USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 552 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 4 TYR OH : rot -29:sc= 1.28 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc=-0.00747 USER MOD Single : A 15 SER OG : rot 180:sc= -0.121 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 1.08 K(o=1.1,f=-2.4!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HE2:sc= -0.0042 K(o=-0.0042,f=-2.3) USER MOD Single : A 34 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0381) USER MOD Single : A 35 ASN : amide:sc= 0.663 K(o=0.66,f=-0.66) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.772) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 158:sc= 0.55 USER MOD Single : A 55 SER OG : rot -77:sc= 1.29 USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= 1.26 (180deg=1.21) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 47 N ASP A 3 9.693 -0.524 1.028 1.00 0.00 N ATOM 48 CA ASP A 3 9.132 0.373 0.027 1.00 0.00 C ATOM 49 C ASP A 3 7.733 0.743 0.527 1.00 0.00 C ATOM 50 O ASP A 3 7.609 1.769 1.178 1.00 0.00 O ATOM 51 CB ASP A 3 9.202 -0.155 -1.418 1.00 0.00 C ATOM 52 CG ASP A 3 8.535 0.779 -2.432 1.00 0.00 C ATOM 53 OD1 ASP A 3 7.307 1.007 -2.396 1.00 0.00 O ATOM 54 OD2 ASP A 3 9.271 1.321 -3.285 1.00 0.00 O ATOM 0 HA ASP A 3 9.739 1.274 -0.068 1.00 0.00 H new ATOM 0 HB2 ASP A 3 10.246 -0.297 -1.696 1.00 0.00 H new ATOM 0 HB3 ASP A 3 8.724 -1.133 -1.465 1.00 0.00 H new ATOM 59 N TYR A 4 6.721 -0.094 0.280 1.00 0.00 N ATOM 60 CA TYR A 4 5.266 0.089 0.412 1.00 0.00 C ATOM 61 C TYR A 4 4.590 -0.691 -0.721 1.00 0.00 C ATOM 62 O TYR A 4 3.557 -1.318 -0.495 1.00 0.00 O ATOM 63 CB TYR A 4 4.806 1.558 0.402 1.00 0.00 C ATOM 64 CG TYR A 4 4.888 2.362 1.698 1.00 0.00 C ATOM 65 CD1 TYR A 4 4.961 1.764 2.978 1.00 0.00 C ATOM 66 CD2 TYR A 4 4.886 3.765 1.605 1.00 0.00 C ATOM 67 CE1 TYR A 4 4.964 2.555 4.141 1.00 0.00 C ATOM 68 CE2 TYR A 4 4.924 4.561 2.760 1.00 0.00 C ATOM 69 CZ TYR A 4 4.933 3.963 4.037 1.00 0.00 C ATOM 70 OH TYR A 4 4.919 4.747 5.147 1.00 0.00 O ATOM 0 H TYR A 4 6.925 -1.034 -0.060 1.00 0.00 H new ATOM 0 HA TYR A 4 4.975 -0.288 1.392 1.00 0.00 H new ATOM 0 HB2 TYR A 4 5.394 2.083 -0.350 1.00 0.00 H new ATOM 0 HB3 TYR A 4 3.769 1.577 0.066 1.00 0.00 H new ATOM 0 HD1 TYR A 4 5.015 0.689 3.063 1.00 0.00 H new ATOM 0 HD2 TYR A 4 4.855 4.235 0.633 1.00 0.00 H new ATOM 0 HE1 TYR A 4 4.990 2.086 5.113 1.00 0.00 H new ATOM 0 HE2 TYR A 4 4.946 5.637 2.670 1.00 0.00 H new ATOM 0 HH TYR A 4 4.483 4.267 5.881 1.00 0.00 H new ATOM 80 N TYR A 5 5.203 -0.723 -1.913 1.00 0.00 N ATOM 81 CA TYR A 5 4.805 -1.523 -3.060 1.00 0.00 C ATOM 82 C TYR A 5 4.593 -2.974 -2.632 1.00 0.00 C ATOM 83 O TYR A 5 3.466 -3.471 -2.693 1.00 0.00 O ATOM 84 CB TYR A 5 5.882 -1.426 -4.164 1.00 0.00 C ATOM 85 CG TYR A 5 5.792 -0.306 -5.188 1.00 0.00 C ATOM 86 CD1 TYR A 5 4.546 0.169 -5.643 1.00 0.00 C ATOM 87 CD2 TYR A 5 6.974 0.193 -5.774 1.00 0.00 C ATOM 88 CE1 TYR A 5 4.477 1.169 -6.627 1.00 0.00 C ATOM 89 CE2 TYR A 5 6.911 1.156 -6.798 1.00 0.00 C ATOM 90 CZ TYR A 5 5.657 1.638 -7.236 1.00 0.00 C ATOM 91 OH TYR A 5 5.596 2.523 -8.262 1.00 0.00 O ATOM 0 H TYR A 5 6.031 -0.159 -2.104 1.00 0.00 H new ATOM 0 HA TYR A 5 3.865 -1.143 -3.461 1.00 0.00 H new ATOM 0 HB2 TYR A 5 6.851 -1.344 -3.672 1.00 0.00 H new ATOM 0 HB3 TYR A 5 5.880 -2.370 -4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 5 3.635 -0.240 -5.231 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.934 -0.167 -5.434 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.520 1.578 -6.916 1.00 0.00 H new ATOM 0 HE2 TYR A 5 7.820 1.526 -7.249 1.00 0.00 H new ATOM 0 HH TYR A 5 6.504 2.740 -8.561 1.00 0.00 H new ATOM 101 N GLN A 6 5.658 -3.644 -2.175 1.00 0.00 N ATOM 102 CA GLN A 6 5.580 -5.050 -1.802 1.00 0.00 C ATOM 103 C GLN A 6 4.742 -5.244 -0.541 1.00 0.00 C ATOM 104 O GLN A 6 4.181 -6.320 -0.354 1.00 0.00 O ATOM 105 CB GLN A 6 6.981 -5.642 -1.627 1.00 0.00 C ATOM 106 CG GLN A 6 6.972 -7.170 -1.817 1.00 0.00 C ATOM 107 CD GLN A 6 8.376 -7.761 -1.738 1.00 0.00 C ATOM 108 OE1 GLN A 6 8.959 -7.857 -0.663 1.00 0.00 O ATOM 109 NE2 GLN A 6 8.955 -8.149 -2.859 1.00 0.00 N ATOM 0 H GLN A 6 6.582 -3.229 -2.057 1.00 0.00 H new ATOM 0 HA GLN A 6 5.083 -5.584 -2.612 1.00 0.00 H new ATOM 0 HB2 GLN A 6 7.662 -5.188 -2.347 1.00 0.00 H new ATOM 0 HB3 GLN A 6 7.359 -5.399 -0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 6 6.342 -7.627 -1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 6 6.530 -7.413 -2.783 1.00 0.00 H new ATOM 0 HE21 GLN A 6 8.458 -8.063 -3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 6 9.899 -8.535 -2.838 1.00 0.00 H new ATOM 118 N THR A 7 4.578 -4.206 0.279 1.00 0.00 N ATOM 119 CA THR A 7 3.733 -4.288 1.461 1.00 0.00 C ATOM 120 C THR A 7 2.271 -4.528 1.044 1.00 0.00 C ATOM 121 O THR A 7 1.517 -5.188 1.757 1.00 0.00 O ATOM 122 CB THR A 7 3.878 -3.008 2.296 1.00 0.00 C ATOM 123 OG1 THR A 7 5.232 -2.607 2.404 1.00 0.00 O ATOM 124 CG2 THR A 7 3.388 -3.250 3.723 1.00 0.00 C ATOM 0 H THR A 7 5.022 -3.298 0.142 1.00 0.00 H new ATOM 0 HA THR A 7 4.048 -5.129 2.079 1.00 0.00 H new ATOM 0 HB THR A 7 3.292 -2.240 1.791 1.00 0.00 H new ATOM 0 HG1 THR A 7 5.289 -1.789 2.940 1.00 0.00 H new ATOM 0 HG21 THR A 7 3.496 -2.335 4.305 1.00 0.00 H new ATOM 0 HG22 THR A 7 2.339 -3.545 3.702 1.00 0.00 H new ATOM 0 HG23 THR A 7 3.979 -4.043 4.181 1.00 0.00 H new ATOM 132 N LEU A 8 1.899 -4.100 -0.164 1.00 0.00 N ATOM 133 CA LEU A 8 0.615 -4.351 -0.814 1.00 0.00 C ATOM 134 C LEU A 8 0.757 -5.380 -1.946 1.00 0.00 C ATOM 135 O LEU A 8 -0.199 -5.624 -2.677 1.00 0.00 O ATOM 136 CB LEU A 8 0.051 -3.005 -1.300 1.00 0.00 C ATOM 137 CG LEU A 8 -1.476 -2.987 -1.504 1.00 0.00 C ATOM 138 CD1 LEU A 8 -2.189 -2.855 -0.155 1.00 0.00 C ATOM 139 CD2 LEU A 8 -1.907 -1.812 -2.384 1.00 0.00 C ATOM 0 H LEU A 8 2.521 -3.538 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 8 -0.089 -4.790 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.317 -2.232 -0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.534 -2.742 -2.241 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.747 -3.924 -1.991 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.267 -2.843 -0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.924 -3.700 0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.883 -1.927 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.990 -1.828 -2.508 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.610 -0.876 -1.912 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.429 -1.894 -3.360 1.00 0.00 H new ATOM 151 N GLY A 9 1.919 -6.018 -2.078 1.00 0.00 N ATOM 152 CA GLY A 9 2.171 -7.160 -2.940 1.00 0.00 C ATOM 153 C GLY A 9 2.687 -6.814 -4.337 1.00 0.00 C ATOM 154 O GLY A 9 2.909 -7.744 -5.112 1.00 0.00 O ATOM 0 H GLY A 9 2.749 -5.734 -1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 9 2.896 -7.811 -2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 9 1.248 -7.731 -3.041 1.00 0.00 H new ATOM 158 N LEU A 10 2.886 -5.540 -4.688 1.00 0.00 N ATOM 159 CA LEU A 10 3.248 -5.116 -6.050 1.00 0.00 C ATOM 160 C LEU A 10 4.724 -4.724 -6.131 1.00 0.00 C ATOM 161 O LEU A 10 5.393 -4.687 -5.101 1.00 0.00 O ATOM 162 CB LEU A 10 2.415 -3.907 -6.488 1.00 0.00 C ATOM 163 CG LEU A 10 0.896 -4.081 -6.328 1.00 0.00 C ATOM 164 CD1 LEU A 10 0.395 -3.081 -5.286 1.00 0.00 C ATOM 165 CD2 LEU A 10 0.196 -3.857 -7.664 1.00 0.00 C ATOM 0 H LEU A 10 2.800 -4.765 -4.031 1.00 0.00 H new ATOM 0 HA LEU A 10 3.052 -5.964 -6.707 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.730 -3.038 -5.911 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.634 -3.692 -7.534 1.00 0.00 H new ATOM 0 HG LEU A 10 0.673 -5.095 -5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.682 -3.193 -5.162 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.891 -3.268 -4.334 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.618 -2.067 -5.618 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -0.879 -3.983 -7.537 1.00 0.00 H new ATOM 0 HD22 LEU A 10 0.404 -2.847 -8.019 1.00 0.00 H new ATOM 0 HD23 LEU A 10 0.563 -4.580 -8.393 1.00 0.00 H new ATOM 177 N ALA A 11 5.199 -4.347 -7.328 1.00 0.00 N ATOM 178 CA ALA A 11 6.398 -3.542 -7.588 1.00 0.00 C ATOM 179 C ALA A 11 6.561 -3.271 -9.086 1.00 0.00 C ATOM 180 O ALA A 11 5.960 -3.966 -9.907 1.00 0.00 O ATOM 181 CB ALA A 11 7.663 -4.278 -7.149 1.00 0.00 C ATOM 0 H ALA A 11 4.726 -4.613 -8.192 1.00 0.00 H new ATOM 0 HA ALA A 11 6.271 -2.615 -7.029 1.00 0.00 H new ATOM 0 HB1 ALA A 11 8.535 -3.657 -7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.610 -4.487 -6.081 1.00 0.00 H new ATOM 0 HB3 ALA A 11 7.748 -5.215 -7.699 1.00 0.00 H new ATOM 187 N ARG A 12 7.480 -2.349 -9.414 1.00 0.00 N ATOM 188 CA ARG A 12 8.158 -2.165 -10.708 1.00 0.00 C ATOM 189 C ARG A 12 7.246 -2.495 -11.887 1.00 0.00 C ATOM 190 O ARG A 12 7.459 -3.443 -12.642 1.00 0.00 O ATOM 191 CB ARG A 12 9.498 -2.938 -10.707 1.00 0.00 C ATOM 192 CG ARG A 12 10.691 -2.121 -10.181 1.00 0.00 C ATOM 193 CD ARG A 12 10.422 -1.333 -8.896 1.00 0.00 C ATOM 194 NE ARG A 12 11.670 -0.799 -8.340 1.00 0.00 N ATOM 195 CZ ARG A 12 12.049 0.474 -8.197 1.00 0.00 C ATOM 196 NH1 ARG A 12 11.320 1.477 -8.681 1.00 0.00 N ATOM 197 NH2 ARG A 12 13.177 0.729 -7.548 1.00 0.00 N ATOM 0 H ARG A 12 7.792 -1.660 -8.730 1.00 0.00 H new ATOM 0 HA ARG A 12 8.398 -1.110 -10.842 1.00 0.00 H new ATOM 0 HB2 ARG A 12 9.388 -3.835 -10.097 1.00 0.00 H new ATOM 0 HB3 ARG A 12 9.716 -3.268 -11.723 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.526 -2.799 -10.005 1.00 0.00 H new ATOM 0 HG3 ARG A 12 11.005 -1.423 -10.958 1.00 0.00 H new ATOM 0 HD2 ARG A 12 9.732 -0.515 -9.104 1.00 0.00 H new ATOM 0 HD3 ARG A 12 9.939 -1.979 -8.163 1.00 0.00 H new ATOM 0 HE ARG A 12 12.341 -1.496 -8.018 1.00 0.00 H new ATOM 0 HH11 ARG A 12 10.449 1.282 -9.175 1.00 0.00 H new ATOM 0 HH12 ARG A 12 11.632 2.440 -8.558 1.00 0.00 H new ATOM 0 HH21 ARG A 12 13.733 -0.038 -7.171 1.00 0.00 H new ATOM 0 HH22 ARG A 12 13.488 1.693 -7.425 1.00 0.00 H new ATOM 211 N GLY A 13 6.176 -1.726 -11.974 1.00 0.00 N ATOM 212 CA GLY A 13 5.049 -1.959 -12.862 1.00 0.00 C ATOM 213 C GLY A 13 3.735 -2.005 -12.084 1.00 0.00 C ATOM 214 O GLY A 13 2.759 -2.586 -12.557 1.00 0.00 O ATOM 0 H GLY A 13 6.063 -0.887 -11.405 1.00 0.00 H new ATOM 0 HA2 GLY A 13 5.004 -1.169 -13.612 1.00 0.00 H new ATOM 0 HA3 GLY A 13 5.192 -2.898 -13.397 1.00 0.00 H new ATOM 218 N ALA A 14 3.709 -1.454 -10.868 1.00 0.00 N ATOM 219 CA ALA A 14 2.503 -1.271 -10.088 1.00 0.00 C ATOM 220 C ALA A 14 1.759 -0.066 -10.669 1.00 0.00 C ATOM 221 O ALA A 14 1.904 1.055 -10.170 1.00 0.00 O ATOM 222 CB ALA A 14 2.906 -1.050 -8.629 1.00 0.00 C ATOM 0 H ALA A 14 4.549 -1.119 -10.396 1.00 0.00 H new ATOM 0 HA ALA A 14 1.845 -2.139 -10.126 1.00 0.00 H new ATOM 0 HB1 ALA A 14 2.012 -0.910 -8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.457 -1.919 -8.268 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.537 -0.164 -8.556 1.00 0.00 H new ATOM 228 N SER A 15 1.017 -0.281 -11.751 1.00 0.00 N ATOM 229 CA SER A 15 0.134 0.729 -12.300 1.00 0.00 C ATOM 230 C SER A 15 -0.989 1.032 -11.328 1.00 0.00 C ATOM 231 O SER A 15 -1.308 0.262 -10.420 1.00 0.00 O ATOM 232 CB SER A 15 -0.372 0.294 -13.686 1.00 0.00 C ATOM 233 OG SER A 15 -0.762 -1.066 -13.676 1.00 0.00 O ATOM 0 H SER A 15 1.015 -1.161 -12.267 1.00 0.00 H new ATOM 0 HA SER A 15 0.684 1.659 -12.442 1.00 0.00 H new ATOM 0 HB2 SER A 15 -1.216 0.917 -13.981 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.412 0.447 -14.428 1.00 0.00 H new ATOM 0 HG SER A 15 -1.082 -1.321 -14.566 1.00 0.00 H new ATOM 239 N ASP A 16 -1.607 2.177 -11.570 1.00 0.00 N ATOM 240 CA ASP A 16 -2.743 2.710 -10.851 1.00 0.00 C ATOM 241 C ASP A 16 -3.857 1.679 -10.708 1.00 0.00 C ATOM 242 O ASP A 16 -4.390 1.505 -9.613 1.00 0.00 O ATOM 243 CB ASP A 16 -3.245 3.976 -11.566 1.00 0.00 C ATOM 244 CG ASP A 16 -3.400 3.733 -13.071 1.00 0.00 C ATOM 245 OD1 ASP A 16 -2.388 3.890 -13.794 1.00 0.00 O ATOM 246 OD2 ASP A 16 -4.469 3.269 -13.517 1.00 0.00 O ATOM 0 H ASP A 16 -1.306 2.795 -12.323 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.427 2.968 -9.840 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.202 4.281 -11.143 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.546 4.795 -11.397 1.00 0.00 H new ATOM 251 N GLU A 17 -4.198 0.949 -11.769 1.00 0.00 N ATOM 252 CA GLU A 17 -5.263 -0.038 -11.705 1.00 0.00 C ATOM 253 C GLU A 17 -4.807 -1.251 -10.906 1.00 0.00 C ATOM 254 O GLU A 17 -5.619 -1.894 -10.252 1.00 0.00 O ATOM 255 CB GLU A 17 -5.669 -0.469 -13.117 1.00 0.00 C ATOM 256 CG GLU A 17 -7.039 -1.163 -13.113 1.00 0.00 C ATOM 257 CD GLU A 17 -8.148 -0.185 -13.475 1.00 0.00 C ATOM 258 OE1 GLU A 17 -8.552 0.650 -12.635 1.00 0.00 O ATOM 259 OE2 GLU A 17 -8.640 -0.245 -14.627 1.00 0.00 O ATOM 0 H GLU A 17 -3.749 1.026 -12.682 1.00 0.00 H new ATOM 0 HA GLU A 17 -6.124 0.410 -11.209 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -5.702 0.402 -13.771 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.917 -1.145 -13.524 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -7.033 -1.990 -13.822 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -7.232 -1.589 -12.128 1.00 0.00 H new ATOM 266 N GLU A 18 -3.515 -1.572 -10.926 1.00 0.00 N ATOM 267 CA GLU A 18 -3.007 -2.790 -10.333 1.00 0.00 C ATOM 268 C GLU A 18 -2.961 -2.535 -8.827 1.00 0.00 C ATOM 269 O GLU A 18 -3.310 -3.420 -8.043 1.00 0.00 O ATOM 270 CB GLU A 18 -1.623 -3.086 -10.931 1.00 0.00 C ATOM 271 CG GLU A 18 -1.543 -4.475 -11.581 1.00 0.00 C ATOM 272 CD GLU A 18 -1.783 -5.623 -10.606 1.00 0.00 C ATOM 273 OE1 GLU A 18 -0.828 -6.066 -9.938 1.00 0.00 O ATOM 274 OE2 GLU A 18 -2.920 -6.149 -10.507 1.00 0.00 O ATOM 0 H GLU A 18 -2.797 -0.989 -11.356 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.628 -3.664 -10.533 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -1.383 -2.327 -11.675 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.870 -3.012 -10.147 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -2.277 -4.533 -12.385 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.561 -4.597 -12.037 1.00 0.00 H new ATOM 281 N ILE A 19 -2.632 -1.296 -8.440 1.00 0.00 N ATOM 282 CA ILE A 19 -2.834 -0.734 -7.123 1.00 0.00 C ATOM 283 C ILE A 19 -4.318 -0.840 -6.773 1.00 0.00 C ATOM 284 O ILE A 19 -4.651 -1.554 -5.838 1.00 0.00 O ATOM 285 CB ILE A 19 -2.249 0.696 -7.048 1.00 0.00 C ATOM 286 CG1 ILE A 19 -0.712 0.568 -6.965 1.00 0.00 C ATOM 287 CG2 ILE A 19 -2.801 1.509 -5.860 1.00 0.00 C ATOM 288 CD1 ILE A 19 0.019 1.908 -6.920 1.00 0.00 C ATOM 0 H ILE A 19 -2.195 -0.633 -9.081 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.290 -1.294 -6.363 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.547 1.248 -7.940 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.453 -0.006 -6.076 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.357 0.001 -7.825 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.354 2.503 -5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.883 1.598 -5.952 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.556 1.001 -4.927 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.094 1.735 -6.862 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.209 2.477 -7.821 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -0.305 2.470 -6.044 1.00 0.00 H new ATOM 300 N LYS A 20 -5.228 -0.165 -7.480 1.00 0.00 N ATOM 301 CA LYS A 20 -6.656 -0.120 -7.140 1.00 0.00 C ATOM 302 C LYS A 20 -7.297 -1.513 -7.097 1.00 0.00 C ATOM 303 O LYS A 20 -8.287 -1.702 -6.386 1.00 0.00 O ATOM 304 CB LYS A 20 -7.370 0.813 -8.134 1.00 0.00 C ATOM 305 CG LYS A 20 -7.076 2.298 -7.833 1.00 0.00 C ATOM 306 CD LYS A 20 -7.161 3.218 -9.063 1.00 0.00 C ATOM 307 CE LYS A 20 -8.484 3.078 -9.822 1.00 0.00 C ATOM 308 NZ LYS A 20 -8.502 3.914 -11.038 1.00 0.00 N ATOM 0 H LYS A 20 -4.993 0.372 -8.315 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.764 0.275 -6.130 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -7.050 0.577 -9.149 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -8.445 0.638 -8.090 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.780 2.651 -7.080 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.079 2.379 -7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.038 4.253 -8.745 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.335 2.992 -9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.639 2.034 -10.095 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.310 3.364 -9.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -9.412 3.795 -11.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.378 4.912 -10.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.728 3.624 -11.670 1.00 0.00 H new ATOM 322 N ARG A 21 -6.746 -2.503 -7.800 1.00 0.00 N ATOM 323 CA ARG A 21 -7.099 -3.913 -7.679 1.00 0.00 C ATOM 324 C ARG A 21 -6.525 -4.484 -6.387 1.00 0.00 C ATOM 325 O ARG A 21 -7.256 -5.083 -5.602 1.00 0.00 O ATOM 326 CB ARG A 21 -6.570 -4.656 -8.919 1.00 0.00 C ATOM 327 CG ARG A 21 -7.215 -6.034 -9.125 1.00 0.00 C ATOM 328 CD ARG A 21 -8.572 -5.857 -9.813 1.00 0.00 C ATOM 329 NE ARG A 21 -9.331 -7.113 -9.899 1.00 0.00 N ATOM 330 CZ ARG A 21 -10.487 -7.398 -9.286 1.00 0.00 C ATOM 331 NH1 ARG A 21 -11.065 -6.543 -8.447 1.00 0.00 N ATOM 332 NH2 ARG A 21 -11.086 -8.562 -9.511 1.00 0.00 N ATOM 0 H ARG A 21 -6.016 -2.337 -8.493 1.00 0.00 H new ATOM 0 HA ARG A 21 -8.181 -4.036 -7.633 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.748 -4.044 -9.803 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -5.491 -4.778 -8.827 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -6.566 -6.666 -9.732 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.343 -6.536 -8.166 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.159 -5.119 -9.266 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.417 -5.461 -10.817 1.00 0.00 H new ATOM 0 HE ARG A 21 -8.935 -7.845 -10.488 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.627 -5.642 -8.256 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.946 -6.789 -7.995 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -10.665 -9.237 -10.150 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -11.967 -8.781 -9.045 1.00 0.00 H new ATOM 346 N ALA A 22 -5.220 -4.332 -6.174 1.00 0.00 N ATOM 347 CA ALA A 22 -4.485 -4.827 -5.013 1.00 0.00 C ATOM 348 C ALA A 22 -5.097 -4.295 -3.728 1.00 0.00 C ATOM 349 O ALA A 22 -5.566 -5.084 -2.930 1.00 0.00 O ATOM 350 CB ALA A 22 -3.002 -4.462 -5.088 1.00 0.00 C ATOM 0 H ALA A 22 -4.620 -3.839 -6.835 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.560 -5.914 -5.015 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.488 -4.847 -4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -2.564 -4.901 -5.985 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -2.896 -3.378 -5.126 1.00 0.00 H new ATOM 356 N TYR A 23 -5.147 -2.982 -3.526 1.00 0.00 N ATOM 357 CA TYR A 23 -5.733 -2.279 -2.403 1.00 0.00 C ATOM 358 C TYR A 23 -7.142 -2.765 -2.042 1.00 0.00 C ATOM 359 O TYR A 23 -7.448 -2.925 -0.857 1.00 0.00 O ATOM 360 CB TYR A 23 -5.541 -0.777 -2.719 1.00 0.00 C ATOM 361 CG TYR A 23 -6.709 0.151 -2.566 1.00 0.00 C ATOM 362 CD1 TYR A 23 -7.788 -0.027 -3.442 1.00 0.00 C ATOM 363 CD2 TYR A 23 -6.648 1.286 -1.737 1.00 0.00 C ATOM 364 CE1 TYR A 23 -8.870 0.851 -3.428 1.00 0.00 C ATOM 365 CE2 TYR A 23 -7.724 2.187 -1.724 1.00 0.00 C ATOM 366 CZ TYR A 23 -8.836 1.954 -2.563 1.00 0.00 C ATOM 367 OH TYR A 23 -9.912 2.784 -2.554 1.00 0.00 O ATOM 0 H TYR A 23 -4.744 -2.334 -4.203 1.00 0.00 H new ATOM 0 HA TYR A 23 -5.237 -2.494 -1.457 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.739 -0.406 -2.080 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -5.191 -0.699 -3.748 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.781 -0.854 -4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -5.782 1.462 -1.117 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -9.720 0.685 -4.073 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -7.702 3.052 -1.077 1.00 0.00 H new ATOM 0 HH TYR A 23 -9.762 3.508 -1.910 1.00 0.00 H new ATOM 377 N ARG A 24 -7.976 -3.106 -3.027 1.00 0.00 N ATOM 378 CA ARG A 24 -9.340 -3.555 -2.756 1.00 0.00 C ATOM 379 C ARG A 24 -9.452 -5.073 -2.636 1.00 0.00 C ATOM 380 O ARG A 24 -10.543 -5.575 -2.369 1.00 0.00 O ATOM 381 CB ARG A 24 -10.321 -2.913 -3.753 1.00 0.00 C ATOM 382 CG ARG A 24 -11.527 -2.349 -2.984 1.00 0.00 C ATOM 383 CD ARG A 24 -12.425 -1.449 -3.840 1.00 0.00 C ATOM 384 NE ARG A 24 -12.928 -2.118 -5.047 1.00 0.00 N ATOM 385 CZ ARG A 24 -13.861 -3.075 -5.076 1.00 0.00 C ATOM 386 NH1 ARG A 24 -14.449 -3.495 -3.961 1.00 0.00 N ATOM 387 NH2 ARG A 24 -14.193 -3.616 -6.234 1.00 0.00 N ATOM 0 H ARG A 24 -7.730 -3.079 -4.016 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.632 -3.201 -1.767 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.825 -2.117 -4.309 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -10.653 -3.652 -4.482 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -12.120 -3.177 -2.594 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.168 -1.781 -2.125 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.270 -1.112 -3.239 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.866 -0.559 -4.131 1.00 0.00 H new ATOM 0 HE ARG A 24 -12.531 -1.827 -5.940 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -14.191 -3.086 -3.063 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -15.159 -4.226 -4.003 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -13.739 -3.303 -7.092 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -14.903 -4.347 -6.270 1.00 0.00 H new ATOM 401 N ARG A 25 -8.345 -5.812 -2.759 1.00 0.00 N ATOM 402 CA ARG A 25 -8.214 -7.175 -2.256 1.00 0.00 C ATOM 403 C ARG A 25 -7.513 -7.144 -0.898 1.00 0.00 C ATOM 404 O ARG A 25 -8.038 -7.721 0.040 1.00 0.00 O ATOM 405 CB ARG A 25 -7.467 -8.065 -3.267 1.00 0.00 C ATOM 406 CG ARG A 25 -8.270 -8.369 -4.547 1.00 0.00 C ATOM 407 CD ARG A 25 -9.499 -9.250 -4.280 1.00 0.00 C ATOM 408 NE ARG A 25 -10.170 -9.649 -5.529 1.00 0.00 N ATOM 409 CZ ARG A 25 -10.217 -10.867 -6.086 1.00 0.00 C ATOM 410 NH1 ARG A 25 -9.507 -11.884 -5.614 1.00 0.00 N ATOM 411 NH2 ARG A 25 -11.005 -11.067 -7.134 1.00 0.00 N ATOM 0 H ARG A 25 -7.502 -5.470 -3.220 1.00 0.00 H new ATOM 0 HA ARG A 25 -9.204 -7.612 -2.125 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.532 -7.577 -3.544 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -7.204 -9.006 -2.783 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.592 -7.431 -5.000 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -7.621 -8.866 -5.268 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.195 -10.141 -3.731 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.202 -8.710 -3.646 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.659 -8.908 -6.031 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.902 -11.751 -4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.566 -12.799 -6.062 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -11.565 -10.299 -7.505 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -11.051 -11.989 -7.569 1.00 0.00 H new ATOM 425 N GLN A 26 -6.394 -6.438 -0.744 1.00 0.00 N ATOM 426 CA GLN A 26 -5.522 -6.456 0.424 1.00 0.00 C ATOM 427 C GLN A 26 -6.207 -5.921 1.674 1.00 0.00 C ATOM 428 O GLN A 26 -6.086 -6.544 2.727 1.00 0.00 O ATOM 429 CB GLN A 26 -4.236 -5.664 0.118 1.00 0.00 C ATOM 430 CG GLN A 26 -3.037 -6.562 -0.231 1.00 0.00 C ATOM 431 CD GLN A 26 -3.244 -7.461 -1.452 1.00 0.00 C ATOM 432 OE1 GLN A 26 -4.133 -8.309 -1.476 1.00 0.00 O ATOM 433 NE2 GLN A 26 -2.422 -7.329 -2.477 1.00 0.00 N ATOM 0 H GLN A 26 -6.056 -5.806 -1.470 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.269 -7.495 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.425 -4.984 -0.712 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -3.982 -5.050 0.982 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.166 -5.930 -0.406 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -2.808 -7.189 0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.686 -6.624 -2.453 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -2.524 -7.932 -3.293 1.00 0.00 H new ATOM 442 N ALA A 27 -6.951 -4.813 1.582 1.00 0.00 N ATOM 443 CA ALA A 27 -7.741 -4.388 2.732 1.00 0.00 C ATOM 444 C ALA A 27 -8.730 -5.488 3.089 1.00 0.00 C ATOM 445 O ALA A 27 -8.850 -5.860 4.246 1.00 0.00 O ATOM 446 CB ALA A 27 -8.490 -3.087 2.455 1.00 0.00 C ATOM 0 H ALA A 27 -7.020 -4.218 0.756 1.00 0.00 H new ATOM 0 HA ALA A 27 -7.062 -4.204 3.565 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -9.066 -2.804 3.336 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -7.775 -2.298 2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -9.164 -3.228 1.610 1.00 0.00 H new ATOM 452 N LEU A 28 -9.441 -6.013 2.092 1.00 0.00 N ATOM 453 CA LEU A 28 -10.551 -6.935 2.249 1.00 0.00 C ATOM 454 C LEU A 28 -10.065 -8.261 2.848 1.00 0.00 C ATOM 455 O LEU A 28 -10.768 -8.884 3.643 1.00 0.00 O ATOM 456 CB LEU A 28 -11.157 -7.138 0.847 1.00 0.00 C ATOM 457 CG LEU A 28 -12.571 -6.552 0.742 1.00 0.00 C ATOM 458 CD1 LEU A 28 -12.483 -5.021 0.708 1.00 0.00 C ATOM 459 CD2 LEU A 28 -13.264 -7.056 -0.520 1.00 0.00 C ATOM 0 H LEU A 28 -9.247 -5.795 1.115 1.00 0.00 H new ATOM 0 HA LEU A 28 -11.302 -6.541 2.934 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.514 -6.669 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -11.188 -8.203 0.616 1.00 0.00 H new ATOM 0 HG LEU A 28 -13.153 -6.869 1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -13.486 -4.600 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -12.007 -4.664 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -11.894 -4.709 -0.155 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -14.266 -6.631 -0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -12.689 -6.754 -1.396 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -13.333 -8.143 -0.488 1.00 0.00 H new ATOM 471 N ARG A 29 -8.858 -8.681 2.469 1.00 0.00 N ATOM 472 CA ARG A 29 -8.123 -9.846 2.925 1.00 0.00 C ATOM 473 C ARG A 29 -7.908 -9.767 4.424 1.00 0.00 C ATOM 474 O ARG A 29 -8.271 -10.699 5.130 1.00 0.00 O ATOM 475 CB ARG A 29 -6.804 -9.882 2.128 1.00 0.00 C ATOM 476 CG ARG A 29 -5.730 -10.876 2.590 1.00 0.00 C ATOM 477 CD ARG A 29 -6.198 -12.322 2.726 1.00 0.00 C ATOM 478 NE ARG A 29 -6.965 -12.754 1.550 1.00 0.00 N ATOM 479 CZ ARG A 29 -8.039 -13.544 1.586 1.00 0.00 C ATOM 480 NH1 ARG A 29 -8.371 -14.193 2.699 1.00 0.00 N ATOM 481 NH2 ARG A 29 -8.794 -13.646 0.502 1.00 0.00 N ATOM 0 H ARG A 29 -8.327 -8.162 1.770 1.00 0.00 H new ATOM 0 HA ARG A 29 -8.670 -10.772 2.750 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -7.044 -10.104 1.088 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -6.370 -8.882 2.149 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -4.901 -10.844 1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.341 -10.545 3.553 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.334 -12.974 2.858 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -6.813 -12.424 3.620 1.00 0.00 H new ATOM 0 HE ARG A 29 -6.652 -12.425 0.637 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -7.801 -14.090 3.539 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -9.195 -14.794 2.712 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -8.550 -13.125 -0.340 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -9.619 -14.245 0.510 1.00 0.00 H new ATOM 495 N TYR A 30 -7.306 -8.688 4.913 1.00 0.00 N ATOM 496 CA TYR A 30 -6.971 -8.571 6.326 1.00 0.00 C ATOM 497 C TYR A 30 -8.096 -7.951 7.152 1.00 0.00 C ATOM 498 O TYR A 30 -7.961 -7.913 8.372 1.00 0.00 O ATOM 499 CB TYR A 30 -5.687 -7.749 6.465 1.00 0.00 C ATOM 500 CG TYR A 30 -4.430 -8.498 6.082 1.00 0.00 C ATOM 501 CD1 TYR A 30 -4.041 -8.572 4.734 1.00 0.00 C ATOM 502 CD2 TYR A 30 -3.645 -9.116 7.072 1.00 0.00 C ATOM 503 CE1 TYR A 30 -2.869 -9.249 4.368 1.00 0.00 C ATOM 504 CE2 TYR A 30 -2.472 -9.802 6.712 1.00 0.00 C ATOM 505 CZ TYR A 30 -2.071 -9.855 5.357 1.00 0.00 C ATOM 506 OH TYR A 30 -0.916 -10.466 4.989 1.00 0.00 O ATOM 0 H TYR A 30 -7.040 -7.881 4.349 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.822 -9.576 6.720 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -5.770 -6.858 5.843 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.595 -7.410 7.497 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.649 -8.104 3.974 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -3.943 -9.064 8.109 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -2.579 -9.306 3.329 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -1.877 -10.289 7.471 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.475 -10.836 5.782 1.00 0.00 H new ATOM 516 N HIS A 31 -9.175 -7.465 6.522 1.00 0.00 N ATOM 517 CA HIS A 31 -10.101 -6.520 7.117 1.00 0.00 C ATOM 518 C HIS A 31 -10.603 -7.093 8.443 1.00 0.00 C ATOM 519 O HIS A 31 -11.185 -8.190 8.452 1.00 0.00 O ATOM 520 CB HIS A 31 -11.267 -6.234 6.164 1.00 0.00 C ATOM 521 CG HIS A 31 -11.621 -4.779 6.011 1.00 0.00 C ATOM 522 ND1 HIS A 31 -12.304 -4.006 6.916 1.00 0.00 N ATOM 523 CD2 HIS A 31 -11.460 -4.031 4.882 1.00 0.00 C ATOM 524 CE1 HIS A 31 -12.502 -2.799 6.372 1.00 0.00 C ATOM 525 NE2 HIS A 31 -12.009 -2.766 5.116 1.00 0.00 N ATOM 0 H HIS A 31 -9.424 -7.729 5.569 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.593 -5.574 7.303 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.021 -6.638 5.182 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.147 -6.771 6.519 1.00 0.00 H new ATOM 0 HD1 HIS A 31 -12.609 -4.301 7.844 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.990 -4.359 3.966 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -12.987 -1.971 6.867 1.00 0.00 H new ATOM 533 N PRO A 32 -10.400 -6.383 9.559 1.00 0.00 N ATOM 534 CA PRO A 32 -10.567 -6.951 10.883 1.00 0.00 C ATOM 535 C PRO A 32 -12.033 -7.187 11.230 1.00 0.00 C ATOM 536 O PRO A 32 -12.313 -7.831 12.237 1.00 0.00 O ATOM 537 CB PRO A 32 -9.914 -5.940 11.818 1.00 0.00 C ATOM 538 CG PRO A 32 -10.115 -4.610 11.101 1.00 0.00 C ATOM 539 CD PRO A 32 -9.910 -5.019 9.650 1.00 0.00 C ATOM 0 HA PRO A 32 -10.109 -7.937 10.962 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -10.384 -5.941 12.801 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -8.857 -6.158 11.970 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -11.108 -4.195 11.275 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -9.395 -3.857 11.422 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -10.456 -4.360 8.975 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -8.858 -4.960 9.370 1.00 0.00 H new ATOM 547 N ASP A 33 -12.959 -6.691 10.406 1.00 0.00 N ATOM 548 CA ASP A 33 -14.393 -6.909 10.506 1.00 0.00 C ATOM 549 C ASP A 33 -14.874 -7.944 9.473 1.00 0.00 C ATOM 550 O ASP A 33 -15.866 -8.636 9.718 1.00 0.00 O ATOM 551 CB ASP A 33 -15.117 -5.561 10.329 1.00 0.00 C ATOM 552 CG ASP A 33 -15.453 -5.289 8.872 1.00 0.00 C ATOM 553 OD1 ASP A 33 -14.505 -4.980 8.122 1.00 0.00 O ATOM 554 OD2 ASP A 33 -16.630 -5.435 8.474 1.00 0.00 O ATOM 0 H ASP A 33 -12.711 -6.098 9.614 1.00 0.00 H new ATOM 0 HA ASP A 33 -14.628 -7.315 11.490 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -16.033 -5.560 10.920 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -14.489 -4.758 10.713 1.00 0.00 H new ATOM 559 N LYS A 34 -14.205 -8.076 8.316 1.00 0.00 N ATOM 560 CA LYS A 34 -14.741 -8.882 7.212 1.00 0.00 C ATOM 561 C LYS A 34 -14.167 -10.291 7.354 1.00 0.00 C ATOM 562 O LYS A 34 -14.895 -11.264 7.154 1.00 0.00 O ATOM 563 CB LYS A 34 -14.374 -8.292 5.831 1.00 0.00 C ATOM 564 CG LYS A 34 -14.658 -9.281 4.693 1.00 0.00 C ATOM 565 CD LYS A 34 -14.564 -8.642 3.304 1.00 0.00 C ATOM 566 CE LYS A 34 -15.334 -9.458 2.256 1.00 0.00 C ATOM 567 NZ LYS A 34 -14.924 -10.877 2.216 1.00 0.00 N ATOM 0 H LYS A 34 -13.303 -7.640 8.124 1.00 0.00 H new ATOM 0 HA LYS A 34 -15.830 -8.891 7.266 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.941 -7.376 5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.318 -8.020 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -13.951 -10.109 4.754 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -15.655 -9.702 4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -14.962 -7.628 3.341 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -13.518 -8.563 3.009 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.401 -9.399 2.470 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -15.181 -9.013 1.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.389 -11.350 1.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.892 -10.937 2.102 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -15.202 -11.344 3.103 1.00 0.00 H new ATOM 581 N ASN A 35 -12.862 -10.406 7.623 1.00 0.00 N ATOM 582 CA ASN A 35 -12.175 -11.688 7.760 1.00 0.00 C ATOM 583 C ASN A 35 -12.126 -12.096 9.226 1.00 0.00 C ATOM 584 O ASN A 35 -12.313 -13.273 9.541 1.00 0.00 O ATOM 585 CB ASN A 35 -10.741 -11.602 7.214 1.00 0.00 C ATOM 586 CG ASN A 35 -10.085 -12.971 7.043 1.00 0.00 C ATOM 587 OD1 ASN A 35 -10.670 -14.027 7.271 1.00 0.00 O ATOM 588 ND2 ASN A 35 -8.849 -12.968 6.595 1.00 0.00 N ATOM 0 H ASN A 35 -12.249 -9.601 7.753 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.728 -12.431 7.186 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.754 -11.089 6.252 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -10.136 -10.997 7.890 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.363 -13.850 6.432 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.376 -12.084 6.410 1.00 0.00 H new ATOM 595 N LYS A 36 -11.886 -11.122 10.120 1.00 0.00 N ATOM 596 CA LYS A 36 -11.723 -11.327 11.556 1.00 0.00 C ATOM 597 C LYS A 36 -10.642 -12.385 11.795 1.00 0.00 C ATOM 598 O LYS A 36 -10.904 -13.414 12.425 1.00 0.00 O ATOM 599 CB LYS A 36 -13.070 -11.631 12.212 1.00 0.00 C ATOM 600 CG LYS A 36 -14.000 -10.422 12.340 1.00 0.00 C ATOM 601 CD LYS A 36 -15.411 -10.900 12.683 1.00 0.00 C ATOM 602 CE LYS A 36 -16.240 -9.771 13.302 1.00 0.00 C ATOM 603 NZ LYS A 36 -17.645 -10.186 13.488 1.00 0.00 N ATOM 0 H LYS A 36 -11.799 -10.143 9.848 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.374 -10.415 12.041 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -13.576 -12.403 11.633 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.892 -12.043 13.205 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -13.634 -9.748 13.115 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.012 -9.858 11.407 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.904 -11.265 11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -15.356 -11.738 13.378 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -15.811 -9.485 14.263 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -16.199 -8.891 12.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -18.185 -9.403 13.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.058 -10.436 12.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -17.682 -11.011 14.120 1.00 0.00 H new ATOM 617 N GLU A 37 -9.476 -12.177 11.179 1.00 0.00 N ATOM 618 CA GLU A 37 -8.307 -13.046 11.286 1.00 0.00 C ATOM 619 C GLU A 37 -7.692 -12.898 12.707 1.00 0.00 C ATOM 620 O GLU A 37 -8.227 -12.113 13.498 1.00 0.00 O ATOM 621 CB GLU A 37 -7.356 -12.720 10.123 1.00 0.00 C ATOM 622 CG GLU A 37 -7.046 -13.965 9.279 1.00 0.00 C ATOM 623 CD GLU A 37 -5.856 -13.807 8.329 1.00 0.00 C ATOM 624 OE1 GLU A 37 -4.711 -14.151 8.711 1.00 0.00 O ATOM 625 OE2 GLU A 37 -6.059 -13.429 7.153 1.00 0.00 O ATOM 0 H GLU A 37 -9.317 -11.372 10.573 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.557 -14.102 11.188 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -7.804 -11.953 9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.428 -12.306 10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -6.852 -14.803 9.948 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.930 -14.222 8.695 1.00 0.00 H new ATOM 632 N PRO A 38 -6.612 -13.608 13.097 1.00 0.00 N ATOM 633 CA PRO A 38 -6.020 -13.492 14.429 1.00 0.00 C ATOM 634 C PRO A 38 -5.162 -12.216 14.490 1.00 0.00 C ATOM 635 O PRO A 38 -5.499 -11.191 13.894 1.00 0.00 O ATOM 636 CB PRO A 38 -5.266 -14.817 14.626 1.00 0.00 C ATOM 637 CG PRO A 38 -4.738 -15.114 13.228 1.00 0.00 C ATOM 638 CD PRO A 38 -5.862 -14.596 12.329 1.00 0.00 C ATOM 0 HA PRO A 38 -6.729 -13.368 15.248 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.458 -14.719 15.351 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.924 -15.608 14.987 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.795 -14.602 13.034 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.559 -16.179 13.080 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.454 -14.149 11.423 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.512 -15.414 12.016 1.00 0.00 H new ATOM 646 N GLY A 39 -4.012 -12.270 15.160 1.00 0.00 N ATOM 647 CA GLY A 39 -3.022 -11.199 15.256 1.00 0.00 C ATOM 648 C GLY A 39 -2.467 -10.692 13.915 1.00 0.00 C ATOM 649 O GLY A 39 -1.557 -9.863 13.898 1.00 0.00 O ATOM 0 H GLY A 39 -3.732 -13.104 15.676 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.471 -10.358 15.785 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.189 -11.551 15.865 1.00 0.00 H new ATOM 653 N ALA A 40 -3.011 -11.146 12.782 1.00 0.00 N ATOM 654 CA ALA A 40 -2.919 -10.477 11.493 1.00 0.00 C ATOM 655 C ALA A 40 -3.466 -9.040 11.566 1.00 0.00 C ATOM 656 O ALA A 40 -3.161 -8.248 10.682 1.00 0.00 O ATOM 657 CB ALA A 40 -3.712 -11.280 10.459 1.00 0.00 C ATOM 0 H ALA A 40 -3.542 -12.016 12.742 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.869 -10.420 11.204 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.649 -10.787 9.489 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.297 -12.285 10.382 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.755 -11.341 10.768 1.00 0.00 H new ATOM 663 N GLU A 41 -4.229 -8.686 12.609 1.00 0.00 N ATOM 664 CA GLU A 41 -4.635 -7.322 12.963 1.00 0.00 C ATOM 665 C GLU A 41 -3.420 -6.378 13.089 1.00 0.00 C ATOM 666 O GLU A 41 -3.550 -5.170 12.884 1.00 0.00 O ATOM 667 CB GLU A 41 -5.433 -7.408 14.281 1.00 0.00 C ATOM 668 CG GLU A 41 -6.070 -6.102 14.803 1.00 0.00 C ATOM 669 CD GLU A 41 -7.516 -5.860 14.351 1.00 0.00 C ATOM 670 OE1 GLU A 41 -8.405 -6.678 14.710 1.00 0.00 O ATOM 671 OE2 GLU A 41 -7.803 -4.794 13.758 1.00 0.00 O ATOM 0 H GLU A 41 -4.597 -9.379 13.260 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.256 -6.897 12.174 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.227 -8.143 14.148 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -4.769 -7.793 15.054 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.043 -6.112 15.893 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -5.458 -5.261 14.477 1.00 0.00 H new ATOM 678 N GLU A 42 -2.223 -6.894 13.390 1.00 0.00 N ATOM 679 CA GLU A 42 -1.010 -6.077 13.393 1.00 0.00 C ATOM 680 C GLU A 42 -0.396 -5.997 11.991 1.00 0.00 C ATOM 681 O GLU A 42 -0.009 -4.927 11.529 1.00 0.00 O ATOM 682 CB GLU A 42 -0.015 -6.600 14.437 1.00 0.00 C ATOM 683 CG GLU A 42 0.978 -5.503 14.837 1.00 0.00 C ATOM 684 CD GLU A 42 0.365 -4.553 15.862 1.00 0.00 C ATOM 685 OE1 GLU A 42 -0.532 -3.752 15.512 1.00 0.00 O ATOM 686 OE2 GLU A 42 0.748 -4.646 17.046 1.00 0.00 O ATOM 0 H GLU A 42 -2.071 -7.873 13.634 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.274 -5.058 13.677 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.554 -6.948 15.318 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.525 -7.457 14.035 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.879 -5.957 15.250 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.281 -4.942 13.953 1.00 0.00 H new ATOM 693 N LYS A 43 -0.370 -7.110 11.258 1.00 0.00 N ATOM 694 CA LYS A 43 0.047 -7.167 9.859 1.00 0.00 C ATOM 695 C LYS A 43 -0.799 -6.245 8.985 1.00 0.00 C ATOM 696 O LYS A 43 -0.316 -5.720 7.978 1.00 0.00 O ATOM 697 CB LYS A 43 -0.049 -8.623 9.367 1.00 0.00 C ATOM 698 CG LYS A 43 1.199 -9.172 8.664 1.00 0.00 C ATOM 699 CD LYS A 43 2.485 -9.055 9.494 1.00 0.00 C ATOM 700 CE LYS A 43 3.662 -9.787 8.859 1.00 0.00 C ATOM 701 NZ LYS A 43 4.014 -9.260 7.527 1.00 0.00 N ATOM 0 H LYS A 43 -0.645 -8.019 11.631 1.00 0.00 H new ATOM 0 HA LYS A 43 1.078 -6.821 9.784 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -0.273 -9.262 10.222 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.893 -8.701 8.682 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.033 -10.220 8.417 1.00 0.00 H new ATOM 0 HG3 LYS A 43 1.337 -8.640 7.723 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.740 -8.002 9.616 1.00 0.00 H new ATOM 0 HD3 LYS A 43 2.307 -9.457 10.491 1.00 0.00 H new ATOM 0 HE2 LYS A 43 4.529 -9.710 9.516 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.421 -10.847 8.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 4.988 -9.537 7.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 3.361 -9.648 6.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 3.942 -8.223 7.534 1.00 0.00 H new ATOM 715 N PHE A 44 -2.052 -6.042 9.370 1.00 0.00 N ATOM 716 CA PHE A 44 -2.975 -5.107 8.758 1.00 0.00 C ATOM 717 C PHE A 44 -2.391 -3.699 8.800 1.00 0.00 C ATOM 718 O PHE A 44 -2.489 -2.990 7.810 1.00 0.00 O ATOM 719 CB PHE A 44 -4.326 -5.159 9.472 1.00 0.00 C ATOM 720 CG PHE A 44 -5.441 -4.341 8.841 1.00 0.00 C ATOM 721 CD1 PHE A 44 -5.734 -4.477 7.472 1.00 0.00 C ATOM 722 CD2 PHE A 44 -6.244 -3.504 9.636 1.00 0.00 C ATOM 723 CE1 PHE A 44 -6.863 -3.853 6.917 1.00 0.00 C ATOM 724 CE2 PHE A 44 -7.348 -2.838 9.070 1.00 0.00 C ATOM 725 CZ PHE A 44 -7.673 -3.034 7.718 1.00 0.00 C ATOM 0 H PHE A 44 -2.467 -6.549 10.152 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.130 -5.385 7.715 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.649 -6.199 9.523 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.187 -4.818 10.498 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.085 -5.067 6.842 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -6.014 -3.372 10.683 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -7.107 -4.003 5.876 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -7.946 -2.175 9.677 1.00 0.00 H new ATOM 0 HZ PHE A 44 -8.544 -2.555 7.296 1.00 0.00 H new ATOM 735 N LYS A 45 -1.808 -3.273 9.926 1.00 0.00 N ATOM 736 CA LYS A 45 -1.208 -1.945 10.061 1.00 0.00 C ATOM 737 C LYS A 45 -0.035 -1.733 9.111 1.00 0.00 C ATOM 738 O LYS A 45 0.158 -0.605 8.667 1.00 0.00 O ATOM 739 CB LYS A 45 -0.775 -1.658 11.510 1.00 0.00 C ATOM 740 CG LYS A 45 -1.948 -1.590 12.502 1.00 0.00 C ATOM 741 CD LYS A 45 -2.910 -0.410 12.259 1.00 0.00 C ATOM 742 CE LYS A 45 -2.267 0.954 12.555 1.00 0.00 C ATOM 743 NZ LYS A 45 -2.217 1.254 14.001 1.00 0.00 N ATOM 0 H LYS A 45 -1.740 -3.842 10.770 1.00 0.00 H new ATOM 0 HA LYS A 45 -1.989 -1.236 9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.081 -2.434 11.833 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -0.232 -0.713 11.538 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.511 -2.521 12.446 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -1.550 -1.518 13.514 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.248 -0.430 11.223 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -3.794 -0.533 12.885 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -1.256 0.971 12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.829 1.736 12.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -1.775 2.184 14.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -3.183 1.265 14.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -1.658 0.524 14.488 1.00 0.00 H new ATOM 757 N GLU A 46 0.665 -2.789 8.692 1.00 0.00 N ATOM 758 CA GLU A 46 1.782 -2.734 7.805 1.00 0.00 C ATOM 759 C GLU A 46 1.220 -2.438 6.412 1.00 0.00 C ATOM 760 O GLU A 46 1.691 -1.528 5.733 1.00 0.00 O ATOM 761 CB GLU A 46 2.377 -4.154 7.888 1.00 0.00 C ATOM 762 CG GLU A 46 3.836 -4.174 7.502 1.00 0.00 C ATOM 763 CD GLU A 46 4.416 -5.573 7.205 1.00 0.00 C ATOM 764 OE1 GLU A 46 3.660 -6.549 6.989 1.00 0.00 O ATOM 765 OE2 GLU A 46 5.661 -5.748 7.188 1.00 0.00 O ATOM 0 H GLU A 46 0.442 -3.740 8.987 1.00 0.00 H new ATOM 0 HA GLU A 46 2.534 -1.980 8.036 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.264 -4.537 8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.818 -4.821 7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.971 -3.547 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.415 -3.721 8.307 1.00 0.00 H new ATOM 772 N ILE A 47 0.140 -3.136 6.035 1.00 0.00 N ATOM 773 CA ILE A 47 -0.646 -2.786 4.855 1.00 0.00 C ATOM 774 C ILE A 47 -1.115 -1.345 4.974 1.00 0.00 C ATOM 775 O ILE A 47 -0.820 -0.576 4.074 1.00 0.00 O ATOM 776 CB ILE A 47 -1.814 -3.771 4.588 1.00 0.00 C ATOM 777 CG1 ILE A 47 -1.201 -5.132 4.201 1.00 0.00 C ATOM 778 CG2 ILE A 47 -2.783 -3.227 3.513 1.00 0.00 C ATOM 779 CD1 ILE A 47 -2.155 -6.083 3.484 1.00 0.00 C ATOM 0 H ILE A 47 -0.207 -3.952 6.538 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.004 -2.876 3.979 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.421 -3.892 5.485 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.336 -4.956 3.561 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.835 -5.620 5.104 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -3.588 -3.944 3.353 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -3.203 -2.279 3.848 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.242 -3.074 2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -1.636 -7.013 3.252 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -3.009 -6.295 4.127 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.503 -5.621 2.560 1.00 0.00 H new ATOM 791 N ALA A 48 -1.862 -0.984 6.017 1.00 0.00 N ATOM 792 CA ALA A 48 -2.623 0.253 6.093 1.00 0.00 C ATOM 793 C ALA A 48 -1.697 1.467 5.985 1.00 0.00 C ATOM 794 O ALA A 48 -2.062 2.471 5.377 1.00 0.00 O ATOM 795 CB ALA A 48 -3.395 0.286 7.415 1.00 0.00 C ATOM 0 H ALA A 48 -1.954 -1.562 6.852 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.325 0.293 5.260 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.968 1.211 7.479 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -4.074 -0.565 7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.693 0.236 8.248 1.00 0.00 H new ATOM 801 N GLU A 49 -0.489 1.369 6.545 1.00 0.00 N ATOM 802 CA GLU A 49 0.471 2.458 6.476 1.00 0.00 C ATOM 803 C GLU A 49 0.948 2.651 5.032 1.00 0.00 C ATOM 804 O GLU A 49 1.017 3.786 4.553 1.00 0.00 O ATOM 805 CB GLU A 49 1.650 2.226 7.426 1.00 0.00 C ATOM 806 CG GLU A 49 2.343 3.566 7.701 1.00 0.00 C ATOM 807 CD GLU A 49 3.767 3.382 8.194 1.00 0.00 C ATOM 808 OE1 GLU A 49 3.993 3.202 9.412 1.00 0.00 O ATOM 809 OE2 GLU A 49 4.695 3.487 7.364 1.00 0.00 O ATOM 0 H GLU A 49 -0.159 0.546 7.049 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.025 3.373 6.800 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.300 1.785 8.359 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.355 1.521 6.985 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.350 4.164 6.790 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.772 4.123 8.444 1.00 0.00 H new ATOM 816 N ALA A 50 1.174 1.545 4.313 1.00 0.00 N ATOM 817 CA ALA A 50 1.595 1.565 2.920 1.00 0.00 C ATOM 818 C ALA A 50 0.416 1.975 2.035 1.00 0.00 C ATOM 819 O ALA A 50 0.603 2.636 1.018 1.00 0.00 O ATOM 820 CB ALA A 50 2.053 0.159 2.518 1.00 0.00 C ATOM 0 H ALA A 50 1.067 0.604 4.692 1.00 0.00 H new ATOM 0 HA ALA A 50 2.411 2.277 2.795 1.00 0.00 H new ATOM 0 HB1 ALA A 50 2.370 0.164 1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.887 -0.147 3.150 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.228 -0.542 2.643 1.00 0.00 H new ATOM 826 N TYR A 51 -0.796 1.594 2.436 1.00 0.00 N ATOM 827 CA TYR A 51 -2.062 1.794 1.751 1.00 0.00 C ATOM 828 C TYR A 51 -2.306 3.285 1.566 1.00 0.00 C ATOM 829 O TYR A 51 -2.623 3.724 0.462 1.00 0.00 O ATOM 830 CB TYR A 51 -3.162 1.159 2.610 1.00 0.00 C ATOM 831 CG TYR A 51 -4.440 0.777 1.928 1.00 0.00 C ATOM 832 CD1 TYR A 51 -5.488 1.704 1.834 1.00 0.00 C ATOM 833 CD2 TYR A 51 -4.630 -0.559 1.543 1.00 0.00 C ATOM 834 CE1 TYR A 51 -6.753 1.284 1.399 1.00 0.00 C ATOM 835 CE2 TYR A 51 -5.882 -0.983 1.089 1.00 0.00 C ATOM 836 CZ TYR A 51 -6.957 -0.066 1.034 1.00 0.00 C ATOM 837 OH TYR A 51 -8.178 -0.462 0.577 1.00 0.00 O ATOM 0 H TYR A 51 -0.923 1.099 3.319 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.055 1.330 0.765 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -2.750 0.264 3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -3.405 1.855 3.413 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -5.321 2.738 2.096 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -3.809 -1.259 1.597 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -7.569 1.990 1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.028 -2.008 0.781 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.080 -1.284 0.053 1.00 0.00 H new ATOM 847 N ASP A 52 -2.132 4.054 2.641 1.00 0.00 N ATOM 848 CA ASP A 52 -2.336 5.497 2.703 1.00 0.00 C ATOM 849 C ASP A 52 -1.542 6.243 1.635 1.00 0.00 C ATOM 850 O ASP A 52 -2.037 7.181 1.017 1.00 0.00 O ATOM 851 CB ASP A 52 -1.882 5.960 4.083 1.00 0.00 C ATOM 852 CG ASP A 52 -2.181 7.436 4.311 1.00 0.00 C ATOM 853 OD1 ASP A 52 -3.374 7.771 4.479 1.00 0.00 O ATOM 854 OD2 ASP A 52 -1.217 8.226 4.438 1.00 0.00 O ATOM 0 H ASP A 52 -1.830 3.666 3.535 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.389 5.713 2.524 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.381 5.366 4.848 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.812 5.785 4.191 1.00 0.00 H new ATOM 859 N VAL A 53 -0.308 5.801 1.394 1.00 0.00 N ATOM 860 CA VAL A 53 0.583 6.372 0.393 1.00 0.00 C ATOM 861 C VAL A 53 0.300 5.766 -0.982 1.00 0.00 C ATOM 862 O VAL A 53 0.184 6.488 -1.965 1.00 0.00 O ATOM 863 CB VAL A 53 2.038 6.172 0.868 1.00 0.00 C ATOM 864 CG1 VAL A 53 3.083 6.409 -0.229 1.00 0.00 C ATOM 865 CG2 VAL A 53 2.318 7.161 2.002 1.00 0.00 C ATOM 0 H VAL A 53 0.106 5.019 1.902 1.00 0.00 H new ATOM 0 HA VAL A 53 0.413 7.443 0.281 1.00 0.00 H new ATOM 0 HB VAL A 53 2.125 5.132 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 53 4.081 6.250 0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 53 2.912 5.714 -1.051 1.00 0.00 H new ATOM 0 HG13 VAL A 53 3.000 7.432 -0.596 1.00 0.00 H new ATOM 0 HG21 VAL A 53 3.343 7.034 2.351 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.182 8.180 1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.629 6.975 2.826 1.00 0.00 H new ATOM 875 N LEU A 54 0.221 4.444 -1.095 1.00 0.00 N ATOM 876 CA LEU A 54 0.092 3.725 -2.356 1.00 0.00 C ATOM 877 C LEU A 54 -1.249 3.995 -3.031 1.00 0.00 C ATOM 878 O LEU A 54 -1.316 3.924 -4.254 1.00 0.00 O ATOM 879 CB LEU A 54 0.393 2.253 -2.050 1.00 0.00 C ATOM 880 CG LEU A 54 0.688 1.364 -3.259 1.00 0.00 C ATOM 881 CD1 LEU A 54 1.821 1.887 -4.144 1.00 0.00 C ATOM 882 CD2 LEU A 54 1.154 0.002 -2.742 1.00 0.00 C ATOM 0 H LEU A 54 0.246 3.825 -0.285 1.00 0.00 H new ATOM 0 HA LEU A 54 0.805 4.073 -3.103 1.00 0.00 H new ATOM 0 HB2 LEU A 54 1.248 2.210 -1.375 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.458 1.833 -1.514 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.227 1.329 -3.850 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.973 1.205 -4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.560 2.875 -4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.738 1.954 -3.559 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.371 -0.653 -3.586 1.00 0.00 H new ATOM 0 HD22 LEU A 54 2.054 0.130 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.369 -0.443 -2.131 1.00 0.00 H new ATOM 894 N SER A 55 -2.283 4.400 -2.293 1.00 0.00 N ATOM 895 CA SER A 55 -3.536 4.868 -2.874 1.00 0.00 C ATOM 896 C SER A 55 -3.533 6.378 -3.173 1.00 0.00 C ATOM 897 O SER A 55 -4.554 6.885 -3.642 1.00 0.00 O ATOM 898 CB SER A 55 -4.717 4.428 -1.993 1.00 0.00 C ATOM 899 OG SER A 55 -4.659 4.914 -0.663 1.00 0.00 O ATOM 0 H SER A 55 -2.272 4.412 -1.273 1.00 0.00 H new ATOM 0 HA SER A 55 -3.653 4.398 -3.851 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.645 4.767 -2.452 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.753 3.339 -1.969 1.00 0.00 H new ATOM 0 HG SER A 55 -4.015 4.384 -0.149 1.00 0.00 H new ATOM 905 N ASP A 56 -2.444 7.117 -2.937 1.00 0.00 N ATOM 906 CA ASP A 56 -2.443 8.580 -2.944 1.00 0.00 C ATOM 907 C ASP A 56 -1.402 9.180 -3.906 1.00 0.00 C ATOM 908 O ASP A 56 -0.213 9.250 -3.569 1.00 0.00 O ATOM 909 CB ASP A 56 -2.230 9.125 -1.534 1.00 0.00 C ATOM 910 CG ASP A 56 -2.072 10.643 -1.570 1.00 0.00 C ATOM 911 OD1 ASP A 56 -2.755 11.303 -2.383 1.00 0.00 O ATOM 912 OD2 ASP A 56 -1.217 11.157 -0.815 1.00 0.00 O ATOM 0 H ASP A 56 -1.531 6.711 -2.734 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.424 8.885 -3.309 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.076 8.856 -0.901 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.343 8.671 -1.091 1.00 0.00 H new ATOM 917 N PRO A 57 -1.822 9.684 -5.082 1.00 0.00 N ATOM 918 CA PRO A 57 -0.959 10.400 -6.019 1.00 0.00 C ATOM 919 C PRO A 57 -0.559 11.811 -5.541 1.00 0.00 C ATOM 920 O PRO A 57 -0.517 12.745 -6.345 1.00 0.00 O ATOM 921 CB PRO A 57 -1.744 10.406 -7.345 1.00 0.00 C ATOM 922 CG PRO A 57 -3.199 10.415 -6.896 1.00 0.00 C ATOM 923 CD PRO A 57 -3.160 9.540 -5.648 1.00 0.00 C ATOM 0 HA PRO A 57 0.008 9.907 -6.123 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -1.505 11.281 -7.949 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.516 9.529 -7.950 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -3.550 11.423 -6.675 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -3.862 10.006 -7.658 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.920 9.852 -4.932 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.366 8.499 -5.898 1.00 0.00 H new ATOM 931 N ARG A 58 -0.250 12.005 -4.260 1.00 0.00 N ATOM 932 CA ARG A 58 0.431 13.193 -3.747 1.00 0.00 C ATOM 933 C ARG A 58 1.573 12.719 -2.876 1.00 0.00 C ATOM 934 O ARG A 58 2.728 12.913 -3.243 1.00 0.00 O ATOM 935 CB ARG A 58 -0.503 14.135 -2.971 1.00 0.00 C ATOM 936 CG ARG A 58 -1.543 14.853 -3.833 1.00 0.00 C ATOM 937 CD ARG A 58 -2.812 14.021 -3.979 1.00 0.00 C ATOM 938 NE ARG A 58 -3.827 14.700 -4.789 1.00 0.00 N ATOM 939 CZ ARG A 58 -3.908 14.697 -6.125 1.00 0.00 C ATOM 940 NH1 ARG A 58 -2.931 14.193 -6.874 1.00 0.00 N ATOM 941 NH2 ARG A 58 -4.998 15.195 -6.691 1.00 0.00 N ATOM 0 H ARG A 58 -0.471 11.325 -3.533 1.00 0.00 H new ATOM 0 HA ARG A 58 0.797 13.783 -4.587 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.021 13.560 -2.203 1.00 0.00 H new ATOM 0 HB3 ARG A 58 0.102 14.882 -2.457 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -1.787 15.816 -3.385 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.124 15.056 -4.818 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.566 13.063 -4.436 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -3.220 13.808 -2.991 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.541 15.226 -4.286 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.101 13.799 -6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.012 14.200 -7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -5.749 15.568 -6.110 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.086 15.205 -7.707 1.00 0.00 H new ATOM 955 N LYS A 59 1.310 11.978 -1.798 1.00 0.00 N ATOM 956 CA LYS A 59 2.409 11.618 -0.912 1.00 0.00 C ATOM 957 C LYS A 59 3.272 10.553 -1.589 1.00 0.00 C ATOM 958 O LYS A 59 4.493 10.580 -1.407 1.00 0.00 O ATOM 959 CB LYS A 59 1.860 11.204 0.464 1.00 0.00 C ATOM 960 CG LYS A 59 2.936 11.274 1.563 1.00 0.00 C ATOM 961 CD LYS A 59 2.351 11.307 2.987 1.00 0.00 C ATOM 962 CE LYS A 59 1.598 10.024 3.360 1.00 0.00 C ATOM 963 NZ LYS A 59 0.664 10.212 4.483 1.00 0.00 N ATOM 0 H LYS A 59 0.390 11.631 -1.528 1.00 0.00 H new ATOM 0 HA LYS A 59 3.059 12.473 -0.726 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.027 11.854 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.467 10.189 0.406 1.00 0.00 H new ATOM 0 HG2 LYS A 59 3.598 10.413 1.469 1.00 0.00 H new ATOM 0 HG3 LYS A 59 3.547 12.163 1.408 1.00 0.00 H new ATOM 0 HD2 LYS A 59 3.159 11.467 3.701 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.674 12.157 3.075 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.045 9.668 2.491 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.319 9.249 3.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 0.020 9.397 4.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.200 10.291 5.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 0.112 11.080 4.333 1.00 0.00 H new ATOM 977 N ARG A 60 2.729 9.690 -2.469 1.00 0.00 N ATOM 978 CA ARG A 60 3.571 8.882 -3.322 1.00 0.00 C ATOM 979 C ARG A 60 4.293 9.650 -4.414 1.00 0.00 C ATOM 980 O ARG A 60 5.240 9.111 -4.957 1.00 0.00 O ATOM 981 CB ARG A 60 2.789 7.709 -3.930 1.00 0.00 C ATOM 982 CG ARG A 60 3.762 6.542 -3.864 1.00 0.00 C ATOM 983 CD ARG A 60 3.208 5.181 -4.243 1.00 0.00 C ATOM 984 NE ARG A 60 4.311 4.262 -4.567 1.00 0.00 N ATOM 985 CZ ARG A 60 5.051 3.547 -3.711 1.00 0.00 C ATOM 986 NH1 ARG A 60 4.879 3.663 -2.398 1.00 0.00 N ATOM 987 NH2 ARG A 60 5.970 2.707 -4.157 1.00 0.00 N ATOM 0 H ARG A 60 1.727 9.547 -2.595 1.00 0.00 H new ATOM 0 HA ARG A 60 4.348 8.502 -2.659 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.879 7.502 -3.367 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.488 7.920 -4.956 1.00 0.00 H new ATOM 0 HG2 ARG A 60 4.605 6.762 -4.519 1.00 0.00 H new ATOM 0 HG3 ARG A 60 4.154 6.481 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.617 4.778 -3.421 1.00 0.00 H new ATOM 0 HD3 ARG A 60 2.540 5.276 -5.099 1.00 0.00 H new ATOM 0 HE ARG A 60 4.537 4.158 -5.556 1.00 0.00 H new ATOM 0 HH11 ARG A 60 4.175 4.304 -2.030 1.00 0.00 H new ATOM 0 HH12 ARG A 60 5.451 3.111 -1.758 1.00 0.00 H new ATOM 0 HH21 ARG A 60 6.119 2.600 -5.160 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.529 2.166 -3.498 1.00 0.00 H new ATOM 1001 N GLU A 61 3.919 10.873 -4.747 1.00 0.00 N ATOM 1002 CA GLU A 61 4.624 11.651 -5.756 1.00 0.00 C ATOM 1003 C GLU A 61 5.990 12.105 -5.222 1.00 0.00 C ATOM 1004 O GLU A 61 6.957 12.202 -5.978 1.00 0.00 O ATOM 1005 CB GLU A 61 3.717 12.830 -6.112 1.00 0.00 C ATOM 1006 CG GLU A 61 3.996 13.379 -7.498 1.00 0.00 C ATOM 1007 CD GLU A 61 3.007 14.484 -7.824 1.00 0.00 C ATOM 1008 OE1 GLU A 61 3.027 15.532 -7.135 1.00 0.00 O ATOM 1009 OE2 GLU A 61 2.174 14.285 -8.739 1.00 0.00 O ATOM 0 H GLU A 61 3.123 11.355 -4.329 1.00 0.00 H new ATOM 0 HA GLU A 61 4.831 11.062 -6.650 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.676 12.514 -6.053 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.852 13.623 -5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.015 13.764 -7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.920 12.581 -8.237 1.00 0.00 H new ATOM 1016 N ILE A 62 6.100 12.294 -3.905 1.00 0.00 N ATOM 1017 CA ILE A 62 7.358 12.584 -3.218 1.00 0.00 C ATOM 1018 C ILE A 62 8.168 11.285 -3.183 1.00 0.00 C ATOM 1019 O ILE A 62 9.355 11.266 -3.512 1.00 0.00 O ATOM 1020 CB ILE A 62 7.059 13.121 -1.792 1.00 0.00 C ATOM 1021 CG1 ILE A 62 6.217 14.414 -1.901 1.00 0.00 C ATOM 1022 CG2 ILE A 62 8.363 13.378 -1.018 1.00 0.00 C ATOM 1023 CD1 ILE A 62 5.910 15.090 -0.565 1.00 0.00 C ATOM 0 H ILE A 62 5.300 12.248 -3.274 1.00 0.00 H new ATOM 0 HA ILE A 62 7.932 13.353 -3.735 1.00 0.00 H new ATOM 0 HB ILE A 62 6.493 12.372 -1.238 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.745 15.123 -2.539 1.00 0.00 H new ATOM 0 HG13 ILE A 62 5.276 14.178 -2.398 1.00 0.00 H new ATOM 0 HG21 ILE A 62 8.127 13.754 -0.022 1.00 0.00 H new ATOM 0 HG22 ILE A 62 8.924 12.448 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 62 8.963 14.115 -1.551 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.316 15.987 -0.739 1.00 0.00 H new ATOM 0 HD12 ILE A 62 5.351 14.403 0.071 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.843 15.363 -0.072 1.00 0.00 H new ATOM 1035 N PHE A 63 7.508 10.187 -2.821 1.00 0.00 N ATOM 1036 CA PHE A 63 8.082 8.852 -2.795 1.00 0.00 C ATOM 1037 C PHE A 63 8.631 8.460 -4.177 1.00 0.00 C ATOM 1038 O PHE A 63 9.673 7.822 -4.270 1.00 0.00 O ATOM 1039 CB PHE A 63 6.967 7.913 -2.330 1.00 0.00 C ATOM 1040 CG PHE A 63 7.376 6.524 -1.931 1.00 0.00 C ATOM 1041 CD1 PHE A 63 7.748 5.602 -2.922 1.00 0.00 C ATOM 1042 CD2 PHE A 63 7.293 6.125 -0.585 1.00 0.00 C ATOM 1043 CE1 PHE A 63 8.073 4.293 -2.557 1.00 0.00 C ATOM 1044 CE2 PHE A 63 7.586 4.802 -0.227 1.00 0.00 C ATOM 1045 CZ PHE A 63 7.996 3.897 -1.213 1.00 0.00 C ATOM 0 H PHE A 63 6.531 10.207 -2.530 1.00 0.00 H new ATOM 0 HA PHE A 63 8.932 8.797 -2.115 1.00 0.00 H new ATOM 0 HB2 PHE A 63 6.464 8.376 -1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 63 6.232 7.834 -3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.783 5.902 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 63 7.003 6.838 0.173 1.00 0.00 H new ATOM 0 HE1 PHE A 63 8.384 3.585 -3.311 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.496 4.483 0.801 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.255 2.886 -0.937 1.00 0.00 H new ATOM 1055 N ASP A 64 7.956 8.839 -5.263 1.00 0.00 N ATOM 1056 CA ASP A 64 8.338 8.502 -6.637 1.00 0.00 C ATOM 1057 C ASP A 64 9.664 9.166 -7.015 1.00 0.00 C ATOM 1058 O ASP A 64 10.437 8.623 -7.808 1.00 0.00 O ATOM 1059 CB ASP A 64 7.227 8.922 -7.621 1.00 0.00 C ATOM 1060 CG ASP A 64 6.715 7.741 -8.443 1.00 0.00 C ATOM 1061 OD1 ASP A 64 7.514 7.015 -9.076 1.00 0.00 O ATOM 1062 OD2 ASP A 64 5.484 7.501 -8.437 1.00 0.00 O ATOM 0 H ASP A 64 7.107 9.403 -5.211 1.00 0.00 H new ATOM 0 HA ASP A 64 8.470 7.422 -6.698 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.399 9.364 -7.066 1.00 0.00 H new ATOM 0 HB3 ASP A 64 7.608 9.692 -8.291 1.00 0.00 H new ATOM 1067 N ARG A 65 9.946 10.333 -6.428 1.00 0.00 N ATOM 1068 CA ARG A 65 11.189 11.079 -6.589 1.00 0.00 C ATOM 1069 C ARG A 65 12.246 10.397 -5.718 1.00 0.00 C ATOM 1070 O ARG A 65 13.180 9.784 -6.240 1.00 0.00 O ATOM 1071 CB ARG A 65 10.903 12.558 -6.276 1.00 0.00 C ATOM 1072 CG ARG A 65 12.053 13.477 -5.841 1.00 0.00 C ATOM 1073 CD ARG A 65 12.782 14.164 -6.999 1.00 0.00 C ATOM 1074 NE ARG A 65 13.929 13.399 -7.497 1.00 0.00 N ATOM 1075 CZ ARG A 65 14.647 13.680 -8.588 1.00 0.00 C ATOM 1076 NH1 ARG A 65 14.357 14.722 -9.363 1.00 0.00 N ATOM 1077 NH2 ARG A 65 15.668 12.890 -8.880 1.00 0.00 N ATOM 0 H ARG A 65 9.287 10.798 -5.804 1.00 0.00 H new ATOM 0 HA ARG A 65 11.588 11.074 -7.603 1.00 0.00 H new ATOM 0 HB2 ARG A 65 10.452 12.998 -7.165 1.00 0.00 H new ATOM 0 HB3 ARG A 65 10.149 12.585 -5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 65 11.659 14.241 -5.171 1.00 0.00 H new ATOM 0 HG3 ARG A 65 12.774 12.892 -5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 65 12.079 14.326 -7.817 1.00 0.00 H new ATOM 0 HD3 ARG A 65 13.123 15.146 -6.673 1.00 0.00 H new ATOM 0 HE ARG A 65 14.204 12.576 -6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 65 13.571 15.328 -9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 65 14.921 14.915 -10.191 1.00 0.00 H new ATOM 0 HH21 ARG A 65 15.886 12.095 -8.279 1.00 0.00 H new ATOM 0 HH22 ARG A 65 16.237 13.076 -9.706 1.00 0.00 H new ATOM 1091 N TYR A 66 12.136 10.497 -4.394 1.00 0.00 N ATOM 1092 CA TYR A 66 13.245 10.155 -3.498 1.00 0.00 C ATOM 1093 C TYR A 66 13.336 8.668 -3.166 1.00 0.00 C ATOM 1094 O TYR A 66 14.318 8.248 -2.555 1.00 0.00 O ATOM 1095 CB TYR A 66 13.131 10.938 -2.194 1.00 0.00 C ATOM 1096 CG TYR A 66 13.091 12.438 -2.369 1.00 0.00 C ATOM 1097 CD1 TYR A 66 14.291 13.143 -2.566 1.00 0.00 C ATOM 1098 CD2 TYR A 66 11.869 13.129 -2.329 1.00 0.00 C ATOM 1099 CE1 TYR A 66 14.264 14.531 -2.774 1.00 0.00 C ATOM 1100 CE2 TYR A 66 11.835 14.516 -2.544 1.00 0.00 C ATOM 1101 CZ TYR A 66 13.033 15.221 -2.799 1.00 0.00 C ATOM 1102 OH TYR A 66 13.012 16.551 -3.083 1.00 0.00 O ATOM 0 H TYR A 66 11.292 10.812 -3.916 1.00 0.00 H new ATOM 0 HA TYR A 66 14.152 10.423 -4.040 1.00 0.00 H new ATOM 0 HB2 TYR A 66 12.228 10.621 -1.672 1.00 0.00 H new ATOM 0 HB3 TYR A 66 13.976 10.681 -1.555 1.00 0.00 H new ATOM 0 HD1 TYR A 66 15.234 12.617 -2.557 1.00 0.00 H new ATOM 0 HD2 TYR A 66 10.953 12.592 -2.132 1.00 0.00 H new ATOM 0 HE1 TYR A 66 15.188 15.072 -2.915 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.893 15.044 -2.515 1.00 0.00 H new ATOM 0 HH TYR A 66 12.088 16.876 -3.061 1.00 0.00 H new ATOM 1112 N GLY A 67 12.355 7.859 -3.556 1.00 0.00 N ATOM 1113 CA GLY A 67 12.171 6.540 -2.983 1.00 0.00 C ATOM 1114 C GLY A 67 11.557 6.662 -1.591 1.00 0.00 C ATOM 1115 O GLY A 67 11.154 7.744 -1.151 1.00 0.00 O ATOM 0 H GLY A 67 11.672 8.102 -4.274 1.00 0.00 H new ATOM 0 HA2 GLY A 67 11.524 5.942 -3.625 1.00 0.00 H new ATOM 0 HA3 GLY A 67 13.128 6.022 -2.924 1.00 0.00 H new ATOM 1119 N GLU A 68 11.480 5.527 -0.899 1.00 0.00 N ATOM 1120 CA GLU A 68 10.914 5.418 0.439 1.00 0.00 C ATOM 1121 C GLU A 68 11.605 6.391 1.391 1.00 0.00 C ATOM 1122 O GLU A 68 10.954 7.062 2.190 1.00 0.00 O ATOM 1123 CB GLU A 68 11.077 3.968 0.921 1.00 0.00 C ATOM 1124 CG GLU A 68 10.367 3.699 2.256 1.00 0.00 C ATOM 1125 CD GLU A 68 10.993 2.516 2.988 1.00 0.00 C ATOM 1126 OE1 GLU A 68 12.068 2.711 3.595 1.00 0.00 O ATOM 1127 OE2 GLU A 68 10.401 1.412 3.019 1.00 0.00 O ATOM 0 H GLU A 68 11.819 4.637 -1.265 1.00 0.00 H new ATOM 0 HA GLU A 68 9.855 5.677 0.418 1.00 0.00 H new ATOM 0 HB2 GLU A 68 10.682 3.292 0.163 1.00 0.00 H new ATOM 0 HB3 GLU A 68 12.138 3.743 1.028 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.421 4.588 2.884 1.00 0.00 H new ATOM 0 HG3 GLU A 68 9.311 3.500 2.075 1.00 0.00 H new ATOM 1134 N GLU A 69 12.925 6.498 1.284 1.00 0.00 N ATOM 1135 CA GLU A 69 13.769 7.279 2.175 1.00 0.00 C ATOM 1136 C GLU A 69 13.605 8.799 1.996 1.00 0.00 C ATOM 1137 O GLU A 69 14.268 9.569 2.690 1.00 0.00 O ATOM 1138 CB GLU A 69 15.212 6.772 2.044 1.00 0.00 C ATOM 1139 CG GLU A 69 15.872 6.993 0.675 1.00 0.00 C ATOM 1140 CD GLU A 69 17.037 6.019 0.449 1.00 0.00 C ATOM 1141 OE1 GLU A 69 17.757 5.659 1.412 1.00 0.00 O ATOM 1142 OE2 GLU A 69 17.200 5.545 -0.701 1.00 0.00 O ATOM 0 H GLU A 69 13.453 6.027 0.549 1.00 0.00 H new ATOM 0 HA GLU A 69 13.448 7.127 3.206 1.00 0.00 H new ATOM 0 HB2 GLU A 69 15.821 7.262 2.804 1.00 0.00 H new ATOM 0 HB3 GLU A 69 15.224 5.705 2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 69 15.130 6.864 -0.113 1.00 0.00 H new ATOM 0 HG3 GLU A 69 16.235 8.018 0.606 1.00 0.00 H new ATOM 1149 N GLY A 70 12.696 9.266 1.133 1.00 0.00 N ATOM 1150 CA GLY A 70 12.264 10.660 1.099 1.00 0.00 C ATOM 1151 C GLY A 70 10.806 10.868 1.477 1.00 0.00 C ATOM 1152 O GLY A 70 10.252 11.922 1.157 1.00 0.00 O ATOM 0 H GLY A 70 12.238 8.680 0.435 1.00 0.00 H new ATOM 0 HA2 GLY A 70 12.890 11.240 1.777 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.428 11.056 0.097 1.00 0.00 H new ATOM 1156 N LEU A 71 10.155 9.894 2.119 1.00 0.00 N ATOM 1157 CA LEU A 71 8.734 9.996 2.419 1.00 0.00 C ATOM 1158 C LEU A 71 8.522 11.170 3.366 1.00 0.00 C ATOM 1159 O LEU A 71 9.192 11.291 4.394 1.00 0.00 O ATOM 1160 CB LEU A 71 8.215 8.706 3.075 1.00 0.00 C ATOM 1161 CG LEU A 71 6.730 8.799 3.485 1.00 0.00 C ATOM 1162 CD1 LEU A 71 5.791 8.900 2.277 1.00 0.00 C ATOM 1163 CD2 LEU A 71 6.351 7.580 4.315 1.00 0.00 C ATOM 0 H LEU A 71 10.593 9.030 2.438 1.00 0.00 H new ATOM 0 HA LEU A 71 8.184 10.148 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 71 8.345 7.874 2.383 1.00 0.00 H new ATOM 0 HB3 LEU A 71 8.817 8.484 3.956 1.00 0.00 H new ATOM 0 HG LEU A 71 6.614 9.712 4.069 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.759 8.963 2.623 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.035 9.792 1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 71 5.910 8.017 1.649 1.00 0.00 H new ATOM 0 HD21 LEU A 71 5.302 7.648 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.508 6.676 3.726 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.972 7.542 5.210 1.00 0.00 H new