USER MOD reduce.3.24.130724 H: found=0, std=0, add=868, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 867 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 VAL N :NH3+ 144:sc= -0.97 (180deg=-1.16) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 100:sc= 0.169 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.279 X(o=-0.28,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= -0.0276 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 51 THR OG1 : rot 180:sc= -2! USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 11:sc= 0.569 USER MOD Single : A 67 SER OG : rot 65:sc= 0.407 USER MOD Single : A 68 LYS NZ :NH3+ 153:sc= -0.384 (180deg=-1.72) USER MOD Single : A 72 THR OG1 : rot 51:sc= -0.999 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0.028) USER MOD Single : A 89 SER OG : rot -94:sc= 0.847 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.347 X(o=-0.35,f=-0.31) USER MOD Single : A 98 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 24.107 1.002 1.611 1.00 0.00 N ATOM 2 CA VAL A 1 23.100 -0.083 1.783 1.00 0.00 C ATOM 3 C VAL A 1 21.838 0.265 0.991 1.00 0.00 C ATOM 4 O VAL A 1 21.267 1.326 1.147 1.00 0.00 O ATOM 5 CB VAL A 1 22.751 -0.224 3.265 1.00 0.00 C ATOM 6 CG1 VAL A 1 23.974 -0.732 4.029 1.00 0.00 C ATOM 7 CG2 VAL A 1 22.332 1.140 3.822 1.00 0.00 C ATOM 0 H1 VAL A 1 24.632 1.132 2.499 1.00 0.00 H new ATOM 0 H2 VAL A 1 24.769 0.744 0.852 1.00 0.00 H new ATOM 0 H3 VAL A 1 23.623 1.888 1.362 1.00 0.00 H new ATOM 0 HA VAL A 1 23.511 -1.024 1.417 1.00 0.00 H new ATOM 0 HB VAL A 1 21.930 -0.932 3.380 1.00 0.00 H new ATOM 0 HG11 VAL A 1 23.727 -0.833 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 1 24.274 -1.702 3.632 1.00 0.00 H new ATOM 0 HG13 VAL A 1 24.795 -0.024 3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 1 22.083 1.041 4.879 1.00 0.00 H new ATOM 0 HG22 VAL A 1 23.153 1.848 3.708 1.00 0.00 H new ATOM 0 HG23 VAL A 1 21.461 1.504 3.277 1.00 0.00 H new ATOM 19 N THR A 2 21.400 -0.621 0.138 1.00 0.00 N ATOM 20 CA THR A 2 20.178 -0.340 -0.666 1.00 0.00 C ATOM 21 C THR A 2 19.446 -1.653 -0.952 1.00 0.00 C ATOM 22 O THR A 2 19.070 -1.935 -2.073 1.00 0.00 O ATOM 23 CB THR A 2 20.579 0.322 -1.986 1.00 0.00 C ATOM 24 OG1 THR A 2 21.979 0.571 -1.983 1.00 0.00 O ATOM 25 CG2 THR A 2 19.826 1.644 -2.148 1.00 0.00 C ATOM 0 H THR A 2 21.836 -1.527 -0.036 1.00 0.00 H new ATOM 0 HA THR A 2 19.520 0.329 -0.111 1.00 0.00 H new ATOM 0 HB THR A 2 20.328 -0.340 -2.814 1.00 0.00 H new ATOM 0 HG1 THR A 2 22.238 0.994 -2.828 1.00 0.00 H new ATOM 0 HG21 THR A 2 20.113 2.113 -3.089 1.00 0.00 H new ATOM 0 HG22 THR A 2 18.753 1.453 -2.150 1.00 0.00 H new ATOM 0 HG23 THR A 2 20.075 2.308 -1.320 1.00 0.00 H new ATOM 33 N ALA A 3 19.241 -2.460 0.053 1.00 0.00 N ATOM 34 CA ALA A 3 18.534 -3.755 -0.160 1.00 0.00 C ATOM 35 C ALA A 3 17.082 -3.625 0.304 1.00 0.00 C ATOM 36 O ALA A 3 16.787 -2.944 1.266 1.00 0.00 O ATOM 37 CB ALA A 3 19.228 -4.855 0.646 1.00 0.00 C ATOM 0 H ALA A 3 19.533 -2.278 1.013 1.00 0.00 H new ATOM 0 HA ALA A 3 18.557 -4.011 -1.219 1.00 0.00 H new ATOM 0 HB1 ALA A 3 18.711 -5.802 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 3 20.263 -4.949 0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 3 19.205 -4.599 1.705 1.00 0.00 H new ATOM 43 N GLU A 4 16.173 -4.274 -0.370 1.00 0.00 N ATOM 44 CA GLU A 4 14.742 -4.190 0.034 1.00 0.00 C ATOM 45 C GLU A 4 14.176 -2.825 -0.362 1.00 0.00 C ATOM 46 O GLU A 4 14.898 -1.936 -0.770 1.00 0.00 O ATOM 47 CB GLU A 4 14.628 -4.368 1.550 1.00 0.00 C ATOM 48 CG GLU A 4 15.567 -5.488 2.004 1.00 0.00 C ATOM 49 CD GLU A 4 15.035 -6.108 3.297 1.00 0.00 C ATOM 50 OE1 GLU A 4 13.827 -6.126 3.470 1.00 0.00 O ATOM 51 OE2 GLU A 4 15.845 -6.555 4.094 1.00 0.00 O ATOM 0 H GLU A 4 16.360 -4.859 -1.184 1.00 0.00 H new ATOM 0 HA GLU A 4 14.178 -4.976 -0.469 1.00 0.00 H new ATOM 0 HB2 GLU A 4 14.883 -3.437 2.056 1.00 0.00 H new ATOM 0 HB3 GLU A 4 13.600 -4.608 1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 4 15.644 -6.249 1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 4 16.570 -5.093 2.164 1.00 0.00 H new ATOM 58 N ILE A 5 12.888 -2.653 -0.244 1.00 0.00 N ATOM 59 CA ILE A 5 12.270 -1.348 -0.613 1.00 0.00 C ATOM 60 C ILE A 5 11.157 -1.019 0.383 1.00 0.00 C ATOM 61 O ILE A 5 10.706 -1.868 1.127 1.00 0.00 O ATOM 62 CB ILE A 5 11.683 -1.442 -2.021 1.00 0.00 C ATOM 63 CG1 ILE A 5 11.092 -0.086 -2.417 1.00 0.00 C ATOM 64 CG2 ILE A 5 10.584 -2.504 -2.045 1.00 0.00 C ATOM 65 CD1 ILE A 5 10.809 -0.071 -3.921 1.00 0.00 C ATOM 0 H ILE A 5 12.236 -3.361 0.093 1.00 0.00 H new ATOM 0 HA ILE A 5 13.027 -0.564 -0.589 1.00 0.00 H new ATOM 0 HB ILE A 5 12.468 -1.717 -2.726 1.00 0.00 H new ATOM 0 HG12 ILE A 5 10.172 0.098 -1.861 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.786 0.714 -2.159 1.00 0.00 H new ATOM 0 HG21 ILE A 5 10.165 -2.571 -3.049 1.00 0.00 H new ATOM 0 HG22 ILE A 5 11.004 -3.469 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 5 9.798 -2.230 -1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 5 10.388 0.894 -4.202 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.738 -0.235 -4.468 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.099 -0.861 -4.166 1.00 0.00 H new ATOM 77 N ARG A 6 10.709 0.206 0.406 1.00 0.00 N ATOM 78 CA ARG A 6 9.626 0.581 1.356 1.00 0.00 C ATOM 79 C ARG A 6 8.389 1.028 0.575 1.00 0.00 C ATOM 80 O ARG A 6 8.427 1.982 -0.176 1.00 0.00 O ATOM 81 CB ARG A 6 10.104 1.726 2.252 1.00 0.00 C ATOM 82 CG ARG A 6 11.382 1.308 2.978 1.00 0.00 C ATOM 83 CD ARG A 6 12.554 2.146 2.468 1.00 0.00 C ATOM 84 NE ARG A 6 12.445 3.530 3.007 1.00 0.00 N ATOM 85 CZ ARG A 6 13.246 3.925 3.959 1.00 0.00 C ATOM 86 NH1 ARG A 6 14.418 4.415 3.664 1.00 0.00 N ATOM 87 NH2 ARG A 6 12.873 3.827 5.206 1.00 0.00 N ATOM 0 H ARG A 6 11.046 0.962 -0.191 1.00 0.00 H new ATOM 0 HA ARG A 6 9.373 -0.282 1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 6 10.289 2.618 1.653 1.00 0.00 H new ATOM 0 HB3 ARG A 6 9.330 1.983 2.975 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.264 1.445 4.053 1.00 0.00 H new ATOM 0 HG3 ARG A 6 11.578 0.249 2.811 1.00 0.00 H new ATOM 0 HD2 ARG A 6 13.498 1.697 2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.553 2.167 1.378 1.00 0.00 H new ATOM 0 HE ARG A 6 11.744 4.169 2.632 1.00 0.00 H new ATOM 0 HH11 ARG A 6 14.709 4.490 2.689 1.00 0.00 H new ATOM 0 HH12 ARG A 6 15.044 4.724 4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 6 11.957 3.442 5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 6 13.498 4.135 5.951 1.00 0.00 H new ATOM 101 N LEU A 7 7.290 0.350 0.755 1.00 0.00 N ATOM 102 CA LEU A 7 6.047 0.740 0.032 1.00 0.00 C ATOM 103 C LEU A 7 4.870 0.709 1.007 1.00 0.00 C ATOM 104 O LEU A 7 4.988 0.235 2.120 1.00 0.00 O ATOM 105 CB LEU A 7 5.790 -0.233 -1.125 1.00 0.00 C ATOM 106 CG LEU A 7 6.012 -1.673 -0.658 1.00 0.00 C ATOM 107 CD1 LEU A 7 4.683 -2.267 -0.188 1.00 0.00 C ATOM 108 CD2 LEU A 7 6.557 -2.504 -1.822 1.00 0.00 C ATOM 0 H LEU A 7 7.199 -0.457 1.372 1.00 0.00 H new ATOM 0 HA LEU A 7 6.160 1.746 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.770 -0.114 -1.491 1.00 0.00 H new ATOM 0 HB3 LEU A 7 6.456 -0.005 -1.957 1.00 0.00 H new ATOM 0 HG LEU A 7 6.726 -1.684 0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.840 -3.293 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.291 -1.674 0.638 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.969 -2.258 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 7 6.716 -3.531 -1.493 1.00 0.00 H new ATOM 0 HD22 LEU A 7 5.841 -2.493 -2.643 1.00 0.00 H new ATOM 0 HD23 LEU A 7 7.503 -2.080 -2.160 1.00 0.00 H new ATOM 120 N TYR A 8 3.738 1.218 0.607 1.00 0.00 N ATOM 121 CA TYR A 8 2.564 1.224 1.524 1.00 0.00 C ATOM 122 C TYR A 8 1.285 0.948 0.731 1.00 0.00 C ATOM 123 O TYR A 8 0.873 1.738 -0.095 1.00 0.00 O ATOM 124 CB TYR A 8 2.460 2.592 2.201 1.00 0.00 C ATOM 125 CG TYR A 8 1.160 2.687 2.960 1.00 0.00 C ATOM 126 CD1 TYR A 8 0.800 1.676 3.861 1.00 0.00 C ATOM 127 CD2 TYR A 8 0.313 3.786 2.766 1.00 0.00 C ATOM 128 CE1 TYR A 8 -0.407 1.764 4.568 1.00 0.00 C ATOM 129 CE2 TYR A 8 -0.894 3.875 3.473 1.00 0.00 C ATOM 130 CZ TYR A 8 -1.254 2.863 4.374 1.00 0.00 C ATOM 131 OH TYR A 8 -2.442 2.951 5.070 1.00 0.00 O ATOM 0 H TYR A 8 3.575 1.629 -0.312 1.00 0.00 H new ATOM 0 HA TYR A 8 2.691 0.448 2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.300 2.737 2.880 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.514 3.383 1.453 1.00 0.00 H new ATOM 0 HD1 TYR A 8 1.453 0.829 4.011 1.00 0.00 H new ATOM 0 HD2 TYR A 8 0.590 4.565 2.071 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.684 0.985 5.262 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -1.546 4.723 3.324 1.00 0.00 H new ATOM 0 HH TYR A 8 -2.908 3.776 4.819 1.00 0.00 H new ATOM 141 N ILE A 9 0.650 -0.165 0.980 1.00 0.00 N ATOM 142 CA ILE A 9 -0.606 -0.488 0.246 1.00 0.00 C ATOM 143 C ILE A 9 -1.806 -0.027 1.075 1.00 0.00 C ATOM 144 O ILE A 9 -1.766 -0.017 2.289 1.00 0.00 O ATOM 145 CB ILE A 9 -0.696 -1.999 0.021 1.00 0.00 C ATOM 146 CG1 ILE A 9 0.628 -2.510 -0.551 1.00 0.00 C ATOM 147 CG2 ILE A 9 -1.825 -2.302 -0.966 1.00 0.00 C ATOM 148 CD1 ILE A 9 0.795 -3.989 -0.199 1.00 0.00 C ATOM 0 H ILE A 9 0.947 -0.865 1.660 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.605 0.021 -0.718 1.00 0.00 H new ATOM 0 HB ILE A 9 -0.899 -2.495 0.970 1.00 0.00 H new ATOM 0 HG12 ILE A 9 0.645 -2.378 -1.633 1.00 0.00 H new ATOM 0 HG13 ILE A 9 1.459 -1.932 -0.146 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -1.889 -3.378 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -2.770 -1.939 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.622 -1.805 -1.915 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.738 -4.356 -0.605 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.797 -4.107 0.885 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.030 -4.560 -0.625 1.00 0.00 H new ATOM 160 N THR A 10 -2.872 0.358 0.431 1.00 0.00 N ATOM 161 CA THR A 10 -4.070 0.818 1.191 1.00 0.00 C ATOM 162 C THR A 10 -4.414 -0.212 2.268 1.00 0.00 C ATOM 163 O THR A 10 -4.087 -1.377 2.155 1.00 0.00 O ATOM 164 CB THR A 10 -5.261 0.979 0.240 1.00 0.00 C ATOM 165 OG1 THR A 10 -4.849 0.709 -1.092 1.00 0.00 O ATOM 166 CG2 THR A 10 -5.794 2.410 0.329 1.00 0.00 C ATOM 0 H THR A 10 -2.967 0.375 -0.584 1.00 0.00 H new ATOM 0 HA THR A 10 -3.852 1.779 1.658 1.00 0.00 H new ATOM 0 HB THR A 10 -6.047 0.279 0.523 1.00 0.00 H new ATOM 0 HG1 THR A 10 -5.111 -0.203 -1.337 1.00 0.00 H new ATOM 0 HG21 THR A 10 -6.641 2.525 -0.347 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.114 2.616 1.350 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.007 3.110 0.047 1.00 0.00 H new ATOM 174 N GLU A 11 -5.072 0.207 3.315 1.00 0.00 N ATOM 175 CA GLU A 11 -5.435 -0.747 4.399 1.00 0.00 C ATOM 176 C GLU A 11 -6.893 -1.182 4.232 1.00 0.00 C ATOM 177 O GLU A 11 -7.688 -0.497 3.622 1.00 0.00 O ATOM 178 CB GLU A 11 -5.261 -0.065 5.757 1.00 0.00 C ATOM 179 CG GLU A 11 -4.142 -0.760 6.537 1.00 0.00 C ATOM 180 CD GLU A 11 -4.278 -0.436 8.026 1.00 0.00 C ATOM 181 OE1 GLU A 11 -4.019 0.698 8.391 1.00 0.00 O ATOM 182 OE2 GLU A 11 -4.639 -1.329 8.775 1.00 0.00 O ATOM 0 H GLU A 11 -5.374 1.170 3.466 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.787 -1.621 4.344 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.022 0.989 5.618 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.193 -0.109 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.192 -1.838 6.383 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.170 -0.431 6.170 1.00 0.00 H new ATOM 189 N GLY A 12 -7.247 -2.316 4.771 1.00 0.00 N ATOM 190 CA GLY A 12 -8.653 -2.792 4.644 1.00 0.00 C ATOM 191 C GLY A 12 -8.707 -4.301 4.885 1.00 0.00 C ATOM 192 O GLY A 12 -7.779 -4.890 5.402 1.00 0.00 O ATOM 0 H GLY A 12 -6.624 -2.933 5.293 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.289 -2.276 5.363 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.039 -2.558 3.652 1.00 0.00 H new ATOM 196 N GLU A 13 -9.787 -4.932 4.515 1.00 0.00 N ATOM 197 CA GLU A 13 -9.900 -6.402 4.723 1.00 0.00 C ATOM 198 C GLU A 13 -10.895 -6.983 3.715 1.00 0.00 C ATOM 199 O GLU A 13 -11.946 -7.471 4.078 1.00 0.00 O ATOM 200 CB GLU A 13 -10.394 -6.680 6.144 1.00 0.00 C ATOM 201 CG GLU A 13 -10.335 -8.184 6.421 1.00 0.00 C ATOM 202 CD GLU A 13 -11.111 -8.501 7.701 1.00 0.00 C ATOM 203 OE1 GLU A 13 -12.275 -8.140 7.770 1.00 0.00 O ATOM 204 OE2 GLU A 13 -10.529 -9.098 8.591 1.00 0.00 O ATOM 0 H GLU A 13 -10.597 -4.492 4.077 1.00 0.00 H new ATOM 0 HA GLU A 13 -8.924 -6.866 4.581 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.779 -6.142 6.866 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -11.415 -6.318 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.758 -8.736 5.581 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.298 -8.505 6.523 1.00 0.00 H new ATOM 211 N VAL A 14 -10.572 -6.932 2.451 1.00 0.00 N ATOM 212 CA VAL A 14 -11.501 -7.480 1.423 1.00 0.00 C ATOM 213 C VAL A 14 -10.891 -8.740 0.801 1.00 0.00 C ATOM 214 O VAL A 14 -9.893 -9.253 1.268 1.00 0.00 O ATOM 215 CB VAL A 14 -11.730 -6.434 0.331 1.00 0.00 C ATOM 216 CG1 VAL A 14 -12.760 -5.410 0.810 1.00 0.00 C ATOM 217 CG2 VAL A 14 -10.411 -5.722 0.025 1.00 0.00 C ATOM 0 H VAL A 14 -9.706 -6.535 2.087 1.00 0.00 H new ATOM 0 HA VAL A 14 -12.452 -7.730 1.892 1.00 0.00 H new ATOM 0 HB VAL A 14 -12.098 -6.925 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -12.922 -4.665 0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -13.700 -5.915 1.030 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -12.393 -4.918 1.711 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -10.572 -4.976 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -10.044 -5.232 0.927 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.675 -6.450 -0.317 1.00 0.00 H new ATOM 227 N GLU A 15 -11.483 -9.240 -0.248 1.00 0.00 N ATOM 228 CA GLU A 15 -10.940 -10.465 -0.899 1.00 0.00 C ATOM 229 C GLU A 15 -9.922 -10.064 -1.969 1.00 0.00 C ATOM 230 O GLU A 15 -9.065 -10.839 -2.345 1.00 0.00 O ATOM 231 CB GLU A 15 -12.083 -11.246 -1.549 1.00 0.00 C ATOM 232 CG GLU A 15 -11.767 -12.742 -1.514 1.00 0.00 C ATOM 233 CD GLU A 15 -12.994 -13.533 -1.972 1.00 0.00 C ATOM 234 OE1 GLU A 15 -14.067 -12.957 -2.006 1.00 0.00 O ATOM 235 OE2 GLU A 15 -12.837 -14.704 -2.281 1.00 0.00 O ATOM 0 H GLU A 15 -12.320 -8.853 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 15 -10.453 -11.090 -0.150 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -13.017 -11.049 -1.023 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -12.222 -10.917 -2.579 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -10.918 -12.960 -2.161 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -11.484 -13.041 -0.505 1.00 0.00 H new ATOM 242 N ASP A 16 -10.010 -8.860 -2.464 1.00 0.00 N ATOM 243 CA ASP A 16 -9.048 -8.412 -3.510 1.00 0.00 C ATOM 244 C ASP A 16 -7.663 -8.225 -2.885 1.00 0.00 C ATOM 245 O ASP A 16 -6.681 -8.762 -3.357 1.00 0.00 O ATOM 246 CB ASP A 16 -9.523 -7.083 -4.104 1.00 0.00 C ATOM 247 CG ASP A 16 -10.570 -7.353 -5.186 1.00 0.00 C ATOM 248 OD1 ASP A 16 -10.750 -8.508 -5.533 1.00 0.00 O ATOM 249 OD2 ASP A 16 -11.174 -6.400 -5.650 1.00 0.00 O ATOM 0 H ASP A 16 -10.706 -8.167 -2.189 1.00 0.00 H new ATOM 0 HA ASP A 16 -8.992 -9.164 -4.297 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -9.947 -6.454 -3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -8.679 -6.539 -4.528 1.00 0.00 H new ATOM 254 N TYR A 17 -7.578 -7.468 -1.826 1.00 0.00 N ATOM 255 CA TYR A 17 -6.256 -7.248 -1.172 1.00 0.00 C ATOM 256 C TYR A 17 -5.749 -8.567 -0.587 1.00 0.00 C ATOM 257 O TYR A 17 -4.574 -8.729 -0.322 1.00 0.00 O ATOM 258 CB TYR A 17 -6.408 -6.219 -0.050 1.00 0.00 C ATOM 259 CG TYR A 17 -5.060 -5.953 0.575 1.00 0.00 C ATOM 260 CD1 TYR A 17 -3.923 -5.829 -0.236 1.00 0.00 C ATOM 261 CD2 TYR A 17 -4.942 -5.832 1.966 1.00 0.00 C ATOM 262 CE1 TYR A 17 -2.671 -5.584 0.343 1.00 0.00 C ATOM 263 CE2 TYR A 17 -3.690 -5.587 2.546 1.00 0.00 C ATOM 264 CZ TYR A 17 -2.555 -5.462 1.734 1.00 0.00 C ATOM 265 OH TYR A 17 -1.321 -5.222 2.304 1.00 0.00 O ATOM 0 H TYR A 17 -8.365 -6.993 -1.385 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.543 -6.880 -1.910 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -6.826 -5.293 -0.445 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -7.104 -6.587 0.704 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -4.012 -5.922 -1.308 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -5.817 -5.928 2.592 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -1.796 -5.489 -0.283 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.600 -5.495 3.618 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.416 -5.164 3.278 1.00 0.00 H new ATOM 275 N ARG A 18 -6.625 -9.512 -0.379 1.00 0.00 N ATOM 276 CA ARG A 18 -6.192 -10.818 0.192 1.00 0.00 C ATOM 277 C ARG A 18 -5.465 -11.634 -0.880 1.00 0.00 C ATOM 278 O ARG A 18 -4.349 -12.072 -0.689 1.00 0.00 O ATOM 279 CB ARG A 18 -7.418 -11.593 0.680 1.00 0.00 C ATOM 280 CG ARG A 18 -6.965 -12.770 1.546 1.00 0.00 C ATOM 281 CD ARG A 18 -7.354 -12.512 3.002 1.00 0.00 C ATOM 282 NE ARG A 18 -7.252 -13.782 3.776 1.00 0.00 N ATOM 283 CZ ARG A 18 -7.949 -14.824 3.414 1.00 0.00 C ATOM 284 NH1 ARG A 18 -9.207 -14.687 3.093 1.00 0.00 N ATOM 285 NH2 ARG A 18 -7.389 -16.002 3.373 1.00 0.00 N ATOM 0 H ARG A 18 -7.622 -9.436 -0.580 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.517 -10.640 1.029 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -8.072 -10.936 1.253 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -7.995 -11.955 -0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.426 -13.693 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -5.886 -12.901 1.465 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.700 -11.756 3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.371 -12.122 3.054 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.638 -13.836 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.644 -13.766 3.125 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.753 -15.501 2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.406 -16.108 3.624 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.934 -16.816 3.090 1.00 0.00 H new ATOM 299 N VAL A 19 -6.090 -11.845 -2.007 1.00 0.00 N ATOM 300 CA VAL A 19 -5.431 -12.636 -3.085 1.00 0.00 C ATOM 301 C VAL A 19 -4.181 -11.899 -3.572 1.00 0.00 C ATOM 302 O VAL A 19 -3.180 -12.506 -3.900 1.00 0.00 O ATOM 303 CB VAL A 19 -6.400 -12.819 -4.254 1.00 0.00 C ATOM 304 CG1 VAL A 19 -5.865 -13.898 -5.197 1.00 0.00 C ATOM 305 CG2 VAL A 19 -7.770 -13.244 -3.719 1.00 0.00 C ATOM 0 H VAL A 19 -7.026 -11.505 -2.227 1.00 0.00 H new ATOM 0 HA VAL A 19 -5.148 -13.612 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 19 -6.496 -11.878 -4.796 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -6.556 -14.028 -6.030 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.889 -13.597 -5.578 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.768 -14.839 -4.655 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.461 -13.375 -4.552 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.673 -14.185 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.153 -12.476 -3.047 1.00 0.00 H new ATOM 315 N PHE A 20 -4.230 -10.597 -3.625 1.00 0.00 N ATOM 316 CA PHE A 20 -3.045 -9.826 -4.096 1.00 0.00 C ATOM 317 C PHE A 20 -1.892 -9.998 -3.102 1.00 0.00 C ATOM 318 O PHE A 20 -0.839 -10.499 -3.442 1.00 0.00 O ATOM 319 CB PHE A 20 -3.409 -8.343 -4.202 1.00 0.00 C ATOM 320 CG PHE A 20 -2.223 -7.575 -4.737 1.00 0.00 C ATOM 321 CD1 PHE A 20 -1.607 -7.979 -5.929 1.00 0.00 C ATOM 322 CD2 PHE A 20 -1.740 -6.459 -4.042 1.00 0.00 C ATOM 323 CE1 PHE A 20 -0.507 -7.269 -6.425 1.00 0.00 C ATOM 324 CE2 PHE A 20 -0.640 -5.747 -4.538 1.00 0.00 C ATOM 325 CZ PHE A 20 -0.023 -6.152 -5.730 1.00 0.00 C ATOM 0 H PHE A 20 -5.039 -10.033 -3.363 1.00 0.00 H new ATOM 0 HA PHE A 20 -2.739 -10.196 -5.074 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -4.268 -8.214 -4.861 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -3.696 -7.956 -3.224 1.00 0.00 H new ATOM 0 HD1 PHE A 20 -1.981 -8.839 -6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -2.215 -6.147 -3.124 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.031 -7.582 -7.343 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -0.267 -4.886 -4.002 1.00 0.00 H new ATOM 0 HZ PHE A 20 0.825 -5.604 -6.113 1.00 0.00 H new ATOM 335 N LEU A 21 -2.082 -9.584 -1.879 1.00 0.00 N ATOM 336 CA LEU A 21 -0.994 -9.723 -0.869 1.00 0.00 C ATOM 337 C LEU A 21 -0.532 -11.181 -0.813 1.00 0.00 C ATOM 338 O LEU A 21 0.597 -11.472 -0.474 1.00 0.00 O ATOM 339 CB LEU A 21 -1.517 -9.301 0.505 1.00 0.00 C ATOM 340 CG LEU A 21 -0.431 -8.520 1.245 1.00 0.00 C ATOM 341 CD1 LEU A 21 0.772 -9.431 1.498 1.00 0.00 C ATOM 342 CD2 LEU A 21 0.007 -7.326 0.395 1.00 0.00 C ATOM 0 H LEU A 21 -2.942 -9.156 -1.536 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.155 -9.087 -1.150 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.410 -8.686 0.393 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.805 -10.180 1.082 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.825 -8.165 2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.546 -8.874 2.026 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.462 -10.283 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.166 -9.786 0.546 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.781 -6.769 0.922 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.401 -7.682 -0.557 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -0.848 -6.675 0.213 1.00 0.00 H new ATOM 354 N GLU A 22 -1.398 -12.099 -1.144 1.00 0.00 N ATOM 355 CA GLU A 22 -1.009 -13.536 -1.109 1.00 0.00 C ATOM 356 C GLU A 22 -0.091 -13.846 -2.293 1.00 0.00 C ATOM 357 O GLU A 22 0.832 -14.628 -2.187 1.00 0.00 O ATOM 358 CB GLU A 22 -2.265 -14.406 -1.195 1.00 0.00 C ATOM 359 CG GLU A 22 -2.490 -15.110 0.145 1.00 0.00 C ATOM 360 CD GLU A 22 -3.991 -15.236 0.409 1.00 0.00 C ATOM 361 OE1 GLU A 22 -4.755 -14.618 -0.315 1.00 0.00 O ATOM 362 OE2 GLU A 22 -4.353 -15.948 1.332 1.00 0.00 O ATOM 0 H GLU A 22 -2.358 -11.916 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.483 -13.747 -0.178 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.130 -13.791 -1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.157 -15.142 -1.991 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.028 -16.097 0.131 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.015 -14.547 0.948 1.00 0.00 H new ATOM 369 N ARG A 23 -0.338 -13.238 -3.421 1.00 0.00 N ATOM 370 CA ARG A 23 0.521 -13.498 -4.611 1.00 0.00 C ATOM 371 C ARG A 23 1.845 -12.748 -4.459 1.00 0.00 C ATOM 372 O ARG A 23 2.840 -13.094 -5.065 1.00 0.00 O ATOM 373 CB ARG A 23 -0.198 -13.014 -5.871 1.00 0.00 C ATOM 374 CG ARG A 23 -0.418 -14.195 -6.817 1.00 0.00 C ATOM 375 CD ARG A 23 -0.184 -13.743 -8.260 1.00 0.00 C ATOM 376 NE ARG A 23 0.992 -14.466 -8.822 1.00 0.00 N ATOM 377 CZ ARG A 23 0.842 -15.661 -9.325 1.00 0.00 C ATOM 378 NH1 ARG A 23 -0.103 -16.444 -8.879 1.00 0.00 N ATOM 379 NH2 ARG A 23 1.637 -16.072 -10.274 1.00 0.00 N ATOM 0 H ARG A 23 -1.097 -12.573 -3.570 1.00 0.00 H new ATOM 0 HA ARG A 23 0.718 -14.567 -4.691 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -1.154 -12.563 -5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 23 0.392 -12.243 -6.366 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.262 -15.009 -6.565 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.431 -14.580 -6.705 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.070 -13.943 -8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.012 -12.667 -8.292 1.00 0.00 H new ATOM 0 HE ARG A 23 1.913 -14.027 -8.814 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.724 -16.122 -8.137 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.220 -17.378 -9.273 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.375 -15.460 -10.622 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.521 -17.006 -10.668 1.00 0.00 H new ATOM 393 N LEU A 24 1.867 -11.722 -3.652 1.00 0.00 N ATOM 394 CA LEU A 24 3.127 -10.951 -3.462 1.00 0.00 C ATOM 395 C LEU A 24 4.144 -11.814 -2.712 1.00 0.00 C ATOM 396 O LEU A 24 5.308 -11.863 -3.060 1.00 0.00 O ATOM 397 CB LEU A 24 2.835 -9.687 -2.652 1.00 0.00 C ATOM 398 CG LEU A 24 3.478 -8.481 -3.336 1.00 0.00 C ATOM 399 CD1 LEU A 24 2.424 -7.742 -4.164 1.00 0.00 C ATOM 400 CD2 LEU A 24 4.044 -7.536 -2.274 1.00 0.00 C ATOM 0 H LEU A 24 1.067 -11.385 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 24 3.533 -10.673 -4.435 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.759 -9.538 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.224 -9.794 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 24 4.282 -8.820 -3.989 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.882 -6.882 -4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.018 -8.414 -4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.620 -7.403 -3.511 1.00 0.00 H new ATOM 0 HD21 LEU A 24 4.503 -6.675 -2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.239 -7.198 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.794 -8.061 -1.682 1.00 0.00 H new ATOM 412 N GLU A 25 3.715 -12.497 -1.687 1.00 0.00 N ATOM 413 CA GLU A 25 4.659 -13.355 -0.918 1.00 0.00 C ATOM 414 C GLU A 25 5.070 -14.553 -1.776 1.00 0.00 C ATOM 415 O GLU A 25 6.023 -15.245 -1.478 1.00 0.00 O ATOM 416 CB GLU A 25 3.977 -13.849 0.359 1.00 0.00 C ATOM 417 CG GLU A 25 4.947 -14.727 1.150 1.00 0.00 C ATOM 418 CD GLU A 25 4.992 -14.257 2.605 1.00 0.00 C ATOM 419 OE1 GLU A 25 4.063 -13.582 3.018 1.00 0.00 O ATOM 420 OE2 GLU A 25 5.954 -14.580 3.282 1.00 0.00 O ATOM 0 H GLU A 25 2.753 -12.498 -1.349 1.00 0.00 H new ATOM 0 HA GLU A 25 5.544 -12.776 -0.654 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.660 -13.001 0.966 1.00 0.00 H new ATOM 0 HB3 GLU A 25 3.079 -14.415 0.109 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.631 -15.769 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.943 -14.675 0.709 1.00 0.00 H new ATOM 427 N GLN A 26 4.358 -14.803 -2.842 1.00 0.00 N ATOM 428 CA GLN A 26 4.710 -15.955 -3.719 1.00 0.00 C ATOM 429 C GLN A 26 6.053 -15.682 -4.399 1.00 0.00 C ATOM 430 O GLN A 26 6.956 -16.495 -4.363 1.00 0.00 O ATOM 431 CB GLN A 26 3.627 -16.135 -4.785 1.00 0.00 C ATOM 432 CG GLN A 26 3.209 -17.605 -4.848 1.00 0.00 C ATOM 433 CD GLN A 26 1.737 -17.736 -4.451 1.00 0.00 C ATOM 434 OE1 GLN A 26 1.421 -18.302 -3.424 1.00 0.00 O ATOM 435 NE2 GLN A 26 0.818 -17.232 -5.228 1.00 0.00 N ATOM 0 H GLN A 26 3.549 -14.260 -3.143 1.00 0.00 H new ATOM 0 HA GLN A 26 4.782 -16.862 -3.118 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.765 -15.511 -4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 26 4.001 -15.811 -5.756 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.361 -17.994 -5.855 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.831 -18.200 -4.179 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.084 -16.757 -6.090 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.166 -17.313 -4.973 1.00 0.00 H new ATOM 444 N SER A 27 6.190 -14.543 -5.021 1.00 0.00 N ATOM 445 CA SER A 27 7.474 -14.216 -5.704 1.00 0.00 C ATOM 446 C SER A 27 8.596 -14.135 -4.669 1.00 0.00 C ATOM 447 O SER A 27 9.658 -14.701 -4.844 1.00 0.00 O ATOM 448 CB SER A 27 7.342 -12.868 -6.416 1.00 0.00 C ATOM 449 OG SER A 27 6.821 -11.907 -5.508 1.00 0.00 O ATOM 0 H SER A 27 5.469 -13.825 -5.086 1.00 0.00 H new ATOM 0 HA SER A 27 7.706 -14.993 -6.432 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.314 -12.544 -6.789 1.00 0.00 H new ATOM 0 HB3 SER A 27 6.684 -12.963 -7.280 1.00 0.00 H new ATOM 0 HG SER A 27 6.737 -11.042 -5.960 1.00 0.00 H new ATOM 455 N GLY A 28 8.372 -13.436 -3.591 1.00 0.00 N ATOM 456 CA GLY A 28 9.427 -13.320 -2.545 1.00 0.00 C ATOM 457 C GLY A 28 9.898 -11.867 -2.453 1.00 0.00 C ATOM 458 O GLY A 28 9.179 -10.998 -2.001 1.00 0.00 O ATOM 0 H GLY A 28 7.504 -12.940 -3.389 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.037 -13.648 -1.582 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.267 -13.971 -2.787 1.00 0.00 H new ATOM 462 N LEU A 29 11.102 -11.595 -2.880 1.00 0.00 N ATOM 463 CA LEU A 29 11.617 -10.199 -2.816 1.00 0.00 C ATOM 464 C LEU A 29 11.521 -9.687 -1.378 1.00 0.00 C ATOM 465 O LEU A 29 10.909 -10.303 -0.528 1.00 0.00 O ATOM 466 CB LEU A 29 10.782 -9.303 -3.734 1.00 0.00 C ATOM 467 CG LEU A 29 11.701 -8.598 -4.733 1.00 0.00 C ATOM 468 CD1 LEU A 29 11.541 -9.234 -6.114 1.00 0.00 C ATOM 469 CD2 LEU A 29 11.327 -7.116 -4.810 1.00 0.00 C ATOM 0 H LEU A 29 11.750 -12.280 -3.270 1.00 0.00 H new ATOM 0 HA LEU A 29 12.657 -10.180 -3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.040 -9.899 -4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.237 -8.567 -3.143 1.00 0.00 H new ATOM 0 HG LEU A 29 12.736 -8.698 -4.406 1.00 0.00 H new ATOM 0 HD11 LEU A 29 12.196 -8.730 -6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.806 -10.290 -6.061 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.506 -9.136 -6.442 1.00 0.00 H new ATOM 0 HD21 LEU A 29 11.981 -6.612 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.292 -7.019 -5.137 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.441 -6.660 -3.826 1.00 0.00 H new ATOM 481 N GLU A 30 12.123 -8.562 -1.096 1.00 0.00 N ATOM 482 CA GLU A 30 12.066 -8.015 0.289 1.00 0.00 C ATOM 483 C GLU A 30 11.413 -6.631 0.264 1.00 0.00 C ATOM 484 O GLU A 30 11.785 -5.772 -0.513 1.00 0.00 O ATOM 485 CB GLU A 30 13.483 -7.900 0.854 1.00 0.00 C ATOM 486 CG GLU A 30 13.893 -9.234 1.482 1.00 0.00 C ATOM 487 CD GLU A 30 14.769 -8.973 2.709 1.00 0.00 C ATOM 488 OE1 GLU A 30 14.229 -8.550 3.718 1.00 0.00 O ATOM 489 OE2 GLU A 30 15.963 -9.202 2.619 1.00 0.00 O ATOM 0 H GLU A 30 12.650 -8.000 -1.764 1.00 0.00 H new ATOM 0 HA GLU A 30 11.479 -8.684 0.918 1.00 0.00 H new ATOM 0 HB2 GLU A 30 14.181 -7.629 0.062 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.525 -7.107 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.007 -9.801 1.768 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.437 -9.838 0.756 1.00 0.00 H new ATOM 496 N TRP A 31 10.444 -6.406 1.107 1.00 0.00 N ATOM 497 CA TRP A 31 9.771 -5.077 1.132 1.00 0.00 C ATOM 498 C TRP A 31 9.057 -4.891 2.472 1.00 0.00 C ATOM 499 O TRP A 31 8.591 -5.838 3.074 1.00 0.00 O ATOM 500 CB TRP A 31 8.749 -5.002 -0.005 1.00 0.00 C ATOM 501 CG TRP A 31 7.927 -6.251 -0.019 1.00 0.00 C ATOM 502 CD1 TRP A 31 8.069 -7.264 -0.903 1.00 0.00 C ATOM 503 CD2 TRP A 31 6.842 -6.637 0.875 1.00 0.00 C ATOM 504 NE1 TRP A 31 7.141 -8.248 -0.611 1.00 0.00 N ATOM 505 CE2 TRP A 31 6.361 -7.907 0.476 1.00 0.00 C ATOM 506 CE3 TRP A 31 6.233 -6.014 1.982 1.00 0.00 C ATOM 507 CZ2 TRP A 31 5.315 -8.537 1.152 1.00 0.00 C ATOM 508 CZ3 TRP A 31 5.179 -6.645 2.665 1.00 0.00 C ATOM 509 CH2 TRP A 31 4.721 -7.905 2.249 1.00 0.00 C ATOM 0 H TRP A 31 10.089 -7.085 1.780 1.00 0.00 H new ATOM 0 HA TRP A 31 10.515 -4.291 1.005 1.00 0.00 H new ATOM 0 HB2 TRP A 31 8.106 -4.132 0.127 1.00 0.00 H new ATOM 0 HB3 TRP A 31 9.260 -4.879 -0.960 1.00 0.00 H new ATOM 0 HD1 TRP A 31 8.790 -7.299 -1.707 1.00 0.00 H new ATOM 0 HE1 TRP A 31 7.045 -9.118 -1.134 1.00 0.00 H new ATOM 0 HE3 TRP A 31 6.579 -5.044 2.308 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 4.966 -9.507 0.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 4.720 -6.159 3.513 1.00 0.00 H new ATOM 0 HH2 TRP A 31 3.910 -8.386 2.776 1.00 0.00 H new ATOM 520 N ARG A 32 8.967 -3.678 2.943 1.00 0.00 N ATOM 521 CA ARG A 32 8.282 -3.433 4.244 1.00 0.00 C ATOM 522 C ARG A 32 7.315 -2.256 4.097 1.00 0.00 C ATOM 523 O ARG A 32 7.477 -1.428 3.223 1.00 0.00 O ATOM 524 CB ARG A 32 9.325 -3.107 5.315 1.00 0.00 C ATOM 525 CG ARG A 32 10.219 -4.326 5.547 1.00 0.00 C ATOM 526 CD ARG A 32 11.052 -4.115 6.812 1.00 0.00 C ATOM 527 NE ARG A 32 12.243 -3.280 6.489 1.00 0.00 N ATOM 528 CZ ARG A 32 13.178 -3.106 7.383 1.00 0.00 C ATOM 529 NH1 ARG A 32 13.975 -4.092 7.694 1.00 0.00 N ATOM 530 NH2 ARG A 32 13.317 -1.946 7.964 1.00 0.00 N ATOM 0 H ARG A 32 9.338 -2.846 2.484 1.00 0.00 H new ATOM 0 HA ARG A 32 7.727 -4.324 4.537 1.00 0.00 H new ATOM 0 HB2 ARG A 32 9.928 -2.255 5.002 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.831 -2.824 6.244 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.609 -5.224 5.646 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.874 -4.479 4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.450 -3.628 7.579 1.00 0.00 H new ATOM 0 HD3 ARG A 32 11.368 -5.076 7.217 1.00 0.00 H new ATOM 0 HE ARG A 32 12.328 -2.845 5.570 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.867 -4.998 7.238 1.00 0.00 H new ATOM 0 HH12 ARG A 32 14.706 -3.956 8.393 1.00 0.00 H new ATOM 0 HH21 ARG A 32 12.695 -1.175 7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 32 14.048 -1.810 8.663 1.00 0.00 H new ATOM 544 N PRO A 33 6.335 -2.220 4.964 1.00 0.00 N ATOM 545 CA PRO A 33 5.316 -1.156 4.968 1.00 0.00 C ATOM 546 C PRO A 33 5.882 0.120 5.597 1.00 0.00 C ATOM 547 O PRO A 33 6.449 0.095 6.670 1.00 0.00 O ATOM 548 CB PRO A 33 4.192 -1.741 5.828 1.00 0.00 C ATOM 549 CG PRO A 33 4.842 -2.829 6.716 1.00 0.00 C ATOM 550 CD PRO A 33 6.155 -3.237 6.021 1.00 0.00 C ATOM 0 HA PRO A 33 4.979 -0.877 3.970 1.00 0.00 H new ATOM 0 HB2 PRO A 33 3.728 -0.967 6.439 1.00 0.00 H new ATOM 0 HB3 PRO A 33 3.407 -2.167 5.203 1.00 0.00 H new ATOM 0 HG2 PRO A 33 5.037 -2.446 7.718 1.00 0.00 H new ATOM 0 HG3 PRO A 33 4.179 -3.687 6.826 1.00 0.00 H new ATOM 0 HD2 PRO A 33 6.992 -3.238 6.719 1.00 0.00 H new ATOM 0 HD3 PRO A 33 6.089 -4.241 5.601 1.00 0.00 H new ATOM 558 N ALA A 34 5.734 1.236 4.935 1.00 0.00 N ATOM 559 CA ALA A 34 6.269 2.509 5.498 1.00 0.00 C ATOM 560 C ALA A 34 5.130 3.520 5.657 1.00 0.00 C ATOM 561 O ALA A 34 4.171 3.512 4.912 1.00 0.00 O ATOM 562 CB ALA A 34 7.329 3.079 4.553 1.00 0.00 C ATOM 0 H ALA A 34 5.267 1.321 4.032 1.00 0.00 H new ATOM 0 HA ALA A 34 6.717 2.313 6.472 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.720 4.010 4.964 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.142 2.361 4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.881 3.273 3.578 1.00 0.00 H new ATOM 568 N THR A 35 5.232 4.391 6.623 1.00 0.00 N ATOM 569 CA THR A 35 4.157 5.404 6.831 1.00 0.00 C ATOM 570 C THR A 35 3.785 6.033 5.485 1.00 0.00 C ATOM 571 O THR A 35 4.552 5.978 4.544 1.00 0.00 O ATOM 572 CB THR A 35 4.653 6.498 7.783 1.00 0.00 C ATOM 573 OG1 THR A 35 5.963 6.185 8.231 1.00 0.00 O ATOM 574 CG2 THR A 35 3.711 6.597 8.985 1.00 0.00 C ATOM 0 H THR A 35 6.013 4.446 7.277 1.00 0.00 H new ATOM 0 HA THR A 35 3.283 4.918 7.264 1.00 0.00 H new ATOM 0 HB THR A 35 4.671 7.452 7.256 1.00 0.00 H new ATOM 0 HG1 THR A 35 6.278 6.887 8.838 1.00 0.00 H new ATOM 0 HG21 THR A 35 4.065 7.375 9.661 1.00 0.00 H new ATOM 0 HG22 THR A 35 2.707 6.844 8.641 1.00 0.00 H new ATOM 0 HG23 THR A 35 3.690 5.642 9.510 1.00 0.00 H new ATOM 582 N PRO A 36 2.616 6.619 5.438 1.00 0.00 N ATOM 583 CA PRO A 36 2.104 7.276 4.222 1.00 0.00 C ATOM 584 C PRO A 36 2.761 8.648 4.045 1.00 0.00 C ATOM 585 O PRO A 36 2.480 9.365 3.105 1.00 0.00 O ATOM 586 CB PRO A 36 0.606 7.419 4.495 1.00 0.00 C ATOM 587 CG PRO A 36 0.435 7.366 6.033 1.00 0.00 C ATOM 588 CD PRO A 36 1.695 6.680 6.592 1.00 0.00 C ATOM 0 HA PRO A 36 2.313 6.717 3.310 1.00 0.00 H new ATOM 0 HB2 PRO A 36 0.226 8.359 4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 36 0.045 6.618 4.014 1.00 0.00 H new ATOM 0 HG2 PRO A 36 0.325 8.369 6.445 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -0.462 6.809 6.304 1.00 0.00 H new ATOM 0 HD2 PRO A 36 2.126 7.249 7.416 1.00 0.00 H new ATOM 0 HD3 PRO A 36 1.470 5.685 6.975 1.00 0.00 H new ATOM 596 N GLU A 37 3.635 9.018 4.940 1.00 0.00 N ATOM 597 CA GLU A 37 4.309 10.341 4.826 1.00 0.00 C ATOM 598 C GLU A 37 5.732 10.145 4.298 1.00 0.00 C ATOM 599 O GLU A 37 6.298 11.018 3.670 1.00 0.00 O ATOM 600 CB GLU A 37 4.365 11.004 6.203 1.00 0.00 C ATOM 601 CG GLU A 37 3.743 12.399 6.124 1.00 0.00 C ATOM 602 CD GLU A 37 4.853 13.452 6.103 1.00 0.00 C ATOM 603 OE1 GLU A 37 5.461 13.665 7.140 1.00 0.00 O ATOM 604 OE2 GLU A 37 5.078 14.027 5.051 1.00 0.00 O ATOM 0 H GLU A 37 3.912 8.459 5.747 1.00 0.00 H new ATOM 0 HA GLU A 37 3.750 10.975 4.138 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.830 10.397 6.933 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.398 11.074 6.543 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.129 12.485 5.228 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.086 12.565 6.978 1.00 0.00 H new ATOM 611 N ASP A 38 6.316 9.005 4.548 1.00 0.00 N ATOM 612 CA ASP A 38 7.701 8.753 4.062 1.00 0.00 C ATOM 613 C ASP A 38 7.751 7.402 3.345 1.00 0.00 C ATOM 614 O ASP A 38 8.724 6.680 3.428 1.00 0.00 O ATOM 615 CB ASP A 38 8.664 8.735 5.252 1.00 0.00 C ATOM 616 CG ASP A 38 9.376 10.085 5.354 1.00 0.00 C ATOM 617 OD1 ASP A 38 8.932 11.017 4.705 1.00 0.00 O ATOM 618 OD2 ASP A 38 10.354 10.163 6.079 1.00 0.00 O ATOM 0 H ASP A 38 5.893 8.237 5.069 1.00 0.00 H new ATOM 0 HA ASP A 38 7.993 9.543 3.370 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.117 8.530 6.172 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.394 7.935 5.130 1.00 0.00 H new ATOM 623 N ALA A 39 6.707 7.055 2.642 1.00 0.00 N ATOM 624 CA ALA A 39 6.694 5.751 1.922 1.00 0.00 C ATOM 625 C ALA A 39 7.419 5.898 0.583 1.00 0.00 C ATOM 626 O ALA A 39 6.997 6.637 -0.286 1.00 0.00 O ATOM 627 CB ALA A 39 5.246 5.322 1.673 1.00 0.00 C ATOM 0 H ALA A 39 5.863 7.618 2.536 1.00 0.00 H new ATOM 0 HA ALA A 39 7.199 4.998 2.527 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.235 4.368 1.146 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.729 5.216 2.627 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.742 6.076 1.069 1.00 0.00 H new ATOM 633 N ASP A 40 8.507 5.200 0.407 1.00 0.00 N ATOM 634 CA ASP A 40 9.257 5.301 -0.877 1.00 0.00 C ATOM 635 C ASP A 40 8.316 4.996 -2.044 1.00 0.00 C ATOM 636 O ASP A 40 8.412 5.586 -3.101 1.00 0.00 O ATOM 637 CB ASP A 40 10.411 4.294 -0.876 1.00 0.00 C ATOM 638 CG ASP A 40 11.699 4.991 -1.314 1.00 0.00 C ATOM 639 OD1 ASP A 40 12.055 5.981 -0.696 1.00 0.00 O ATOM 640 OD2 ASP A 40 12.310 4.523 -2.262 1.00 0.00 O ATOM 0 H ASP A 40 8.909 4.564 1.096 1.00 0.00 H new ATOM 0 HA ASP A 40 9.655 6.310 -0.985 1.00 0.00 H new ATOM 0 HB2 ASP A 40 10.536 3.869 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 40 10.186 3.467 -1.549 1.00 0.00 H new ATOM 645 N ALA A 41 7.409 4.075 -1.862 1.00 0.00 N ATOM 646 CA ALA A 41 6.467 3.733 -2.965 1.00 0.00 C ATOM 647 C ALA A 41 5.049 3.596 -2.408 1.00 0.00 C ATOM 648 O ALA A 41 4.839 3.043 -1.346 1.00 0.00 O ATOM 649 CB ALA A 41 6.891 2.410 -3.604 1.00 0.00 C ATOM 0 H ALA A 41 7.280 3.546 -1.000 1.00 0.00 H new ATOM 0 HA ALA A 41 6.486 4.525 -3.714 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.203 2.159 -4.411 1.00 0.00 H new ATOM 0 HB2 ALA A 41 7.900 2.506 -4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.873 1.621 -2.853 1.00 0.00 H new ATOM 655 N VAL A 42 4.072 4.092 -3.117 1.00 0.00 N ATOM 656 CA VAL A 42 2.668 3.987 -2.631 1.00 0.00 C ATOM 657 C VAL A 42 1.874 3.077 -3.570 1.00 0.00 C ATOM 658 O VAL A 42 2.140 3.008 -4.754 1.00 0.00 O ATOM 659 CB VAL A 42 2.031 5.376 -2.604 1.00 0.00 C ATOM 660 CG1 VAL A 42 0.658 5.295 -1.934 1.00 0.00 C ATOM 661 CG2 VAL A 42 2.926 6.333 -1.814 1.00 0.00 C ATOM 0 H VAL A 42 4.186 4.566 -4.013 1.00 0.00 H new ATOM 0 HA VAL A 42 2.661 3.568 -1.625 1.00 0.00 H new ATOM 0 HB VAL A 42 1.917 5.742 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.204 6.286 -1.915 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.019 4.613 -2.495 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.772 4.928 -0.914 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.472 7.324 -1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.040 5.966 -0.794 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.905 6.392 -2.290 1.00 0.00 H new ATOM 671 N ILE A 43 0.900 2.379 -3.053 1.00 0.00 N ATOM 672 CA ILE A 43 0.091 1.475 -3.921 1.00 0.00 C ATOM 673 C ILE A 43 -1.389 1.620 -3.567 1.00 0.00 C ATOM 674 O ILE A 43 -1.773 1.545 -2.416 1.00 0.00 O ATOM 675 CB ILE A 43 0.526 0.026 -3.698 1.00 0.00 C ATOM 676 CG1 ILE A 43 2.048 -0.034 -3.550 1.00 0.00 C ATOM 677 CG2 ILE A 43 0.100 -0.826 -4.895 1.00 0.00 C ATOM 678 CD1 ILE A 43 2.500 -1.496 -3.527 1.00 0.00 C ATOM 0 H ILE A 43 0.629 2.395 -2.070 1.00 0.00 H new ATOM 0 HA ILE A 43 0.245 1.744 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 43 0.056 -0.357 -2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.526 0.493 -4.376 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.355 0.467 -2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.410 -1.859 -4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.984 -0.785 -5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.570 -0.442 -5.801 1.00 0.00 H new ATOM 0 HD11 ILE A 43 3.584 -1.540 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 43 2.033 -2.008 -2.686 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.206 -1.982 -4.457 1.00 0.00 H new ATOM 690 N VAL A 44 -2.225 1.825 -4.546 1.00 0.00 N ATOM 691 CA VAL A 44 -3.680 1.972 -4.266 1.00 0.00 C ATOM 692 C VAL A 44 -4.448 0.861 -4.982 1.00 0.00 C ATOM 693 O VAL A 44 -4.268 0.628 -6.159 1.00 0.00 O ATOM 694 CB VAL A 44 -4.168 3.332 -4.770 1.00 0.00 C ATOM 695 CG1 VAL A 44 -5.344 3.802 -3.912 1.00 0.00 C ATOM 696 CG2 VAL A 44 -3.030 4.354 -4.674 1.00 0.00 C ATOM 0 H VAL A 44 -1.963 1.897 -5.529 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.850 1.903 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.487 3.239 -5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.692 4.771 -4.271 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.156 3.078 -3.979 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.024 3.893 -2.874 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -3.379 5.322 -5.033 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.710 4.446 -3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.190 4.022 -5.284 1.00 0.00 H new ATOM 706 N LEU A 45 -5.302 0.169 -4.279 1.00 0.00 N ATOM 707 CA LEU A 45 -6.080 -0.927 -4.921 1.00 0.00 C ATOM 708 C LEU A 45 -7.416 -0.378 -5.424 1.00 0.00 C ATOM 709 O LEU A 45 -8.152 0.254 -4.693 1.00 0.00 O ATOM 710 CB LEU A 45 -6.339 -2.033 -3.897 1.00 0.00 C ATOM 711 CG LEU A 45 -5.257 -3.107 -4.020 1.00 0.00 C ATOM 712 CD1 LEU A 45 -5.364 -3.785 -5.388 1.00 0.00 C ATOM 713 CD2 LEU A 45 -3.878 -2.460 -3.879 1.00 0.00 C ATOM 0 H LEU A 45 -5.494 0.315 -3.288 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.514 -1.331 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -6.340 -1.617 -2.889 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -7.323 -2.472 -4.062 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.392 -3.850 -3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.593 -4.550 -5.476 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -6.346 -4.246 -5.490 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.229 -3.042 -6.174 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.107 -3.225 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.743 -1.717 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.801 -1.977 -2.905 1.00 0.00 H new ATOM 725 N ALA A 46 -7.740 -0.614 -6.667 1.00 0.00 N ATOM 726 CA ALA A 46 -9.031 -0.101 -7.206 1.00 0.00 C ATOM 727 C ALA A 46 -10.142 -1.119 -6.933 1.00 0.00 C ATOM 728 O ALA A 46 -11.289 -0.904 -7.271 1.00 0.00 O ATOM 729 CB ALA A 46 -8.904 0.124 -8.714 1.00 0.00 C ATOM 0 H ALA A 46 -7.168 -1.138 -7.330 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.276 0.842 -6.718 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.849 0.499 -9.107 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.116 0.852 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.656 -0.818 -9.203 1.00 0.00 H new ATOM 735 N GLY A 47 -9.814 -2.225 -6.321 1.00 0.00 N ATOM 736 CA GLY A 47 -10.856 -3.251 -6.027 1.00 0.00 C ATOM 737 C GLY A 47 -11.839 -2.695 -4.996 1.00 0.00 C ATOM 738 O GLY A 47 -12.900 -3.244 -4.774 1.00 0.00 O ATOM 0 H GLY A 47 -8.871 -2.462 -6.012 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.385 -3.521 -6.941 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.390 -4.161 -5.648 1.00 0.00 H new ATOM 742 N LEU A 48 -11.493 -1.607 -4.364 1.00 0.00 N ATOM 743 CA LEU A 48 -12.405 -1.010 -3.347 1.00 0.00 C ATOM 744 C LEU A 48 -12.568 0.484 -3.632 1.00 0.00 C ATOM 745 O LEU A 48 -12.480 1.308 -2.744 1.00 0.00 O ATOM 746 CB LEU A 48 -11.807 -1.204 -1.953 1.00 0.00 C ATOM 747 CG LEU A 48 -10.344 -0.762 -1.959 1.00 0.00 C ATOM 748 CD1 LEU A 48 -10.036 0.005 -0.671 1.00 0.00 C ATOM 749 CD2 LEU A 48 -9.440 -1.994 -2.045 1.00 0.00 C ATOM 0 H LEU A 48 -10.617 -1.105 -4.508 1.00 0.00 H new ATOM 0 HA LEU A 48 -13.378 -1.498 -3.394 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.370 -0.625 -1.221 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.880 -2.250 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.164 -0.116 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.993 0.320 -0.676 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -10.680 0.882 -0.607 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.216 -0.640 0.189 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -8.396 -1.680 -2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.621 -2.639 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -9.658 -2.542 -2.962 1.00 0.00 H new ATOM 761 N TRP A 49 -12.800 0.838 -4.866 1.00 0.00 N ATOM 762 CA TRP A 49 -12.964 2.277 -5.213 1.00 0.00 C ATOM 763 C TRP A 49 -14.362 2.752 -4.808 1.00 0.00 C ATOM 764 O TRP A 49 -14.620 3.936 -4.713 1.00 0.00 O ATOM 765 CB TRP A 49 -12.785 2.455 -6.722 1.00 0.00 C ATOM 766 CG TRP A 49 -12.830 3.910 -7.062 1.00 0.00 C ATOM 767 CD1 TRP A 49 -13.958 4.618 -7.298 1.00 0.00 C ATOM 768 CD2 TRP A 49 -11.721 4.845 -7.208 1.00 0.00 C ATOM 769 NE1 TRP A 49 -13.612 5.928 -7.580 1.00 0.00 N ATOM 770 CE2 TRP A 49 -12.246 6.117 -7.537 1.00 0.00 C ATOM 771 CE3 TRP A 49 -10.325 4.711 -7.087 1.00 0.00 C ATOM 772 CZ2 TRP A 49 -11.413 7.219 -7.739 1.00 0.00 C ATOM 773 CZ3 TRP A 49 -9.484 5.819 -7.291 1.00 0.00 C ATOM 774 CH2 TRP A 49 -10.028 7.070 -7.617 1.00 0.00 C ATOM 0 H TRP A 49 -12.883 0.191 -5.650 1.00 0.00 H new ATOM 0 HA TRP A 49 -12.217 2.865 -4.680 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -11.835 2.026 -7.039 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -13.570 1.921 -7.257 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -14.964 4.225 -7.271 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -14.285 6.664 -7.794 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -9.898 3.751 -6.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -11.836 8.181 -7.988 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -8.414 5.706 -7.196 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -9.378 7.918 -7.774 1.00 0.00 H new ATOM 785 N GLY A 50 -15.267 1.842 -4.571 1.00 0.00 N ATOM 786 CA GLY A 50 -16.646 2.249 -4.179 1.00 0.00 C ATOM 787 C GLY A 50 -16.888 1.912 -2.705 1.00 0.00 C ATOM 788 O GLY A 50 -18.014 1.825 -2.258 1.00 0.00 O ATOM 0 H GLY A 50 -15.111 0.836 -4.632 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.780 3.318 -4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -17.378 1.736 -4.803 1.00 0.00 H new ATOM 792 N THR A 51 -15.843 1.723 -1.945 1.00 0.00 N ATOM 793 CA THR A 51 -16.024 1.393 -0.503 1.00 0.00 C ATOM 794 C THR A 51 -15.102 2.271 0.347 1.00 0.00 C ATOM 795 O THR A 51 -15.552 3.064 1.150 1.00 0.00 O ATOM 796 CB THR A 51 -15.685 -0.082 -0.269 1.00 0.00 C ATOM 797 OG1 THR A 51 -14.400 -0.362 -0.806 1.00 0.00 O ATOM 798 CG2 THR A 51 -16.730 -0.962 -0.955 1.00 0.00 C ATOM 0 H THR A 51 -14.875 1.783 -2.260 1.00 0.00 H new ATOM 0 HA THR A 51 -17.060 1.577 -0.219 1.00 0.00 H new ATOM 0 HB THR A 51 -15.685 -0.290 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 51 -14.181 -1.305 -0.656 1.00 0.00 H new ATOM 0 HG21 THR A 51 -16.488 -2.012 -0.788 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.715 -0.747 -0.541 1.00 0.00 H new ATOM 0 HG23 THR A 51 -16.733 -0.756 -2.025 1.00 0.00 H new ATOM 806 N ARG A 52 -13.815 2.137 0.177 1.00 0.00 N ATOM 807 CA ARG A 52 -12.867 2.964 0.977 1.00 0.00 C ATOM 808 C ARG A 52 -12.395 4.154 0.137 1.00 0.00 C ATOM 809 O ARG A 52 -11.257 4.572 0.220 1.00 0.00 O ATOM 810 CB ARG A 52 -11.661 2.112 1.376 1.00 0.00 C ATOM 811 CG ARG A 52 -11.314 2.374 2.844 1.00 0.00 C ATOM 812 CD ARG A 52 -11.008 1.047 3.541 1.00 0.00 C ATOM 813 NE ARG A 52 -12.133 0.694 4.453 1.00 0.00 N ATOM 814 CZ ARG A 52 -11.916 0.555 5.733 1.00 0.00 C ATOM 815 NH1 ARG A 52 -11.012 1.286 6.325 1.00 0.00 N ATOM 816 NH2 ARG A 52 -12.603 -0.315 6.421 1.00 0.00 N ATOM 0 H ARG A 52 -13.379 1.491 -0.481 1.00 0.00 H new ATOM 0 HA ARG A 52 -13.368 3.328 1.874 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -11.883 1.055 1.227 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -10.808 2.351 0.741 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -10.453 3.040 2.912 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -12.145 2.875 3.341 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.865 0.260 2.801 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.079 1.126 4.106 1.00 0.00 H new ATOM 0 HE ARG A 52 -13.072 0.561 4.077 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.474 1.966 5.788 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -10.843 1.177 7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.310 -0.887 5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -12.433 -0.423 7.421 1.00 0.00 H new ATOM 830 N ARG A 53 -13.260 4.699 -0.672 1.00 0.00 N ATOM 831 CA ARG A 53 -12.863 5.859 -1.519 1.00 0.00 C ATOM 832 C ARG A 53 -12.400 7.014 -0.627 1.00 0.00 C ATOM 833 O ARG A 53 -11.445 7.700 -0.931 1.00 0.00 O ATOM 834 CB ARG A 53 -14.063 6.307 -2.357 1.00 0.00 C ATOM 835 CG ARG A 53 -13.773 7.674 -2.981 1.00 0.00 C ATOM 836 CD ARG A 53 -14.934 8.074 -3.892 1.00 0.00 C ATOM 837 NE ARG A 53 -15.166 9.542 -3.787 1.00 0.00 N ATOM 838 CZ ARG A 53 -15.254 10.267 -4.867 1.00 0.00 C ATOM 839 NH1 ARG A 53 -14.196 10.476 -5.601 1.00 0.00 N ATOM 840 NH2 ARG A 53 -16.401 10.784 -5.214 1.00 0.00 N ATOM 0 H ARG A 53 -14.226 4.391 -0.784 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.046 5.566 -2.178 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -14.267 5.575 -3.139 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -14.955 6.363 -1.733 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -13.636 8.421 -2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -12.845 7.636 -3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -14.710 7.803 -4.924 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.836 7.531 -3.609 1.00 0.00 H new ATOM 0 HE ARG A 53 -15.256 9.980 -2.870 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -13.299 10.072 -5.330 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -14.265 11.043 -6.446 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -17.228 10.621 -4.640 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -16.470 11.351 -6.059 1.00 0.00 H new ATOM 854 N ASP A 54 -13.070 7.236 0.471 1.00 0.00 N ATOM 855 CA ASP A 54 -12.667 8.350 1.377 1.00 0.00 C ATOM 856 C ASP A 54 -11.190 8.203 1.748 1.00 0.00 C ATOM 857 O ASP A 54 -10.461 9.171 1.831 1.00 0.00 O ATOM 858 CB ASP A 54 -13.516 8.304 2.649 1.00 0.00 C ATOM 859 CG ASP A 54 -13.975 9.718 3.010 1.00 0.00 C ATOM 860 OD1 ASP A 54 -14.095 10.529 2.106 1.00 0.00 O ATOM 861 OD2 ASP A 54 -14.200 9.966 4.183 1.00 0.00 O ATOM 0 H ASP A 54 -13.878 6.695 0.780 1.00 0.00 H new ATOM 0 HA ASP A 54 -12.820 9.302 0.869 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -14.380 7.657 2.498 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -12.938 7.878 3.469 1.00 0.00 H new ATOM 866 N GLU A 55 -10.744 6.999 1.976 1.00 0.00 N ATOM 867 CA GLU A 55 -9.315 6.791 2.346 1.00 0.00 C ATOM 868 C GLU A 55 -8.424 6.999 1.120 1.00 0.00 C ATOM 869 O GLU A 55 -7.403 7.653 1.187 1.00 0.00 O ATOM 870 CB GLU A 55 -9.131 5.366 2.873 1.00 0.00 C ATOM 871 CG GLU A 55 -8.028 5.352 3.931 1.00 0.00 C ATOM 872 CD GLU A 55 -7.931 3.955 4.548 1.00 0.00 C ATOM 873 OE1 GLU A 55 -8.968 3.396 4.863 1.00 0.00 O ATOM 874 OE2 GLU A 55 -6.823 3.468 4.694 1.00 0.00 O ATOM 0 H GLU A 55 -11.307 6.150 1.922 1.00 0.00 H new ATOM 0 HA GLU A 55 -9.035 7.508 3.118 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -10.065 5.002 3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.873 4.695 2.054 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -7.075 5.630 3.482 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -8.242 6.089 4.705 1.00 0.00 H new ATOM 881 N ILE A 56 -8.798 6.443 -0.001 1.00 0.00 N ATOM 882 CA ILE A 56 -7.967 6.607 -1.228 1.00 0.00 C ATOM 883 C ILE A 56 -7.849 8.093 -1.576 1.00 0.00 C ATOM 884 O ILE A 56 -6.912 8.516 -2.224 1.00 0.00 O ATOM 885 CB ILE A 56 -8.621 5.855 -2.389 1.00 0.00 C ATOM 886 CG1 ILE A 56 -8.423 4.350 -2.192 1.00 0.00 C ATOM 887 CG2 ILE A 56 -7.975 6.283 -3.709 1.00 0.00 C ATOM 888 CD1 ILE A 56 -9.704 3.610 -2.579 1.00 0.00 C ATOM 0 H ILE A 56 -9.642 5.883 -0.120 1.00 0.00 H new ATOM 0 HA ILE A 56 -6.971 6.202 -1.049 1.00 0.00 H new ATOM 0 HB ILE A 56 -9.686 6.086 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -7.590 4.000 -2.802 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -8.169 4.139 -1.153 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -8.443 5.746 -4.534 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -8.112 7.355 -3.850 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -6.910 6.053 -3.684 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -9.562 2.539 -2.438 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -10.526 3.953 -1.951 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -9.938 3.811 -3.624 1.00 0.00 H new ATOM 900 N LEU A 57 -8.792 8.891 -1.154 1.00 0.00 N ATOM 901 CA LEU A 57 -8.729 10.346 -1.465 1.00 0.00 C ATOM 902 C LEU A 57 -7.598 10.992 -0.661 1.00 0.00 C ATOM 903 O LEU A 57 -6.710 11.614 -1.210 1.00 0.00 O ATOM 904 CB LEU A 57 -10.060 11.006 -1.098 1.00 0.00 C ATOM 905 CG LEU A 57 -11.014 10.930 -2.292 1.00 0.00 C ATOM 906 CD1 LEU A 57 -12.423 11.321 -1.846 1.00 0.00 C ATOM 907 CD2 LEU A 57 -10.540 11.891 -3.385 1.00 0.00 C ATOM 0 H LEU A 57 -9.602 8.598 -0.608 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.540 10.481 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -10.500 10.506 -0.235 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.897 12.046 -0.815 1.00 0.00 H new ATOM 0 HG LEU A 57 -11.026 9.912 -2.682 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -13.102 11.267 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -12.761 10.637 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.412 12.338 -1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -11.219 11.838 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.527 12.909 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -9.536 11.612 -3.704 1.00 0.00 H new ATOM 919 N GLY A 58 -7.622 10.848 0.635 1.00 0.00 N ATOM 920 CA GLY A 58 -6.548 11.453 1.474 1.00 0.00 C ATOM 921 C GLY A 58 -5.191 10.879 1.062 1.00 0.00 C ATOM 922 O GLY A 58 -4.167 11.518 1.201 1.00 0.00 O ATOM 0 H GLY A 58 -8.339 10.337 1.150 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.547 12.537 1.356 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.736 11.248 2.528 1.00 0.00 H new ATOM 926 N ALA A 59 -5.174 9.676 0.556 1.00 0.00 N ATOM 927 CA ALA A 59 -3.883 9.062 0.136 1.00 0.00 C ATOM 928 C ALA A 59 -3.350 9.792 -1.099 1.00 0.00 C ATOM 929 O ALA A 59 -2.220 10.240 -1.128 1.00 0.00 O ATOM 930 CB ALA A 59 -4.104 7.586 -0.199 1.00 0.00 C ATOM 0 H ALA A 59 -5.998 9.092 0.415 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.160 9.145 0.948 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -3.159 7.137 -0.506 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.484 7.066 0.681 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.827 7.501 -1.011 1.00 0.00 H new ATOM 936 N VAL A 60 -4.154 9.917 -2.119 1.00 0.00 N ATOM 937 CA VAL A 60 -3.692 10.620 -3.350 1.00 0.00 C ATOM 938 C VAL A 60 -3.216 12.027 -2.985 1.00 0.00 C ATOM 939 O VAL A 60 -2.251 12.525 -3.529 1.00 0.00 O ATOM 940 CB VAL A 60 -4.850 10.713 -4.344 1.00 0.00 C ATOM 941 CG1 VAL A 60 -4.366 11.382 -5.632 1.00 0.00 C ATOM 942 CG2 VAL A 60 -5.361 9.306 -4.662 1.00 0.00 C ATOM 0 H VAL A 60 -5.110 9.563 -2.154 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.869 10.066 -3.801 1.00 0.00 H new ATOM 0 HB VAL A 60 -5.656 11.304 -3.909 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.192 11.448 -6.340 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.000 12.384 -5.406 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.560 10.791 -6.068 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.187 9.370 -5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.555 8.716 -5.097 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.706 8.828 -3.745 1.00 0.00 H new ATOM 952 N ASP A 61 -3.883 12.671 -2.067 1.00 0.00 N ATOM 953 CA ASP A 61 -3.466 14.045 -1.668 1.00 0.00 C ATOM 954 C ASP A 61 -2.108 13.978 -0.967 1.00 0.00 C ATOM 955 O ASP A 61 -1.256 14.823 -1.157 1.00 0.00 O ATOM 956 CB ASP A 61 -4.503 14.638 -0.714 1.00 0.00 C ATOM 957 CG ASP A 61 -5.607 15.324 -1.521 1.00 0.00 C ATOM 958 OD1 ASP A 61 -5.383 16.438 -1.967 1.00 0.00 O ATOM 959 OD2 ASP A 61 -6.657 14.724 -1.681 1.00 0.00 O ATOM 0 H ASP A 61 -4.699 12.305 -1.576 1.00 0.00 H new ATOM 0 HA ASP A 61 -3.389 14.674 -2.555 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.929 13.853 -0.090 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.028 15.355 -0.044 1.00 0.00 H new ATOM 964 N LEU A 62 -1.898 12.975 -0.157 1.00 0.00 N ATOM 965 CA LEU A 62 -0.595 12.854 0.556 1.00 0.00 C ATOM 966 C LEU A 62 0.523 12.648 -0.468 1.00 0.00 C ATOM 967 O LEU A 62 1.646 13.069 -0.267 1.00 0.00 O ATOM 968 CB LEU A 62 -0.646 11.658 1.509 1.00 0.00 C ATOM 969 CG LEU A 62 -1.169 12.115 2.872 1.00 0.00 C ATOM 970 CD1 LEU A 62 -1.363 10.898 3.778 1.00 0.00 C ATOM 971 CD2 LEU A 62 -0.159 13.070 3.510 1.00 0.00 C ATOM 0 H LEU A 62 -2.572 12.235 0.041 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.403 13.762 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.293 10.881 1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.347 11.222 1.616 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.123 12.627 2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.736 11.223 4.749 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.082 10.217 3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.410 10.386 3.908 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.530 13.397 4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.794 12.558 3.639 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.020 13.937 2.864 1.00 0.00 H new ATOM 983 N ALA A 63 0.227 12.006 -1.565 1.00 0.00 N ATOM 984 CA ALA A 63 1.272 11.779 -2.600 1.00 0.00 C ATOM 985 C ALA A 63 1.555 13.093 -3.329 1.00 0.00 C ATOM 986 O ALA A 63 2.691 13.451 -3.568 1.00 0.00 O ATOM 987 CB ALA A 63 0.779 10.733 -3.603 1.00 0.00 C ATOM 0 H ALA A 63 -0.694 11.629 -1.788 1.00 0.00 H new ATOM 0 HA ALA A 63 2.185 11.421 -2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.544 10.567 -4.361 1.00 0.00 H new ATOM 0 HB2 ALA A 63 0.575 9.797 -3.082 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -0.134 11.089 -4.081 1.00 0.00 H new ATOM 993 N ARG A 64 0.529 13.818 -3.681 1.00 0.00 N ATOM 994 CA ARG A 64 0.738 15.111 -4.389 1.00 0.00 C ATOM 995 C ARG A 64 1.361 16.122 -3.426 1.00 0.00 C ATOM 996 O ARG A 64 1.773 17.196 -3.819 1.00 0.00 O ATOM 997 CB ARG A 64 -0.608 15.644 -4.886 1.00 0.00 C ATOM 998 CG ARG A 64 -1.210 14.660 -5.891 1.00 0.00 C ATOM 999 CD ARG A 64 -2.462 15.275 -6.521 1.00 0.00 C ATOM 1000 NE ARG A 64 -2.060 16.251 -7.572 1.00 0.00 N ATOM 1001 CZ ARG A 64 -2.666 16.251 -8.729 1.00 0.00 C ATOM 1002 NH1 ARG A 64 -3.028 15.123 -9.275 1.00 0.00 N ATOM 1003 NH2 ARG A 64 -2.909 17.379 -9.339 1.00 0.00 N ATOM 0 H ARG A 64 -0.445 13.570 -3.509 1.00 0.00 H new ATOM 0 HA ARG A 64 1.404 14.958 -5.238 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -1.288 15.783 -4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.474 16.620 -5.353 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -0.480 14.422 -6.665 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -1.463 13.724 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -3.085 14.493 -6.955 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -3.060 15.772 -5.757 1.00 0.00 H new ATOM 0 HE ARG A 64 -1.312 16.919 -7.388 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -2.838 14.241 -8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.501 15.122 -10.179 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -2.626 18.261 -8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -3.382 17.379 -10.243 1.00 0.00 H new ATOM 1017 N LYS A 65 1.434 15.788 -2.167 1.00 0.00 N ATOM 1018 CA LYS A 65 2.030 16.731 -1.179 1.00 0.00 C ATOM 1019 C LYS A 65 3.490 17.001 -1.547 1.00 0.00 C ATOM 1020 O LYS A 65 4.098 17.937 -1.068 1.00 0.00 O ATOM 1021 CB LYS A 65 1.963 16.113 0.220 1.00 0.00 C ATOM 1022 CG LYS A 65 1.155 17.025 1.146 1.00 0.00 C ATOM 1023 CD LYS A 65 0.942 16.327 2.492 1.00 0.00 C ATOM 1024 CE LYS A 65 1.519 17.194 3.613 1.00 0.00 C ATOM 1025 NZ LYS A 65 2.991 16.980 3.701 1.00 0.00 N ATOM 0 H LYS A 65 1.107 14.903 -1.780 1.00 0.00 H new ATOM 0 HA LYS A 65 1.473 17.668 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.502 15.127 0.171 1.00 0.00 H new ATOM 0 HB3 LYS A 65 2.969 15.975 0.616 1.00 0.00 H new ATOM 0 HG2 LYS A 65 1.680 17.969 1.293 1.00 0.00 H new ATOM 0 HG3 LYS A 65 0.193 17.263 0.691 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.121 16.156 2.661 1.00 0.00 H new ATOM 0 HD3 LYS A 65 1.425 15.350 2.488 1.00 0.00 H new ATOM 0 HE2 LYS A 65 1.305 18.245 3.421 1.00 0.00 H new ATOM 0 HE3 LYS A 65 1.047 16.941 4.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 3.383 17.570 4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 3.185 15.979 3.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 3.435 17.242 2.798 1.00 0.00 H new ATOM 1039 N SER A 66 4.059 16.188 -2.395 1.00 0.00 N ATOM 1040 CA SER A 66 5.480 16.399 -2.790 1.00 0.00 C ATOM 1041 C SER A 66 5.712 15.826 -4.190 1.00 0.00 C ATOM 1042 O SER A 66 5.817 16.551 -5.159 1.00 0.00 O ATOM 1043 CB SER A 66 6.395 15.693 -1.791 1.00 0.00 C ATOM 1044 OG SER A 66 6.440 16.442 -0.584 1.00 0.00 O ATOM 0 H SER A 66 3.601 15.387 -2.831 1.00 0.00 H new ATOM 0 HA SER A 66 5.702 17.466 -2.795 1.00 0.00 H new ATOM 0 HB2 SER A 66 6.028 14.686 -1.594 1.00 0.00 H new ATOM 0 HB3 SER A 66 7.397 15.592 -2.207 1.00 0.00 H new ATOM 0 HG SER A 66 5.744 17.131 -0.601 1.00 0.00 H new ATOM 1050 N SER A 67 5.797 14.529 -4.301 1.00 0.00 N ATOM 1051 CA SER A 67 6.024 13.910 -5.638 1.00 0.00 C ATOM 1052 C SER A 67 6.342 12.424 -5.461 1.00 0.00 C ATOM 1053 O SER A 67 7.337 11.929 -5.953 1.00 0.00 O ATOM 1054 CB SER A 67 7.198 14.604 -6.328 1.00 0.00 C ATOM 1055 OG SER A 67 6.717 15.351 -7.437 1.00 0.00 O ATOM 0 H SER A 67 5.719 13.872 -3.525 1.00 0.00 H new ATOM 0 HA SER A 67 5.128 14.021 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.710 15.262 -5.626 1.00 0.00 H new ATOM 0 HB3 SER A 67 7.927 13.865 -6.661 1.00 0.00 H new ATOM 0 HG SER A 67 6.131 16.069 -7.118 1.00 0.00 H new ATOM 1061 N LYS A 68 5.506 11.709 -4.759 1.00 0.00 N ATOM 1062 CA LYS A 68 5.760 10.256 -4.548 1.00 0.00 C ATOM 1063 C LYS A 68 5.181 9.458 -5.720 1.00 0.00 C ATOM 1064 O LYS A 68 4.275 9.913 -6.390 1.00 0.00 O ATOM 1065 CB LYS A 68 5.092 9.806 -3.246 1.00 0.00 C ATOM 1066 CG LYS A 68 6.019 10.101 -2.066 1.00 0.00 C ATOM 1067 CD LYS A 68 5.270 10.936 -1.024 1.00 0.00 C ATOM 1068 CE LYS A 68 4.886 10.049 0.162 1.00 0.00 C ATOM 1069 NZ LYS A 68 6.120 9.603 0.870 1.00 0.00 N ATOM 0 H LYS A 68 4.657 12.069 -4.322 1.00 0.00 H new ATOM 0 HA LYS A 68 6.834 10.081 -4.486 1.00 0.00 H new ATOM 0 HB2 LYS A 68 4.142 10.325 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 68 4.869 8.740 -3.289 1.00 0.00 H new ATOM 0 HG2 LYS A 68 6.365 9.169 -1.620 1.00 0.00 H new ATOM 0 HG3 LYS A 68 6.903 10.637 -2.410 1.00 0.00 H new ATOM 0 HD2 LYS A 68 5.896 11.762 -0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 68 4.376 11.374 -1.468 1.00 0.00 H new ATOM 0 HE2 LYS A 68 4.240 10.599 0.846 1.00 0.00 H new ATOM 0 HE3 LYS A 68 4.321 9.184 -0.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 5.898 9.414 1.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 6.481 8.735 0.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 6.843 10.349 0.811 1.00 0.00 H new ATOM 1083 N PRO A 69 5.727 8.287 -5.931 1.00 0.00 N ATOM 1084 CA PRO A 69 5.289 7.390 -7.014 1.00 0.00 C ATOM 1085 C PRO A 69 3.998 6.667 -6.621 1.00 0.00 C ATOM 1086 O PRO A 69 3.977 5.866 -5.707 1.00 0.00 O ATOM 1087 CB PRO A 69 6.450 6.400 -7.149 1.00 0.00 C ATOM 1088 CG PRO A 69 7.204 6.424 -5.798 1.00 0.00 C ATOM 1089 CD PRO A 69 6.828 7.749 -5.107 1.00 0.00 C ATOM 0 HA PRO A 69 5.071 7.914 -7.944 1.00 0.00 H new ATOM 0 HB2 PRO A 69 6.082 5.398 -7.371 1.00 0.00 H new ATOM 0 HB3 PRO A 69 7.111 6.686 -7.968 1.00 0.00 H new ATOM 0 HG2 PRO A 69 6.921 5.571 -5.181 1.00 0.00 H new ATOM 0 HG3 PRO A 69 8.281 6.361 -5.954 1.00 0.00 H new ATOM 0 HD2 PRO A 69 6.511 7.585 -4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.674 8.436 -5.075 1.00 0.00 H new ATOM 1097 N ILE A 70 2.920 6.943 -7.303 1.00 0.00 N ATOM 1098 CA ILE A 70 1.632 6.274 -6.967 1.00 0.00 C ATOM 1099 C ILE A 70 1.348 5.172 -7.991 1.00 0.00 C ATOM 1100 O ILE A 70 1.184 5.432 -9.166 1.00 0.00 O ATOM 1101 CB ILE A 70 0.500 7.302 -6.997 1.00 0.00 C ATOM 1102 CG1 ILE A 70 0.963 8.590 -6.312 1.00 0.00 C ATOM 1103 CG2 ILE A 70 -0.718 6.743 -6.261 1.00 0.00 C ATOM 1104 CD1 ILE A 70 0.850 9.759 -7.294 1.00 0.00 C ATOM 0 H ILE A 70 2.876 7.604 -8.079 1.00 0.00 H new ATOM 0 HA ILE A 70 1.699 5.837 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 70 0.232 7.516 -8.032 1.00 0.00 H new ATOM 0 HG12 ILE A 70 0.355 8.783 -5.428 1.00 0.00 H new ATOM 0 HG13 ILE A 70 1.994 8.484 -5.973 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -1.524 7.476 -6.283 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.048 5.826 -6.748 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -0.451 6.528 -5.226 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.180 10.677 -6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.477 9.565 -8.164 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.187 9.869 -7.611 1.00 0.00 H new ATOM 1116 N ILE A 71 1.288 3.944 -7.554 1.00 0.00 N ATOM 1117 CA ILE A 71 1.015 2.828 -8.503 1.00 0.00 C ATOM 1118 C ILE A 71 -0.374 2.248 -8.226 1.00 0.00 C ATOM 1119 O ILE A 71 -0.623 1.682 -7.180 1.00 0.00 O ATOM 1120 CB ILE A 71 2.068 1.733 -8.320 1.00 0.00 C ATOM 1121 CG1 ILE A 71 3.457 2.308 -8.610 1.00 0.00 C ATOM 1122 CG2 ILE A 71 1.783 0.582 -9.287 1.00 0.00 C ATOM 1123 CD1 ILE A 71 4.489 1.624 -7.710 1.00 0.00 C ATOM 0 H ILE A 71 1.416 3.665 -6.581 1.00 0.00 H new ATOM 0 HA ILE A 71 1.054 3.205 -9.525 1.00 0.00 H new ATOM 0 HB ILE A 71 2.032 1.364 -7.295 1.00 0.00 H new ATOM 0 HG12 ILE A 71 3.714 2.155 -9.658 1.00 0.00 H new ATOM 0 HG13 ILE A 71 3.461 3.384 -8.434 1.00 0.00 H new ATOM 0 HG21 ILE A 71 2.534 -0.198 -9.156 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.794 0.172 -9.083 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.818 0.951 -10.312 1.00 0.00 H new ATOM 0 HD11 ILE A 71 5.478 2.032 -7.915 1.00 0.00 H new ATOM 0 HD12 ILE A 71 4.234 1.800 -6.665 1.00 0.00 H new ATOM 0 HD13 ILE A 71 4.491 0.552 -7.908 1.00 0.00 H new ATOM 1135 N THR A 72 -1.281 2.380 -9.156 1.00 0.00 N ATOM 1136 CA THR A 72 -2.649 1.832 -8.943 1.00 0.00 C ATOM 1137 C THR A 72 -2.672 0.356 -9.350 1.00 0.00 C ATOM 1138 O THR A 72 -1.878 -0.085 -10.157 1.00 0.00 O ATOM 1139 CB THR A 72 -3.652 2.617 -9.794 1.00 0.00 C ATOM 1140 OG1 THR A 72 -4.973 2.309 -9.371 1.00 0.00 O ATOM 1141 CG2 THR A 72 -3.485 2.240 -11.267 1.00 0.00 C ATOM 0 H THR A 72 -1.133 2.843 -10.053 1.00 0.00 H new ATOM 0 HA THR A 72 -2.920 1.923 -7.891 1.00 0.00 H new ATOM 0 HB THR A 72 -3.471 3.685 -9.674 1.00 0.00 H new ATOM 0 HG1 THR A 72 -5.039 2.418 -8.399 1.00 0.00 H new ATOM 0 HG21 THR A 72 -4.200 2.800 -11.869 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.472 2.479 -11.591 1.00 0.00 H new ATOM 0 HG23 THR A 72 -3.664 1.172 -11.392 1.00 0.00 H new ATOM 1149 N VAL A 73 -3.571 -0.412 -8.798 1.00 0.00 N ATOM 1150 CA VAL A 73 -3.633 -1.856 -9.155 1.00 0.00 C ATOM 1151 C VAL A 73 -5.037 -2.207 -9.653 1.00 0.00 C ATOM 1152 O VAL A 73 -6.028 -1.900 -9.020 1.00 0.00 O ATOM 1153 CB VAL A 73 -3.302 -2.701 -7.923 1.00 0.00 C ATOM 1154 CG1 VAL A 73 -3.290 -4.181 -8.309 1.00 0.00 C ATOM 1155 CG2 VAL A 73 -1.923 -2.303 -7.389 1.00 0.00 C ATOM 0 H VAL A 73 -4.264 -0.102 -8.117 1.00 0.00 H new ATOM 0 HA VAL A 73 -2.910 -2.063 -9.944 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.054 -2.532 -7.153 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.054 -4.784 -7.432 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.270 -4.465 -8.692 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.537 -4.350 -9.079 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -1.685 -2.904 -6.511 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -1.171 -2.473 -8.160 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.929 -1.248 -7.115 1.00 0.00 H new ATOM 1165 N ARG A 74 -5.125 -2.851 -10.785 1.00 0.00 N ATOM 1166 CA ARG A 74 -6.460 -3.227 -11.330 1.00 0.00 C ATOM 1167 C ARG A 74 -7.211 -4.080 -10.304 1.00 0.00 C ATOM 1168 O ARG A 74 -6.604 -4.722 -9.470 1.00 0.00 O ATOM 1169 CB ARG A 74 -6.275 -4.032 -12.619 1.00 0.00 C ATOM 1170 CG ARG A 74 -6.194 -3.077 -13.812 1.00 0.00 C ATOM 1171 CD ARG A 74 -7.582 -2.923 -14.438 1.00 0.00 C ATOM 1172 NE ARG A 74 -7.440 -2.556 -15.876 1.00 0.00 N ATOM 1173 CZ ARG A 74 -8.501 -2.427 -16.624 1.00 0.00 C ATOM 1174 NH1 ARG A 74 -9.652 -2.880 -16.210 1.00 0.00 N ATOM 1175 NH2 ARG A 74 -8.411 -1.843 -17.788 1.00 0.00 N ATOM 0 H ARG A 74 -4.329 -3.133 -11.356 1.00 0.00 H new ATOM 0 HA ARG A 74 -7.032 -2.324 -11.541 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -5.367 -4.632 -12.558 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.107 -4.724 -12.750 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -5.819 -2.106 -13.489 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -5.491 -3.460 -14.551 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -8.141 -3.854 -14.343 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -8.148 -2.156 -13.910 1.00 0.00 H new ATOM 0 HE ARG A 74 -6.513 -2.406 -16.275 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -9.723 -3.336 -15.300 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -10.481 -2.778 -16.796 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -7.511 -1.488 -18.112 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -9.240 -1.742 -18.373 1.00 0.00 H new ATOM 1189 N PRO A 75 -8.515 -4.060 -10.399 1.00 0.00 N ATOM 1190 CA PRO A 75 -9.391 -4.823 -9.493 1.00 0.00 C ATOM 1191 C PRO A 75 -9.432 -6.296 -9.910 1.00 0.00 C ATOM 1192 O PRO A 75 -8.850 -6.689 -10.901 1.00 0.00 O ATOM 1193 CB PRO A 75 -10.759 -4.165 -9.677 1.00 0.00 C ATOM 1194 CG PRO A 75 -10.725 -3.465 -11.058 1.00 0.00 C ATOM 1195 CD PRO A 75 -9.240 -3.272 -11.418 1.00 0.00 C ATOM 0 HA PRO A 75 -9.055 -4.809 -8.456 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -11.556 -4.908 -9.638 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -10.954 -3.446 -8.882 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -11.231 -4.069 -11.811 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -11.242 -2.506 -11.019 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.025 -3.629 -12.425 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.956 -2.220 -11.385 1.00 0.00 H new ATOM 1203 N TYR A 76 -10.116 -7.116 -9.158 1.00 0.00 N ATOM 1204 CA TYR A 76 -10.194 -8.562 -9.509 1.00 0.00 C ATOM 1205 C TYR A 76 -11.059 -8.743 -10.759 1.00 0.00 C ATOM 1206 O TYR A 76 -10.581 -8.663 -11.873 1.00 0.00 O ATOM 1207 CB TYR A 76 -10.808 -9.336 -8.339 1.00 0.00 C ATOM 1208 CG TYR A 76 -11.170 -10.731 -8.787 1.00 0.00 C ATOM 1209 CD1 TYR A 76 -10.289 -11.456 -9.601 1.00 0.00 C ATOM 1210 CD2 TYR A 76 -12.386 -11.302 -8.388 1.00 0.00 C ATOM 1211 CE1 TYR A 76 -10.626 -12.751 -10.017 1.00 0.00 C ATOM 1212 CE2 TYR A 76 -12.722 -12.597 -8.804 1.00 0.00 C ATOM 1213 CZ TYR A 76 -11.842 -13.321 -9.618 1.00 0.00 C ATOM 1214 OH TYR A 76 -12.174 -14.597 -10.029 1.00 0.00 O ATOM 0 H TYR A 76 -10.624 -6.846 -8.316 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.192 -8.942 -9.710 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.102 -9.382 -7.510 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.695 -8.819 -7.974 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.351 -11.017 -9.907 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.064 -10.744 -7.760 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.948 -13.310 -10.645 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.659 -13.037 -8.497 1.00 0.00 H new ATOM 0 HH TYR A 76 -13.050 -14.841 -9.663 1.00 0.00 H new ATOM 1224 N GLY A 77 -12.331 -8.987 -10.585 1.00 0.00 N ATOM 1225 CA GLY A 77 -13.221 -9.174 -11.765 1.00 0.00 C ATOM 1226 C GLY A 77 -14.492 -8.344 -11.584 1.00 0.00 C ATOM 1227 O GLY A 77 -15.434 -8.762 -10.941 1.00 0.00 O ATOM 0 H GLY A 77 -12.790 -9.065 -9.678 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -12.703 -8.872 -12.675 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -13.476 -10.228 -11.878 1.00 0.00 H new ATOM 1231 N LEU A 78 -14.528 -7.168 -12.150 1.00 0.00 N ATOM 1232 CA LEU A 78 -15.737 -6.309 -12.013 1.00 0.00 C ATOM 1233 C LEU A 78 -15.506 -4.990 -12.752 1.00 0.00 C ATOM 1234 O LEU A 78 -16.411 -4.426 -13.334 1.00 0.00 O ATOM 1235 CB LEU A 78 -15.999 -6.024 -10.532 1.00 0.00 C ATOM 1236 CG LEU A 78 -17.407 -5.452 -10.363 1.00 0.00 C ATOM 1237 CD1 LEU A 78 -18.113 -6.163 -9.208 1.00 0.00 C ATOM 1238 CD2 LEU A 78 -17.313 -3.955 -10.057 1.00 0.00 C ATOM 0 H LEU A 78 -13.771 -6.765 -12.702 1.00 0.00 H new ATOM 0 HA LEU A 78 -16.598 -6.822 -12.440 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -15.895 -6.940 -9.951 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.261 -5.319 -10.150 1.00 0.00 H new ATOM 0 HG LEU A 78 -17.973 -5.603 -11.282 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -19.116 -5.755 -9.088 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -18.179 -7.230 -9.423 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -17.548 -6.012 -8.288 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -18.316 -3.545 -9.936 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.747 -3.806 -9.138 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.810 -3.446 -10.879 1.00 0.00 H new ATOM 1250 N GLU A 79 -14.299 -4.495 -12.732 1.00 0.00 N ATOM 1251 CA GLU A 79 -14.006 -3.214 -13.432 1.00 0.00 C ATOM 1252 C GLU A 79 -14.852 -2.095 -12.823 1.00 0.00 C ATOM 1253 O GLU A 79 -16.059 -2.197 -12.727 1.00 0.00 O ATOM 1254 CB GLU A 79 -14.340 -3.356 -14.917 1.00 0.00 C ATOM 1255 CG GLU A 79 -13.944 -4.754 -15.396 1.00 0.00 C ATOM 1256 CD GLU A 79 -14.427 -4.958 -16.834 1.00 0.00 C ATOM 1257 OE1 GLU A 79 -14.483 -3.983 -17.564 1.00 0.00 O ATOM 1258 OE2 GLU A 79 -14.731 -6.088 -17.180 1.00 0.00 O ATOM 0 H GLU A 79 -13.503 -4.923 -12.260 1.00 0.00 H new ATOM 0 HA GLU A 79 -12.949 -2.972 -13.320 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -15.406 -3.193 -15.079 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -13.810 -2.598 -15.494 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -12.862 -4.875 -15.344 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -14.381 -5.510 -14.744 1.00 0.00 H new ATOM 1265 N ASN A 80 -14.226 -1.029 -12.413 1.00 0.00 N ATOM 1266 CA ASN A 80 -14.987 0.100 -11.810 1.00 0.00 C ATOM 1267 C ASN A 80 -14.017 1.221 -11.429 1.00 0.00 C ATOM 1268 O ASN A 80 -14.142 1.838 -10.391 1.00 0.00 O ATOM 1269 CB ASN A 80 -15.720 -0.388 -10.559 1.00 0.00 C ATOM 1270 CG ASN A 80 -16.958 0.479 -10.323 1.00 0.00 C ATOM 1271 OD1 ASN A 80 -16.905 1.448 -9.592 1.00 0.00 O ATOM 1272 ND2 ASN A 80 -18.078 0.170 -10.916 1.00 0.00 N ATOM 0 H ASN A 80 -13.217 -0.890 -12.469 1.00 0.00 H new ATOM 0 HA ASN A 80 -15.713 0.476 -12.531 1.00 0.00 H new ATOM 0 HB2 ASN A 80 -16.011 -1.432 -10.679 1.00 0.00 H new ATOM 0 HB3 ASN A 80 -15.058 -0.339 -9.694 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -18.909 0.742 -10.766 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -18.123 -0.643 -11.530 1.00 0.00 H new ATOM 1279 N VAL A 81 -13.049 1.489 -12.264 1.00 0.00 N ATOM 1280 CA VAL A 81 -12.073 2.569 -11.949 1.00 0.00 C ATOM 1281 C VAL A 81 -12.384 3.799 -12.812 1.00 0.00 C ATOM 1282 O VAL A 81 -12.546 3.682 -14.010 1.00 0.00 O ATOM 1283 CB VAL A 81 -10.656 2.078 -12.256 1.00 0.00 C ATOM 1284 CG1 VAL A 81 -9.651 3.191 -11.955 1.00 0.00 C ATOM 1285 CG2 VAL A 81 -10.339 0.859 -11.387 1.00 0.00 C ATOM 0 H VAL A 81 -12.893 1.007 -13.149 1.00 0.00 H new ATOM 0 HA VAL A 81 -12.146 2.833 -10.894 1.00 0.00 H new ATOM 0 HB VAL A 81 -10.589 1.803 -13.309 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.643 2.840 -12.174 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -9.875 4.060 -12.573 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -9.718 3.467 -10.903 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.330 0.509 -11.605 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -10.408 1.135 -10.335 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -11.053 0.064 -11.601 1.00 0.00 H new ATOM 1295 N PRO A 82 -12.459 4.946 -12.180 1.00 0.00 N ATOM 1296 CA PRO A 82 -12.751 6.212 -12.874 1.00 0.00 C ATOM 1297 C PRO A 82 -11.499 6.727 -13.595 1.00 0.00 C ATOM 1298 O PRO A 82 -10.414 6.220 -13.388 1.00 0.00 O ATOM 1299 CB PRO A 82 -13.164 7.157 -11.742 1.00 0.00 C ATOM 1300 CG PRO A 82 -12.555 6.575 -10.444 1.00 0.00 C ATOM 1301 CD PRO A 82 -12.261 5.088 -10.722 1.00 0.00 C ATOM 0 HA PRO A 82 -13.521 6.115 -13.639 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.796 8.167 -11.925 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -14.249 7.222 -11.667 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.643 7.106 -10.172 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.247 6.683 -9.609 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.245 4.821 -10.430 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.934 4.438 -10.163 1.00 0.00 H new ATOM 1309 N PRO A 83 -11.692 7.719 -14.427 1.00 0.00 N ATOM 1310 CA PRO A 83 -10.599 8.327 -15.207 1.00 0.00 C ATOM 1311 C PRO A 83 -9.785 9.291 -14.339 1.00 0.00 C ATOM 1312 O PRO A 83 -8.734 9.757 -14.734 1.00 0.00 O ATOM 1313 CB PRO A 83 -11.332 9.082 -16.318 1.00 0.00 C ATOM 1314 CG PRO A 83 -12.767 9.341 -15.799 1.00 0.00 C ATOM 1315 CD PRO A 83 -13.018 8.325 -14.668 1.00 0.00 C ATOM 0 HA PRO A 83 -9.888 7.594 -15.589 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -10.827 10.020 -16.548 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -11.351 8.497 -17.237 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -12.867 10.362 -15.431 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -13.496 9.217 -16.599 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.402 8.813 -13.772 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -13.752 7.575 -14.962 1.00 0.00 H new ATOM 1323 N GLU A 84 -10.259 9.598 -13.163 1.00 0.00 N ATOM 1324 CA GLU A 84 -9.506 10.533 -12.280 1.00 0.00 C ATOM 1325 C GLU A 84 -8.400 9.772 -11.546 1.00 0.00 C ATOM 1326 O GLU A 84 -7.622 10.346 -10.811 1.00 0.00 O ATOM 1327 CB GLU A 84 -10.462 11.157 -11.260 1.00 0.00 C ATOM 1328 CG GLU A 84 -9.773 12.335 -10.568 1.00 0.00 C ATOM 1329 CD GLU A 84 -10.234 12.414 -9.111 1.00 0.00 C ATOM 1330 OE1 GLU A 84 -11.362 12.032 -8.845 1.00 0.00 O ATOM 1331 OE2 GLU A 84 -9.451 12.856 -8.287 1.00 0.00 O ATOM 0 H GLU A 84 -11.133 9.243 -12.776 1.00 0.00 H new ATOM 0 HA GLU A 84 -9.059 11.320 -12.887 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -11.371 11.495 -11.757 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.760 10.412 -10.522 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.691 12.213 -10.612 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -10.010 13.264 -11.086 1.00 0.00 H new ATOM 1338 N LEU A 85 -8.320 8.484 -11.741 1.00 0.00 N ATOM 1339 CA LEU A 85 -7.261 7.692 -11.057 1.00 0.00 C ATOM 1340 C LEU A 85 -6.275 7.164 -12.100 1.00 0.00 C ATOM 1341 O LEU A 85 -5.183 6.740 -11.780 1.00 0.00 O ATOM 1342 CB LEU A 85 -7.901 6.516 -10.316 1.00 0.00 C ATOM 1343 CG LEU A 85 -6.809 5.568 -9.815 1.00 0.00 C ATOM 1344 CD1 LEU A 85 -5.969 6.271 -8.749 1.00 0.00 C ATOM 1345 CD2 LEU A 85 -7.459 4.321 -9.210 1.00 0.00 C ATOM 0 H LEU A 85 -8.943 7.947 -12.345 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.734 8.324 -10.343 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -8.493 6.881 -9.477 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.583 5.983 -10.979 1.00 0.00 H new ATOM 0 HG LEU A 85 -6.168 5.280 -10.648 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -5.192 5.594 -8.393 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -5.507 7.160 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -6.608 6.560 -7.915 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.684 3.644 -8.852 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -8.099 4.612 -8.377 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -8.058 3.818 -9.969 1.00 0.00 H new ATOM 1357 N GLU A 86 -6.655 7.187 -13.348 1.00 0.00 N ATOM 1358 CA GLU A 86 -5.743 6.687 -14.414 1.00 0.00 C ATOM 1359 C GLU A 86 -4.751 7.789 -14.795 1.00 0.00 C ATOM 1360 O GLU A 86 -3.780 7.550 -15.486 1.00 0.00 O ATOM 1361 CB GLU A 86 -6.564 6.295 -15.645 1.00 0.00 C ATOM 1362 CG GLU A 86 -7.190 4.916 -15.425 1.00 0.00 C ATOM 1363 CD GLU A 86 -6.123 3.835 -15.608 1.00 0.00 C ATOM 1364 OE1 GLU A 86 -5.085 4.144 -16.170 1.00 0.00 O ATOM 1365 OE2 GLU A 86 -6.363 2.717 -15.184 1.00 0.00 O ATOM 0 H GLU A 86 -7.558 7.531 -13.675 1.00 0.00 H new ATOM 0 HA GLU A 86 -5.198 5.817 -14.047 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -7.344 7.035 -15.826 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -5.928 6.280 -16.530 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -7.617 4.854 -14.424 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -8.006 4.759 -16.130 1.00 0.00 H new ATOM 1372 N ALA A 87 -4.988 8.996 -14.355 1.00 0.00 N ATOM 1373 CA ALA A 87 -4.055 10.107 -14.701 1.00 0.00 C ATOM 1374 C ALA A 87 -3.115 10.380 -13.523 1.00 0.00 C ATOM 1375 O ALA A 87 -1.956 10.696 -13.705 1.00 0.00 O ATOM 1376 CB ALA A 87 -4.861 11.370 -15.012 1.00 0.00 C ATOM 0 H ALA A 87 -5.784 9.260 -13.774 1.00 0.00 H new ATOM 0 HA ALA A 87 -3.466 9.824 -15.573 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.180 12.183 -15.265 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.527 11.179 -15.854 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.451 11.649 -14.139 1.00 0.00 H new ATOM 1382 N VAL A 88 -3.604 10.266 -12.319 1.00 0.00 N ATOM 1383 CA VAL A 88 -2.735 10.526 -11.136 1.00 0.00 C ATOM 1384 C VAL A 88 -1.863 9.299 -10.856 1.00 0.00 C ATOM 1385 O VAL A 88 -0.805 9.401 -10.266 1.00 0.00 O ATOM 1386 CB VAL A 88 -3.609 10.820 -9.916 1.00 0.00 C ATOM 1387 CG1 VAL A 88 -4.595 11.939 -10.254 1.00 0.00 C ATOM 1388 CG2 VAL A 88 -4.385 9.560 -9.526 1.00 0.00 C ATOM 0 H VAL A 88 -4.566 10.005 -12.103 1.00 0.00 H new ATOM 0 HA VAL A 88 -2.095 11.384 -11.341 1.00 0.00 H new ATOM 0 HB VAL A 88 -2.977 11.129 -9.084 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -5.219 12.149 -9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -4.044 12.838 -10.532 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.226 11.629 -11.087 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -5.008 9.771 -8.656 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -5.017 9.250 -10.358 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -3.684 8.761 -9.285 1.00 0.00 H new ATOM 1398 N SER A 89 -2.295 8.141 -11.272 1.00 0.00 N ATOM 1399 CA SER A 89 -1.487 6.914 -11.026 1.00 0.00 C ATOM 1400 C SER A 89 -0.205 6.973 -11.860 1.00 0.00 C ATOM 1401 O SER A 89 -0.183 6.587 -13.012 1.00 0.00 O ATOM 1402 CB SER A 89 -2.299 5.681 -11.424 1.00 0.00 C ATOM 1403 OG SER A 89 -3.091 5.989 -12.564 1.00 0.00 O ATOM 0 H SER A 89 -3.172 7.991 -11.771 1.00 0.00 H new ATOM 0 HA SER A 89 -1.230 6.853 -9.968 1.00 0.00 H new ATOM 0 HB2 SER A 89 -1.632 4.848 -11.644 1.00 0.00 H new ATOM 0 HB3 SER A 89 -2.937 5.369 -10.597 1.00 0.00 H new ATOM 0 HG SER A 89 -3.983 6.275 -12.275 1.00 0.00 H new ATOM 1409 N SER A 90 0.864 7.453 -11.285 1.00 0.00 N ATOM 1410 CA SER A 90 2.145 7.539 -12.043 1.00 0.00 C ATOM 1411 C SER A 90 2.362 6.246 -12.832 1.00 0.00 C ATOM 1412 O SER A 90 2.915 6.252 -13.913 1.00 0.00 O ATOM 1413 CB SER A 90 3.303 7.737 -11.065 1.00 0.00 C ATOM 1414 OG SER A 90 3.230 9.043 -10.509 1.00 0.00 O ATOM 0 H SER A 90 0.906 7.789 -10.323 1.00 0.00 H new ATOM 0 HA SER A 90 2.101 8.382 -12.733 1.00 0.00 H new ATOM 0 HB2 SER A 90 3.257 6.989 -10.273 1.00 0.00 H new ATOM 0 HB3 SER A 90 4.255 7.600 -11.578 1.00 0.00 H new ATOM 0 HG SER A 90 3.970 9.173 -9.880 1.00 0.00 H new ATOM 1420 N GLU A 91 1.930 5.135 -12.300 1.00 0.00 N ATOM 1421 CA GLU A 91 2.114 3.844 -13.020 1.00 0.00 C ATOM 1422 C GLU A 91 0.930 2.923 -12.721 1.00 0.00 C ATOM 1423 O GLU A 91 0.247 3.078 -11.728 1.00 0.00 O ATOM 1424 CB GLU A 91 3.409 3.177 -12.548 1.00 0.00 C ATOM 1425 CG GLU A 91 4.175 2.634 -13.755 1.00 0.00 C ATOM 1426 CD GLU A 91 4.076 1.106 -13.775 1.00 0.00 C ATOM 1427 OE1 GLU A 91 3.032 0.596 -13.406 1.00 0.00 O ATOM 1428 OE2 GLU A 91 5.046 0.475 -14.162 1.00 0.00 O ATOM 0 H GLU A 91 1.458 5.066 -11.398 1.00 0.00 H new ATOM 0 HA GLU A 91 2.170 4.030 -14.093 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.024 3.896 -12.007 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.181 2.367 -11.855 1.00 0.00 H new ATOM 0 HG2 GLU A 91 3.765 3.048 -14.676 1.00 0.00 H new ATOM 0 HG3 GLU A 91 5.220 2.941 -13.705 1.00 0.00 H new ATOM 1435 N VAL A 92 0.683 1.965 -13.571 1.00 0.00 N ATOM 1436 CA VAL A 92 -0.456 1.034 -13.332 1.00 0.00 C ATOM 1437 C VAL A 92 0.052 -0.407 -13.378 1.00 0.00 C ATOM 1438 O VAL A 92 0.949 -0.736 -14.128 1.00 0.00 O ATOM 1439 CB VAL A 92 -1.517 1.235 -14.415 1.00 0.00 C ATOM 1440 CG1 VAL A 92 -0.935 0.858 -15.778 1.00 0.00 C ATOM 1441 CG2 VAL A 92 -2.726 0.344 -14.116 1.00 0.00 C ATOM 0 H VAL A 92 1.220 1.786 -14.420 1.00 0.00 H new ATOM 0 HA VAL A 92 -0.894 1.237 -12.355 1.00 0.00 H new ATOM 0 HB VAL A 92 -1.827 2.280 -14.428 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -1.692 1.002 -16.549 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -0.073 1.490 -15.993 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.624 -0.187 -15.765 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -3.483 0.487 -14.887 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.414 -0.700 -14.103 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.143 0.611 -13.145 1.00 0.00 H new ATOM 1451 N VAL A 93 -0.514 -1.272 -12.580 1.00 0.00 N ATOM 1452 CA VAL A 93 -0.061 -2.689 -12.581 1.00 0.00 C ATOM 1453 C VAL A 93 -1.270 -3.613 -12.730 1.00 0.00 C ATOM 1454 O VAL A 93 -2.352 -3.317 -12.261 1.00 0.00 O ATOM 1455 CB VAL A 93 0.655 -2.997 -11.267 1.00 0.00 C ATOM 1456 CG1 VAL A 93 1.064 -4.470 -11.240 1.00 0.00 C ATOM 1457 CG2 VAL A 93 1.904 -2.120 -11.151 1.00 0.00 C ATOM 0 H VAL A 93 -1.269 -1.057 -11.929 1.00 0.00 H new ATOM 0 HA VAL A 93 0.623 -2.849 -13.414 1.00 0.00 H new ATOM 0 HB VAL A 93 -0.015 -2.791 -10.432 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.575 -4.689 -10.302 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.176 -5.096 -11.324 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.734 -4.677 -12.075 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.416 -2.338 -10.214 1.00 0.00 H new ATOM 0 HG22 VAL A 93 2.573 -2.327 -11.987 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.614 -1.069 -11.170 1.00 0.00 H new ATOM 1467 N GLY A 94 -1.097 -4.731 -13.379 1.00 0.00 N ATOM 1468 CA GLY A 94 -2.234 -5.675 -13.557 1.00 0.00 C ATOM 1469 C GLY A 94 -2.039 -6.882 -12.640 1.00 0.00 C ATOM 1470 O GLY A 94 -1.432 -6.787 -11.592 1.00 0.00 O ATOM 0 H GLY A 94 -0.215 -5.032 -13.794 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -3.175 -5.176 -13.325 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -2.293 -5.999 -14.596 1.00 0.00 H new ATOM 1474 N TRP A 95 -2.547 -8.021 -13.025 1.00 0.00 N ATOM 1475 CA TRP A 95 -2.387 -9.234 -12.174 1.00 0.00 C ATOM 1476 C TRP A 95 -1.216 -10.069 -12.697 1.00 0.00 C ATOM 1477 O TRP A 95 -1.302 -11.277 -12.804 1.00 0.00 O ATOM 1478 CB TRP A 95 -3.670 -10.065 -12.225 1.00 0.00 C ATOM 1479 CG TRP A 95 -4.641 -9.546 -11.213 1.00 0.00 C ATOM 1480 CD1 TRP A 95 -5.468 -8.492 -11.400 1.00 0.00 C ATOM 1481 CD2 TRP A 95 -4.899 -10.038 -9.867 1.00 0.00 C ATOM 1482 NE1 TRP A 95 -6.219 -8.305 -10.253 1.00 0.00 N ATOM 1483 CE2 TRP A 95 -5.905 -9.233 -9.280 1.00 0.00 C ATOM 1484 CE3 TRP A 95 -4.365 -11.095 -9.105 1.00 0.00 C ATOM 1485 CZ2 TRP A 95 -6.362 -9.469 -7.982 1.00 0.00 C ATOM 1486 CZ3 TRP A 95 -4.823 -11.335 -7.800 1.00 0.00 C ATOM 1487 CH2 TRP A 95 -5.821 -10.523 -7.239 1.00 0.00 C ATOM 0 H TRP A 95 -3.066 -8.164 -13.892 1.00 0.00 H new ATOM 0 HA TRP A 95 -2.190 -8.935 -11.145 1.00 0.00 H new ATOM 0 HB2 TRP A 95 -4.107 -10.017 -13.222 1.00 0.00 H new ATOM 0 HB3 TRP A 95 -3.445 -11.113 -12.025 1.00 0.00 H new ATOM 0 HD1 TRP A 95 -5.532 -7.894 -12.297 1.00 0.00 H new ATOM 0 HE1 TRP A 95 -6.919 -7.572 -10.140 1.00 0.00 H new ATOM 0 HE3 TRP A 95 -3.597 -11.726 -9.528 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 -7.129 -8.841 -7.554 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 -4.406 -12.148 -7.225 1.00 0.00 H new ATOM 0 HH2 TRP A 95 -6.171 -10.712 -6.235 1.00 0.00 H new ATOM 1498 N ASN A 96 -0.125 -9.436 -13.028 1.00 0.00 N ATOM 1499 CA ASN A 96 1.048 -10.192 -13.546 1.00 0.00 C ATOM 1500 C ASN A 96 2.135 -10.259 -12.470 1.00 0.00 C ATOM 1501 O ASN A 96 2.244 -9.372 -11.646 1.00 0.00 O ATOM 1502 CB ASN A 96 1.601 -9.485 -14.785 1.00 0.00 C ATOM 1503 CG ASN A 96 1.400 -10.373 -16.014 1.00 0.00 C ATOM 1504 OD1 ASN A 96 0.295 -10.787 -16.305 1.00 0.00 O ATOM 1505 ND2 ASN A 96 2.429 -10.684 -16.753 1.00 0.00 N ATOM 0 H ASN A 96 0.005 -8.426 -12.962 1.00 0.00 H new ATOM 0 HA ASN A 96 0.738 -11.203 -13.809 1.00 0.00 H new ATOM 0 HB2 ASN A 96 1.096 -8.530 -14.927 1.00 0.00 H new ATOM 0 HB3 ASN A 96 2.661 -9.268 -14.650 1.00 0.00 H new ATOM 0 HD21 ASN A 96 2.306 -11.275 -17.575 1.00 0.00 H new ATOM 0 HD22 ASN A 96 3.356 -10.336 -16.508 1.00 0.00 H new ATOM 1512 N PRO A 97 2.909 -11.313 -12.512 1.00 0.00 N ATOM 1513 CA PRO A 97 4.005 -11.535 -11.553 1.00 0.00 C ATOM 1514 C PRO A 97 5.219 -10.677 -11.924 1.00 0.00 C ATOM 1515 O PRO A 97 5.791 -9.999 -11.093 1.00 0.00 O ATOM 1516 CB PRO A 97 4.321 -13.025 -11.709 1.00 0.00 C ATOM 1517 CG PRO A 97 3.803 -13.439 -13.108 1.00 0.00 C ATOM 1518 CD PRO A 97 2.760 -12.384 -13.520 1.00 0.00 C ATOM 0 HA PRO A 97 3.743 -11.265 -10.530 1.00 0.00 H new ATOM 0 HB2 PRO A 97 5.392 -13.206 -11.623 1.00 0.00 H new ATOM 0 HB3 PRO A 97 3.835 -13.609 -10.927 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.620 -13.478 -13.828 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.357 -14.433 -13.078 1.00 0.00 H new ATOM 0 HD2 PRO A 97 2.947 -12.012 -14.527 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.752 -12.798 -13.515 1.00 0.00 H new ATOM 1526 N HIS A 98 5.617 -10.703 -13.167 1.00 0.00 N ATOM 1527 CA HIS A 98 6.792 -9.893 -13.593 1.00 0.00 C ATOM 1528 C HIS A 98 6.400 -8.414 -13.649 1.00 0.00 C ATOM 1529 O HIS A 98 7.207 -7.538 -13.403 1.00 0.00 O ATOM 1530 CB HIS A 98 7.248 -10.353 -14.981 1.00 0.00 C ATOM 1531 CG HIS A 98 8.746 -10.270 -15.074 1.00 0.00 C ATOM 1532 ND1 HIS A 98 9.520 -11.342 -15.491 1.00 0.00 N ATOM 1533 CD2 HIS A 98 9.627 -9.250 -14.812 1.00 0.00 C ATOM 1534 CE1 HIS A 98 10.807 -10.946 -15.467 1.00 0.00 C ATOM 1535 NE2 HIS A 98 10.928 -9.679 -15.060 1.00 0.00 N ATOM 0 H HIS A 98 5.178 -11.251 -13.906 1.00 0.00 H new ATOM 0 HA HIS A 98 7.605 -10.025 -12.879 1.00 0.00 H new ATOM 0 HB2 HIS A 98 6.919 -11.376 -15.162 1.00 0.00 H new ATOM 0 HB3 HIS A 98 6.791 -9.730 -15.750 1.00 0.00 H new ATOM 0 HD2 HIS A 98 9.352 -8.264 -14.466 1.00 0.00 H new ATOM 0 HE1 HIS A 98 11.640 -11.576 -15.743 1.00 0.00 H new ATOM 0 HE2 HIS A 98 11.789 -9.142 -14.954 1.00 0.00 H new ATOM 1543 N CYS A 99 5.168 -8.129 -13.972 1.00 0.00 N ATOM 1544 CA CYS A 99 4.725 -6.708 -14.045 1.00 0.00 C ATOM 1545 C CYS A 99 4.894 -6.048 -12.676 1.00 0.00 C ATOM 1546 O CYS A 99 4.925 -4.839 -12.558 1.00 0.00 O ATOM 1547 CB CYS A 99 3.252 -6.654 -14.457 1.00 0.00 C ATOM 1548 SG CYS A 99 3.127 -6.690 -16.262 1.00 0.00 S ATOM 0 H CYS A 99 4.449 -8.819 -14.189 1.00 0.00 H new ATOM 0 HA CYS A 99 5.330 -6.178 -14.781 1.00 0.00 H new ATOM 0 HB2 CYS A 99 2.712 -7.498 -14.028 1.00 0.00 H new ATOM 0 HB3 CYS A 99 2.788 -5.748 -14.068 1.00 0.00 H new ATOM 0 HG CYS A 99 1.876 -6.646 -16.611 1.00 0.00 H new ATOM 1554 N ILE A 100 5.001 -6.833 -11.639 1.00 0.00 N ATOM 1555 CA ILE A 100 5.165 -6.250 -10.277 1.00 0.00 C ATOM 1556 C ILE A 100 6.560 -5.636 -10.149 1.00 0.00 C ATOM 1557 O ILE A 100 6.744 -4.616 -9.516 1.00 0.00 O ATOM 1558 CB ILE A 100 4.996 -7.351 -9.229 1.00 0.00 C ATOM 1559 CG1 ILE A 100 3.580 -7.926 -9.317 1.00 0.00 C ATOM 1560 CG2 ILE A 100 5.227 -6.768 -7.834 1.00 0.00 C ATOM 1561 CD1 ILE A 100 2.578 -6.917 -8.750 1.00 0.00 C ATOM 0 H ILE A 100 4.982 -7.852 -11.676 1.00 0.00 H new ATOM 0 HA ILE A 100 4.412 -5.478 -10.119 1.00 0.00 H new ATOM 0 HB ILE A 100 5.721 -8.144 -9.414 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.334 -8.155 -10.354 1.00 0.00 H new ATOM 0 HG13 ILE A 100 3.522 -8.862 -8.762 1.00 0.00 H new ATOM 0 HG21 ILE A 100 5.107 -7.553 -7.087 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.236 -6.360 -7.773 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.503 -5.975 -7.647 1.00 0.00 H new ATOM 0 HD11 ILE A 100 1.571 -7.329 -8.814 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.820 -6.710 -7.707 1.00 0.00 H new ATOM 0 HD13 ILE A 100 2.629 -5.992 -9.324 1.00 0.00 H new ATOM 1573 N ARG A 101 7.546 -6.249 -10.745 1.00 0.00 N ATOM 1574 CA ARG A 101 8.928 -5.700 -10.654 1.00 0.00 C ATOM 1575 C ARG A 101 9.057 -4.482 -11.570 1.00 0.00 C ATOM 1576 O ARG A 101 9.497 -3.427 -11.159 1.00 0.00 O ATOM 1577 CB ARG A 101 9.931 -6.771 -11.084 1.00 0.00 C ATOM 1578 CG ARG A 101 10.693 -7.281 -9.860 1.00 0.00 C ATOM 1579 CD ARG A 101 12.139 -7.591 -10.251 1.00 0.00 C ATOM 1580 NE ARG A 101 12.711 -8.578 -9.290 1.00 0.00 N ATOM 1581 CZ ARG A 101 14.001 -8.781 -9.249 1.00 0.00 C ATOM 1582 NH1 ARG A 101 14.801 -8.075 -10.001 1.00 0.00 N ATOM 1583 NH2 ARG A 101 14.492 -9.693 -8.453 1.00 0.00 N ATOM 0 H ARG A 101 7.454 -7.106 -11.291 1.00 0.00 H new ATOM 0 HA ARG A 101 9.133 -5.402 -9.626 1.00 0.00 H new ATOM 0 HB2 ARG A 101 9.411 -7.596 -11.571 1.00 0.00 H new ATOM 0 HB3 ARG A 101 10.628 -6.359 -11.813 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.672 -6.533 -9.068 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.212 -8.176 -9.466 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.176 -7.990 -11.265 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.733 -6.677 -10.247 1.00 0.00 H new ATOM 0 HE ARG A 101 12.094 -9.095 -8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.419 -7.362 -10.623 1.00 0.00 H new ATOM 0 HH12 ARG A 101 15.808 -8.236 -9.967 1.00 0.00 H new ATOM 0 HH21 ARG A 101 13.868 -10.246 -7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 101 15.499 -9.853 -8.420 1.00 0.00 H new ATOM 1597 N ASP A 102 8.679 -4.621 -12.811 1.00 0.00 N ATOM 1598 CA ASP A 102 8.783 -3.473 -13.755 1.00 0.00 C ATOM 1599 C ASP A 102 8.080 -2.251 -13.159 1.00 0.00 C ATOM 1600 O ASP A 102 8.413 -1.123 -13.461 1.00 0.00 O ATOM 1601 CB ASP A 102 8.117 -3.846 -15.081 1.00 0.00 C ATOM 1602 CG ASP A 102 9.112 -3.650 -16.225 1.00 0.00 C ATOM 1603 OD1 ASP A 102 10.302 -3.767 -15.977 1.00 0.00 O ATOM 1604 OD2 ASP A 102 8.669 -3.387 -17.331 1.00 0.00 O ATOM 0 H ASP A 102 8.303 -5.480 -13.212 1.00 0.00 H new ATOM 0 HA ASP A 102 9.834 -3.238 -13.925 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.780 -4.882 -15.052 1.00 0.00 H new ATOM 0 HB3 ASP A 102 7.234 -3.228 -15.243 1.00 0.00 H new ATOM 1609 N ALA A 103 7.107 -2.466 -12.317 1.00 0.00 N ATOM 1610 CA ALA A 103 6.381 -1.317 -11.705 1.00 0.00 C ATOM 1611 C ALA A 103 7.232 -0.700 -10.593 1.00 0.00 C ATOM 1612 O ALA A 103 7.520 0.480 -10.600 1.00 0.00 O ATOM 1613 CB ALA A 103 5.056 -1.807 -11.120 1.00 0.00 C ATOM 0 H ALA A 103 6.783 -3.388 -12.026 1.00 0.00 H new ATOM 0 HA ALA A 103 6.188 -0.564 -12.469 1.00 0.00 H new ATOM 0 HB1 ALA A 103 4.524 -0.968 -10.672 1.00 0.00 H new ATOM 0 HB2 ALA A 103 4.447 -2.242 -11.913 1.00 0.00 H new ATOM 0 HB3 ALA A 103 5.252 -2.561 -10.358 1.00 0.00 H new ATOM 1619 N LEU A 104 7.632 -1.488 -9.633 1.00 0.00 N ATOM 1620 CA LEU A 104 8.459 -0.946 -8.517 1.00 0.00 C ATOM 1621 C LEU A 104 9.693 -0.239 -9.081 1.00 0.00 C ATOM 1622 O LEU A 104 10.267 0.626 -8.448 1.00 0.00 O ATOM 1623 CB LEU A 104 8.903 -2.094 -7.608 1.00 0.00 C ATOM 1624 CG LEU A 104 8.033 -2.116 -6.350 1.00 0.00 C ATOM 1625 CD1 LEU A 104 6.566 -2.285 -6.745 1.00 0.00 C ATOM 1626 CD2 LEU A 104 8.457 -3.286 -5.458 1.00 0.00 C ATOM 0 H LEU A 104 7.422 -2.484 -9.573 1.00 0.00 H new ATOM 0 HA LEU A 104 7.866 -0.233 -7.945 1.00 0.00 H new ATOM 0 HB2 LEU A 104 8.820 -3.043 -8.137 1.00 0.00 H new ATOM 0 HB3 LEU A 104 9.951 -1.972 -7.336 1.00 0.00 H new ATOM 0 HG LEU A 104 8.157 -1.179 -5.807 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.947 -2.301 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.262 -1.453 -7.381 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.441 -3.222 -7.288 1.00 0.00 H new ATOM 0 HD21 LEU A 104 7.838 -3.303 -4.561 1.00 0.00 H new ATOM 0 HD22 LEU A 104 8.333 -4.222 -6.002 1.00 0.00 H new ATOM 0 HD23 LEU A 104 9.503 -3.167 -5.175 1.00 0.00 H new ATOM 1638 N GLU A 105 10.110 -0.599 -10.263 1.00 0.00 N ATOM 1639 CA GLU A 105 11.310 0.054 -10.860 1.00 0.00 C ATOM 1640 C GLU A 105 10.956 1.471 -11.315 1.00 0.00 C ATOM 1641 O GLU A 105 11.712 2.402 -11.121 1.00 0.00 O ATOM 1642 CB GLU A 105 11.789 -0.762 -12.062 1.00 0.00 C ATOM 1643 CG GLU A 105 12.581 -1.976 -11.572 1.00 0.00 C ATOM 1644 CD GLU A 105 12.350 -3.153 -12.522 1.00 0.00 C ATOM 1645 OE1 GLU A 105 12.508 -2.964 -13.717 1.00 0.00 O ATOM 1646 OE2 GLU A 105 12.019 -4.222 -12.039 1.00 0.00 O ATOM 0 H GLU A 105 9.673 -1.316 -10.841 1.00 0.00 H new ATOM 0 HA GLU A 105 12.102 0.103 -10.112 1.00 0.00 H new ATOM 0 HB2 GLU A 105 10.936 -1.087 -12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 105 12.412 -0.145 -12.709 1.00 0.00 H new ATOM 0 HG2 GLU A 105 13.643 -1.736 -11.525 1.00 0.00 H new ATOM 0 HG3 GLU A 105 12.270 -2.243 -10.562 1.00 0.00 H new ATOM 1653 N ASP A 106 9.814 1.643 -11.921 1.00 0.00 N ATOM 1654 CA ASP A 106 9.415 3.000 -12.391 1.00 0.00 C ATOM 1655 C ASP A 106 9.582 4.007 -11.251 1.00 0.00 C ATOM 1656 O ASP A 106 9.728 5.193 -11.474 1.00 0.00 O ATOM 1657 CB ASP A 106 7.952 2.976 -12.839 1.00 0.00 C ATOM 1658 CG ASP A 106 7.829 2.179 -14.138 1.00 0.00 C ATOM 1659 OD1 ASP A 106 7.972 2.777 -15.192 1.00 0.00 O ATOM 1660 OD2 ASP A 106 7.596 0.985 -14.057 1.00 0.00 O ATOM 0 H ASP A 106 9.139 0.902 -12.111 1.00 0.00 H new ATOM 0 HA ASP A 106 10.047 3.293 -13.229 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.331 2.527 -12.064 1.00 0.00 H new ATOM 0 HB3 ASP A 106 7.590 3.993 -12.988 1.00 0.00 H new ATOM 1665 N ALA A 107 9.558 3.547 -10.031 1.00 0.00 N ATOM 1666 CA ALA A 107 9.710 4.480 -8.879 1.00 0.00 C ATOM 1667 C ALA A 107 11.043 5.224 -8.992 1.00 0.00 C ATOM 1668 O ALA A 107 11.103 6.431 -8.863 1.00 0.00 O ATOM 1669 CB ALA A 107 9.678 3.685 -7.572 1.00 0.00 C ATOM 0 H ALA A 107 9.440 2.565 -9.782 1.00 0.00 H new ATOM 0 HA ALA A 107 8.893 5.201 -8.887 1.00 0.00 H new ATOM 0 HB1 ALA A 107 9.789 4.367 -6.729 1.00 0.00 H new ATOM 0 HB2 ALA A 107 8.727 3.158 -7.490 1.00 0.00 H new ATOM 0 HB3 ALA A 107 10.495 2.963 -7.565 1.00 0.00 H new ATOM 1675 N LEU A 108 12.114 4.516 -9.229 1.00 0.00 N ATOM 1676 CA LEU A 108 13.438 5.189 -9.347 1.00 0.00 C ATOM 1677 C LEU A 108 13.933 5.103 -10.791 1.00 0.00 C ATOM 1678 O LEU A 108 15.118 5.166 -11.056 1.00 0.00 O ATOM 1679 CB LEU A 108 14.446 4.499 -8.423 1.00 0.00 C ATOM 1680 CG LEU A 108 14.297 5.044 -7.003 1.00 0.00 C ATOM 1681 CD1 LEU A 108 13.932 3.902 -6.052 1.00 0.00 C ATOM 1682 CD2 LEU A 108 15.619 5.674 -6.558 1.00 0.00 C ATOM 0 H LEU A 108 12.129 3.503 -9.346 1.00 0.00 H new ATOM 0 HA LEU A 108 13.336 6.236 -9.061 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.281 3.422 -8.429 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.461 4.669 -8.784 1.00 0.00 H new ATOM 0 HG LEU A 108 13.509 5.797 -6.985 1.00 0.00 H new ATOM 0 HD11 LEU A 108 13.826 4.291 -5.040 1.00 0.00 H new ATOM 0 HD12 LEU A 108 12.991 3.452 -6.368 1.00 0.00 H new ATOM 0 HD13 LEU A 108 14.719 3.148 -6.070 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.514 6.063 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.406 4.920 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 108 15.880 6.488 -7.234 1.00 0.00 H new ATOM 1694 N ASP A 109 13.038 4.960 -11.730 1.00 0.00 N ATOM 1695 CA ASP A 109 13.467 4.871 -13.155 1.00 0.00 C ATOM 1696 C ASP A 109 12.289 5.215 -14.067 1.00 0.00 C ATOM 1697 O ASP A 109 11.154 5.282 -13.637 1.00 0.00 O ATOM 1698 CB ASP A 109 13.946 3.450 -13.454 1.00 0.00 C ATOM 1699 CG ASP A 109 15.311 3.224 -12.803 1.00 0.00 C ATOM 1700 OD1 ASP A 109 16.255 3.885 -13.205 1.00 0.00 O ATOM 1701 OD2 ASP A 109 15.390 2.395 -11.911 1.00 0.00 O ATOM 0 H ASP A 109 12.032 4.901 -11.573 1.00 0.00 H new ATOM 0 HA ASP A 109 14.280 5.575 -13.334 1.00 0.00 H new ATOM 0 HB2 ASP A 109 13.226 2.725 -13.075 1.00 0.00 H new ATOM 0 HB3 ASP A 109 14.015 3.297 -14.531 1.00 0.00 H new ATOM 1706 N VAL A 110 12.550 5.436 -15.326 1.00 0.00 N ATOM 1707 CA VAL A 110 11.448 5.776 -16.268 1.00 0.00 C ATOM 1708 C VAL A 110 11.738 5.150 -17.634 1.00 0.00 C ATOM 1709 O VAL A 110 12.183 5.813 -18.550 1.00 0.00 O ATOM 1710 CB VAL A 110 11.352 7.296 -16.412 1.00 0.00 C ATOM 1711 CG1 VAL A 110 10.392 7.643 -17.551 1.00 0.00 C ATOM 1712 CG2 VAL A 110 10.830 7.897 -15.105 1.00 0.00 C ATOM 0 H VAL A 110 13.480 5.396 -15.743 1.00 0.00 H new ATOM 0 HA VAL A 110 10.505 5.388 -15.883 1.00 0.00 H new ATOM 0 HB VAL A 110 12.339 7.703 -16.634 1.00 0.00 H new ATOM 0 HG11 VAL A 110 10.324 8.726 -17.653 1.00 0.00 H new ATOM 0 HG12 VAL A 110 10.762 7.214 -18.482 1.00 0.00 H new ATOM 0 HG13 VAL A 110 9.405 7.237 -17.331 1.00 0.00 H new ATOM 0 HG21 VAL A 110 10.761 8.980 -15.205 1.00 0.00 H new ATOM 0 HG22 VAL A 110 9.843 7.489 -14.885 1.00 0.00 H new ATOM 0 HG23 VAL A 110 11.514 7.651 -14.293 1.00 0.00 H new ATOM 1722 N ILE A 111 11.489 3.877 -17.778 1.00 0.00 N ATOM 1723 CA ILE A 111 11.752 3.209 -19.083 1.00 0.00 C ATOM 1724 C ILE A 111 10.480 2.503 -19.559 1.00 0.00 C ATOM 1725 O ILE A 111 10.570 1.735 -20.502 1.00 0.00 O ATOM 1726 CB ILE A 111 12.873 2.182 -18.915 1.00 0.00 C ATOM 1727 CG1 ILE A 111 12.376 1.019 -18.053 1.00 0.00 C ATOM 1728 CG2 ILE A 111 14.072 2.843 -18.233 1.00 0.00 C ATOM 1729 CD1 ILE A 111 13.527 0.044 -17.798 1.00 0.00 C ATOM 1730 OXT ILE A 111 9.438 2.744 -18.972 1.00 0.00 O ATOM 0 H ILE A 111 11.115 3.271 -17.048 1.00 0.00 H new ATOM 0 HA ILE A 111 12.052 3.955 -19.819 1.00 0.00 H new ATOM 0 HB ILE A 111 13.171 1.808 -19.894 1.00 0.00 H new ATOM 0 HG12 ILE A 111 11.987 1.394 -17.107 1.00 0.00 H new ATOM 0 HG13 ILE A 111 11.555 0.506 -18.554 1.00 0.00 H new ATOM 0 HG21 ILE A 111 14.871 2.112 -18.113 1.00 0.00 H new ATOM 0 HG22 ILE A 111 14.428 3.672 -18.845 1.00 0.00 H new ATOM 0 HG23 ILE A 111 13.773 3.217 -17.254 1.00 0.00 H new ATOM 0 HD11 ILE A 111 13.173 -0.784 -17.184 1.00 0.00 H new ATOM 0 HD12 ILE A 111 13.895 -0.341 -18.749 1.00 0.00 H new ATOM 0 HD13 ILE A 111 14.334 0.561 -17.279 1.00 0.00 H new TER 1742 ILE A 111