USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 461 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 Single : A 1 ALA N :NH3+ 167:sc=-0.000494 (180deg=-0.185) USER MOD Single : A 3 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 5 SER OG : rot 30:sc= 0.0631 USER MOD Single : A 6 GLN : amide:sc= -1.05 K(o=-1.1,f=-4.8!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot 56:sc= 1.23 USER MOD Single : A 27 ASN : amide:sc= -1.18 K(o=-1.2,f=-2.8!) USER MOD Single : A 31 GLN : amide:sc= -8.08! C(o=-8.1!,f=-13!) USER MOD Single : A 32 GLN :FLIP amide:sc= -1.11 F(o=-4!,f=-1.1) USER MOD Single : A 37 GLN : amide:sc= -2.87! C(o=-2.9!,f=-2.6!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 THR OG1 : rot -2:sc= 0.551 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 TYR OH : rot 106:sc= -4.73! USER MOD Single : A 50 SER OG : rot -150:sc= -2.13 USER MOD Single : A 52 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-6!) USER MOD Single : A 56 THR OG1 : rot 82:sc= 0.654 USER MOD Single : A 58 THR OG1 : rot 80:sc= 1.13 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 68 PGM O1 : rot 180:sc= 0 USER MOD Single : A 68 PGM O2 : rot -146:sc= 0.21 USER MOD Single : A 68 PGM O8 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.037 3.118 -0.291 1.00 0.00 N ATOM 2 CA ALA A 1 14.228 4.584 -0.144 1.00 0.00 C ATOM 3 C ALA A 1 13.019 5.349 -0.672 1.00 0.00 C ATOM 4 O ALA A 1 13.154 6.443 -1.219 1.00 0.00 O ATOM 5 CB ALA A 1 15.489 5.026 -0.870 1.00 0.00 C ATOM 0 H1 ALA A 1 14.943 2.632 -0.135 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.342 2.787 0.408 1.00 0.00 H new ATOM 0 H3 ALA A 1 13.692 2.907 -1.249 1.00 0.00 H new ATOM 0 HA ALA A 1 14.334 4.808 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.617 6.102 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 1 16.352 4.510 -0.448 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.403 4.783 -1.929 1.00 0.00 H new ATOM 13 N CYS A 2 11.837 4.764 -0.505 1.00 0.00 N ATOM 14 CA CYS A 2 10.602 5.391 -0.965 1.00 0.00 C ATOM 15 C CYS A 2 10.641 5.621 -2.473 1.00 0.00 C ATOM 16 O CYS A 2 11.149 6.638 -2.942 1.00 0.00 O ATOM 17 CB CYS A 2 10.374 6.721 -0.241 1.00 0.00 C ATOM 18 SG CYS A 2 10.844 6.710 1.521 1.00 0.00 S ATOM 0 H CYS A 2 11.708 3.858 -0.055 1.00 0.00 H new ATOM 0 HA CYS A 2 9.776 4.717 -0.736 1.00 0.00 H new ATOM 0 HB2 CYS A 2 10.941 7.500 -0.751 1.00 0.00 H new ATOM 0 HB3 CYS A 2 9.320 6.989 -0.322 1.00 0.00 H new ATOM 23 N GLN A 3 10.102 4.667 -3.226 1.00 0.00 N ATOM 24 CA GLN A 3 10.078 4.766 -4.681 1.00 0.00 C ATOM 25 C GLN A 3 8.946 5.675 -5.149 1.00 0.00 C ATOM 26 O GLN A 3 9.124 6.486 -6.058 1.00 0.00 O ATOM 27 CB GLN A 3 9.922 3.377 -5.305 1.00 0.00 C ATOM 28 CG GLN A 3 11.241 2.742 -5.714 1.00 0.00 C ATOM 29 CD GLN A 3 11.657 3.119 -7.122 1.00 0.00 C ATOM 30 OE1 GLN A 3 11.140 2.579 -8.100 1.00 0.00 O ATOM 31 NE2 GLN A 3 12.596 4.052 -7.233 1.00 0.00 N ATOM 0 H GLN A 3 9.677 3.818 -2.853 1.00 0.00 H new ATOM 0 HA GLN A 3 11.024 5.200 -5.005 1.00 0.00 H new ATOM 0 HB2 GLN A 3 9.419 2.723 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 3 9.277 3.452 -6.181 1.00 0.00 H new ATOM 0 HG2 GLN A 3 12.019 3.048 -5.015 1.00 0.00 H new ATOM 0 HG3 GLN A 3 11.156 1.658 -5.642 1.00 0.00 H new ATOM 0 HE21 GLN A 3 12.998 4.474 -6.395 1.00 0.00 H new ATOM 0 HE22 GLN A 3 12.915 4.347 -8.156 1.00 0.00 H new ATOM 40 N ALA A 4 7.780 5.533 -4.526 1.00 0.00 N ATOM 41 CA ALA A 4 6.620 6.340 -4.884 1.00 0.00 C ATOM 42 C ALA A 4 6.232 6.117 -6.342 1.00 0.00 C ATOM 43 O ALA A 4 5.744 7.027 -7.012 1.00 0.00 O ATOM 44 CB ALA A 4 6.904 7.813 -4.631 1.00 0.00 C ATOM 0 H ALA A 4 7.614 4.867 -3.771 1.00 0.00 H new ATOM 0 HA ALA A 4 5.783 6.031 -4.258 1.00 0.00 H new ATOM 0 HB1 ALA A 4 6.029 8.404 -4.903 1.00 0.00 H new ATOM 0 HB2 ALA A 4 7.130 7.964 -3.575 1.00 0.00 H new ATOM 0 HB3 ALA A 4 7.756 8.128 -5.233 1.00 0.00 H new ATOM 50 N SER A 5 6.455 4.900 -6.825 1.00 0.00 N ATOM 51 CA SER A 5 6.132 4.554 -8.206 1.00 0.00 C ATOM 52 C SER A 5 5.748 3.081 -8.334 1.00 0.00 C ATOM 53 O SER A 5 4.876 2.725 -9.126 1.00 0.00 O ATOM 54 CB SER A 5 7.318 4.862 -9.121 1.00 0.00 C ATOM 55 OG SER A 5 7.225 6.172 -9.654 1.00 0.00 O ATOM 0 H SER A 5 6.858 4.136 -6.282 1.00 0.00 H new ATOM 0 HA SER A 5 5.276 5.158 -8.509 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.248 4.759 -8.563 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.352 4.137 -9.934 1.00 0.00 H new ATOM 0 HG SER A 5 6.751 6.750 -9.020 1.00 0.00 H new ATOM 61 N GLN A 6 6.404 2.227 -7.552 1.00 0.00 N ATOM 62 CA GLN A 6 6.133 0.801 -7.580 1.00 0.00 C ATOM 63 C GLN A 6 4.728 0.497 -7.068 1.00 0.00 C ATOM 64 O GLN A 6 4.214 -0.606 -7.252 1.00 0.00 O ATOM 65 CB GLN A 6 7.168 0.052 -6.738 1.00 0.00 C ATOM 66 CG GLN A 6 8.437 -0.293 -7.500 1.00 0.00 C ATOM 67 CD GLN A 6 9.242 -1.386 -6.825 1.00 0.00 C ATOM 68 OE1 GLN A 6 9.569 -1.292 -5.642 1.00 0.00 O ATOM 69 NE2 GLN A 6 9.567 -2.431 -7.576 1.00 0.00 N ATOM 0 H GLN A 6 7.129 2.504 -6.890 1.00 0.00 H new ATOM 0 HA GLN A 6 6.199 0.465 -8.615 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.428 0.660 -5.872 1.00 0.00 H new ATOM 0 HB3 GLN A 6 6.720 -0.867 -6.360 1.00 0.00 H new ATOM 0 HG2 GLN A 6 8.176 -0.610 -8.510 1.00 0.00 H new ATOM 0 HG3 GLN A 6 9.053 0.601 -7.596 1.00 0.00 H new ATOM 0 HE21 GLN A 6 9.275 -2.468 -8.553 1.00 0.00 H new ATOM 0 HE22 GLN A 6 10.109 -3.197 -7.177 1.00 0.00 H new ATOM 78 N LEU A 7 4.118 1.480 -6.414 1.00 0.00 N ATOM 79 CA LEU A 7 2.780 1.320 -5.862 1.00 0.00 C ATOM 80 C LEU A 7 1.754 2.126 -6.655 1.00 0.00 C ATOM 81 O LEU A 7 0.556 1.851 -6.595 1.00 0.00 O ATOM 82 CB LEU A 7 2.764 1.753 -4.393 1.00 0.00 C ATOM 83 CG LEU A 7 4.110 1.645 -3.667 1.00 0.00 C ATOM 84 CD1 LEU A 7 4.127 2.544 -2.440 1.00 0.00 C ATOM 85 CD2 LEU A 7 4.393 0.199 -3.279 1.00 0.00 C ATOM 0 H LEU A 7 4.532 2.398 -6.254 1.00 0.00 H new ATOM 0 HA LEU A 7 2.509 0.266 -5.931 1.00 0.00 H new ATOM 0 HB2 LEU A 7 2.422 2.787 -4.339 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.032 1.147 -3.860 1.00 0.00 H new ATOM 0 HG LEU A 7 4.896 1.977 -4.345 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.090 2.455 -1.937 1.00 0.00 H new ATOM 0 HD12 LEU A 7 3.971 3.579 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.332 2.243 -1.758 1.00 0.00 H new ATOM 0 HD21 LEU A 7 5.352 0.141 -2.765 1.00 0.00 H new ATOM 0 HD22 LEU A 7 3.605 -0.161 -2.618 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.425 -0.419 -4.176 1.00 0.00 H new ATOM 97 N ALA A 8 2.229 3.126 -7.398 1.00 0.00 N ATOM 98 CA ALA A 8 1.350 3.971 -8.198 1.00 0.00 C ATOM 99 C ALA A 8 0.371 3.140 -9.017 1.00 0.00 C ATOM 100 O ALA A 8 -0.817 3.451 -9.095 1.00 0.00 O ATOM 101 CB ALA A 8 2.170 4.873 -9.108 1.00 0.00 C ATOM 0 H ALA A 8 3.218 3.369 -7.461 1.00 0.00 H new ATOM 0 HA ALA A 8 0.769 4.590 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 8 1.501 5.498 -9.699 1.00 0.00 H new ATOM 0 HB2 ALA A 8 2.819 5.507 -8.503 1.00 0.00 H new ATOM 0 HB3 ALA A 8 2.778 4.261 -9.774 1.00 0.00 H new ATOM 107 N VAL A 9 0.885 2.083 -9.620 1.00 0.00 N ATOM 108 CA VAL A 9 0.075 1.191 -10.436 1.00 0.00 C ATOM 109 C VAL A 9 -1.103 0.633 -9.641 1.00 0.00 C ATOM 110 O VAL A 9 -2.129 0.257 -10.208 1.00 0.00 O ATOM 111 CB VAL A 9 0.913 0.022 -10.992 1.00 0.00 C ATOM 112 CG1 VAL A 9 1.475 -0.822 -9.858 1.00 0.00 C ATOM 113 CG2 VAL A 9 0.085 -0.829 -11.946 1.00 0.00 C ATOM 0 H VAL A 9 1.868 1.818 -9.560 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.305 1.781 -11.270 1.00 0.00 H new ATOM 0 HB VAL A 9 1.751 0.437 -11.552 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.063 -1.641 -10.271 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.110 -0.203 -9.224 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.655 -1.227 -9.265 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.696 -1.648 -12.326 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.777 -1.235 -11.417 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -0.257 -0.214 -12.779 1.00 0.00 H new ATOM 123 N CYS A 10 -0.942 0.584 -8.325 1.00 0.00 N ATOM 124 CA CYS A 10 -1.982 0.075 -7.438 1.00 0.00 C ATOM 125 C CYS A 10 -2.928 1.192 -7.026 1.00 0.00 C ATOM 126 O CYS A 10 -4.112 0.963 -6.780 1.00 0.00 O ATOM 127 CB CYS A 10 -1.350 -0.535 -6.193 1.00 0.00 C ATOM 128 SG CYS A 10 -2.372 -1.812 -5.390 1.00 0.00 S ATOM 0 H CYS A 10 -0.096 0.892 -7.845 1.00 0.00 H new ATOM 0 HA CYS A 10 -2.547 -0.688 -7.974 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -0.388 -0.971 -6.463 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -1.149 0.259 -5.474 1.00 0.00 H new ATOM 133 N ALA A 11 -2.385 2.401 -6.950 1.00 0.00 N ATOM 134 CA ALA A 11 -3.158 3.580 -6.564 1.00 0.00 C ATOM 135 C ALA A 11 -4.518 3.599 -7.246 1.00 0.00 C ATOM 136 O ALA A 11 -5.496 4.110 -6.700 1.00 0.00 O ATOM 137 CB ALA A 11 -2.384 4.848 -6.892 1.00 0.00 C ATOM 0 H ALA A 11 -1.404 2.594 -7.152 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.325 3.534 -5.488 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -2.971 5.719 -6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -1.439 4.848 -6.349 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -2.187 4.887 -7.963 1.00 0.00 H new ATOM 143 N SER A 12 -4.567 3.031 -8.440 1.00 0.00 N ATOM 144 CA SER A 12 -5.801 2.967 -9.208 1.00 0.00 C ATOM 145 C SER A 12 -6.911 2.308 -8.395 1.00 0.00 C ATOM 146 O SER A 12 -8.079 2.681 -8.500 1.00 0.00 O ATOM 147 CB SER A 12 -5.578 2.196 -10.510 1.00 0.00 C ATOM 148 OG SER A 12 -4.516 2.758 -11.261 1.00 0.00 O ATOM 0 H SER A 12 -3.763 2.606 -8.901 1.00 0.00 H new ATOM 0 HA SER A 12 -6.105 3.986 -9.447 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.356 1.153 -10.285 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.492 2.206 -11.103 1.00 0.00 H new ATOM 0 HG SER A 12 -4.393 2.246 -12.087 1.00 0.00 H new ATOM 154 N ALA A 13 -6.534 1.324 -7.585 1.00 0.00 N ATOM 155 CA ALA A 13 -7.486 0.608 -6.752 1.00 0.00 C ATOM 156 C ALA A 13 -7.745 1.349 -5.444 1.00 0.00 C ATOM 157 O ALA A 13 -8.887 1.464 -5.000 1.00 0.00 O ATOM 158 CB ALA A 13 -6.986 -0.801 -6.472 1.00 0.00 C ATOM 0 H ALA A 13 -5.570 1.005 -7.490 1.00 0.00 H new ATOM 0 HA ALA A 13 -8.429 0.548 -7.295 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -7.709 -1.326 -5.847 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -6.863 -1.337 -7.413 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -6.028 -0.751 -5.955 1.00 0.00 H new ATOM 164 N ILE A 14 -6.676 1.851 -4.830 1.00 0.00 N ATOM 165 CA ILE A 14 -6.792 2.581 -3.573 1.00 0.00 C ATOM 166 C ILE A 14 -7.660 3.825 -3.744 1.00 0.00 C ATOM 167 O ILE A 14 -8.621 4.031 -3.004 1.00 0.00 O ATOM 168 CB ILE A 14 -5.404 2.998 -3.028 1.00 0.00 C ATOM 169 CG1 ILE A 14 -4.589 1.766 -2.621 1.00 0.00 C ATOM 170 CG2 ILE A 14 -5.552 3.945 -1.844 1.00 0.00 C ATOM 171 CD1 ILE A 14 -3.889 1.091 -3.781 1.00 0.00 C ATOM 0 H ILE A 14 -5.723 1.765 -5.182 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.262 1.908 -2.856 1.00 0.00 H new ATOM 0 HB ILE A 14 -4.872 3.519 -3.824 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -3.845 2.061 -1.881 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.251 1.046 -2.139 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.565 4.225 -1.477 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -6.090 4.839 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -6.108 3.449 -1.048 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -3.332 0.227 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -4.629 0.764 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.201 1.795 -4.250 1.00 0.00 H new ATOM 183 N LEU A 15 -7.309 4.655 -4.722 1.00 0.00 N ATOM 184 CA LEU A 15 -8.052 5.883 -4.985 1.00 0.00 C ATOM 185 C LEU A 15 -9.394 5.583 -5.650 1.00 0.00 C ATOM 186 O LEU A 15 -10.431 5.557 -4.989 1.00 0.00 O ATOM 187 CB LEU A 15 -7.227 6.823 -5.867 1.00 0.00 C ATOM 188 CG LEU A 15 -6.161 7.634 -5.128 1.00 0.00 C ATOM 189 CD1 LEU A 15 -5.338 8.453 -6.110 1.00 0.00 C ATOM 190 CD2 LEU A 15 -6.806 8.536 -4.087 1.00 0.00 C ATOM 0 H LEU A 15 -6.516 4.500 -5.344 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.247 6.370 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.740 6.234 -6.644 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.905 7.514 -6.369 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.493 6.941 -4.616 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.585 9.023 -5.566 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.847 7.786 -6.818 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.992 9.138 -6.650 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -6.034 9.106 -3.571 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -7.496 9.222 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -7.351 7.927 -3.366 1.00 0.00 H new ATOM 202 N SER A 16 -9.368 5.361 -6.961 1.00 0.00 N ATOM 203 CA SER A 16 -10.584 5.069 -7.710 1.00 0.00 C ATOM 204 C SER A 16 -11.256 3.803 -7.187 1.00 0.00 C ATOM 205 O SER A 16 -12.270 3.868 -6.492 1.00 0.00 O ATOM 206 CB SER A 16 -10.268 4.917 -9.199 1.00 0.00 C ATOM 207 OG SER A 16 -11.373 4.376 -9.903 1.00 0.00 O ATOM 0 H SER A 16 -8.519 5.378 -7.525 1.00 0.00 H new ATOM 0 HA SER A 16 -11.272 5.904 -7.576 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.005 5.888 -9.619 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.400 4.270 -9.325 1.00 0.00 H new ATOM 0 HG SER A 16 -11.146 4.291 -10.852 1.00 0.00 H new ATOM 213 N GLY A 17 -10.684 2.652 -7.526 1.00 0.00 N ATOM 214 CA GLY A 17 -11.242 1.388 -7.082 1.00 0.00 C ATOM 215 C GLY A 17 -11.609 0.476 -8.236 1.00 0.00 C ATOM 216 O GLY A 17 -12.616 -0.230 -8.182 1.00 0.00 O ATOM 0 H GLY A 17 -9.845 2.572 -8.100 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -10.521 0.883 -6.439 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -12.129 1.579 -6.478 1.00 0.00 H new ATOM 220 N ALA A 18 -10.789 0.491 -9.283 1.00 0.00 N ATOM 221 CA ALA A 18 -11.032 -0.342 -10.455 1.00 0.00 C ATOM 222 C ALA A 18 -11.091 -1.814 -10.078 1.00 0.00 C ATOM 223 O ALA A 18 -12.167 -2.407 -9.994 1.00 0.00 O ATOM 224 CB ALA A 18 -9.954 -0.104 -11.503 1.00 0.00 C ATOM 0 H ALA A 18 -9.952 1.070 -9.343 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.999 -0.064 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.147 -0.732 -12.373 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -9.963 0.944 -11.803 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -8.979 -0.353 -11.085 1.00 0.00 H new ATOM 230 N LYS A 19 -9.925 -2.392 -9.852 1.00 0.00 N ATOM 231 CA LYS A 19 -9.820 -3.795 -9.479 1.00 0.00 C ATOM 232 C LYS A 19 -8.423 -4.113 -8.948 1.00 0.00 C ATOM 233 O LYS A 19 -7.424 -3.652 -9.500 1.00 0.00 O ATOM 234 CB LYS A 19 -10.141 -4.693 -10.676 1.00 0.00 C ATOM 235 CG LYS A 19 -9.526 -4.212 -11.982 1.00 0.00 C ATOM 236 CD LYS A 19 -10.585 -3.690 -12.940 1.00 0.00 C ATOM 237 CE LYS A 19 -9.997 -2.707 -13.939 1.00 0.00 C ATOM 238 NZ LYS A 19 -9.726 -3.348 -15.256 1.00 0.00 N ATOM 0 H LYS A 19 -9.030 -1.908 -9.921 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.544 -3.989 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.786 -5.702 -10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.223 -4.753 -10.794 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.801 -3.424 -11.775 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.981 -5.031 -12.452 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.038 -4.526 -13.474 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -11.380 -3.204 -12.375 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.686 -1.873 -14.076 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.071 -2.293 -13.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -9.326 -2.644 -15.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -9.049 -4.128 -15.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -10.614 -3.720 -15.650 1.00 0.00 H new ATOM 252 N PRO A 20 -8.333 -4.908 -7.866 1.00 0.00 N ATOM 253 CA PRO A 20 -7.046 -5.281 -7.268 1.00 0.00 C ATOM 254 C PRO A 20 -6.090 -5.892 -8.286 1.00 0.00 C ATOM 255 O PRO A 20 -6.364 -5.898 -9.486 1.00 0.00 O ATOM 256 CB PRO A 20 -7.429 -6.316 -6.208 1.00 0.00 C ATOM 257 CG PRO A 20 -8.847 -6.010 -5.871 1.00 0.00 C ATOM 258 CD PRO A 20 -9.471 -5.503 -7.141 1.00 0.00 C ATOM 0 HA PRO A 20 -6.520 -4.415 -6.866 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -7.324 -7.331 -6.590 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -6.788 -6.238 -5.330 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -9.363 -6.899 -5.510 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -8.908 -5.263 -5.080 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -9.934 -6.309 -7.711 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -10.249 -4.767 -6.940 1.00 0.00 H new ATOM 266 N SER A 21 -4.967 -6.408 -7.798 1.00 0.00 N ATOM 267 CA SER A 21 -3.969 -7.024 -8.663 1.00 0.00 C ATOM 268 C SER A 21 -2.851 -7.654 -7.838 1.00 0.00 C ATOM 269 O SER A 21 -2.426 -7.100 -6.825 1.00 0.00 O ATOM 270 CB SER A 21 -3.387 -5.988 -9.626 1.00 0.00 C ATOM 271 OG SER A 21 -4.094 -5.979 -10.854 1.00 0.00 O ATOM 0 H SER A 21 -4.726 -6.412 -6.807 1.00 0.00 H new ATOM 0 HA SER A 21 -4.459 -7.809 -9.240 1.00 0.00 H new ATOM 0 HB2 SER A 21 -3.431 -4.999 -9.170 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.335 -6.208 -9.810 1.00 0.00 H new ATOM 0 HG SER A 21 -5.046 -5.822 -10.682 1.00 0.00 H new ATOM 277 N GLY A 22 -2.381 -8.816 -8.278 1.00 0.00 N ATOM 278 CA GLY A 22 -1.318 -9.502 -7.568 1.00 0.00 C ATOM 279 C GLY A 22 -0.012 -8.733 -7.591 1.00 0.00 C ATOM 280 O GLY A 22 0.666 -8.618 -6.571 1.00 0.00 O ATOM 0 H GLY A 22 -2.717 -9.295 -9.113 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -1.622 -9.664 -6.534 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.164 -10.485 -8.013 1.00 0.00 H new ATOM 284 N GLU A 23 0.343 -8.205 -8.759 1.00 0.00 N ATOM 285 CA GLU A 23 1.570 -7.447 -8.921 1.00 0.00 C ATOM 286 C GLU A 23 1.711 -6.392 -7.828 1.00 0.00 C ATOM 287 O GLU A 23 2.813 -6.117 -7.353 1.00 0.00 O ATOM 288 CB GLU A 23 1.576 -6.781 -10.293 1.00 0.00 C ATOM 289 CG GLU A 23 2.967 -6.509 -10.816 1.00 0.00 C ATOM 290 CD GLU A 23 3.076 -5.178 -11.533 1.00 0.00 C ATOM 291 OE1 GLU A 23 2.768 -5.128 -12.743 1.00 0.00 O ATOM 292 OE2 GLU A 23 3.471 -4.185 -10.886 1.00 0.00 O ATOM 0 H GLU A 23 -0.210 -8.292 -9.611 1.00 0.00 H new ATOM 0 HA GLU A 23 2.415 -8.131 -8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.047 -7.418 -11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.026 -5.842 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.672 -6.528 -9.985 1.00 0.00 H new ATOM 0 HG3 GLU A 23 3.256 -7.309 -11.498 1.00 0.00 H new ATOM 299 N CYS A 24 0.585 -5.805 -7.437 1.00 0.00 N ATOM 300 CA CYS A 24 0.572 -4.778 -6.403 1.00 0.00 C ATOM 301 C CYS A 24 1.257 -5.263 -5.134 1.00 0.00 C ATOM 302 O CYS A 24 2.275 -4.715 -4.711 1.00 0.00 O ATOM 303 CB CYS A 24 -0.867 -4.355 -6.092 1.00 0.00 C ATOM 304 SG CYS A 24 -1.016 -3.164 -4.718 1.00 0.00 S ATOM 0 H CYS A 24 -0.333 -6.024 -7.823 1.00 0.00 H new ATOM 0 HA CYS A 24 1.125 -3.918 -6.780 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.306 -3.916 -6.988 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -1.451 -5.243 -5.853 1.00 0.00 H new ATOM 309 N CYS A 25 0.683 -6.289 -4.534 1.00 0.00 N ATOM 310 CA CYS A 25 1.219 -6.863 -3.304 1.00 0.00 C ATOM 311 C CYS A 25 2.693 -7.232 -3.461 1.00 0.00 C ATOM 312 O CYS A 25 3.436 -7.287 -2.483 1.00 0.00 O ATOM 313 CB CYS A 25 0.401 -8.091 -2.890 1.00 0.00 C ATOM 314 SG CYS A 25 0.771 -9.607 -3.835 1.00 0.00 S ATOM 0 H CYS A 25 -0.161 -6.748 -4.878 1.00 0.00 H new ATOM 0 HA CYS A 25 1.145 -6.109 -2.520 1.00 0.00 H new ATOM 0 HB2 CYS A 25 0.575 -8.287 -1.832 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.658 -7.859 -3.001 1.00 0.00 H new ATOM 319 N GLY A 26 3.108 -7.484 -4.698 1.00 0.00 N ATOM 320 CA GLY A 26 4.491 -7.840 -4.958 1.00 0.00 C ATOM 321 C GLY A 26 5.405 -6.629 -5.003 1.00 0.00 C ATOM 322 O GLY A 26 6.545 -6.685 -4.542 1.00 0.00 O ATOM 0 H GLY A 26 2.512 -7.448 -5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 26 4.838 -8.524 -4.184 1.00 0.00 H new ATOM 0 HA3 GLY A 26 4.553 -8.373 -5.907 1.00 0.00 H new ATOM 326 N ASN A 27 4.905 -5.535 -5.572 1.00 0.00 N ATOM 327 CA ASN A 27 5.678 -4.307 -5.692 1.00 0.00 C ATOM 328 C ASN A 27 6.172 -3.822 -4.339 1.00 0.00 C ATOM 329 O ASN A 27 7.353 -3.521 -4.163 1.00 0.00 O ATOM 330 CB ASN A 27 4.837 -3.217 -6.358 1.00 0.00 C ATOM 331 CG ASN A 27 4.548 -3.518 -7.815 1.00 0.00 C ATOM 332 OD1 ASN A 27 3.424 -3.862 -8.180 1.00 0.00 O ATOM 333 ND2 ASN A 27 5.565 -3.387 -8.658 1.00 0.00 N ATOM 0 H ASN A 27 3.963 -5.477 -5.958 1.00 0.00 H new ATOM 0 HA ASN A 27 6.549 -4.524 -6.311 1.00 0.00 H new ATOM 0 HB2 ASN A 27 3.896 -3.108 -5.819 1.00 0.00 H new ATOM 0 HB3 ASN A 27 5.359 -2.263 -6.284 1.00 0.00 H new ATOM 0 HD21 ASN A 27 5.431 -3.574 -9.652 1.00 0.00 H new ATOM 0 HD22 ASN A 27 6.480 -3.099 -8.312 1.00 0.00 H new ATOM 340 N LEU A 28 5.255 -3.741 -3.391 1.00 0.00 N ATOM 341 CA LEU A 28 5.576 -3.282 -2.045 1.00 0.00 C ATOM 342 C LEU A 28 6.764 -4.040 -1.470 1.00 0.00 C ATOM 343 O LEU A 28 7.601 -3.470 -0.770 1.00 0.00 O ATOM 344 CB LEU A 28 4.364 -3.434 -1.127 1.00 0.00 C ATOM 345 CG LEU A 28 3.974 -4.875 -0.824 1.00 0.00 C ATOM 346 CD1 LEU A 28 4.708 -5.380 0.408 1.00 0.00 C ATOM 347 CD2 LEU A 28 2.468 -4.996 -0.643 1.00 0.00 C ATOM 0 H LEU A 28 4.275 -3.988 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 28 5.845 -2.228 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.570 -2.922 -0.187 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.513 -2.930 -1.584 1.00 0.00 H new ATOM 0 HG LEU A 28 4.265 -5.495 -1.672 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.416 -6.411 0.608 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.783 -5.334 0.235 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.452 -4.757 1.265 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.210 -6.033 -0.427 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.149 -4.363 0.185 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.965 -4.679 -1.557 1.00 0.00 H new ATOM 359 N ARG A 29 6.826 -5.330 -1.766 1.00 0.00 N ATOM 360 CA ARG A 29 7.902 -6.177 -1.279 1.00 0.00 C ATOM 361 C ARG A 29 9.256 -5.610 -1.639 1.00 0.00 C ATOM 362 O ARG A 29 10.145 -5.512 -0.793 1.00 0.00 O ATOM 363 CB ARG A 29 7.750 -7.592 -1.826 1.00 0.00 C ATOM 364 CG ARG A 29 6.431 -8.230 -1.440 1.00 0.00 C ATOM 365 CD ARG A 29 6.536 -8.952 -0.114 1.00 0.00 C ATOM 366 NE ARG A 29 7.553 -10.001 -0.140 1.00 0.00 N ATOM 367 CZ ARG A 29 7.313 -11.263 -0.489 1.00 0.00 C ATOM 368 NH1 ARG A 29 6.095 -11.642 -0.858 1.00 0.00 N ATOM 369 NH2 ARG A 29 8.299 -12.151 -0.476 1.00 0.00 N ATOM 0 H ARG A 29 6.139 -5.814 -2.344 1.00 0.00 H new ATOM 0 HA ARG A 29 7.837 -6.212 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.833 -7.568 -2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.569 -8.209 -1.457 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.658 -7.464 -1.379 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.124 -8.932 -2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.775 -8.235 0.671 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.570 -9.390 0.138 1.00 0.00 H new ATOM 0 HE ARG A 29 8.505 -9.751 0.126 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.333 -10.964 -0.876 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.921 -12.611 -1.124 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.238 -11.866 -0.199 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.117 -13.119 -0.743 1.00 0.00 H new ATOM 383 N ALA A 30 9.403 -5.215 -2.888 1.00 0.00 N ATOM 384 CA ALA A 30 10.649 -4.629 -3.343 1.00 0.00 C ATOM 385 C ALA A 30 11.054 -3.499 -2.406 1.00 0.00 C ATOM 386 O ALA A 30 12.238 -3.210 -2.226 1.00 0.00 O ATOM 387 CB ALA A 30 10.514 -4.123 -4.772 1.00 0.00 C ATOM 0 H ALA A 30 8.679 -5.288 -3.603 1.00 0.00 H new ATOM 0 HA ALA A 30 11.426 -5.393 -3.332 1.00 0.00 H new ATOM 0 HB1 ALA A 30 11.460 -3.687 -5.094 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.254 -4.953 -5.429 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.731 -3.366 -4.817 1.00 0.00 H new ATOM 393 N GLN A 31 10.047 -2.881 -1.796 1.00 0.00 N ATOM 394 CA GLN A 31 10.262 -1.796 -0.850 1.00 0.00 C ATOM 395 C GLN A 31 10.605 -2.350 0.526 1.00 0.00 C ATOM 396 O GLN A 31 11.754 -2.297 0.964 1.00 0.00 O ATOM 397 CB GLN A 31 9.024 -0.897 -0.771 1.00 0.00 C ATOM 398 CG GLN A 31 8.366 -0.647 -2.117 1.00 0.00 C ATOM 399 CD GLN A 31 7.723 0.723 -2.204 1.00 0.00 C ATOM 400 OE1 GLN A 31 6.579 0.912 -1.793 1.00 0.00 O ATOM 401 NE2 GLN A 31 8.460 1.687 -2.741 1.00 0.00 N ATOM 0 H GLN A 31 9.066 -3.118 -1.943 1.00 0.00 H new ATOM 0 HA GLN A 31 11.101 -1.196 -1.201 1.00 0.00 H new ATOM 0 HB2 GLN A 31 8.296 -1.353 -0.100 1.00 0.00 H new ATOM 0 HB3 GLN A 31 9.307 0.059 -0.331 1.00 0.00 H new ATOM 0 HG2 GLN A 31 9.112 -0.745 -2.906 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.610 -1.412 -2.296 1.00 0.00 H new ATOM 0 HE21 GLN A 31 9.404 1.484 -3.069 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.082 2.631 -2.826 1.00 0.00 H new ATOM 410 N GLN A 32 9.588 -2.881 1.204 1.00 0.00 N ATOM 411 CA GLN A 32 9.753 -3.451 2.537 1.00 0.00 C ATOM 412 C GLN A 32 10.515 -2.504 3.464 1.00 0.00 C ATOM 413 O GLN A 32 11.052 -2.922 4.490 1.00 0.00 O ATOM 414 CB GLN A 32 10.470 -4.792 2.439 1.00 0.00 C ATOM 415 CG GLN A 32 9.793 -5.903 3.225 1.00 0.00 C ATOM 416 CD GLN A 32 9.739 -7.209 2.456 1.00 0.00 C ATOM 417 OE1 GLN A 32 8.732 -7.356 1.601 1.00 0.00 O flip ATOM 418 NE2 GLN A 32 10.595 -8.077 2.627 1.00 0.00 N flip ATOM 0 H GLN A 32 8.634 -2.927 0.846 1.00 0.00 H new ATOM 0 HA GLN A 32 8.763 -3.602 2.967 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.532 -5.086 1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.492 -4.675 2.798 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.328 -6.059 4.162 1.00 0.00 H new ATOM 0 HG3 GLN A 32 8.780 -5.595 3.484 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.351 -7.923 3.294 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.548 -8.950 2.102 1.00 0.00 H new ATOM 427 N GLY A 33 10.546 -1.228 3.099 1.00 0.00 N ATOM 428 CA GLY A 33 11.227 -0.232 3.904 1.00 0.00 C ATOM 429 C GLY A 33 10.344 0.970 4.164 1.00 0.00 C ATOM 430 O GLY A 33 9.704 1.063 5.212 1.00 0.00 O ATOM 0 H GLY A 33 10.108 -0.863 2.253 1.00 0.00 H new ATOM 0 HA2 GLY A 33 11.529 -0.675 4.853 1.00 0.00 H new ATOM 0 HA3 GLY A 33 12.137 0.087 3.397 1.00 0.00 H new ATOM 434 N CYS A 34 10.294 1.885 3.202 1.00 0.00 N ATOM 435 CA CYS A 34 9.470 3.073 3.324 1.00 0.00 C ATOM 436 C CYS A 34 8.007 2.685 3.454 1.00 0.00 C ATOM 437 O CYS A 34 7.233 3.330 4.159 1.00 0.00 O ATOM 438 CB CYS A 34 9.663 3.979 2.119 1.00 0.00 C ATOM 439 SG CYS A 34 9.309 5.740 2.430 1.00 0.00 S ATOM 0 H CYS A 34 10.817 1.823 2.329 1.00 0.00 H new ATOM 0 HA CYS A 34 9.774 3.614 4.220 1.00 0.00 H new ATOM 0 HB2 CYS A 34 10.692 3.885 1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 34 9.020 3.630 1.311 1.00 0.00 H new ATOM 444 N PHE A 35 7.649 1.612 2.767 1.00 0.00 N ATOM 445 CA PHE A 35 6.288 1.090 2.784 1.00 0.00 C ATOM 446 C PHE A 35 5.849 0.793 4.213 1.00 0.00 C ATOM 447 O PHE A 35 4.694 1.004 4.582 1.00 0.00 O ATOM 448 CB PHE A 35 6.226 -0.169 1.904 1.00 0.00 C ATOM 449 CG PHE A 35 5.257 -1.233 2.352 1.00 0.00 C ATOM 450 CD1 PHE A 35 3.974 -0.909 2.764 1.00 0.00 C ATOM 451 CD2 PHE A 35 5.639 -2.566 2.351 1.00 0.00 C ATOM 452 CE1 PHE A 35 3.092 -1.895 3.167 1.00 0.00 C ATOM 453 CE2 PHE A 35 4.763 -3.555 2.752 1.00 0.00 C ATOM 454 CZ PHE A 35 3.488 -3.220 3.160 1.00 0.00 C ATOM 0 H PHE A 35 8.291 1.078 2.182 1.00 0.00 H new ATOM 0 HA PHE A 35 5.601 1.835 2.383 1.00 0.00 H new ATOM 0 HB2 PHE A 35 5.963 0.132 0.890 1.00 0.00 H new ATOM 0 HB3 PHE A 35 7.223 -0.607 1.858 1.00 0.00 H new ATOM 0 HD1 PHE A 35 3.660 0.124 2.770 1.00 0.00 H new ATOM 0 HD2 PHE A 35 6.635 -2.834 2.032 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.095 -1.631 3.487 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.075 -4.589 2.746 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.800 -3.992 3.473 1.00 0.00 H new ATOM 464 N CYS A 36 6.786 0.306 5.006 1.00 0.00 N ATOM 465 CA CYS A 36 6.517 -0.024 6.402 1.00 0.00 C ATOM 466 C CYS A 36 6.349 1.241 7.243 1.00 0.00 C ATOM 467 O CYS A 36 5.369 1.385 7.974 1.00 0.00 O ATOM 468 CB CYS A 36 7.647 -0.883 6.972 1.00 0.00 C ATOM 469 SG CYS A 36 7.082 -2.215 8.080 1.00 0.00 S ATOM 0 H CYS A 36 7.746 0.128 4.709 1.00 0.00 H new ATOM 0 HA CYS A 36 5.585 -0.588 6.440 1.00 0.00 H new ATOM 0 HB2 CYS A 36 8.206 -1.324 6.146 1.00 0.00 H new ATOM 0 HB3 CYS A 36 8.338 -0.240 7.517 1.00 0.00 H new ATOM 474 N GLN A 37 7.313 2.151 7.138 1.00 0.00 N ATOM 475 CA GLN A 37 7.276 3.395 7.887 1.00 0.00 C ATOM 476 C GLN A 37 6.189 4.324 7.360 1.00 0.00 C ATOM 477 O GLN A 37 5.705 5.199 8.078 1.00 0.00 O ATOM 478 CB GLN A 37 8.635 4.097 7.838 1.00 0.00 C ATOM 479 CG GLN A 37 9.179 4.286 6.432 1.00 0.00 C ATOM 480 CD GLN A 37 10.109 5.480 6.321 1.00 0.00 C ATOM 481 OE1 GLN A 37 10.222 6.279 7.250 1.00 0.00 O ATOM 482 NE2 GLN A 37 10.783 5.609 5.181 1.00 0.00 N ATOM 0 H GLN A 37 8.131 2.046 6.538 1.00 0.00 H new ATOM 0 HA GLN A 37 7.044 3.149 8.923 1.00 0.00 H new ATOM 0 HB2 GLN A 37 8.547 5.072 8.317 1.00 0.00 H new ATOM 0 HB3 GLN A 37 9.353 3.519 8.420 1.00 0.00 H new ATOM 0 HG2 GLN A 37 9.713 3.385 6.129 1.00 0.00 H new ATOM 0 HG3 GLN A 37 8.347 4.412 5.739 1.00 0.00 H new ATOM 0 HE21 GLN A 37 10.660 4.924 4.436 1.00 0.00 H new ATOM 0 HE22 GLN A 37 11.423 6.393 5.053 1.00 0.00 H new ATOM 491 N TYR A 38 5.803 4.122 6.105 1.00 0.00 N ATOM 492 CA TYR A 38 4.765 4.937 5.483 1.00 0.00 C ATOM 493 C TYR A 38 3.491 4.923 6.323 1.00 0.00 C ATOM 494 O TYR A 38 2.661 5.827 6.227 1.00 0.00 O ATOM 495 CB TYR A 38 4.468 4.429 4.069 1.00 0.00 C ATOM 496 CG TYR A 38 4.903 5.380 2.978 1.00 0.00 C ATOM 497 CD1 TYR A 38 4.450 6.693 2.952 1.00 0.00 C ATOM 498 CD2 TYR A 38 5.768 4.965 1.972 1.00 0.00 C ATOM 499 CE1 TYR A 38 4.845 7.565 1.955 1.00 0.00 C ATOM 500 CE2 TYR A 38 6.168 5.831 0.973 1.00 0.00 C ATOM 501 CZ TYR A 38 5.704 7.129 0.969 1.00 0.00 C ATOM 502 OH TYR A 38 6.100 7.995 -0.025 1.00 0.00 O ATOM 0 H TYR A 38 6.193 3.401 5.498 1.00 0.00 H new ATOM 0 HA TYR A 38 5.127 5.963 5.422 1.00 0.00 H new ATOM 0 HB2 TYR A 38 4.968 3.471 3.924 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.397 4.248 3.975 1.00 0.00 H new ATOM 0 HD1 TYR A 38 3.778 7.038 3.724 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.133 3.949 1.972 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.483 8.582 1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.841 5.493 0.199 1.00 0.00 H new ATOM 0 HH TYR A 38 6.706 7.532 -0.640 1.00 0.00 H new ATOM 512 N ALA A 39 3.344 3.889 7.148 1.00 0.00 N ATOM 513 CA ALA A 39 2.175 3.752 8.005 1.00 0.00 C ATOM 514 C ALA A 39 1.979 4.977 8.895 1.00 0.00 C ATOM 515 O ALA A 39 0.886 5.210 9.411 1.00 0.00 O ATOM 516 CB ALA A 39 2.291 2.497 8.855 1.00 0.00 C ATOM 0 H ALA A 39 4.023 3.133 7.239 1.00 0.00 H new ATOM 0 HA ALA A 39 1.300 3.669 7.360 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.411 2.406 9.491 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.362 1.624 8.207 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.184 2.560 9.477 1.00 0.00 H new ATOM 522 N LYS A 40 3.040 5.758 9.073 1.00 0.00 N ATOM 523 CA LYS A 40 2.977 6.957 9.902 1.00 0.00 C ATOM 524 C LYS A 40 2.692 8.192 9.056 1.00 0.00 C ATOM 525 O LYS A 40 2.188 9.198 9.555 1.00 0.00 O ATOM 526 CB LYS A 40 4.287 7.142 10.670 1.00 0.00 C ATOM 527 CG LYS A 40 4.134 7.958 11.945 1.00 0.00 C ATOM 528 CD LYS A 40 4.584 7.175 13.168 1.00 0.00 C ATOM 529 CE LYS A 40 3.681 5.981 13.430 1.00 0.00 C ATOM 530 NZ LYS A 40 3.863 5.436 14.803 1.00 0.00 N ATOM 0 H LYS A 40 3.953 5.582 8.654 1.00 0.00 H new ATOM 0 HA LYS A 40 2.161 6.831 10.614 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.693 6.162 10.922 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.014 7.630 10.021 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.719 8.874 11.864 1.00 0.00 H new ATOM 0 HG3 LYS A 40 3.092 8.254 12.065 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.609 6.833 13.025 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.585 7.829 14.040 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.641 6.276 13.292 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.891 5.200 12.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 3.229 4.623 14.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.849 5.131 14.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 3.638 6.173 15.502 1.00 0.00 H new ATOM 544 N ASP A 41 3.016 8.105 7.772 1.00 0.00 N ATOM 545 CA ASP A 41 2.797 9.209 6.847 1.00 0.00 C ATOM 546 C ASP A 41 1.321 9.617 6.828 1.00 0.00 C ATOM 547 O ASP A 41 0.459 8.829 6.442 1.00 0.00 O ATOM 548 CB ASP A 41 3.252 8.805 5.443 1.00 0.00 C ATOM 549 CG ASP A 41 3.063 9.913 4.425 1.00 0.00 C ATOM 550 OD1 ASP A 41 1.936 10.442 4.324 1.00 0.00 O ATOM 551 OD2 ASP A 41 4.042 10.252 3.728 1.00 0.00 O ATOM 0 H ASP A 41 3.433 7.277 7.346 1.00 0.00 H new ATOM 0 HA ASP A 41 3.382 10.066 7.182 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.304 8.521 5.474 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.694 7.925 5.124 1.00 0.00 H new ATOM 556 N PRO A 42 1.008 10.857 7.253 1.00 0.00 N ATOM 557 CA PRO A 42 -0.371 11.354 7.287 1.00 0.00 C ATOM 558 C PRO A 42 -0.900 11.720 5.903 1.00 0.00 C ATOM 559 O PRO A 42 -2.033 11.389 5.554 1.00 0.00 O ATOM 560 CB PRO A 42 -0.269 12.600 8.165 1.00 0.00 C ATOM 561 CG PRO A 42 1.121 13.091 7.958 1.00 0.00 C ATOM 562 CD PRO A 42 1.970 11.867 7.740 1.00 0.00 C ATOM 0 HA PRO A 42 -1.065 10.601 7.660 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -1.003 13.352 7.874 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -0.454 12.363 9.213 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.174 13.760 7.099 1.00 0.00 H new ATOM 0 HG3 PRO A 42 1.467 13.656 8.823 1.00 0.00 H new ATOM 0 HD2 PRO A 42 2.760 12.052 7.012 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.455 11.546 8.662 1.00 0.00 H new ATOM 570 N THR A 43 -0.075 12.410 5.119 1.00 0.00 N ATOM 571 CA THR A 43 -0.464 12.827 3.773 1.00 0.00 C ATOM 572 C THR A 43 -1.004 11.650 2.964 1.00 0.00 C ATOM 573 O THR A 43 -1.995 11.781 2.245 1.00 0.00 O ATOM 574 CB THR A 43 0.726 13.456 3.047 1.00 0.00 C ATOM 575 OG1 THR A 43 1.875 12.634 3.158 1.00 0.00 O ATOM 576 CG2 THR A 43 1.090 14.829 3.570 1.00 0.00 C ATOM 0 H THR A 43 0.866 12.692 5.392 1.00 0.00 H new ATOM 0 HA THR A 43 -1.258 13.568 3.869 1.00 0.00 H new ATOM 0 HB THR A 43 0.410 13.553 2.008 1.00 0.00 H new ATOM 0 HG1 THR A 43 1.663 11.847 3.703 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.942 15.217 3.011 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.240 15.501 3.450 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.350 14.759 4.626 1.00 0.00 H new ATOM 584 N TYR A 44 -0.346 10.502 3.086 1.00 0.00 N ATOM 585 CA TYR A 44 -0.762 9.303 2.366 1.00 0.00 C ATOM 586 C TYR A 44 -1.646 8.413 3.239 1.00 0.00 C ATOM 587 O TYR A 44 -1.868 7.244 2.923 1.00 0.00 O ATOM 588 CB TYR A 44 0.464 8.517 1.899 1.00 0.00 C ATOM 589 CG TYR A 44 1.250 9.210 0.809 1.00 0.00 C ATOM 590 CD1 TYR A 44 2.049 10.310 1.094 1.00 0.00 C ATOM 591 CD2 TYR A 44 1.192 8.765 -0.506 1.00 0.00 C ATOM 592 CE1 TYR A 44 2.768 10.946 0.101 1.00 0.00 C ATOM 593 CE2 TYR A 44 1.908 9.397 -1.505 1.00 0.00 C ATOM 594 CZ TYR A 44 2.695 10.486 -1.196 1.00 0.00 C ATOM 595 OH TYR A 44 3.410 11.118 -2.188 1.00 0.00 O ATOM 0 H TYR A 44 0.477 10.376 3.676 1.00 0.00 H new ATOM 0 HA TYR A 44 -1.343 9.617 1.499 1.00 0.00 H new ATOM 0 HB2 TYR A 44 1.119 8.342 2.752 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.143 7.540 1.538 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.109 10.674 2.109 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.577 7.911 -0.751 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.385 11.800 0.340 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.851 9.040 -2.523 1.00 0.00 H new ATOM 0 HH TYR A 44 3.249 10.669 -3.044 1.00 0.00 H new ATOM 605 N GLY A 45 -2.147 8.972 4.337 1.00 0.00 N ATOM 606 CA GLY A 45 -2.998 8.212 5.234 1.00 0.00 C ATOM 607 C GLY A 45 -4.236 7.674 4.545 1.00 0.00 C ATOM 608 O GLY A 45 -4.778 6.644 4.945 1.00 0.00 O ATOM 0 H GLY A 45 -1.979 9.937 4.621 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.429 7.381 5.652 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.297 8.846 6.069 1.00 0.00 H new ATOM 612 N GLN A 46 -4.685 8.370 3.506 1.00 0.00 N ATOM 613 CA GLN A 46 -5.864 7.954 2.761 1.00 0.00 C ATOM 614 C GLN A 46 -5.567 6.712 1.928 1.00 0.00 C ATOM 615 O GLN A 46 -6.468 5.936 1.609 1.00 0.00 O ATOM 616 CB GLN A 46 -6.349 9.089 1.856 1.00 0.00 C ATOM 617 CG GLN A 46 -7.857 9.276 1.872 1.00 0.00 C ATOM 618 CD GLN A 46 -8.284 10.612 1.296 1.00 0.00 C ATOM 619 OE1 GLN A 46 -7.947 10.948 0.161 1.00 0.00 O ATOM 620 NE2 GLN A 46 -9.029 11.382 2.080 1.00 0.00 N ATOM 0 H GLN A 46 -4.249 9.225 3.162 1.00 0.00 H new ATOM 0 HA GLN A 46 -6.650 7.711 3.476 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -5.872 10.019 2.166 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.026 8.891 0.834 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.325 8.473 1.303 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.219 9.194 2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -9.285 11.063 3.014 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.346 12.293 1.748 1.00 0.00 H new ATOM 629 N TYR A 47 -4.298 6.534 1.576 1.00 0.00 N ATOM 630 CA TYR A 47 -3.879 5.390 0.778 1.00 0.00 C ATOM 631 C TYR A 47 -3.847 4.120 1.619 1.00 0.00 C ATOM 632 O TYR A 47 -4.420 3.098 1.244 1.00 0.00 O ATOM 633 CB TYR A 47 -2.503 5.642 0.185 1.00 0.00 C ATOM 634 CG TYR A 47 -2.231 4.870 -1.084 1.00 0.00 C ATOM 635 CD1 TYR A 47 -2.567 5.397 -2.323 1.00 0.00 C ATOM 636 CD2 TYR A 47 -1.631 3.619 -1.040 1.00 0.00 C ATOM 637 CE1 TYR A 47 -2.313 4.696 -3.486 1.00 0.00 C ATOM 638 CE2 TYR A 47 -1.374 2.912 -2.198 1.00 0.00 C ATOM 639 CZ TYR A 47 -1.716 3.455 -3.418 1.00 0.00 C ATOM 640 OH TYR A 47 -1.458 2.755 -4.574 1.00 0.00 O ATOM 0 H TYR A 47 -3.542 7.169 1.832 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.603 5.257 -0.026 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -2.396 6.707 -0.020 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -1.746 5.382 0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -3.034 6.369 -2.379 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -1.361 3.192 -0.085 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -2.581 5.118 -4.443 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -0.908 1.939 -2.148 1.00 0.00 H new ATOM 0 HH TYR A 47 -0.498 2.787 -4.768 1.00 0.00 H new ATOM 650 N ILE A 48 -3.162 4.192 2.755 1.00 0.00 N ATOM 651 CA ILE A 48 -3.040 3.051 3.650 1.00 0.00 C ATOM 652 C ILE A 48 -4.367 2.726 4.327 1.00 0.00 C ATOM 653 O ILE A 48 -4.741 1.559 4.448 1.00 0.00 O ATOM 654 CB ILE A 48 -1.970 3.298 4.730 1.00 0.00 C ATOM 655 CG1 ILE A 48 -0.663 3.757 4.080 1.00 0.00 C ATOM 656 CG2 ILE A 48 -1.749 2.039 5.557 1.00 0.00 C ATOM 657 CD1 ILE A 48 0.458 3.985 5.070 1.00 0.00 C ATOM 0 H ILE A 48 -2.682 5.032 3.077 1.00 0.00 H new ATOM 0 HA ILE A 48 -2.739 2.203 3.035 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.319 4.086 5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.347 3.010 3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.845 4.681 3.531 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.990 2.231 6.316 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.683 1.754 6.042 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.416 1.230 4.907 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.353 4.309 4.538 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.162 4.754 5.784 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.668 3.057 5.602 1.00 0.00 H new ATOM 669 N ARG A 49 -5.077 3.760 4.774 1.00 0.00 N ATOM 670 CA ARG A 49 -6.361 3.570 5.445 1.00 0.00 C ATOM 671 C ARG A 49 -7.501 3.354 4.455 1.00 0.00 C ATOM 672 O ARG A 49 -8.656 3.664 4.747 1.00 0.00 O ATOM 673 CB ARG A 49 -6.673 4.760 6.354 1.00 0.00 C ATOM 674 CG ARG A 49 -5.730 4.885 7.539 1.00 0.00 C ATOM 675 CD ARG A 49 -5.631 6.323 8.023 1.00 0.00 C ATOM 676 NE ARG A 49 -5.107 6.408 9.384 1.00 0.00 N ATOM 677 CZ ARG A 49 -4.590 7.516 9.912 1.00 0.00 C ATOM 678 NH1 ARG A 49 -4.527 8.632 9.197 1.00 0.00 N ATOM 679 NH2 ARG A 49 -4.138 7.507 11.159 1.00 0.00 N ATOM 0 H ARG A 49 -4.787 4.734 4.684 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.275 2.668 6.050 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.628 5.677 5.766 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.695 4.667 6.722 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -6.080 4.249 8.352 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.740 4.526 7.257 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -4.986 6.888 7.350 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.617 6.787 7.984 1.00 0.00 H new ATOM 0 HE ARG A 49 -5.139 5.570 9.964 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -4.875 8.644 8.238 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -4.130 9.478 9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.186 6.652 11.713 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.742 8.355 11.564 1.00 0.00 H new ATOM 693 N SER A 50 -7.174 2.809 3.295 1.00 0.00 N ATOM 694 CA SER A 50 -8.168 2.533 2.271 1.00 0.00 C ATOM 695 C SER A 50 -8.901 1.230 2.577 1.00 0.00 C ATOM 696 O SER A 50 -8.436 0.430 3.387 1.00 0.00 O ATOM 697 CB SER A 50 -7.505 2.454 0.906 1.00 0.00 C ATOM 698 OG SER A 50 -8.373 2.914 -0.115 1.00 0.00 O ATOM 0 H SER A 50 -6.222 2.548 3.038 1.00 0.00 H new ATOM 0 HA SER A 50 -8.894 3.346 2.263 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.593 3.051 0.907 1.00 0.00 H new ATOM 0 HB3 SER A 50 -7.212 1.424 0.701 1.00 0.00 H new ATOM 0 HG SER A 50 -8.170 2.447 -0.952 1.00 0.00 H new ATOM 704 N PRO A 51 -10.048 0.986 1.924 1.00 0.00 N ATOM 705 CA PRO A 51 -10.818 -0.232 2.127 1.00 0.00 C ATOM 706 C PRO A 51 -10.252 -1.400 1.328 1.00 0.00 C ATOM 707 O PRO A 51 -10.090 -2.507 1.841 1.00 0.00 O ATOM 708 CB PRO A 51 -12.226 0.128 1.629 1.00 0.00 C ATOM 709 CG PRO A 51 -12.118 1.452 0.928 1.00 0.00 C ATOM 710 CD PRO A 51 -10.668 1.859 0.921 1.00 0.00 C ATOM 0 HA PRO A 51 -10.801 -0.554 3.168 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -12.603 -0.638 0.951 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -12.926 0.189 2.462 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -12.497 1.375 -0.091 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -12.722 2.203 1.437 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -10.219 1.719 -0.062 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -10.548 2.911 1.179 1.00 0.00 H new ATOM 718 N HIS A 52 -9.969 -1.133 0.061 1.00 0.00 N ATOM 719 CA HIS A 52 -9.434 -2.138 -0.852 1.00 0.00 C ATOM 720 C HIS A 52 -7.927 -2.319 -0.673 1.00 0.00 C ATOM 721 O HIS A 52 -7.359 -3.318 -1.113 1.00 0.00 O ATOM 722 CB HIS A 52 -9.750 -1.754 -2.306 1.00 0.00 C ATOM 723 CG HIS A 52 -10.875 -0.767 -2.437 1.00 0.00 C ATOM 724 ND1 HIS A 52 -10.874 0.266 -3.350 1.00 0.00 N ATOM 725 CD2 HIS A 52 -12.032 -0.647 -1.742 1.00 0.00 C ATOM 726 CE1 HIS A 52 -11.980 0.977 -3.208 1.00 0.00 C ATOM 727 NE2 HIS A 52 -12.699 0.441 -2.241 1.00 0.00 N ATOM 0 H HIS A 52 -10.103 -0.216 -0.364 1.00 0.00 H new ATOM 0 HA HIS A 52 -9.913 -3.088 -0.616 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -8.855 -1.335 -2.765 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -10.002 -2.656 -2.864 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -10.136 0.453 -4.029 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -12.367 -1.291 -0.942 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -12.249 1.849 -3.786 1.00 0.00 H new ATOM 736 N ALA A 53 -7.282 -1.346 -0.036 1.00 0.00 N ATOM 737 CA ALA A 53 -5.847 -1.400 0.184 1.00 0.00 C ATOM 738 C ALA A 53 -5.460 -2.599 1.032 1.00 0.00 C ATOM 739 O ALA A 53 -4.674 -3.449 0.613 1.00 0.00 O ATOM 740 CB ALA A 53 -5.362 -0.114 0.836 1.00 0.00 C ATOM 0 H ALA A 53 -7.734 -0.511 0.336 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.365 -1.508 -0.788 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.285 -0.170 0.994 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.590 0.731 0.187 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.863 0.019 1.795 1.00 0.00 H new ATOM 746 N ARG A 54 -6.015 -2.649 2.228 1.00 0.00 N ATOM 747 CA ARG A 54 -5.737 -3.732 3.161 1.00 0.00 C ATOM 748 C ARG A 54 -6.091 -5.081 2.554 1.00 0.00 C ATOM 749 O ARG A 54 -5.455 -6.094 2.846 1.00 0.00 O ATOM 750 CB ARG A 54 -6.510 -3.532 4.466 1.00 0.00 C ATOM 751 CG ARG A 54 -6.446 -2.116 5.006 1.00 0.00 C ATOM 752 CD ARG A 54 -7.817 -1.625 5.435 1.00 0.00 C ATOM 753 NE ARG A 54 -7.726 -0.401 6.218 1.00 0.00 N ATOM 754 CZ ARG A 54 -8.773 0.349 6.553 1.00 0.00 C ATOM 755 NH1 ARG A 54 -9.996 0.001 6.172 1.00 0.00 N ATOM 756 NH2 ARG A 54 -8.597 1.450 7.270 1.00 0.00 N ATOM 0 H ARG A 54 -6.666 -1.948 2.581 1.00 0.00 H new ATOM 0 HA ARG A 54 -4.668 -3.718 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -7.554 -3.802 4.304 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -6.117 -4.216 5.218 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -5.763 -2.079 5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -6.042 -1.451 4.242 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -8.433 -1.449 4.554 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -8.314 -2.397 6.022 1.00 0.00 H new ATOM 0 HE ARG A 54 -6.803 -0.100 6.529 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -10.137 -0.845 5.620 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.795 0.579 6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -7.659 1.722 7.565 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.399 2.025 7.527 1.00 0.00 H new ATOM 770 N ASP A 55 -7.110 -5.086 1.711 1.00 0.00 N ATOM 771 CA ASP A 55 -7.556 -6.309 1.061 1.00 0.00 C ATOM 772 C ASP A 55 -6.499 -6.831 0.103 1.00 0.00 C ATOM 773 O ASP A 55 -6.200 -8.024 0.078 1.00 0.00 O ATOM 774 CB ASP A 55 -8.863 -6.075 0.319 1.00 0.00 C ATOM 775 CG ASP A 55 -9.672 -7.347 0.155 1.00 0.00 C ATOM 776 OD1 ASP A 55 -10.322 -7.768 1.136 1.00 0.00 O ATOM 777 OD2 ASP A 55 -9.655 -7.922 -0.953 1.00 0.00 O ATOM 0 H ASP A 55 -7.646 -4.255 1.460 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.721 -7.059 1.835 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -9.457 -5.337 0.859 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -8.649 -5.655 -0.664 1.00 0.00 H new ATOM 782 N THR A 56 -5.936 -5.926 -0.678 1.00 0.00 N ATOM 783 CA THR A 56 -4.909 -6.279 -1.639 1.00 0.00 C ATOM 784 C THR A 56 -3.700 -6.889 -0.941 1.00 0.00 C ATOM 785 O THR A 56 -3.235 -7.967 -1.311 1.00 0.00 O ATOM 786 CB THR A 56 -4.490 -5.055 -2.437 1.00 0.00 C ATOM 787 OG1 THR A 56 -5.587 -4.180 -2.630 1.00 0.00 O ATOM 788 CG2 THR A 56 -3.919 -5.390 -3.798 1.00 0.00 C ATOM 0 H THR A 56 -6.176 -4.935 -0.664 1.00 0.00 H new ATOM 0 HA THR A 56 -5.322 -7.022 -2.322 1.00 0.00 H new ATOM 0 HB THR A 56 -3.708 -4.580 -1.844 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.704 -3.622 -1.833 1.00 0.00 H new ATOM 0 HG21 THR A 56 -3.641 -4.470 -4.312 1.00 0.00 H new ATOM 0 HG22 THR A 56 -3.037 -6.019 -3.678 1.00 0.00 H new ATOM 0 HG23 THR A 56 -4.667 -5.922 -4.385 1.00 0.00 H new ATOM 796 N LEU A 57 -3.197 -6.193 0.072 1.00 0.00 N ATOM 797 CA LEU A 57 -2.049 -6.663 0.822 1.00 0.00 C ATOM 798 C LEU A 57 -2.371 -7.960 1.544 1.00 0.00 C ATOM 799 O LEU A 57 -1.584 -8.907 1.534 1.00 0.00 O ATOM 800 CB LEU A 57 -1.601 -5.600 1.817 1.00 0.00 C ATOM 801 CG LEU A 57 -0.421 -4.743 1.361 1.00 0.00 C ATOM 802 CD1 LEU A 57 -0.859 -3.305 1.127 1.00 0.00 C ATOM 803 CD2 LEU A 57 0.711 -4.800 2.377 1.00 0.00 C ATOM 0 H LEU A 57 -3.571 -5.299 0.390 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.236 -6.856 0.122 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.445 -4.945 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.334 -6.090 2.753 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.053 -5.146 0.417 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.004 -2.712 0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.630 -3.280 0.357 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.258 -2.891 2.053 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.541 -4.183 2.032 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.356 -4.427 3.338 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.048 -5.831 2.489 1.00 0.00 H new ATOM 815 N THR A 58 -3.538 -7.992 2.166 1.00 0.00 N ATOM 816 CA THR A 58 -3.980 -9.165 2.895 1.00 0.00 C ATOM 817 C THR A 58 -4.157 -10.345 1.952 1.00 0.00 C ATOM 818 O THR A 58 -3.763 -11.467 2.270 1.00 0.00 O ATOM 819 CB THR A 58 -5.285 -8.879 3.641 1.00 0.00 C ATOM 820 OG1 THR A 58 -5.108 -7.828 4.575 1.00 0.00 O ATOM 821 CG2 THR A 58 -5.820 -10.077 4.396 1.00 0.00 C ATOM 0 H THR A 58 -4.198 -7.214 2.179 1.00 0.00 H new ATOM 0 HA THR A 58 -3.214 -9.419 3.628 1.00 0.00 H new ATOM 0 HB THR A 58 -6.004 -8.606 2.869 1.00 0.00 H new ATOM 0 HG1 THR A 58 -5.136 -6.967 4.108 1.00 0.00 H new ATOM 0 HG21 THR A 58 -6.746 -9.804 4.902 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.014 -10.891 3.697 1.00 0.00 H new ATOM 0 HG23 THR A 58 -5.085 -10.400 5.134 1.00 0.00 H new ATOM 829 N SER A 59 -4.733 -10.090 0.779 1.00 0.00 N ATOM 830 CA SER A 59 -4.930 -11.137 -0.205 1.00 0.00 C ATOM 831 C SER A 59 -3.621 -11.866 -0.441 1.00 0.00 C ATOM 832 O SER A 59 -3.582 -13.088 -0.590 1.00 0.00 O ATOM 833 CB SER A 59 -5.445 -10.549 -1.507 1.00 0.00 C ATOM 834 OG SER A 59 -6.121 -11.526 -2.280 1.00 0.00 O ATOM 0 H SER A 59 -5.068 -9.170 0.493 1.00 0.00 H new ATOM 0 HA SER A 59 -5.671 -11.843 0.171 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.120 -9.720 -1.293 1.00 0.00 H new ATOM 0 HB3 SER A 59 -4.612 -10.141 -2.080 1.00 0.00 H new ATOM 0 HG SER A 59 -6.443 -11.120 -3.112 1.00 0.00 H new ATOM 840 N CYS A 60 -2.549 -11.091 -0.451 1.00 0.00 N ATOM 841 CA CYS A 60 -1.216 -11.616 -0.640 1.00 0.00 C ATOM 842 C CYS A 60 -0.681 -12.189 0.668 1.00 0.00 C ATOM 843 O CYS A 60 -0.036 -13.237 0.681 1.00 0.00 O ATOM 844 CB CYS A 60 -0.297 -10.509 -1.142 1.00 0.00 C ATOM 845 SG CYS A 60 0.893 -11.049 -2.411 1.00 0.00 S ATOM 0 H CYS A 60 -2.584 -10.079 -0.328 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.251 -12.417 -1.379 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.906 -9.703 -1.550 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.253 -10.096 -0.296 1.00 0.00 H new ATOM 850 N GLY A 61 -0.951 -11.488 1.769 1.00 0.00 N ATOM 851 CA GLY A 61 -0.486 -11.940 3.063 1.00 0.00 C ATOM 852 C GLY A 61 1.025 -11.995 3.138 1.00 0.00 C ATOM 853 O GLY A 61 1.598 -13.034 3.466 1.00 0.00 O ATOM 0 H GLY A 61 -1.483 -10.618 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.863 -11.271 3.837 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.895 -12.929 3.269 1.00 0.00 H new ATOM 857 N LEU A 62 1.675 -10.874 2.836 1.00 0.00 N ATOM 858 CA LEU A 62 3.132 -10.815 2.878 1.00 0.00 C ATOM 859 C LEU A 62 3.621 -9.956 4.040 1.00 0.00 C ATOM 860 O LEU A 62 4.340 -10.437 4.916 1.00 0.00 O ATOM 861 CB LEU A 62 3.718 -10.290 1.555 1.00 0.00 C ATOM 862 CG LEU A 62 2.834 -9.338 0.732 1.00 0.00 C ATOM 863 CD1 LEU A 62 3.109 -7.887 1.097 1.00 0.00 C ATOM 864 CD2 LEU A 62 3.078 -9.556 -0.753 1.00 0.00 C ATOM 0 H LEU A 62 1.221 -10.003 2.562 1.00 0.00 H new ATOM 0 HA LEU A 62 3.484 -11.836 3.028 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.653 -9.777 1.778 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.967 -11.148 0.930 1.00 0.00 H new ATOM 0 HG LEU A 62 1.791 -9.556 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.471 -7.235 0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.899 -7.732 2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 62 4.155 -7.653 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.448 -8.878 -1.329 1.00 0.00 H new ATOM 0 HD22 LEU A 62 4.126 -9.361 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 62 2.836 -10.586 -1.014 1.00 0.00 H new ATOM 876 N ALA A 63 3.234 -8.686 4.045 1.00 0.00 N ATOM 877 CA ALA A 63 3.642 -7.775 5.100 1.00 0.00 C ATOM 878 C ALA A 63 2.604 -6.683 5.331 1.00 0.00 C ATOM 879 O ALA A 63 2.128 -6.054 4.386 1.00 0.00 O ATOM 880 CB ALA A 63 4.997 -7.165 4.774 1.00 0.00 C ATOM 0 H ALA A 63 2.639 -8.267 3.330 1.00 0.00 H new ATOM 0 HA ALA A 63 3.725 -8.348 6.023 1.00 0.00 H new ATOM 0 HB1 ALA A 63 5.291 -6.484 5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.740 -7.957 4.681 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.932 -6.616 3.835 1.00 0.00 H new ATOM 886 N VAL A 64 2.266 -6.456 6.595 1.00 0.00 N ATOM 887 CA VAL A 64 1.299 -5.439 6.959 1.00 0.00 C ATOM 888 C VAL A 64 1.988 -4.271 7.667 1.00 0.00 C ATOM 889 O VAL A 64 2.862 -4.481 8.508 1.00 0.00 O ATOM 890 CB VAL A 64 0.192 -6.019 7.865 1.00 0.00 C ATOM 891 CG1 VAL A 64 0.725 -6.312 9.261 1.00 0.00 C ATOM 892 CG2 VAL A 64 -1.000 -5.076 7.927 1.00 0.00 C ATOM 0 H VAL A 64 2.653 -6.969 7.387 1.00 0.00 H new ATOM 0 HA VAL A 64 0.838 -5.078 6.040 1.00 0.00 H new ATOM 0 HB VAL A 64 -0.141 -6.962 7.430 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -0.076 -6.720 9.878 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.537 -7.036 9.196 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.096 -5.390 9.710 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.769 -5.503 8.571 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.683 -4.114 8.330 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -1.404 -4.934 6.925 1.00 0.00 H new ATOM 902 N PRO A 65 1.611 -3.023 7.338 1.00 0.00 N ATOM 903 CA PRO A 65 2.207 -1.832 7.953 1.00 0.00 C ATOM 904 C PRO A 65 2.067 -1.835 9.472 1.00 0.00 C ATOM 905 O PRO A 65 1.849 -2.881 10.083 1.00 0.00 O ATOM 906 CB PRO A 65 1.417 -0.667 7.338 1.00 0.00 C ATOM 907 CG PRO A 65 0.183 -1.287 6.784 1.00 0.00 C ATOM 908 CD PRO A 65 0.583 -2.665 6.349 1.00 0.00 C ATOM 0 HA PRO A 65 3.279 -1.773 7.766 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.177 0.087 8.088 1.00 0.00 H new ATOM 0 HB3 PRO A 65 1.992 -0.168 6.558 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.606 -1.327 7.535 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.204 -0.708 5.945 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.259 -3.358 6.369 1.00 0.00 H new ATOM 0 HD3 PRO A 65 0.977 -2.672 5.333 1.00 0.00 H new ATOM 916 N HIS A 66 2.199 -0.659 10.075 1.00 0.00 N ATOM 917 CA HIS A 66 2.094 -0.525 11.523 1.00 0.00 C ATOM 918 C HIS A 66 3.186 -1.329 12.221 1.00 0.00 C ATOM 919 O HIS A 66 2.987 -1.839 13.324 1.00 0.00 O ATOM 920 CB HIS A 66 0.716 -0.985 12.003 1.00 0.00 C ATOM 921 CG HIS A 66 -0.399 -0.085 11.568 1.00 0.00 C ATOM 922 ND1 HIS A 66 -1.263 -0.399 10.541 1.00 0.00 N ATOM 923 CD2 HIS A 66 -0.790 1.127 12.027 1.00 0.00 C ATOM 924 CE1 HIS A 66 -2.134 0.581 10.388 1.00 0.00 C ATOM 925 NE2 HIS A 66 -1.869 1.518 11.277 1.00 0.00 N ATOM 0 H HIS A 66 2.379 0.216 9.583 1.00 0.00 H new ATOM 0 HA HIS A 66 2.223 0.527 11.777 1.00 0.00 H new ATOM 0 HB2 HIS A 66 0.527 -1.991 11.629 1.00 0.00 H new ATOM 0 HB3 HIS A 66 0.720 -1.045 13.091 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -0.336 1.683 12.834 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -2.929 0.610 9.658 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -2.383 2.392 11.389 1.00 0.00 H new ATOM 934 N CYS A 67 4.339 -1.437 11.569 1.00 0.00 N ATOM 935 CA CYS A 67 5.466 -2.178 12.124 1.00 0.00 C ATOM 936 C CYS A 67 6.245 -1.320 13.116 1.00 0.00 C ATOM 937 O CYS A 67 6.291 -1.690 14.308 1.00 0.00 O ATOM 938 CB CYS A 67 6.394 -2.652 11.003 1.00 0.00 C ATOM 939 SG CYS A 67 6.968 -1.320 9.899 1.00 0.00 S ATOM 940 OXT CYS A 67 6.803 -0.286 12.692 1.00 0.00 O ATOM 0 H CYS A 67 4.518 -1.021 10.655 1.00 0.00 H new ATOM 0 HA CYS A 67 5.073 -3.047 12.652 1.00 0.00 H new ATOM 0 HB2 CYS A 67 7.261 -3.141 11.446 1.00 0.00 H new ATOM 0 HB3 CYS A 67 5.874 -3.403 10.409 1.00 0.00 H new TER 945 CYS A 67 HETATM 946 C1 PGM A 68 -4.626 -8.785 15.980 1.00 0.00 C HETATM 947 O1 PGM A 68 -5.901 -9.368 16.088 1.00 0.00 O HETATM 948 C2 PGM A 68 -4.514 -8.115 14.682 1.00 0.00 C HETATM 949 O2 PGM A 68 -3.192 -8.229 14.219 1.00 0.00 O HETATM 950 C3 PGM A 68 -4.872 -6.697 14.765 1.00 0.00 C HETATM 951 O4 PGM A 68 -4.453 -6.052 13.554 1.00 0.00 O HETATM 952 P5 PGM A 68 -5.571 -5.662 12.472 1.00 0.00 P HETATM 953 O5A PGM A 68 -6.138 -6.899 11.889 1.00 0.00 O HETATM 954 O5B PGM A 68 -6.506 -4.698 13.091 1.00 0.00 O HETATM 955 O6 PGM A 68 -4.771 -4.895 11.317 1.00 0.00 O HETATM 956 C7 PGM A 68 -5.517 -4.403 10.127 1.00 0.00 C HETATM 957 C8 PGM A 68 -4.674 -4.071 8.976 1.00 0.00 C HETATM 958 O8 PGM A 68 -4.502 -5.067 7.998 1.00 0.00 O HETATM 959 C9 PGM A 68 -5.092 -2.849 8.336 1.00 0.00 C HETATM 960 OQ1 PGM A 68 -4.809 -0.014 7.540 1.00 0.00 O HETATM 961 OQ2 PGM A 68 -3.987 -1.843 8.332 1.00 0.00 O HETATM 962 CA PGM A 68 -3.983 -0.990 7.498 1.00 0.00 C HETATM 963 CB PGM A 68 -2.954 -0.905 6.454 1.00 0.00 C HETATM 964 CC PGM A 68 -3.420 -1.153 5.044 1.00 0.00 C HETATM 965 CD PGM A 68 -2.357 -1.659 4.109 1.00 0.00 C HETATM 966 CE PGM A 68 -1.918 -0.659 3.082 1.00 0.00 C HETATM 967 CF PGM A 68 -0.482 -0.244 3.200 1.00 0.00 C HETATM 968 CG PGM A 68 0.086 0.397 1.967 1.00 0.00 C HETATM 969 CH PGM A 68 1.294 1.244 2.191 1.00 0.00 C HETATM 970 CI PGM A 68 2.108 1.523 0.971 1.00 0.00 C HETATM 971 CJ PGM A 68 2.257 2.970 0.637 1.00 0.00 C HETATM 972 CK PGM A 68 1.510 3.430 -0.572 1.00 0.00 C HETATM 973 CL PGM A 68 1.860 4.805 -1.053 1.00 0.00 C HETATM 974 CM PGM A 68 0.805 5.484 -1.866 1.00 0.00 C HETATM 975 CN PGM A 68 1.102 5.599 -3.327 1.00 0.00 C HETATM 976 CO PGM A 68 0.893 6.958 -3.914 1.00 0.00 C HETATM 977 CP PGM A 68 2.061 7.481 -4.697 1.00 0.00 C HETATM 0 HCP3 PGM A 68 2.934 7.546 -4.048 1.00 0.00 H new HETATM 0 HCP2 PGM A 68 2.275 6.806 -5.526 1.00 0.00 H new HETATM 0 HCP1 PGM A 68 1.824 8.471 -5.087 1.00 0.00 H new HETATM 0 HCO2 PGM A 68 0.019 6.929 -4.564 1.00 0.00 H new HETATM 0 HCO1 PGM A 68 0.668 7.658 -3.109 1.00 0.00 H new HETATM 0 HCN2 PGM A 68 2.138 5.303 -3.495 1.00 0.00 H new HETATM 0 HCN1 PGM A 68 0.476 4.888 -3.866 1.00 0.00 H new HETATM 0 HCM2 PGM A 68 -0.132 4.940 -1.744 1.00 0.00 H new HETATM 0 HCM1 PGM A 68 0.647 6.485 -1.464 1.00 0.00 H new HETATM 0 HCL2 PGM A 68 2.086 5.428 -0.188 1.00 0.00 H new HETATM 0 HCL1 PGM A 68 2.771 4.743 -1.648 1.00 0.00 H new HETATM 0 HCK2 PGM A 68 1.690 2.723 -1.381 1.00 0.00 H new HETATM 0 HCK1 PGM A 68 0.443 3.400 -0.353 1.00 0.00 H new HETATM 0 HCJ2 PGM A 68 1.927 3.559 1.493 1.00 0.00 H new HETATM 0 HCJ1 PGM A 68 3.316 3.185 0.492 1.00 0.00 H new HETATM 0 HCI2 PGM A 68 3.100 1.092 1.106 1.00 0.00 H new HETATM 0 HCI1 PGM A 68 1.652 1.013 0.122 1.00 0.00 H new HETATM 0 HCH2 PGM A 68 0.978 2.194 2.623 1.00 0.00 H new HETATM 0 HCH1 PGM A 68 1.930 0.755 2.929 1.00 0.00 H new HETATM 0 HCG2 PGM A 68 0.339 -0.387 1.253 1.00 0.00 H new HETATM 0 HCG1 PGM A 68 -0.688 1.011 1.506 1.00 0.00 H new HETATM 0 HCF2 PGM A 68 -0.386 0.452 4.033 1.00 0.00 H new HETATM 0 HCF1 PGM A 68 0.117 -1.121 3.447 1.00 0.00 H new HETATM 0 HCE2 PGM A 68 -2.082 -1.079 2.090 1.00 0.00 H new HETATM 0 HCE1 PGM A 68 -2.548 0.227 3.162 1.00 0.00 H new HETATM 0 HCD2 PGM A 68 -1.490 -1.967 4.694 1.00 0.00 H new HETATM 0 HCD1 PGM A 68 -2.730 -2.547 3.599 1.00 0.00 H new HETATM 0 HCC2 PGM A 68 -4.237 -1.874 5.068 1.00 0.00 H new HETATM 0 HCC1 PGM A 68 -3.826 -0.225 4.642 1.00 0.00 H new HETATM 0 HCB2 PGM A 68 -2.503 0.086 6.497 1.00 0.00 H new HETATM 0 HCB1 PGM A 68 -2.168 -1.624 6.687 1.00 0.00 H new HETATM 0 HC92 PGM A 68 -5.402 -3.058 7.312 1.00 0.00 H new HETATM 0 HC91 PGM A 68 -5.959 -2.440 8.855 1.00 0.00 H new HETATM 0 HC72 PGM A 68 -6.238 -5.163 9.826 1.00 0.00 H new HETATM 0 HC71 PGM A 68 -6.087 -3.518 10.411 1.00 0.00 H new HETATM 0 HC32 PGM A 68 -5.948 -6.585 14.902 1.00 0.00 H new HETATM 0 HC31 PGM A 68 -4.391 -6.234 15.627 1.00 0.00 H new HETATM 0 HC12 PGM A 68 -4.470 -8.069 16.787 1.00 0.00 H new HETATM 0 HC11 PGM A 68 -3.854 -9.548 16.077 1.00 0.00 H new HETATM 0 HO8 PGM A 68 -3.924 -4.727 7.283 1.00 0.00 H new HETATM 0 HO2 PGM A 68 -2.953 -7.425 13.712 1.00 0.00 H new HETATM 0 HO1 PGM A 68 -5.982 -9.820 16.954 1.00 0.00 H new HETATM 0 HC8 PGM A 68 -3.695 -3.956 9.442 1.00 0.00 H new HETATM 0 HC2 PGM A 68 -5.209 -8.597 13.994 1.00 0.00 H new