9.062 1.00 0.00 C ATOM 363 O ASN A 28 -0.452 5.141 -10.163 1.00 0.00 O ATOM 364 CB ASN A 28 -2.115 7.253 -10.249 1.00 0.00 C ATOM 365 CG ASN A 28 -2.744 6.435 -11.378 1.00 0.00 C ATOM 366 OD1 ASN A 28 -3.810 7.007 -11.931 1.00 0.00 O flip ATOM 367 ND2 ASN A 28 -2.293 5.356 -11.723 1.00 0.00 N flip ATOM 0 H ASN A 28 -2.553 7.256 -7.082 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.012 5.935 -8.803 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -2.691 8.165 -10.091 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -1.108 7.558 -10.534 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.471 4.974 -11.256 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -2.738 4.835 -12.479 1.00 0.00 H new ATOM 373 N LYS A 29 -0.470 4.967 -7.908 1.00 0.00 N ATOM 374 CA LYS A 29 0.622 4.009 -7.862 1.00 0.00 C ATOM 375 C LYS A 29 0.060 2.617 -7.567 1.00 0.00 C ATOM 376 O LYS A 29 -0.521 2.390 -6.507 1.00 0.00 O ATOM 377 CB LYS A 29 1.692 4.463 -6.868 1.00 0.00 C ATOM 378 CG LYS A 29 3.002 4.796 -7.587 1.00 0.00 C ATOM 379 CD LYS A 29 4.211 4.396 -6.739 1.00 0.00 C ATOM 380 CE LYS A 29 5.485 4.363 -7.583 1.00 0.00 C ATOM 381 NZ LYS A 29 6.122 3.029 -7.509 1.00 0.00 N ATOM 0 H LYS A 29 -0.851 5.223 -6.997 1.00 0.00 H new ATOM 0 HA LYS A 29 1.122 3.954 -8.829 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.339 5.339 -6.323 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.866 3.678 -6.132 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.037 4.277 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.042 5.864 -7.802 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.333 5.102 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.040 3.416 -6.294 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.248 4.602 -8.620 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.181 5.125 -7.231 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.986 3.024 -8.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.366 2.815 -6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.462 2.309 -7.866 1.00 0.00 H new ATOM 391 N THR A 30 0.253 1.721 -8.524 1.00 0.00 N ATOM 392 CA THR A 30 -0.227 0.357 -8.379 1.00 0.00 C ATOM 393 C THR A 30 0.781 -0.483 -7.594 1.00 0.00 C ATOM 394 O THR A 30 1.908 -0.686 -8.045 1.00 0.00 O ATOM 395 CB THR A 30 -0.519 -0.192 -9.777 1.00 0.00 C ATOM 396 OG1 THR A 30 -1.607 0.602 -10.242 1.00 0.00 O ATOM 397 CG2 THR A 30 -1.082 -1.614 -9.742 1.00 0.00 C ATOM 0 H THR A 30 0.735 1.913 -9.402 1.00 0.00 H new ATOM 0 HA THR A 30 -1.150 0.322 -7.801 1.00 0.00 H new ATOM 0 HB THR A 30 0.395 -0.179 -10.370 1.00 0.00 H new ATOM 0 HG1 THR A 30 -1.860 0.314 -11.144 1.00 0.00 H new ATOM 0 HG21 THR A 30 -1.271 -1.955 -10.760 1.00 0.00 H new ATOM 0 HG22 THR A 30 -0.362 -2.279 -9.264 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.014 -1.622 -9.177 1.00 0.00 H new ATOM 405 N TYR A 31 0.340 -0.949 -6.436 1.00 0.00 N ATOM 406 CA TYR A 31 1.191 -1.764 -5.584 1.00 0.00 C ATOM 407 C TYR A 31 0.708 -3.215 -5.554 1.00 0.00 C ATOM 408 O TYR A 31 -0.475 -3.476 -5.338 1.00 0.00 O ATOM 409 CB TYR A 31 1.073 -1.170 -4.179 1.00 0.00 C ATOM 410 CG TYR A 31 1.520 0.290 -4.081 1.00 0.00 C ATOM 411 CD1 TYR A 31 2.835 0.627 -4.330 1.00 0.00 C ATOM 412 CD2 TYR A 31 0.609 1.270 -3.743 1.00 0.00 C ATOM 413 CE1 TYR A 31 3.256 2.000 -4.238 1.00 0.00 C ATOM 414 CE2 TYR A 31 1.031 2.643 -3.650 1.00 0.00 C ATOM 415 CZ TYR A 31 2.333 2.941 -3.902 1.00 0.00 C ATOM 416 OH TYR A 31 2.731 4.238 -3.815 1.00 0.00 O ATOM 0 H TYR A 31 -0.595 -0.778 -6.067 1.00 0.00 H new ATOM 0 HA TYR A 31 2.217 -1.764 -5.953 1.00 0.00 H new ATOM 0 HB2 TYR A 31 0.037 -1.245 -3.850 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.670 -1.769 -3.491 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.548 -0.140 -4.594 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.420 1.007 -3.548 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.282 2.277 -4.431 1.00 0.00 H new ATOM 0 HE2 TYR A 31 0.328 3.419 -3.386 1.00 0.00 H new ATOM 0 HH TYR A 31 3.683 4.303 -4.036 1.00 0.00 H new ATOM 425 N GLY A 32 1.648 -4.123 -5.773 1.00 0.00 N ATOM 426 CA GLY A 32 1.333 -5.541 -5.774 1.00 0.00 C ATOM 427 C GLY A 32 0.621 -5.946 -4.481 1.00 0.00 C ATOM 428 O GLY A 32 -0.266 -6.798 -4.497 1.00 0.00 O ATOM 0 H GLY A 32 2.628 -3.904 -5.951 1.00 0.00 H new ATOM 0 HA2 GLY A 32 0.701 -5.776 -6.630 1.00 0.00 H new ATOM 0 HA3 GLY A 32 2.249 -6.121 -5.886 1.00 0.00 H new ATOM 432 N ASN A 33 1.036 -5.314 -3.393 1.00 0.00 N ATOM 433 CA ASN A 33 0.448 -5.597 -2.094 1.00 0.00 C ATOM 434 C ASN A 33 0.619 -4.379 -1.185 1.00 0.00 C ATOM 435 O ASN A 33 1.281 -3.410 -1.557 1.00 0.00 O ATOM 436 CB ASN A 33 1.140 -6.786 -1.425 1.00 0.00 C ATOM 437 CG ASN A 33 2.559 -6.972 -1.966 1.00 0.00 C ATOM 438 OD1 ASN A 33 3.243 -6.027 -2.323 1.00 0.00 O ATOM 439 ND2 ASN A 33 2.961 -8.239 -2.006 1.00 0.00 N ATOM 0 H ASN A 33 1.772 -4.608 -3.384 1.00 0.00 H new ATOM 0 HA ASN A 33 -0.606 -5.830 -2.244 1.00 0.00 H new ATOM 0 HB2 ASN A 33 1.176 -6.630 -0.347 1.00 0.00 H new ATOM 0 HB3 ASN A 33 0.560 -7.693 -1.597 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.893 -8.468 -2.351 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.337 -8.982 -1.691 1.00 0.00 H new ATOM 445 N LYS A 34 0.012 -4.466 -0.011 1.00 0.00 N ATOM 446 CA LYS A 34 0.089 -3.382 0.954 1.00 0.00 C ATOM 447 C LYS A 34 1.543 -3.196 1.390 1.00 0.00 C ATOM 448 O LYS A 34 1.891 -2.176 1.984 1.00 0.00 O ATOM 449 CB LYS A 34 -0.876 -3.630 2.116 1.00 0.00 C ATOM 450 CG LYS A 34 -0.242 -3.229 3.449 1.00 0.00 C ATOM 451 CD LYS A 34 -1.141 -3.618 4.623 1.00 0.00 C ATOM 452 CE LYS A 34 -0.403 -4.538 5.599 1.00 0.00 C ATOM 453 NZ LYS A 34 -1.332 -5.532 6.180 1.00 0.00 N ATOM 0 H LYS A 34 -0.536 -5.271 0.294 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.230 -2.444 0.500 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.793 -3.062 1.960 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.155 -4.683 2.144 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.729 -3.713 3.554 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.065 -2.154 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.473 -2.720 5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.035 -4.119 4.251 1.00 0.00 H new ATOM 0 HE2 LYS A 34 0.409 -5.050 5.082 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.049 -3.946 6.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.814 -6.147 6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -2.092 -5.039 6.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -1.743 -6.109 5.419 1.00 0.00 H new ATOM 463 N CYS A 35 2.354 -4.196 1.080 1.00 0.00 N ATOM 464 CA CYS A 35 3.762 -4.156 1.432 1.00 0.00 C ATOM 465 C CYS A 35 4.450 -3.117 0.544 1.00 0.00 C ATOM 466 O CYS A 35 5.097 -2.198 1.045 1.00 0.00 O ATOM 467 CB CYS A 35 4.417 -5.534 1.311 1.00 0.00 C ATOM 468 SG CYS A 35 6.084 -5.661 2.053 1.00 0.00 S ATOM 0 H CYS A 35 2.062 -5.040 0.588 1.00 0.00 H new ATOM 0 HA CYS A 35 3.869 -3.867 2.478 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.768 -6.272 1.783 1.00 0.00 H new ATOM 0 HB3 CYS A 35 4.484 -5.797 0.255 1.00 0.00 H new ATOM 472 N ASN A 36 4.287 -3.299 -0.758 1.00 0.00 N ATOM 473 CA ASN A 36 4.885 -2.389 -1.720 1.00 0.00 C ATOM 474 C ASN A 36 4.295 -0.989 -1.528 1.00 0.00 C ATOM 475 O ASN A 36 5.014 0.006 -1.592 1.00 0.00 O ATOM 476 CB ASN A 36 4.591 -2.832 -3.154 1.00 0.00 C ATOM 477 CG ASN A 36 5.836 -3.435 -3.808 1.00 0.00 C ATOM 478 OD1 ASN A 36 6.527 -2.800 -4.589 1.00 0.00 O ATOM 479 ND2 ASN A 36 6.082 -4.691 -3.449 1.00 0.00 N ATOM 0 H ASN A 36 3.750 -4.062 -1.169 1.00 0.00 H new ATOM 0 HA ASN A 36 5.963 -2.387 -1.556 1.00 0.00 H new ATOM 0 HB2 ASN A 36 3.785 -3.565 -3.154 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.246 -1.979 -3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 36 6.890 -5.182 -3.832 1.00 0.00 H new ATOM 0 HD22 ASN A 36 5.463 -5.164 -2.791 1.00 0.00 H new ATOM 485 N PHE A 37 2.991 -0.960 -1.296 1.00 0.00 N ATOM 486 CA PHE A 37 2.296 0.300 -1.095 1.00 0.00 C ATOM 487 C PHE A 37 2.832 1.031 0.139 1.00 0.00 C ATOM 488 O PHE A 37 3.320 2.155 0.034 1.00 0.00 O ATOM 489 CB PHE A 37 0.819 -0.034 -0.872 1.00 0.00 C ATOM 490 CG PHE A 37 0.049 1.037 -0.097 1.00 0.00 C ATOM 491 CD1 PHE A 37 -0.014 0.982 1.260 1.00 0.00 C ATOM 492 CD2 PHE A 37 -0.574 2.044 -0.766 1.00 0.00 C ATOM 493 CE1 PHE A 37 -0.729 1.976 1.978 1.00 0.00 C ATOM 494 CE2 PHE A 37 -1.290 3.038 -0.047 1.00 0.00 C ATOM 495 CZ PHE A 37 -1.351 2.983 1.310 1.00 0.00 C ATOM 0 H PHE A 37 2.398 -1.788 -1.243 1.00 0.00 H new ATOM 0 HA PHE A 37 2.441 0.947 -1.960 1.00 0.00 H new ATOM 0 HB2 PHE A 37 0.340 -0.182 -1.840 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.748 -0.979 -0.334 1.00 0.00 H new ATOM 0 HD1 PHE A 37 0.480 0.182 1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.524 2.088 -1.844 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -0.779 1.932 3.056 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -1.786 3.837 -0.578 1.00 0.00 H new ATOM 0 HZ PHE A 37 -1.894 3.740 1.857 1.00 0.00 H new ATOM 504 N CYS A 38 2.724 0.362 1.276 1.00 0.00 N ATOM 505 CA CYS A 38 3.192 0.934 2.528 1.00 0.00 C ATOM 506 C CYS A 38 4.668 1.303 2.366 1.00 0.00 C ATOM 507 O CYS A 38 5.116 2.328 2.877 1.00 0.00 O ATOM 508 CB CYS A 38 2.968 -0.019 3.704 1.00 0.00 C ATOM 509 SG CYS A 38 3.624 0.573 5.307 1.00 0.00 S ATOM 0 H CYS A 38 2.319 -0.571 1.358 1.00 0.00 H new ATOM 0 HA CYS A 38 2.617 1.831 2.758 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.898 -0.199 3.809 1.00 0.00 H new ATOM 0 HB3 CYS A 38 3.431 -0.978 3.470 1.00 0.00 H new ATOM 513 N ASN A 39 5.383 0.446 1.651 1.00 0.00 N ATOM 514 CA ASN A 39 6.799 0.668 1.414 1.00 0.00 C ATOM 515 C ASN A 39 6.995 2.043 0.772 1.00 0.00 C ATOM 516 O ASN A 39 7.959 2.744 1.076 1.00 0.00 O ATOM 517 CB ASN A 39 7.371 -0.385 0.463 1.00 0.00 C ATOM 518 CG ASN A 39 8.890 -0.250 0.345 1.00 0.00 C ATOM 519 OD1 ASN A 39 9.414 0.661 -0.275 1.00 0.00 O ATOM 520 ND2 ASN A 39 9.568 -1.206 0.975 1.00 0.00 N ATOM 0 H ASN A 39 5.008 -0.403 1.228 1.00 0.00 H new ATOM 0 HA ASN A 39 7.315 0.605 2.372 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.118 -1.382 0.824 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.915 -0.277 -0.521 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.588 -1.204 0.957 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.068 -1.940 1.476 1.00 0.00 H new ATOM 526 N ALA A 40 6.065 2.388 -0.107 1.00 0.00 N ATOM 527 CA ALA A 40 6.123 3.666 -0.795 1.00 0.00 C ATOM 528 C ALA A 40 5.553 4.756 0.114 1.00 0.00 C ATOM 529 O ALA A 40 5.975 5.910 0.047 1.00 0.00 O ATOM 530 CB ALA A 40 5.372 3.564 -2.125 1.00 0.00 C ATOM 0 H ALA A 40 5.267 1.804 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 40 7.155 3.933 -1.023 1.00 0.00 H new ATOM 0 HB1 ALA A 40 5.415 4.523 -2.642 1.00 0.00 H new ATOM 0 HB2 ALA A 40 5.834 2.796 -2.746 1.00 0.00 H new ATOM 0 HB3 ALA A 40 4.331 3.300 -1.936 1.00 0.00 H new ATOM 536 N VAL A 41 4.601 4.353 0.943 1.00 0.00 N ATOM 537 CA VAL A 41 3.969 5.282 1.865 1.00 0.00 C ATOM 538 C VAL A 41 4.970 5.675 2.953 1.00 0.00 C ATOM 539 O VAL A 41 5.295 6.852 3.106 1.00 0.00 O ATOM 540 CB VAL A 41 2.686 4.668 2.428 1.00 0.00 C ATOM 541 CG1 VAL A 41 2.036 5.600 3.453 1.00 0.00 C ATOM 542 CG2 VAL A 41 1.706 4.320 1.305 1.00 0.00 C ATOM 0 H VAL A 41 4.252 3.396 0.996 1.00 0.00 H new ATOM 0 HA VAL A 41 3.677 6.195 1.346 1.00 0.00 H new ATOM 0 HB VAL A 41 2.953 3.743 2.938 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.126 5.140 3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.729 5.776 4.276 1.00 0.00 H new ATOM 0 HG13 VAL A 41 1.789 6.549 2.977 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.802 3.885 1.732 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.448 5.224 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.169 3.602 0.628 1.00 0.00 H new ATOM 552 N VAL A 42 5.432 4.668 3.679 1.00 0.00 N ATOM 553 CA VAL A 42 6.390 4.894 4.749 1.00 0.00 C ATOM 554 C VAL A 42 7.604 5.640 4.190 1.00 0.00 C ATOM 555 O VAL A 42 8.190 6.479 4.873 1.00 0.00 O ATOM 556 CB VAL A 42 6.757 3.565 5.412 1.00 0.00 C ATOM 557 CG1 VAL A 42 8.179 3.142 5.039 1.00 0.00 C ATOM 558 CG2 VAL A 42 6.589 3.646 6.930 1.00 0.00 C ATOM 0 H VAL A 42 5.161 3.693 3.548 1.00 0.00 H new ATOM 0 HA VAL A 42 5.954 5.520 5.528 1.00 0.00 H new ATOM 0 HB VAL A 42 6.072 2.803 5.040 1.00 0.00 H new ATOM 0 HG11 VAL A 42 8.416 2.194 5.523 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.252 3.025 3.958 1.00 0.00 H new ATOM 0 HG13 VAL A 42 8.884 3.904 5.370 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.856 2.689 7.377 1.00 0.00 H new ATOM 0 HG22 VAL A 42 7.239 4.426 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.552 3.881 7.169 1.00 0.00 H new ATOM 568 N GLU A 43 7.946 5.307 2.954 1.00 0.00 N ATOM 569 CA GLU A 43 9.080 5.934 2.297 1.00 0.00 C ATOM 570 C GLU A 43 8.746 7.381 1.931 1.00 0.00 C ATOM 571 O GLU A 43 9.642 8.214 1.796 1.00 0.00 O ATOM 572 CB GLU A 43 9.505 5.140 1.061 1.00 0.00 C ATOM 573 CG GLU A 43 10.429 3.982 1.443 1.00 0.00 C ATOM 574 CD GLU A 43 11.884 4.302 1.090 1.00 0.00 C ATOM 575 OE1 GLU A 43 12.731 4.409 1.989 1.00 0.00 O ATOM 576 OE2 GLU A 43 12.120 4.441 -0.171 1.00 0.00 O ATOM 0 H GLU A 43 7.458 4.611 2.390 1.00 0.00 H new ATOM 0 HA GLU A 43 9.921 5.939 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.622 4.753 0.552 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.014 5.800 0.358 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.346 3.783 2.511 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.116 3.076 0.924 1.00 0.00 H new ATOM 582 N SER A 44 7.455 7.639 1.780 1.00 0.00 N ATOM 583 CA SER A 44 6.993 8.972 1.432 1.00 0.00 C ATOM 584 C SER A 44 6.498 9.697 2.684 1.00 0.00 C ATOM 585 O SER A 44 5.473 10.376 2.649 1.00 0.00 O ATOM 586 CB SER A 44 5.884 8.912 0.380 1.00 0.00 C ATOM 587 OG SER A 44 6.396 9.034 -0.944 1.00 0.00 O ATOM 0 H SER A 44 6.714 6.947 1.892 1.00 0.00 H new ATOM 0 HA SER A 44 7.831 9.525 1.007 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.345 7.969 0.475 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.165 9.710 0.565 1.00 0.00 H new ATOM 0 HG SER A 44 5.657 8.989 -1.586 1.00 0.00 H new ATOM 592 N ASN A 45 7.250 9.530 3.763 1.00 0.00 N ATOM 593 CA ASN A 45 6.901 10.160 5.025 1.00 0.00 C ATOM 594 C ASN A 45 5.503 9.705 5.448 1.00 0.00 C ATOM 595 O ASN A 45 4.872 10.333 6.297 1.00 0.00 O ATOM 596 CB ASN A 45 6.881 11.685 4.891 1.00 0.00 C ATOM 597 CG ASN A 45 7.741 12.340 5.973 1.00 0.00 C ATOM 598 OD1 ASN A 45 7.375 12.410 7.135 1.00 0.00 O ATOM 599 ND2 ASN A 45 8.902 12.814 5.529 1.00 0.00 N ATOM 0 H ASN A 45 8.100 8.967 3.789 1.00 0.00 H new ATOM 0 HA ASN A 45 7.648 9.872 5.764 1.00 0.00 H new ATOM 0 HB2 ASN A 45 7.248 11.972 3.906 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.856 12.047 4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 45 9.547 13.269 6.175 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.147 12.722 4.543 1.00 0.00 H new ATOM 605 N GLY A 46 5.059 8.616 4.836 1.00 0.00 N ATOM 606 CA GLY A 46 3.747 8.070 5.139 1.00 0.00 C ATOM 607 C GLY A 46 2.639 9.031 4.704 1.00 0.00 C ATOM 608 O GLY A 46 1.573 9.071 5.314 1.00 0.00 O ATOM 0 H GLY A 46 5.585 8.098 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.622 7.113 4.633 1.00 0.00 H new ATOM 0 HA3 GLY A 46 3.667 7.878 6.209 1.00 0.00 H new ATOM 612 N THR A 47 2.931 9.783 3.653 1.00 0.00 N ATOM 613 CA THR A 47 1.972 10.741 3.130 1.00 0.00 C ATOM 614 C THR A 47 1.059 10.075 2.099 1.00 0.00 C ATOM 615 O THR A 47 -0.122 10.403 2.006 1.00 0.00 O ATOM 616 CB THR A 47 2.752 11.933 2.570 1.00 0.00 C ATOM 617 OG1 THR A 47 1.761 12.939 2.381 1.00 0.00 O ATOM 618 CG2 THR A 47 3.291 11.671 1.162 1.00 0.00 C ATOM 0 H THR A 47 3.818 9.748 3.150 1.00 0.00 H new ATOM 0 HA THR A 47 1.310 11.106 3.915 1.00 0.00 H new ATOM 0 HB THR A 47 3.581 12.170 3.237 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.181 13.748 2.021 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.836 12.548 0.812 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.961 10.812 1.183 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.460 11.467 0.487 1.00 0.00 H new ATOM 626 N LEU A 48 1.641 9.150 1.349 1.00 0.00 N ATOM 627 CA LEU A 48 0.896 8.435 0.329 1.00 0.00 C ATOM 628 C LEU A 48 -0.238 7.647 0.990 1.00 0.00 C ATOM 629 O LEU A 48 -0.008 6.902 1.942 1.00 0.00 O ATOM 630 CB LEU A 48 1.835 7.570 -0.514 1.00 0.00 C ATOM 631 CG LEU A 48 1.381 7.288 -1.948 1.00 0.00 C ATOM 632 CD1 LEU A 48 2.551 7.406 -2.927 1.00 0.00 C ATOM 633 CD2 LEU A 48 0.685 5.929 -2.046 1.00 0.00 C ATOM 0 H LEU A 48 2.621 8.880 1.429 1.00 0.00 H new ATOM 0 HA LEU A 48 0.435 9.136 -0.367 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.809 8.057 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.974 6.617 -0.004 1.00 0.00 H new ATOM 0 HG LEU A 48 0.649 8.045 -2.230 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.201 7.201 -3.939 1.00 0.00 H new ATOM 0 HD12 LEU A 48 2.962 8.415 -2.883 1.00 0.00 H new ATOM 0 HD13 LEU A 48 3.325 6.687 -2.658 1.00 0.00 H new ATOM 0 HD21 LEU A 48 0.373 5.754 -3.075 1.00 0.00 H new ATOM 0 HD22 LEU A 48 1.375 5.144 -1.737 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.189 5.920 -1.395 1.00 0.00 H new ATOM 644 N THR A 49 -1.436 7.838 0.460 1.00 0.00 N ATOM 645 CA THR A 49 -2.606 7.155 0.986 1.00 0.00 C ATOM 646 C THR A 49 -3.145 6.155 -0.038 1.00 0.00 C ATOM 647 O THR A 49 -2.945 6.323 -1.240 1.00 0.00 O ATOM 648 CB THR A 49 -3.628 8.216 1.397 1.00 0.00 C ATOM 649 OG1 THR A 49 -4.201 8.642 0.164 1.00 0.00 O ATOM 650 CG2 THR A 49 -2.969 9.478 1.958 1.00 0.00 C ATOM 0 H THR A 49 -1.623 8.457 -0.329 1.00 0.00 H new ATOM 0 HA THR A 49 -2.357 6.565 1.868 1.00 0.00 H new ATOM 0 HB THR A 49 -4.305 7.798 2.142 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.877 9.330 0.338 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.739 10.198 2.234 1.00 0.00 H new ATOM 0 HG22 THR A 49 -2.380 9.220 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.318 9.915 1.201 1.00 0.00 H new ATOM 658 N LEU A 50 -3.820 5.136 0.475 1.00 0.00 N ATOM 659 CA LEU A 50 -4.390 4.109 -0.380 1.00 0.00 C ATOM 660 C LEU A 50 -5.705 4.619 -0.975 1.00 0.00 C ATOM 661 O LEU A 50 -6.635 4.947 -0.241 1.00 0.00 O ATOM 662 CB LEU A 50 -4.531 2.792 0.385 1.00 0.00 C ATOM 663 CG LEU A 50 -4.686 1.533 -0.470 1.00 0.00 C ATOM 664 CD1 LEU A 50 -5.697 1.756 -1.595 1.00 0.00 C ATOM 665 CD2 LEU A 50 -3.331 1.061 -1.003 1.00 0.00 C ATOM 0 H LEU A 50 -3.985 5.000 1.472 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.723 3.895 -1.215 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.655 2.669 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.396 2.868 1.044 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.078 0.737 0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.788 0.846 -2.188 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.667 2.010 -1.167 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.357 2.572 -2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.470 0.165 -1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.887 1.846 -1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.669 0.836 -0.167 1.00 0.00 H new ATOM 676 N SER A 51 -5.740 4.669 -2.298 1.00 0.00 N ATOM 677 CA SER A 51 -6.925 5.133 -2.999 1.00 0.00 C ATOM 678 C SER A 51 -8.027 4.074 -2.919 1.00 0.00 C ATOM 679 O SER A 51 -9.158 4.379 -2.544 1.00 0.00 O ATOM 680 CB SER A 51 -6.608 5.460 -4.459 1.00 0.00 C ATOM 681 OG SER A 51 -7.297 6.624 -4.907 1.00 0.00 O ATOM 0 H SER A 51 -4.966 4.396 -2.904 1.00 0.00 H new ATOM 0 HA SER A 51 -7.272 6.047 -2.518 1.00 0.00 H new ATOM 0 HB2 SER A 51 -5.534 5.608 -4.572 1.00 0.00 H new ATOM 0 HB3 SER A 51 -6.881 4.613 -5.088 1.00 0.00 H new ATOM 0 HG SER A 51 -7.067 6.800 -5.843 1.00 0.00 H new ATOM 686 N HIS A 52 -7.659 2.854 -3.278 1.00 0.00 N ATOM 687 CA HIS A 52 -8.603 1.749 -3.252 1.00 0.00 C ATOM 688 C HIS A 52 -7.875 0.444 -3.580 1.00 0.00 C ATOM 689 O HIS A 52 -6.731 0.464 -4.032 1.00 0.00 O ATOM 690 CB HIS A 52 -9.782 2.021 -4.188 1.00 0.00 C ATOM 691 CG HIS A 52 -9.384 2.271 -5.622 1.00 0.00 C ATOM 692 ND1 HIS A 52 -9.441 1.291 -6.598 1.00 0.00 N ATOM 693 CD2 HIS A 52 -8.924 3.398 -6.235 1.00 0.00 C ATOM 694 CE1 HIS A 52 -9.030 1.816 -7.743 1.00 0.00 C ATOM 695 NE2 HIS A 52 -8.709 3.122 -7.516 1.00 0.00 N ATOM 0 H HIS A 52 -6.720 2.605 -3.589 1.00 0.00 H new ATOM 0 HA HIS A 52 -9.023 1.648 -2.251 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -10.463 1.171 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.333 2.886 -3.819 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -9.747 0.328 -6.459 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -8.762 4.354 -5.759 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -8.961 1.300 -8.690 1.00 0.00 H new ATOM 703 N PHE A 53 -8.567 -0.659 -3.339 1.00 0.00 N ATOM 704 CA PHE A 53 -8.001 -1.971 -3.602 1.00 0.00 C ATOM 705 C PHE A 53 -8.215 -2.378 -5.061 1.00 0.00 C ATOM 706 O PHE A 53 -9.068 -1.816 -5.747 1.00 0.00 O ATOM 707 CB PHE A 53 -8.731 -2.964 -2.695 1.00 0.00 C ATOM 708 CG PHE A 53 -8.113 -3.108 -1.303 1.00 0.00 C ATOM 709 CD1 PHE A 53 -7.046 -3.931 -1.115 1.00 0.00 C ATOM 710 CD2 PHE A 53 -8.628 -2.413 -0.255 1.00 0.00 C ATOM 711 CE1 PHE A 53 -6.471 -4.064 0.176 1.00 0.00 C ATOM 712 CE2 PHE A 53 -8.054 -2.546 1.037 1.00 0.00 C ATOM 713 CZ PHE A 53 -6.987 -3.369 1.225 1.00 0.00 C ATOM 0 H PHE A 53 -9.516 -0.671 -2.964 1.00 0.00 H new ATOM 0 HA PHE A 53 -6.928 -1.958 -3.410 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -9.769 -2.648 -2.589 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -8.743 -3.941 -3.179 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -6.637 -4.483 -1.948 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -9.474 -1.759 -0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -5.624 -4.717 0.325 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -8.464 -1.994 1.870 1.00 0.00 H new ATOM 0 HZ PHE A 53 -6.550 -3.470 2.207 1.00 0.00 H new ATOM 722 N GLY A 54 -7.427 -3.351 -5.493 1.00 0.00 N ATOM 723 CA GLY A 54 -7.520 -3.840 -6.858 1.00 0.00 C ATOM 724 C GLY A 54 -6.703 -2.964 -7.810 1.00 0.00 C ATOM 725 O GLY A 54 -6.686 -1.742 -7.675 1.00 0.00 O ATOM 0 H GLY A 54 -6.721 -3.814 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -7.161 -4.868 -6.905 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -8.563 -3.852 -7.174 1.00 0.00 H new ATOM 729 N LYS A 55 -6.045 -3.624 -8.752 1.00 0.00 N ATOM 730 CA LYS A 55 -5.227 -2.921 -9.726 1.00 0.00 C ATOM 731 C LYS A 55 -6.026 -1.753 -10.308 1.00 0.00 C ATOM 732 O LYS A 55 -7.178 -1.921 -10.706 1.00 0.00 O ATOM 733 CB LYS A 55 -4.700 -3.893 -10.784 1.00 0.00 C ATOM 734 CG LYS A 55 -3.823 -3.166 -11.807 1.00 0.00 C ATOM 735 CD LYS A 55 -4.670 -2.584 -12.940 1.00 0.00 C ATOM 736 CE LYS A 55 -3.789 -2.128 -14.104 1.00 0.00 C ATOM 737 NZ LYS A 55 -4.604 -1.928 -15.324 1.00 0.00 N ATOM 0 H LYS A 55 -6.062 -4.638 -8.861 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.344 -2.497 -9.247 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.124 -4.684 -10.302 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -5.537 -4.372 -11.292 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -3.270 -2.367 -11.314 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.087 -3.857 -12.217 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -5.381 -3.333 -13.289 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.252 -1.741 -12.568 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -3.282 -1.199 -13.842 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.015 -2.871 -14.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.990 -1.619 -16.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -5.068 -2.822 -15.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.327 -1.202 -15.143 1.00 0.00 H new ATOM 747 N CYS A 56 -5.384 -0.595 -10.337 1.00 0.00 N ATOM 748 CA CYS A 56 -6.020 0.601 -10.864 1.00 0.00 C ATOM 749 C CYS A 56 -6.775 0.222 -12.139 1.00 0.00 C ATOM 750 O CYS A 56 -6.189 0.166 -13.219 1.00 0.00 O ATOM 751 CB CYS A 56 -5.006 1.719 -11.112 1.00 0.00 C ATOM 752 SG CYS A 56 -5.259 3.224 -10.102 1.00 0.00 S ATOM 0 H CYS A 56 -4.430 -0.459 -10.004 1.00 0.00 H new ATOM 0 HA CYS A 56 -6.723 0.995 -10.130 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.006 1.332 -10.918 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.042 1.996 -12.166 1.00 0.00 H new TER 756 CYS A 56