USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 654 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ALA N :NH3+ -114:sc= 0.104 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.0927 USER MOD Single : A 3 MET CE :methyl 146:sc= -0.216 (180deg=-1.28) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 GLN : amide:sc= -4.09! C(o=-4.1!,f=-6.2!) USER MOD Single : A 15 SER OG : rot 180:sc= 0.0093 USER MOD Single : A 18 MET CE :methyl -141:sc= -0.126 (180deg=-0.837) USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= -0.017 (180deg=-0.652) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0168 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -35:sc= 0.593 USER MOD Single : A 46 MET CE :methyl -145:sc= -0.695 (180deg=-3.21!) USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= -5.04! C(o=-5!,f=-8.1!) USER MOD Single : A 52 ASN : amide:sc= -0.968! C(o=-0.97!,f=-5!) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc=-0.00891 USER MOD Single : A 81 MET CE :methyl 144:sc= -0.164 (180deg=-1.22) USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 MET CE :methyl -113:sc= -0.0568 (180deg=-2.98!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.262 -4.814 -13.326 1.00 0.00 N ATOM 2 CA ALA A 1 -12.794 -5.467 -12.096 1.00 0.00 C ATOM 3 C ALA A 1 -12.561 -4.554 -10.892 1.00 0.00 C ATOM 4 O ALA A 1 -11.740 -3.658 -10.928 1.00 0.00 O ATOM 5 CB ALA A 1 -12.075 -6.798 -11.870 1.00 0.00 C ATOM 0 H1 ALA A 1 -13.049 -4.590 -13.968 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.766 -3.937 -13.067 1.00 0.00 H new ATOM 0 H3 ALA A 1 -11.599 -5.459 -13.802 1.00 0.00 H new ATOM 0 HA ALA A 1 -13.862 -5.647 -12.216 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -12.465 -7.274 -10.970 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.240 -7.451 -12.727 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.006 -6.619 -11.751 1.00 0.00 H new ATOM 13 N SER A 2 -13.276 -4.773 -9.823 1.00 0.00 N ATOM 14 CA SER A 2 -13.095 -3.921 -8.616 1.00 0.00 C ATOM 15 C SER A 2 -12.047 -4.557 -7.701 1.00 0.00 C ATOM 16 O SER A 2 -11.386 -5.508 -8.069 1.00 0.00 O ATOM 17 CB SER A 2 -14.424 -3.805 -7.869 1.00 0.00 C ATOM 18 OG SER A 2 -15.378 -4.669 -8.470 1.00 0.00 O ATOM 0 H SER A 2 -13.979 -5.507 -9.734 1.00 0.00 H new ATOM 0 HA SER A 2 -12.762 -2.928 -8.916 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.289 -4.068 -6.820 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.781 -2.775 -7.896 1.00 0.00 H new ATOM 0 HG SER A 2 -16.231 -4.598 -7.992 1.00 0.00 H new ATOM 24 N MET A 3 -11.890 -4.044 -6.513 1.00 0.00 N ATOM 25 CA MET A 3 -10.885 -4.625 -5.580 1.00 0.00 C ATOM 26 C MET A 3 -11.511 -5.794 -4.819 1.00 0.00 C ATOM 27 O MET A 3 -10.973 -6.268 -3.839 1.00 0.00 O ATOM 28 CB MET A 3 -10.432 -3.556 -4.585 1.00 0.00 C ATOM 29 CG MET A 3 -11.654 -2.960 -3.885 1.00 0.00 C ATOM 30 SD MET A 3 -11.189 -2.414 -2.222 1.00 0.00 S ATOM 31 CE MET A 3 -10.599 -0.766 -2.683 1.00 0.00 C ATOM 0 H MET A 3 -12.413 -3.248 -6.148 1.00 0.00 H new ATOM 0 HA MET A 3 -10.026 -4.979 -6.149 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.755 -3.992 -3.850 1.00 0.00 H new ATOM 0 HB3 MET A 3 -9.879 -2.773 -5.103 1.00 0.00 H new ATOM 0 HG2 MET A 3 -12.042 -2.119 -4.460 1.00 0.00 H new ATOM 0 HG3 MET A 3 -12.451 -3.701 -3.827 1.00 0.00 H new ATOM 0 HE1 MET A 3 -10.823 -0.062 -1.882 1.00 0.00 H new ATOM 0 HE2 MET A 3 -9.522 -0.798 -2.847 1.00 0.00 H new ATOM 0 HE3 MET A 3 -11.096 -0.444 -3.598 1.00 0.00 H new ATOM 41 N THR A 4 -12.645 -6.264 -5.260 1.00 0.00 N ATOM 42 CA THR A 4 -13.300 -7.402 -4.558 1.00 0.00 C ATOM 43 C THR A 4 -12.499 -8.683 -4.807 1.00 0.00 C ATOM 44 O THR A 4 -11.529 -8.958 -4.129 1.00 0.00 O ATOM 45 CB THR A 4 -14.726 -7.577 -5.083 1.00 0.00 C ATOM 46 OG1 THR A 4 -15.539 -6.513 -4.607 1.00 0.00 O ATOM 47 CG2 THR A 4 -15.289 -8.910 -4.592 1.00 0.00 C ATOM 0 H THR A 4 -13.145 -5.910 -6.075 1.00 0.00 H new ATOM 0 HA THR A 4 -13.334 -7.198 -3.488 1.00 0.00 H new ATOM 0 HB THR A 4 -14.717 -7.567 -6.173 1.00 0.00 H new ATOM 0 HG1 THR A 4 -16.453 -6.623 -4.944 1.00 0.00 H new ATOM 0 HG21 THR A 4 -16.305 -9.036 -4.966 1.00 0.00 H new ATOM 0 HG22 THR A 4 -14.665 -9.725 -4.957 1.00 0.00 H new ATOM 0 HG23 THR A 4 -15.299 -8.921 -3.502 1.00 0.00 H new ATOM 55 N ASP A 5 -12.890 -9.470 -5.774 1.00 0.00 N ATOM 56 CA ASP A 5 -12.139 -10.724 -6.056 1.00 0.00 C ATOM 57 C ASP A 5 -10.648 -10.401 -6.140 1.00 0.00 C ATOM 58 O ASP A 5 -9.804 -11.246 -5.918 1.00 0.00 O ATOM 59 CB ASP A 5 -12.610 -11.317 -7.387 1.00 0.00 C ATOM 60 CG ASP A 5 -13.037 -12.771 -7.174 1.00 0.00 C ATOM 61 OD1 ASP A 5 -12.331 -13.479 -6.475 1.00 0.00 O ATOM 62 OD2 ASP A 5 -14.063 -13.152 -7.715 1.00 0.00 O ATOM 0 H ASP A 5 -13.694 -9.298 -6.378 1.00 0.00 H new ATOM 0 HA ASP A 5 -12.317 -11.447 -5.260 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -13.443 -10.736 -7.782 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -11.809 -11.266 -8.124 1.00 0.00 H new ATOM 67 N GLN A 6 -10.319 -9.179 -6.456 1.00 0.00 N ATOM 68 CA GLN A 6 -8.885 -8.790 -6.552 1.00 0.00 C ATOM 69 C GLN A 6 -8.199 -9.041 -5.208 1.00 0.00 C ATOM 70 O GLN A 6 -7.172 -9.687 -5.136 1.00 0.00 O ATOM 71 CB GLN A 6 -8.789 -7.305 -6.907 1.00 0.00 C ATOM 72 CG GLN A 6 -7.561 -7.066 -7.789 1.00 0.00 C ATOM 73 CD GLN A 6 -7.996 -6.947 -9.251 1.00 0.00 C ATOM 74 OE1 GLN A 6 -8.163 -7.940 -9.930 1.00 0.00 O ATOM 75 NE2 GLN A 6 -8.186 -5.763 -9.769 1.00 0.00 N ATOM 0 H GLN A 6 -10.984 -8.431 -6.652 1.00 0.00 H new ATOM 0 HA GLN A 6 -8.394 -9.382 -7.324 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -9.691 -6.986 -7.429 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -8.718 -6.707 -5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -7.047 -6.157 -7.476 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -6.853 -7.887 -7.675 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -8.046 -4.929 -9.199 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -8.474 -5.673 -10.743 1.00 0.00 H new ATOM 84 N GLN A 7 -8.758 -8.537 -4.143 1.00 0.00 N ATOM 85 CA GLN A 7 -8.138 -8.749 -2.804 1.00 0.00 C ATOM 86 C GLN A 7 -8.171 -10.238 -2.454 1.00 0.00 C ATOM 87 O GLN A 7 -7.347 -10.728 -1.707 1.00 0.00 O ATOM 88 CB GLN A 7 -8.916 -7.955 -1.751 1.00 0.00 C ATOM 89 CG GLN A 7 -10.255 -8.642 -1.470 1.00 0.00 C ATOM 90 CD GLN A 7 -11.371 -7.595 -1.441 1.00 0.00 C ATOM 91 OE1 GLN A 7 -11.106 -6.411 -1.376 1.00 0.00 O ATOM 92 NE2 GLN A 7 -12.614 -7.984 -1.490 1.00 0.00 N ATOM 0 H GLN A 7 -9.617 -7.987 -4.141 1.00 0.00 H new ATOM 0 HA GLN A 7 -7.103 -8.407 -2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.334 -7.883 -0.832 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -9.085 -6.937 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -10.461 -9.387 -2.238 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.212 -9.169 -0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -12.835 -8.978 -1.545 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -13.365 -7.294 -1.474 1.00 0.00 H new ATOM 101 N ALA A 8 -9.118 -10.962 -2.987 1.00 0.00 N ATOM 102 CA ALA A 8 -9.203 -12.420 -2.686 1.00 0.00 C ATOM 103 C ALA A 8 -7.940 -13.121 -3.191 1.00 0.00 C ATOM 104 O ALA A 8 -7.387 -13.978 -2.531 1.00 0.00 O ATOM 105 CB ALA A 8 -10.430 -13.014 -3.383 1.00 0.00 C ATOM 0 H ALA A 8 -9.836 -10.607 -3.618 1.00 0.00 H new ATOM 0 HA ALA A 8 -9.291 -12.564 -1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -10.493 -14.080 -3.163 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -11.330 -12.516 -3.023 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -10.342 -12.870 -4.460 1.00 0.00 H new ATOM 111 N GLU A 9 -7.479 -12.763 -4.360 1.00 0.00 N ATOM 112 CA GLU A 9 -6.252 -13.409 -4.906 1.00 0.00 C ATOM 113 C GLU A 9 -5.036 -12.958 -4.096 1.00 0.00 C ATOM 114 O GLU A 9 -3.987 -13.570 -4.138 1.00 0.00 O ATOM 115 CB GLU A 9 -6.067 -13.000 -6.369 1.00 0.00 C ATOM 116 CG GLU A 9 -5.408 -14.148 -7.138 1.00 0.00 C ATOM 117 CD GLU A 9 -4.895 -13.634 -8.484 1.00 0.00 C ATOM 118 OE1 GLU A 9 -5.658 -12.982 -9.177 1.00 0.00 O ATOM 119 OE2 GLU A 9 -3.747 -13.902 -8.799 1.00 0.00 O ATOM 0 H GLU A 9 -7.899 -12.052 -4.959 1.00 0.00 H new ATOM 0 HA GLU A 9 -6.353 -14.492 -4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -7.031 -12.755 -6.815 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -5.450 -12.104 -6.432 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.584 -14.563 -6.557 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.125 -14.954 -7.294 1.00 0.00 H new ATOM 126 N ALA A 10 -5.169 -11.891 -3.358 1.00 0.00 N ATOM 127 CA ALA A 10 -4.021 -11.397 -2.546 1.00 0.00 C ATOM 128 C ALA A 10 -4.050 -12.056 -1.165 1.00 0.00 C ATOM 129 O ALA A 10 -3.038 -12.176 -0.505 1.00 0.00 O ATOM 130 CB ALA A 10 -4.126 -9.880 -2.386 1.00 0.00 C ATOM 0 H ALA A 10 -6.023 -11.339 -3.282 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.087 -11.647 -3.049 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -3.287 -9.518 -1.792 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.106 -9.408 -3.368 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -5.060 -9.631 -1.883 1.00 0.00 H new ATOM 136 N ARG A 11 -5.201 -12.484 -0.723 1.00 0.00 N ATOM 137 CA ARG A 11 -5.289 -13.133 0.615 1.00 0.00 C ATOM 138 C ARG A 11 -4.712 -14.547 0.535 1.00 0.00 C ATOM 139 O ARG A 11 -4.076 -15.022 1.455 1.00 0.00 O ATOM 140 CB ARG A 11 -6.754 -13.205 1.051 1.00 0.00 C ATOM 141 CG ARG A 11 -6.828 -13.474 2.555 1.00 0.00 C ATOM 142 CD ARG A 11 -7.518 -12.300 3.250 1.00 0.00 C ATOM 143 NE ARG A 11 -8.677 -12.803 4.041 1.00 0.00 N ATOM 144 CZ ARG A 11 -8.724 -12.599 5.330 1.00 0.00 C ATOM 145 NH1 ARG A 11 -8.235 -11.500 5.835 1.00 0.00 N ATOM 146 NH2 ARG A 11 -9.263 -13.494 6.113 1.00 0.00 N ATOM 0 H ARG A 11 -6.083 -12.412 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.722 -12.549 1.340 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.261 -12.270 0.813 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -7.269 -13.995 0.504 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.378 -14.396 2.744 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.826 -13.612 2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.814 -11.785 3.904 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.856 -11.574 2.511 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.433 -13.306 3.576 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.816 -10.800 5.223 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.272 -11.341 6.842 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -9.647 -14.352 5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.300 -13.335 7.120 1.00 0.00 H new ATOM 160 N ALA A 12 -4.930 -15.226 -0.557 1.00 0.00 N ATOM 161 CA ALA A 12 -4.396 -16.610 -0.695 1.00 0.00 C ATOM 162 C ALA A 12 -2.939 -16.649 -0.228 1.00 0.00 C ATOM 163 O ALA A 12 -2.587 -17.384 0.673 1.00 0.00 O ATOM 164 CB ALA A 12 -4.473 -17.042 -2.161 1.00 0.00 C ATOM 0 H ALA A 12 -5.455 -14.882 -1.361 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.990 -17.289 -0.083 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.082 -18.055 -2.263 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -5.511 -17.018 -2.493 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -3.881 -16.361 -2.772 1.00 0.00 H new ATOM 170 N PHE A 13 -2.088 -15.867 -0.834 1.00 0.00 N ATOM 171 CA PHE A 13 -0.655 -15.865 -0.424 1.00 0.00 C ATOM 172 C PHE A 13 -0.495 -15.068 0.873 1.00 0.00 C ATOM 173 O PHE A 13 0.354 -15.361 1.692 1.00 0.00 O ATOM 174 CB PHE A 13 0.191 -15.222 -1.525 1.00 0.00 C ATOM 175 CG PHE A 13 1.643 -15.226 -1.111 1.00 0.00 C ATOM 176 CD1 PHE A 13 2.238 -16.409 -0.656 1.00 0.00 C ATOM 177 CD2 PHE A 13 2.394 -14.047 -1.181 1.00 0.00 C ATOM 178 CE1 PHE A 13 3.584 -16.413 -0.271 1.00 0.00 C ATOM 179 CE2 PHE A 13 3.741 -14.050 -0.797 1.00 0.00 C ATOM 180 CZ PHE A 13 4.335 -15.233 -0.341 1.00 0.00 C ATOM 0 H PHE A 13 -2.323 -15.230 -1.595 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.323 -16.891 -0.263 1.00 0.00 H new ATOM 0 HB2 PHE A 13 0.067 -15.769 -2.460 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -0.144 -14.201 -1.706 1.00 0.00 H new ATOM 0 HD1 PHE A 13 1.658 -17.319 -0.602 1.00 0.00 H new ATOM 0 HD2 PHE A 13 1.935 -13.134 -1.531 1.00 0.00 H new ATOM 0 HE1 PHE A 13 4.043 -17.326 0.080 1.00 0.00 H new ATOM 0 HE2 PHE A 13 4.321 -13.141 -0.853 1.00 0.00 H new ATOM 0 HZ PHE A 13 5.373 -15.236 -0.043 1.00 0.00 H new ATOM 190 N LEU A 14 -1.303 -14.061 1.067 1.00 0.00 N ATOM 191 CA LEU A 14 -1.195 -13.247 2.311 1.00 0.00 C ATOM 192 C LEU A 14 -2.055 -13.878 3.409 1.00 0.00 C ATOM 193 O LEU A 14 -3.109 -13.377 3.749 1.00 0.00 O ATOM 194 CB LEU A 14 -1.689 -11.825 2.037 1.00 0.00 C ATOM 195 CG LEU A 14 -0.780 -11.153 1.006 1.00 0.00 C ATOM 196 CD1 LEU A 14 -1.348 -9.778 0.646 1.00 0.00 C ATOM 197 CD2 LEU A 14 0.622 -10.985 1.594 1.00 0.00 C ATOM 0 H LEU A 14 -2.033 -13.767 0.418 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.154 -13.216 2.633 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.715 -11.851 1.670 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.696 -11.248 2.961 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.727 -11.772 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.701 -9.298 -0.089 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.348 -9.895 0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.400 -9.160 1.542 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.270 -10.506 0.859 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.569 -10.366 2.490 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.028 -11.963 1.853 1.00 0.00 H new ATOM 209 N SER A 15 -1.617 -14.971 3.969 1.00 0.00 N ATOM 210 CA SER A 15 -2.413 -15.626 5.044 1.00 0.00 C ATOM 211 C SER A 15 -2.663 -14.623 6.171 1.00 0.00 C ATOM 212 O SER A 15 -2.132 -13.531 6.171 1.00 0.00 O ATOM 213 CB SER A 15 -1.642 -16.828 5.590 1.00 0.00 C ATOM 214 OG SER A 15 -0.273 -16.479 5.741 1.00 0.00 O ATOM 0 H SER A 15 -0.743 -15.439 3.729 1.00 0.00 H new ATOM 0 HA SER A 15 -3.367 -15.963 4.638 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.058 -17.136 6.549 1.00 0.00 H new ATOM 0 HB3 SER A 15 -1.740 -17.676 4.912 1.00 0.00 H new ATOM 0 HG SER A 15 0.224 -17.247 6.093 1.00 0.00 H new ATOM 220 N GLU A 16 -3.468 -14.983 7.133 1.00 0.00 N ATOM 221 CA GLU A 16 -3.748 -14.047 8.259 1.00 0.00 C ATOM 222 C GLU A 16 -2.436 -13.681 8.956 1.00 0.00 C ATOM 223 O GLU A 16 -2.358 -12.714 9.686 1.00 0.00 O ATOM 224 CB GLU A 16 -4.688 -14.720 9.262 1.00 0.00 C ATOM 225 CG GLU A 16 -5.337 -13.656 10.149 1.00 0.00 C ATOM 226 CD GLU A 16 -5.318 -14.123 11.605 1.00 0.00 C ATOM 227 OE1 GLU A 16 -4.344 -13.839 12.284 1.00 0.00 O ATOM 228 OE2 GLU A 16 -6.276 -14.755 12.016 1.00 0.00 O ATOM 0 H GLU A 16 -3.944 -15.884 7.188 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.218 -13.143 7.871 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.456 -15.285 8.734 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.134 -15.431 9.875 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.802 -12.711 10.052 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -6.363 -13.476 9.827 1.00 0.00 H new ATOM 235 N GLU A 17 -1.402 -14.447 8.733 1.00 0.00 N ATOM 236 CA GLU A 17 -0.095 -14.143 9.380 1.00 0.00 C ATOM 237 C GLU A 17 0.558 -12.955 8.673 1.00 0.00 C ATOM 238 O GLU A 17 1.102 -12.066 9.299 1.00 0.00 O ATOM 239 CB GLU A 17 0.822 -15.363 9.274 1.00 0.00 C ATOM 240 CG GLU A 17 2.131 -15.084 10.015 1.00 0.00 C ATOM 241 CD GLU A 17 1.914 -15.262 11.519 1.00 0.00 C ATOM 242 OE1 GLU A 17 0.938 -15.896 11.885 1.00 0.00 O ATOM 243 OE2 GLU A 17 2.727 -14.762 12.278 1.00 0.00 O ATOM 0 H GLU A 17 -1.407 -15.270 8.131 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.257 -13.899 10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.331 -16.238 9.699 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.025 -15.588 8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 17 2.910 -15.762 9.666 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.472 -14.071 9.803 1.00 0.00 H new ATOM 250 N MET A 18 0.511 -12.932 7.368 1.00 0.00 N ATOM 251 CA MET A 18 1.130 -11.804 6.618 1.00 0.00 C ATOM 252 C MET A 18 0.501 -10.483 7.068 1.00 0.00 C ATOM 253 O MET A 18 1.188 -9.556 7.450 1.00 0.00 O ATOM 254 CB MET A 18 0.891 -11.999 5.120 1.00 0.00 C ATOM 255 CG MET A 18 2.059 -12.779 4.514 1.00 0.00 C ATOM 256 SD MET A 18 3.333 -11.621 3.956 1.00 0.00 S ATOM 257 CE MET A 18 3.808 -12.514 2.457 1.00 0.00 C ATOM 0 H MET A 18 0.070 -13.647 6.789 1.00 0.00 H new ATOM 0 HA MET A 18 2.202 -11.780 6.816 1.00 0.00 H new ATOM 0 HB2 MET A 18 -0.043 -12.537 4.957 1.00 0.00 H new ATOM 0 HB3 MET A 18 0.792 -11.032 4.628 1.00 0.00 H new ATOM 0 HG2 MET A 18 2.474 -13.465 5.252 1.00 0.00 H new ATOM 0 HG3 MET A 18 1.711 -13.384 3.677 1.00 0.00 H new ATOM 0 HE1 MET A 18 4.889 -12.457 2.326 1.00 0.00 H new ATOM 0 HE2 MET A 18 3.508 -13.558 2.545 1.00 0.00 H new ATOM 0 HE3 MET A 18 3.314 -12.066 1.595 1.00 0.00 H new ATOM 267 N ILE A 19 -0.801 -10.389 7.026 1.00 0.00 N ATOM 268 CA ILE A 19 -1.470 -9.127 7.453 1.00 0.00 C ATOM 269 C ILE A 19 -1.291 -8.940 8.961 1.00 0.00 C ATOM 270 O ILE A 19 -1.595 -7.900 9.507 1.00 0.00 O ATOM 271 CB ILE A 19 -2.964 -9.207 7.128 1.00 0.00 C ATOM 272 CG1 ILE A 19 -3.147 -9.575 5.655 1.00 0.00 C ATOM 273 CG2 ILE A 19 -3.618 -7.851 7.400 1.00 0.00 C ATOM 274 CD1 ILE A 19 -3.350 -11.087 5.530 1.00 0.00 C ATOM 0 H ILE A 19 -1.429 -11.130 6.715 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.025 -8.284 6.924 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.431 -9.968 7.753 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -4.005 -9.046 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -2.274 -9.265 5.080 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.682 -7.907 7.169 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.488 -7.589 8.450 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.151 -7.090 6.775 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.481 -11.351 4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.478 -11.605 5.929 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -4.236 -11.383 6.092 1.00 0.00 H new ATOM 286 N ALA A 20 -0.803 -9.943 9.637 1.00 0.00 N ATOM 287 CA ALA A 20 -0.611 -9.827 11.110 1.00 0.00 C ATOM 288 C ALA A 20 0.627 -8.977 11.406 1.00 0.00 C ATOM 289 O ALA A 20 0.574 -8.029 12.164 1.00 0.00 O ATOM 290 CB ALA A 20 -0.424 -11.223 11.707 1.00 0.00 C ATOM 0 H ALA A 20 -0.529 -10.838 9.233 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.487 -9.352 11.552 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.283 -11.142 12.785 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.307 -11.828 11.501 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.452 -11.695 11.261 1.00 0.00 H new ATOM 296 N GLU A 21 1.743 -9.311 10.820 1.00 0.00 N ATOM 297 CA GLU A 21 2.982 -8.523 11.076 1.00 0.00 C ATOM 298 C GLU A 21 3.058 -7.350 10.096 1.00 0.00 C ATOM 299 O GLU A 21 3.871 -6.458 10.242 1.00 0.00 O ATOM 300 CB GLU A 21 4.204 -9.423 10.885 1.00 0.00 C ATOM 301 CG GLU A 21 5.018 -9.463 12.179 1.00 0.00 C ATOM 302 CD GLU A 21 6.504 -9.298 11.854 1.00 0.00 C ATOM 303 OE1 GLU A 21 6.976 -9.988 10.965 1.00 0.00 O ATOM 304 OE2 GLU A 21 7.145 -8.484 12.498 1.00 0.00 O ATOM 0 H GLU A 21 1.851 -10.094 10.176 1.00 0.00 H new ATOM 0 HA GLU A 21 2.963 -8.141 12.097 1.00 0.00 H new ATOM 0 HB2 GLU A 21 3.888 -10.430 10.611 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.820 -9.049 10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.692 -8.669 12.851 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.851 -10.407 12.697 1.00 0.00 H new ATOM 311 N PHE A 22 2.222 -7.345 9.095 1.00 0.00 N ATOM 312 CA PHE A 22 2.253 -6.233 8.104 1.00 0.00 C ATOM 313 C PHE A 22 1.306 -5.113 8.547 1.00 0.00 C ATOM 314 O PHE A 22 1.576 -3.945 8.344 1.00 0.00 O ATOM 315 CB PHE A 22 1.811 -6.762 6.738 1.00 0.00 C ATOM 316 CG PHE A 22 2.447 -5.935 5.648 1.00 0.00 C ATOM 317 CD1 PHE A 22 3.808 -5.618 5.714 1.00 0.00 C ATOM 318 CD2 PHE A 22 1.674 -5.487 4.570 1.00 0.00 C ATOM 319 CE1 PHE A 22 4.398 -4.852 4.702 1.00 0.00 C ATOM 320 CE2 PHE A 22 2.263 -4.721 3.557 1.00 0.00 C ATOM 321 CZ PHE A 22 3.625 -4.403 3.624 1.00 0.00 C ATOM 0 H PHE A 22 1.519 -8.063 8.920 1.00 0.00 H new ATOM 0 HA PHE A 22 3.267 -5.838 8.037 1.00 0.00 H new ATOM 0 HB2 PHE A 22 2.099 -7.808 6.631 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.725 -6.720 6.654 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.403 -5.964 6.546 1.00 0.00 H new ATOM 0 HD2 PHE A 22 0.623 -5.732 4.520 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.449 -4.607 4.752 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.668 -4.376 2.725 1.00 0.00 H new ATOM 0 HZ PHE A 22 4.080 -3.811 2.844 1.00 0.00 H new ATOM 331 N LYS A 23 0.195 -5.456 9.141 1.00 0.00 N ATOM 332 CA LYS A 23 -0.768 -4.407 9.584 1.00 0.00 C ATOM 333 C LYS A 23 -0.058 -3.398 10.491 1.00 0.00 C ATOM 334 O LYS A 23 -0.445 -2.249 10.578 1.00 0.00 O ATOM 335 CB LYS A 23 -1.925 -5.061 10.347 1.00 0.00 C ATOM 336 CG LYS A 23 -1.457 -5.474 11.745 1.00 0.00 C ATOM 337 CD LYS A 23 -2.598 -6.188 12.474 1.00 0.00 C ATOM 338 CE LYS A 23 -2.091 -6.735 13.810 1.00 0.00 C ATOM 339 NZ LYS A 23 -2.534 -8.150 13.967 1.00 0.00 N ATOM 0 H LYS A 23 -0.087 -6.416 9.339 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.159 -3.887 8.709 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.761 -4.366 10.424 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.285 -5.933 9.802 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -0.591 -6.131 11.671 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -1.143 -4.596 12.310 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.424 -5.497 12.642 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.983 -7.001 11.859 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.003 -6.677 13.850 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.473 -6.130 14.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -2.677 -8.359 14.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.427 -8.293 13.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.807 -8.786 13.582 1.00 0.00 H new ATOM 353 N ALA A 24 0.975 -3.816 11.168 1.00 0.00 N ATOM 354 CA ALA A 24 1.703 -2.875 12.069 1.00 0.00 C ATOM 355 C ALA A 24 2.613 -1.969 11.236 1.00 0.00 C ATOM 356 O ALA A 24 2.855 -0.831 11.583 1.00 0.00 O ATOM 357 CB ALA A 24 2.546 -3.672 13.065 1.00 0.00 C ATOM 0 H ALA A 24 1.347 -4.765 11.138 1.00 0.00 H new ATOM 0 HA ALA A 24 0.983 -2.263 12.612 1.00 0.00 H new ATOM 0 HB1 ALA A 24 3.078 -2.985 13.723 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.896 -4.314 13.660 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.266 -4.286 12.523 1.00 0.00 H new ATOM 363 N ALA A 25 3.118 -2.465 10.139 1.00 0.00 N ATOM 364 CA ALA A 25 4.011 -1.630 9.286 1.00 0.00 C ATOM 365 C ALA A 25 3.231 -0.427 8.751 1.00 0.00 C ATOM 366 O ALA A 25 3.800 0.594 8.418 1.00 0.00 O ATOM 367 CB ALA A 25 4.523 -2.467 8.112 1.00 0.00 C ATOM 0 H ALA A 25 2.951 -3.411 9.797 1.00 0.00 H new ATOM 0 HA ALA A 25 4.855 -1.280 9.880 1.00 0.00 H new ATOM 0 HB1 ALA A 25 5.176 -1.857 7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 25 5.080 -3.324 8.491 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.678 -2.817 7.519 1.00 0.00 H new ATOM 373 N PHE A 26 1.936 -0.542 8.659 1.00 0.00 N ATOM 374 CA PHE A 26 1.122 0.594 8.139 1.00 0.00 C ATOM 375 C PHE A 26 0.792 1.558 9.281 1.00 0.00 C ATOM 376 O PHE A 26 0.649 2.748 9.077 1.00 0.00 O ATOM 377 CB PHE A 26 -0.178 0.053 7.539 1.00 0.00 C ATOM 378 CG PHE A 26 -0.710 1.038 6.527 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.179 2.290 6.946 1.00 0.00 C ATOM 380 CD2 PHE A 26 -0.735 0.701 5.169 1.00 0.00 C ATOM 381 CE1 PHE A 26 -1.672 3.203 6.006 1.00 0.00 C ATOM 382 CE2 PHE A 26 -1.228 1.614 4.229 1.00 0.00 C ATOM 383 CZ PHE A 26 -1.698 2.865 4.648 1.00 0.00 C ATOM 0 H PHE A 26 1.405 -1.373 8.921 1.00 0.00 H new ATOM 0 HA PHE A 26 1.688 1.123 7.373 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.001 -0.912 7.065 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.914 -0.111 8.326 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -1.160 2.551 7.994 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -0.374 -0.264 4.846 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -2.032 4.169 6.329 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -1.246 1.354 3.181 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.080 3.569 3.923 1.00 0.00 H new ATOM 393 N ASP A 27 0.667 1.057 10.478 1.00 0.00 N ATOM 394 CA ASP A 27 0.343 1.949 11.628 1.00 0.00 C ATOM 395 C ASP A 27 1.608 2.681 12.085 1.00 0.00 C ATOM 396 O ASP A 27 1.563 3.533 12.950 1.00 0.00 O ATOM 397 CB ASP A 27 -0.205 1.111 12.785 1.00 0.00 C ATOM 398 CG ASP A 27 -1.734 1.126 12.747 1.00 0.00 C ATOM 399 OD1 ASP A 27 -2.280 1.170 11.656 1.00 0.00 O ATOM 400 OD2 ASP A 27 -2.333 1.096 13.808 1.00 0.00 O ATOM 0 H ASP A 27 0.775 0.070 10.711 1.00 0.00 H new ATOM 0 HA ASP A 27 -0.405 2.679 11.319 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.161 0.087 12.711 1.00 0.00 H new ATOM 0 HB3 ASP A 27 0.150 1.509 13.736 1.00 0.00 H new ATOM 405 N MET A 28 2.736 2.357 11.512 1.00 0.00 N ATOM 406 CA MET A 28 3.999 3.035 11.918 1.00 0.00 C ATOM 407 C MET A 28 3.757 4.542 12.033 1.00 0.00 C ATOM 408 O MET A 28 3.834 5.114 13.102 1.00 0.00 O ATOM 409 CB MET A 28 5.083 2.771 10.870 1.00 0.00 C ATOM 410 CG MET A 28 6.304 2.143 11.546 1.00 0.00 C ATOM 411 SD MET A 28 7.814 2.867 10.858 1.00 0.00 S ATOM 412 CE MET A 28 8.129 1.593 9.611 1.00 0.00 C ATOM 0 H MET A 28 2.837 1.653 10.781 1.00 0.00 H new ATOM 0 HA MET A 28 4.324 2.645 12.882 1.00 0.00 H new ATOM 0 HB2 MET A 28 4.701 2.106 10.095 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.365 3.703 10.380 1.00 0.00 H new ATOM 0 HG2 MET A 28 6.264 2.312 12.622 1.00 0.00 H new ATOM 0 HG3 MET A 28 6.303 1.064 11.393 1.00 0.00 H new ATOM 0 HE1 MET A 28 9.034 1.843 9.056 1.00 0.00 H new ATOM 0 HE2 MET A 28 8.259 0.628 10.101 1.00 0.00 H new ATOM 0 HE3 MET A 28 7.285 1.540 8.924 1.00 0.00 H new ATOM 422 N PHE A 29 3.464 5.191 10.939 1.00 0.00 N ATOM 423 CA PHE A 29 3.218 6.660 10.987 1.00 0.00 C ATOM 424 C PHE A 29 1.883 6.930 11.683 1.00 0.00 C ATOM 425 O PHE A 29 1.833 7.521 12.743 1.00 0.00 O ATOM 426 CB PHE A 29 3.173 7.218 9.563 1.00 0.00 C ATOM 427 CG PHE A 29 4.576 7.308 9.014 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.436 8.322 9.453 1.00 0.00 C ATOM 429 CD2 PHE A 29 5.019 6.376 8.067 1.00 0.00 C ATOM 430 CE1 PHE A 29 6.737 8.405 8.945 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.322 6.460 7.559 1.00 0.00 C ATOM 432 CZ PHE A 29 7.180 7.474 7.998 1.00 0.00 C ATOM 0 H PHE A 29 3.384 4.767 10.015 1.00 0.00 H new ATOM 0 HA PHE A 29 4.022 7.145 11.541 1.00 0.00 H new ATOM 0 HB2 PHE A 29 2.563 6.575 8.928 1.00 0.00 H new ATOM 0 HB3 PHE A 29 2.706 8.203 9.561 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.095 9.040 10.184 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.357 5.593 7.729 1.00 0.00 H new ATOM 0 HE1 PHE A 29 7.400 9.188 9.284 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.664 5.742 6.828 1.00 0.00 H new ATOM 0 HZ PHE A 29 8.184 7.539 7.606 1.00 0.00 H new ATOM 442 N ASP A 30 0.798 6.502 11.096 1.00 0.00 N ATOM 443 CA ASP A 30 -0.532 6.735 11.726 1.00 0.00 C ATOM 444 C ASP A 30 -0.957 5.485 12.499 1.00 0.00 C ATOM 445 O ASP A 30 -1.440 4.527 11.930 1.00 0.00 O ATOM 446 CB ASP A 30 -1.567 7.039 10.640 1.00 0.00 C ATOM 447 CG ASP A 30 -2.318 8.325 10.993 1.00 0.00 C ATOM 448 OD1 ASP A 30 -2.928 8.361 12.049 1.00 0.00 O ATOM 449 OD2 ASP A 30 -2.269 9.252 10.202 1.00 0.00 O ATOM 0 H ASP A 30 0.776 6.001 10.208 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.465 7.581 12.410 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.074 7.147 9.674 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.268 6.209 10.549 1.00 0.00 H new ATOM 454 N ALA A 31 -0.783 5.490 13.792 1.00 0.00 N ATOM 455 CA ALA A 31 -1.181 4.304 14.602 1.00 0.00 C ATOM 456 C ALA A 31 -2.388 4.667 15.467 1.00 0.00 C ATOM 457 O ALA A 31 -3.295 3.880 15.647 1.00 0.00 O ATOM 458 CB ALA A 31 -0.014 3.885 15.500 1.00 0.00 C ATOM 0 H ALA A 31 -0.383 6.264 14.323 1.00 0.00 H new ATOM 0 HA ALA A 31 -1.442 3.478 13.940 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.304 3.018 16.093 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.847 3.631 14.882 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.247 4.708 16.165 1.00 0.00 H new ATOM 464 N ASP A 32 -2.406 5.857 16.002 1.00 0.00 N ATOM 465 CA ASP A 32 -3.553 6.276 16.854 1.00 0.00 C ATOM 466 C ASP A 32 -4.586 7.004 15.991 1.00 0.00 C ATOM 467 O ASP A 32 -5.423 7.732 16.489 1.00 0.00 O ATOM 468 CB ASP A 32 -3.051 7.214 17.953 1.00 0.00 C ATOM 469 CG ASP A 32 -4.162 7.442 18.978 1.00 0.00 C ATOM 470 OD1 ASP A 32 -4.638 6.465 19.534 1.00 0.00 O ATOM 471 OD2 ASP A 32 -4.519 8.589 19.191 1.00 0.00 O ATOM 0 H ASP A 32 -1.674 6.558 15.885 1.00 0.00 H new ATOM 0 HA ASP A 32 -4.013 5.398 17.308 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.175 6.785 18.440 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.741 8.165 17.520 1.00 0.00 H new ATOM 476 N GLY A 33 -4.533 6.815 14.702 1.00 0.00 N ATOM 477 CA GLY A 33 -5.511 7.499 13.807 1.00 0.00 C ATOM 478 C GLY A 33 -6.394 6.455 13.123 1.00 0.00 C ATOM 479 O GLY A 33 -7.606 6.538 13.152 1.00 0.00 O ATOM 0 H GLY A 33 -3.856 6.217 14.229 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.126 8.190 14.384 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -4.983 8.091 13.059 1.00 0.00 H new ATOM 483 N GLY A 34 -5.798 5.472 12.505 1.00 0.00 N ATOM 484 CA GLY A 34 -6.605 4.425 11.818 1.00 0.00 C ATOM 485 C GLY A 34 -5.739 3.707 10.782 1.00 0.00 C ATOM 486 O GLY A 34 -5.769 2.498 10.666 1.00 0.00 O ATOM 0 H GLY A 34 -4.787 5.349 12.446 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.987 3.710 12.546 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.470 4.878 11.333 1.00 0.00 H new ATOM 490 N GLY A 35 -4.968 4.441 10.028 1.00 0.00 N ATOM 491 CA GLY A 35 -4.100 3.798 9.001 1.00 0.00 C ATOM 492 C GLY A 35 -4.373 4.425 7.633 1.00 0.00 C ATOM 493 O GLY A 35 -4.836 3.771 6.720 1.00 0.00 O ATOM 0 H GLY A 35 -4.901 5.458 10.078 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.050 3.924 9.267 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.294 2.726 8.966 1.00 0.00 H new ATOM 497 N ASP A 36 -4.085 5.689 7.481 1.00 0.00 N ATOM 498 CA ASP A 36 -4.324 6.358 6.170 1.00 0.00 C ATOM 499 C ASP A 36 -3.194 7.351 5.895 1.00 0.00 C ATOM 500 O ASP A 36 -3.184 8.452 6.409 1.00 0.00 O ATOM 501 CB ASP A 36 -5.660 7.102 6.210 1.00 0.00 C ATOM 502 CG ASP A 36 -5.901 7.645 7.621 1.00 0.00 C ATOM 503 OD1 ASP A 36 -5.123 8.479 8.054 1.00 0.00 O ATOM 504 OD2 ASP A 36 -6.860 7.217 8.243 1.00 0.00 O ATOM 0 H ASP A 36 -3.694 6.288 8.208 1.00 0.00 H new ATOM 0 HA ASP A 36 -4.352 5.609 5.379 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -5.654 7.920 5.490 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -6.470 6.432 5.924 1.00 0.00 H new ATOM 509 N ILE A 37 -2.241 6.972 5.088 1.00 0.00 N ATOM 510 CA ILE A 37 -1.111 7.894 4.784 1.00 0.00 C ATOM 511 C ILE A 37 -1.418 8.672 3.503 1.00 0.00 C ATOM 512 O ILE A 37 -1.945 8.135 2.550 1.00 0.00 O ATOM 513 CB ILE A 37 0.171 7.084 4.589 1.00 0.00 C ATOM 514 CG1 ILE A 37 0.346 6.116 5.760 1.00 0.00 C ATOM 515 CG2 ILE A 37 1.370 8.031 4.528 1.00 0.00 C ATOM 516 CD1 ILE A 37 0.802 4.755 5.232 1.00 0.00 C ATOM 0 H ILE A 37 -2.196 6.064 4.626 1.00 0.00 H new ATOM 0 HA ILE A 37 -0.980 8.591 5.612 1.00 0.00 H new ATOM 0 HB ILE A 37 0.105 6.521 3.658 1.00 0.00 H new ATOM 0 HG12 ILE A 37 1.079 6.509 6.464 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -0.593 6.011 6.303 1.00 0.00 H new ATOM 0 HG21 ILE A 37 2.284 7.453 4.389 1.00 0.00 H new ATOM 0 HG22 ILE A 37 1.247 8.721 3.693 1.00 0.00 H new ATOM 0 HG23 ILE A 37 1.436 8.595 5.458 1.00 0.00 H new ATOM 0 HD11 ILE A 37 0.927 4.064 6.066 1.00 0.00 H new ATOM 0 HD12 ILE A 37 0.053 4.362 4.545 1.00 0.00 H new ATOM 0 HD13 ILE A 37 1.751 4.867 4.709 1.00 0.00 H new ATOM 528 N SER A 38 -1.088 9.934 3.471 1.00 0.00 N ATOM 529 CA SER A 38 -1.358 10.741 2.248 1.00 0.00 C ATOM 530 C SER A 38 -0.218 10.540 1.247 1.00 0.00 C ATOM 531 O SER A 38 0.626 9.684 1.419 1.00 0.00 O ATOM 532 CB SER A 38 -1.456 12.220 2.624 1.00 0.00 C ATOM 533 OG SER A 38 -2.778 12.504 3.061 1.00 0.00 O ATOM 0 H SER A 38 -0.644 10.440 4.237 1.00 0.00 H new ATOM 0 HA SER A 38 -2.298 10.420 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 38 -0.741 12.455 3.412 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.202 12.843 1.767 1.00 0.00 H new ATOM 0 HG SER A 38 -2.846 13.451 3.305 1.00 0.00 H new ATOM 539 N THR A 39 -0.188 11.319 0.200 1.00 0.00 N ATOM 540 CA THR A 39 0.898 11.166 -0.810 1.00 0.00 C ATOM 541 C THR A 39 2.206 11.728 -0.248 1.00 0.00 C ATOM 542 O THR A 39 3.242 11.097 -0.311 1.00 0.00 O ATOM 543 CB THR A 39 0.524 11.926 -2.085 1.00 0.00 C ATOM 544 OG1 THR A 39 0.065 13.226 -1.741 1.00 0.00 O ATOM 545 CG2 THR A 39 -0.580 11.172 -2.827 1.00 0.00 C ATOM 0 H THR A 39 -0.867 12.053 0.000 1.00 0.00 H new ATOM 0 HA THR A 39 1.027 10.109 -1.042 1.00 0.00 H new ATOM 0 HB THR A 39 1.399 12.008 -2.730 1.00 0.00 H new ATOM 0 HG1 THR A 39 -0.173 13.715 -2.556 1.00 0.00 H new ATOM 0 HG21 THR A 39 -0.845 11.715 -3.734 1.00 0.00 H new ATOM 0 HG22 THR A 39 -0.226 10.175 -3.091 1.00 0.00 H new ATOM 0 HG23 THR A 39 -1.457 11.088 -2.186 1.00 0.00 H new ATOM 553 N LYS A 40 2.167 12.913 0.299 1.00 0.00 N ATOM 554 CA LYS A 40 3.409 13.514 0.863 1.00 0.00 C ATOM 555 C LYS A 40 4.036 12.544 1.866 1.00 0.00 C ATOM 556 O LYS A 40 5.180 12.157 1.740 1.00 0.00 O ATOM 557 CB LYS A 40 3.065 14.825 1.570 1.00 0.00 C ATOM 558 CG LYS A 40 4.315 15.375 2.259 1.00 0.00 C ATOM 559 CD LYS A 40 3.911 16.425 3.295 1.00 0.00 C ATOM 560 CE LYS A 40 5.167 17.078 3.875 1.00 0.00 C ATOM 561 NZ LYS A 40 4.835 17.734 5.170 1.00 0.00 N ATOM 0 H LYS A 40 1.330 13.490 0.380 1.00 0.00 H new ATOM 0 HA LYS A 40 4.116 13.710 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 40 2.685 15.550 0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 40 2.276 14.659 2.303 1.00 0.00 H new ATOM 0 HG2 LYS A 40 4.862 14.565 2.742 1.00 0.00 H new ATOM 0 HG3 LYS A 40 4.985 15.817 1.521 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.275 17.181 2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 40 3.329 15.961 4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.944 16.328 4.024 1.00 0.00 H new ATOM 0 HE3 LYS A 40 5.564 17.813 3.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.689 18.178 5.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.108 18.461 5.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.476 17.022 5.838 1.00 0.00 H new ATOM 575 N GLU A 41 3.294 12.152 2.866 1.00 0.00 N ATOM 576 CA GLU A 41 3.845 11.211 3.880 1.00 0.00 C ATOM 577 C GLU A 41 4.082 9.843 3.237 1.00 0.00 C ATOM 578 O GLU A 41 4.905 9.070 3.686 1.00 0.00 O ATOM 579 CB GLU A 41 2.847 11.067 5.032 1.00 0.00 C ATOM 580 CG GLU A 41 3.588 11.163 6.366 1.00 0.00 C ATOM 581 CD GLU A 41 3.080 12.377 7.145 1.00 0.00 C ATOM 582 OE1 GLU A 41 3.178 13.475 6.623 1.00 0.00 O ATOM 583 OE2 GLU A 41 2.600 12.187 8.251 1.00 0.00 O ATOM 0 H GLU A 41 2.329 12.444 3.024 1.00 0.00 H new ATOM 0 HA GLU A 41 4.790 11.599 4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 41 2.088 11.847 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.328 10.111 4.960 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.433 10.254 6.947 1.00 0.00 H new ATOM 0 HG3 GLU A 41 4.661 11.251 6.193 1.00 0.00 H new ATOM 590 N LEU A 42 3.369 9.536 2.188 1.00 0.00 N ATOM 591 CA LEU A 42 3.556 8.216 1.519 1.00 0.00 C ATOM 592 C LEU A 42 4.796 8.266 0.623 1.00 0.00 C ATOM 593 O LEU A 42 5.147 7.298 -0.022 1.00 0.00 O ATOM 594 CB LEU A 42 2.324 7.897 0.669 1.00 0.00 C ATOM 595 CG LEU A 42 2.616 6.692 -0.225 1.00 0.00 C ATOM 596 CD1 LEU A 42 1.367 5.814 -0.324 1.00 0.00 C ATOM 597 CD2 LEU A 42 3.009 7.179 -1.621 1.00 0.00 C ATOM 0 H LEU A 42 2.665 10.141 1.765 1.00 0.00 H new ATOM 0 HA LEU A 42 3.687 7.442 2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.470 7.686 1.313 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.058 8.760 0.058 1.00 0.00 H new ATOM 0 HG LEU A 42 3.434 6.112 0.202 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.576 4.955 -0.962 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.086 5.468 0.671 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.548 6.393 -0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 42 3.218 6.321 -2.260 1.00 0.00 H new ATOM 0 HD22 LEU A 42 2.191 7.759 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 42 3.899 7.804 -1.551 1.00 0.00 H new ATOM 609 N GLY A 43 5.466 9.385 0.578 1.00 0.00 N ATOM 610 CA GLY A 43 6.682 9.489 -0.277 1.00 0.00 C ATOM 611 C GLY A 43 7.902 9.770 0.602 1.00 0.00 C ATOM 612 O GLY A 43 9.027 9.522 0.216 1.00 0.00 O ATOM 0 H GLY A 43 5.224 10.230 1.095 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.828 8.564 -0.834 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.557 10.286 -1.010 1.00 0.00 H new ATOM 616 N THR A 44 7.688 10.287 1.780 1.00 0.00 N ATOM 617 CA THR A 44 8.834 10.586 2.685 1.00 0.00 C ATOM 618 C THR A 44 9.290 9.300 3.380 1.00 0.00 C ATOM 619 O THR A 44 10.245 9.295 4.131 1.00 0.00 O ATOM 620 CB THR A 44 8.395 11.607 3.738 1.00 0.00 C ATOM 621 OG1 THR A 44 9.499 11.927 4.574 1.00 0.00 O ATOM 622 CG2 THR A 44 7.265 11.015 4.582 1.00 0.00 C ATOM 0 H THR A 44 6.768 10.516 2.156 1.00 0.00 H new ATOM 0 HA THR A 44 9.660 10.993 2.102 1.00 0.00 H new ATOM 0 HB THR A 44 8.040 12.512 3.244 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.056 11.131 4.699 1.00 0.00 H new ATOM 0 HG21 THR A 44 6.952 11.741 5.332 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.420 10.771 3.938 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.617 10.110 5.078 1.00 0.00 H new ATOM 630 N VAL A 45 8.616 8.209 3.136 1.00 0.00 N ATOM 631 CA VAL A 45 9.012 6.927 3.783 1.00 0.00 C ATOM 632 C VAL A 45 10.060 6.226 2.918 1.00 0.00 C ATOM 633 O VAL A 45 11.052 5.726 3.410 1.00 0.00 O ATOM 634 CB VAL A 45 7.783 6.027 3.919 1.00 0.00 C ATOM 635 CG1 VAL A 45 7.308 5.598 2.530 1.00 0.00 C ATOM 636 CG2 VAL A 45 8.148 4.787 4.737 1.00 0.00 C ATOM 0 H VAL A 45 7.808 8.151 2.516 1.00 0.00 H new ATOM 0 HA VAL A 45 9.428 7.129 4.770 1.00 0.00 H new ATOM 0 HB VAL A 45 6.986 6.574 4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.432 4.957 2.627 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.048 6.481 1.946 1.00 0.00 H new ATOM 0 HG13 VAL A 45 8.105 5.051 2.026 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.273 4.145 4.835 1.00 0.00 H new ATOM 0 HG22 VAL A 45 8.945 4.240 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 45 8.487 5.091 5.727 1.00 0.00 H new ATOM 646 N MET A 46 9.851 6.190 1.631 1.00 0.00 N ATOM 647 CA MET A 46 10.837 5.526 0.735 1.00 0.00 C ATOM 648 C MET A 46 11.975 6.501 0.426 1.00 0.00 C ATOM 649 O MET A 46 13.068 6.103 0.075 1.00 0.00 O ATOM 650 CB MET A 46 10.148 5.111 -0.567 1.00 0.00 C ATOM 651 CG MET A 46 9.450 6.323 -1.187 1.00 0.00 C ATOM 652 SD MET A 46 7.665 6.194 -0.914 1.00 0.00 S ATOM 653 CE MET A 46 7.441 4.550 -1.637 1.00 0.00 C ATOM 0 H MET A 46 9.040 6.592 1.162 1.00 0.00 H new ATOM 0 HA MET A 46 11.239 4.640 1.227 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.880 4.704 -1.264 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.422 4.322 -0.371 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.831 7.243 -0.743 1.00 0.00 H new ATOM 0 HG3 MET A 46 9.663 6.372 -2.255 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.474 4.502 -2.138 1.00 0.00 H new ATOM 0 HE2 MET A 46 8.235 4.359 -2.359 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.479 3.798 -0.849 1.00 0.00 H new ATOM 663 N ARG A 47 11.727 7.778 0.558 1.00 0.00 N ATOM 664 CA ARG A 47 12.797 8.777 0.275 1.00 0.00 C ATOM 665 C ARG A 47 14.012 8.479 1.154 1.00 0.00 C ATOM 666 O ARG A 47 15.142 8.696 0.764 1.00 0.00 O ATOM 667 CB ARG A 47 12.276 10.188 0.575 1.00 0.00 C ATOM 668 CG ARG A 47 12.255 10.426 2.088 1.00 0.00 C ATOM 669 CD ARG A 47 13.639 10.891 2.553 1.00 0.00 C ATOM 670 NE ARG A 47 13.492 12.073 3.449 1.00 0.00 N ATOM 671 CZ ARG A 47 14.538 12.562 4.060 1.00 0.00 C ATOM 672 NH1 ARG A 47 15.337 13.380 3.432 1.00 0.00 N ATOM 673 NH2 ARG A 47 14.783 12.233 5.300 1.00 0.00 N ATOM 0 H ARG A 47 10.832 8.171 0.849 1.00 0.00 H new ATOM 0 HA ARG A 47 13.084 8.717 -0.775 1.00 0.00 H new ATOM 0 HB2 ARG A 47 12.911 10.930 0.090 1.00 0.00 H new ATOM 0 HB3 ARG A 47 11.273 10.310 0.165 1.00 0.00 H new ATOM 0 HG2 ARG A 47 11.505 11.176 2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.975 9.509 2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.148 10.083 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.256 11.149 1.692 1.00 0.00 H new ATOM 0 HE ARG A 47 12.576 12.500 3.585 1.00 0.00 H new ATOM 0 HH11 ARG A 47 15.145 13.638 2.464 1.00 0.00 H new ATOM 0 HH12 ARG A 47 16.154 13.762 3.909 1.00 0.00 H new ATOM 0 HH21 ARG A 47 14.158 11.594 5.791 1.00 0.00 H new ATOM 0 HH22 ARG A 47 15.600 12.615 5.777 1.00 0.00 H new ATOM 687 N MET A 48 13.788 7.984 2.341 1.00 0.00 N ATOM 688 CA MET A 48 14.931 7.674 3.245 1.00 0.00 C ATOM 689 C MET A 48 16.020 6.944 2.456 1.00 0.00 C ATOM 690 O MET A 48 16.933 7.551 1.933 1.00 0.00 O ATOM 691 CB MET A 48 14.448 6.783 4.392 1.00 0.00 C ATOM 692 CG MET A 48 14.246 7.630 5.649 1.00 0.00 C ATOM 693 SD MET A 48 13.466 6.623 6.936 1.00 0.00 S ATOM 694 CE MET A 48 12.039 7.696 7.231 1.00 0.00 C ATOM 0 H MET A 48 12.864 7.781 2.723 1.00 0.00 H new ATOM 0 HA MET A 48 15.335 8.601 3.651 1.00 0.00 H new ATOM 0 HB2 MET A 48 13.514 6.293 4.117 1.00 0.00 H new ATOM 0 HB3 MET A 48 15.176 5.995 4.585 1.00 0.00 H new ATOM 0 HG2 MET A 48 15.204 8.011 6.001 1.00 0.00 H new ATOM 0 HG3 MET A 48 13.623 8.495 5.421 1.00 0.00 H new ATOM 0 HE1 MET A 48 11.409 7.259 8.005 1.00 0.00 H new ATOM 0 HE2 MET A 48 12.383 8.678 7.555 1.00 0.00 H new ATOM 0 HE3 MET A 48 11.464 7.799 6.310 1.00 0.00 H new ATOM 704 N LEU A 49 15.931 5.646 2.366 1.00 0.00 N ATOM 705 CA LEU A 49 16.961 4.878 1.613 1.00 0.00 C ATOM 706 C LEU A 49 16.536 4.742 0.150 1.00 0.00 C ATOM 707 O LEU A 49 16.667 3.692 -0.448 1.00 0.00 O ATOM 708 CB LEU A 49 17.112 3.487 2.233 1.00 0.00 C ATOM 709 CG LEU A 49 15.766 2.761 2.196 1.00 0.00 C ATOM 710 CD1 LEU A 49 15.948 1.371 1.584 1.00 0.00 C ATOM 711 CD2 LEU A 49 15.224 2.620 3.621 1.00 0.00 C ATOM 0 H LEU A 49 15.189 5.084 2.782 1.00 0.00 H new ATOM 0 HA LEU A 49 17.914 5.405 1.663 1.00 0.00 H new ATOM 0 HB2 LEU A 49 17.861 2.914 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 49 17.463 3.572 3.261 1.00 0.00 H new ATOM 0 HG LEU A 49 15.063 3.334 1.591 1.00 0.00 H new ATOM 0 HD11 LEU A 49 14.988 0.856 1.559 1.00 0.00 H new ATOM 0 HD12 LEU A 49 16.334 1.468 0.569 1.00 0.00 H new ATOM 0 HD13 LEU A 49 16.652 0.797 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 49 14.265 2.103 3.596 1.00 0.00 H new ATOM 0 HD22 LEU A 49 15.929 2.048 4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.091 3.609 4.059 1.00 0.00 H new ATOM 723 N GLY A 50 16.027 5.793 -0.433 1.00 0.00 N ATOM 724 CA GLY A 50 15.595 5.718 -1.857 1.00 0.00 C ATOM 725 C GLY A 50 15.951 7.023 -2.571 1.00 0.00 C ATOM 726 O GLY A 50 17.107 7.373 -2.707 1.00 0.00 O ATOM 0 H GLY A 50 15.892 6.699 0.015 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.081 4.877 -2.351 1.00 0.00 H new ATOM 0 HA3 GLY A 50 14.521 5.543 -1.913 1.00 0.00 H new ATOM 730 N GLN A 51 14.965 7.748 -3.028 1.00 0.00 N ATOM 731 CA GLN A 51 15.240 9.032 -3.732 1.00 0.00 C ATOM 732 C GLN A 51 14.166 10.025 -3.338 1.00 0.00 C ATOM 733 O GLN A 51 13.023 9.652 -3.167 1.00 0.00 O ATOM 734 CB GLN A 51 15.149 8.837 -5.248 1.00 0.00 C ATOM 735 CG GLN A 51 15.270 7.354 -5.608 1.00 0.00 C ATOM 736 CD GLN A 51 16.719 6.900 -5.431 1.00 0.00 C ATOM 737 OE1 GLN A 51 16.993 5.980 -4.686 1.00 0.00 O ATOM 738 NE2 GLN A 51 17.666 7.510 -6.090 1.00 0.00 N ATOM 0 H GLN A 51 13.978 7.504 -2.943 1.00 0.00 H new ATOM 0 HA GLN A 51 16.237 9.381 -3.463 1.00 0.00 H new ATOM 0 HB2 GLN A 51 14.200 9.230 -5.614 1.00 0.00 H new ATOM 0 HB3 GLN A 51 15.940 9.402 -5.741 1.00 0.00 H new ATOM 0 HG2 GLN A 51 14.612 6.760 -4.973 1.00 0.00 H new ATOM 0 HG3 GLN A 51 14.951 7.192 -6.638 1.00 0.00 H new ATOM 0 HE21 GLN A 51 17.436 8.282 -6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 51 18.636 7.214 -5.980 1.00 0.00 H new ATOM 747 N ASN A 52 14.470 11.286 -3.214 1.00 0.00 N ATOM 748 CA ASN A 52 13.361 12.191 -2.863 1.00 0.00 C ATOM 749 C ASN A 52 12.345 12.050 -3.996 1.00 0.00 C ATOM 750 O ASN A 52 12.699 12.180 -5.151 1.00 0.00 O ATOM 751 CB ASN A 52 13.864 13.634 -2.798 1.00 0.00 C ATOM 752 CG ASN A 52 15.137 13.697 -1.951 1.00 0.00 C ATOM 753 OD1 ASN A 52 15.587 12.693 -1.434 1.00 0.00 O ATOM 754 ND2 ASN A 52 15.742 14.842 -1.787 1.00 0.00 N ATOM 0 H ASN A 52 15.391 11.707 -3.334 1.00 0.00 H new ATOM 0 HA ASN A 52 12.930 11.945 -1.893 1.00 0.00 H new ATOM 0 HB2 ASN A 52 14.065 14.005 -3.803 1.00 0.00 H new ATOM 0 HB3 ASN A 52 13.097 14.278 -2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 52 16.592 14.894 -1.225 1.00 0.00 H new ATOM 0 HD22 ASN A 52 15.365 15.685 -2.221 1.00 0.00 H new ATOM 761 N PRO A 53 11.122 11.789 -3.650 1.00 0.00 N ATOM 762 CA PRO A 53 10.052 11.625 -4.635 1.00 0.00 C ATOM 763 C PRO A 53 9.337 12.957 -4.883 1.00 0.00 C ATOM 764 O PRO A 53 9.524 13.918 -4.165 1.00 0.00 O ATOM 765 CB PRO A 53 9.124 10.626 -3.946 1.00 0.00 C ATOM 766 CG PRO A 53 9.391 10.758 -2.423 1.00 0.00 C ATOM 767 CD PRO A 53 10.692 11.562 -2.262 1.00 0.00 C ATOM 0 HA PRO A 53 10.401 11.292 -5.613 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.081 10.842 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.323 9.611 -4.289 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.562 11.264 -1.929 1.00 0.00 H new ATOM 0 HG3 PRO A 53 9.486 9.775 -1.962 1.00 0.00 H new ATOM 0 HD2 PRO A 53 10.522 12.501 -1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 53 11.440 11.008 -1.694 1.00 0.00 H new ATOM 775 N THR A 54 8.513 13.018 -5.894 1.00 0.00 N ATOM 776 CA THR A 54 7.780 14.283 -6.187 1.00 0.00 C ATOM 777 C THR A 54 6.377 14.204 -5.588 1.00 0.00 C ATOM 778 O THR A 54 5.827 13.135 -5.412 1.00 0.00 O ATOM 779 CB THR A 54 7.666 14.470 -7.700 1.00 0.00 C ATOM 780 OG1 THR A 54 8.906 14.145 -8.313 1.00 0.00 O ATOM 781 CG2 THR A 54 7.304 15.921 -8.012 1.00 0.00 C ATOM 0 H THR A 54 8.316 12.246 -6.530 1.00 0.00 H new ATOM 0 HA THR A 54 8.322 15.124 -5.754 1.00 0.00 H new ATOM 0 HB THR A 54 6.887 13.814 -8.088 1.00 0.00 H new ATOM 0 HG1 THR A 54 8.832 14.263 -9.283 1.00 0.00 H new ATOM 0 HG21 THR A 54 7.223 16.052 -9.091 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.351 16.167 -7.544 1.00 0.00 H new ATOM 0 HG23 THR A 54 8.080 16.581 -7.623 1.00 0.00 H new ATOM 789 N LYS A 55 5.786 15.326 -5.282 1.00 0.00 N ATOM 790 CA LYS A 55 4.415 15.301 -4.704 1.00 0.00 C ATOM 791 C LYS A 55 3.473 14.610 -5.687 1.00 0.00 C ATOM 792 O LYS A 55 2.528 13.951 -5.300 1.00 0.00 O ATOM 793 CB LYS A 55 3.930 16.730 -4.459 1.00 0.00 C ATOM 794 CG LYS A 55 2.573 16.690 -3.751 1.00 0.00 C ATOM 795 CD LYS A 55 1.537 17.440 -4.589 1.00 0.00 C ATOM 796 CE LYS A 55 0.233 17.567 -3.799 1.00 0.00 C ATOM 797 NZ LYS A 55 -0.845 18.075 -4.692 1.00 0.00 N ATOM 0 H LYS A 55 6.191 16.254 -5.407 1.00 0.00 H new ATOM 0 HA LYS A 55 4.429 14.760 -3.758 1.00 0.00 H new ATOM 0 HB2 LYS A 55 4.654 17.273 -3.851 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.844 17.264 -5.405 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.258 15.657 -3.604 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.653 17.143 -2.763 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.913 18.429 -4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.357 16.909 -5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.049 16.599 -3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.371 18.245 -2.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.730 18.161 -4.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.576 19.007 -5.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.983 17.412 -5.482 1.00 0.00 H new ATOM 811 N GLU A 56 3.724 14.753 -6.958 1.00 0.00 N ATOM 812 CA GLU A 56 2.846 14.102 -7.965 1.00 0.00 C ATOM 813 C GLU A 56 3.314 12.662 -8.181 1.00 0.00 C ATOM 814 O GLU A 56 2.555 11.806 -8.592 1.00 0.00 O ATOM 815 CB GLU A 56 2.926 14.870 -9.286 1.00 0.00 C ATOM 816 CG GLU A 56 1.516 15.085 -9.838 1.00 0.00 C ATOM 817 CD GLU A 56 1.489 16.349 -10.698 1.00 0.00 C ATOM 818 OE1 GLU A 56 2.511 17.009 -10.778 1.00 0.00 O ATOM 819 OE2 GLU A 56 0.447 16.635 -11.264 1.00 0.00 O ATOM 0 H GLU A 56 4.500 15.293 -7.342 1.00 0.00 H new ATOM 0 HA GLU A 56 1.815 14.104 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 56 3.418 15.830 -9.131 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.529 14.316 -10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.211 14.223 -10.431 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.803 15.176 -9.018 1.00 0.00 H new ATOM 826 N GLU A 57 4.560 12.388 -7.906 1.00 0.00 N ATOM 827 CA GLU A 57 5.079 11.004 -8.092 1.00 0.00 C ATOM 828 C GLU A 57 4.230 10.028 -7.275 1.00 0.00 C ATOM 829 O GLU A 57 3.836 8.982 -7.750 1.00 0.00 O ATOM 830 CB GLU A 57 6.533 10.933 -7.619 1.00 0.00 C ATOM 831 CG GLU A 57 7.051 9.501 -7.772 1.00 0.00 C ATOM 832 CD GLU A 57 7.401 9.239 -9.238 1.00 0.00 C ATOM 833 OE1 GLU A 57 6.523 8.815 -9.970 1.00 0.00 O ATOM 834 OE2 GLU A 57 8.544 9.464 -9.603 1.00 0.00 O ATOM 0 H GLU A 57 5.241 13.064 -7.560 1.00 0.00 H new ATOM 0 HA GLU A 57 5.028 10.737 -9.148 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.150 11.618 -8.201 1.00 0.00 H new ATOM 0 HB3 GLU A 57 6.603 11.247 -6.578 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.930 9.352 -7.145 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.295 8.792 -7.435 1.00 0.00 H new ATOM 841 N LEU A 58 3.941 10.364 -6.046 1.00 0.00 N ATOM 842 CA LEU A 58 3.113 9.458 -5.201 1.00 0.00 C ATOM 843 C LEU A 58 1.686 9.428 -5.746 1.00 0.00 C ATOM 844 O LEU A 58 0.937 8.503 -5.506 1.00 0.00 O ATOM 845 CB LEU A 58 3.095 9.968 -3.755 1.00 0.00 C ATOM 846 CG LEU A 58 4.498 9.868 -3.141 1.00 0.00 C ATOM 847 CD1 LEU A 58 5.157 8.546 -3.546 1.00 0.00 C ATOM 848 CD2 LEU A 58 5.355 11.036 -3.633 1.00 0.00 C ATOM 0 H LEU A 58 4.243 11.226 -5.592 1.00 0.00 H new ATOM 0 HA LEU A 58 3.538 8.455 -5.222 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.752 11.002 -3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.389 9.384 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 58 4.414 9.906 -2.055 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.152 8.485 -3.105 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.551 7.713 -3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.238 8.497 -4.632 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.351 10.965 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 58 5.431 10.999 -4.720 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.894 11.977 -3.333 1.00 0.00 H new ATOM 860 N ASP A 59 1.306 10.436 -6.482 1.00 0.00 N ATOM 861 CA ASP A 59 -0.071 10.468 -7.047 1.00 0.00 C ATOM 862 C ASP A 59 -0.245 9.306 -8.026 1.00 0.00 C ATOM 863 O ASP A 59 -1.346 8.868 -8.296 1.00 0.00 O ATOM 864 CB ASP A 59 -0.288 11.792 -7.781 1.00 0.00 C ATOM 865 CG ASP A 59 -1.735 11.875 -8.271 1.00 0.00 C ATOM 866 OD1 ASP A 59 -2.020 11.311 -9.314 1.00 0.00 O ATOM 867 OD2 ASP A 59 -2.533 12.502 -7.593 1.00 0.00 O ATOM 0 H ASP A 59 1.890 11.239 -6.716 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.799 10.376 -6.241 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -0.070 12.628 -7.116 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.398 11.868 -8.625 1.00 0.00 H new ATOM 872 N ALA A 60 0.833 8.803 -8.559 1.00 0.00 N ATOM 873 CA ALA A 60 0.731 7.669 -9.520 1.00 0.00 C ATOM 874 C ALA A 60 0.313 6.404 -8.770 1.00 0.00 C ATOM 875 O ALA A 60 -0.725 5.830 -9.034 1.00 0.00 O ATOM 876 CB ALA A 60 2.089 7.443 -10.187 1.00 0.00 C ATOM 0 H ALA A 60 1.781 9.128 -8.371 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.013 7.902 -10.282 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.015 6.613 -10.890 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.387 8.346 -10.720 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.834 7.209 -9.426 1.00 0.00 H new ATOM 882 N ILE A 61 1.107 5.968 -7.831 1.00 0.00 N ATOM 883 CA ILE A 61 0.739 4.742 -7.067 1.00 0.00 C ATOM 884 C ILE A 61 -0.633 4.950 -6.434 1.00 0.00 C ATOM 885 O ILE A 61 -1.404 4.022 -6.278 1.00 0.00 O ATOM 886 CB ILE A 61 1.763 4.480 -5.960 1.00 0.00 C ATOM 887 CG1 ILE A 61 3.150 4.907 -6.427 1.00 0.00 C ATOM 888 CG2 ILE A 61 1.783 2.993 -5.621 1.00 0.00 C ATOM 889 CD1 ILE A 61 3.497 6.238 -5.772 1.00 0.00 C ATOM 0 H ILE A 61 1.989 6.404 -7.561 1.00 0.00 H new ATOM 0 HA ILE A 61 0.721 3.889 -7.745 1.00 0.00 H new ATOM 0 HB ILE A 61 1.485 5.054 -5.076 1.00 0.00 H new ATOM 0 HG12 ILE A 61 3.888 4.151 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 61 3.170 5.003 -7.513 1.00 0.00 H new ATOM 0 HG21 ILE A 61 2.513 2.809 -4.833 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.795 2.684 -5.280 1.00 0.00 H new ATOM 0 HG23 ILE A 61 2.056 2.421 -6.508 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.488 6.556 -6.097 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.762 6.989 -6.061 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.491 6.123 -4.688 1.00 0.00 H new ATOM 901 N ILE A 62 -0.947 6.161 -6.063 1.00 0.00 N ATOM 902 CA ILE A 62 -2.271 6.419 -5.438 1.00 0.00 C ATOM 903 C ILE A 62 -3.371 6.154 -6.467 1.00 0.00 C ATOM 904 O ILE A 62 -4.399 5.589 -6.159 1.00 0.00 O ATOM 905 CB ILE A 62 -2.349 7.871 -4.956 1.00 0.00 C ATOM 906 CG1 ILE A 62 -1.481 8.013 -3.687 1.00 0.00 C ATOM 907 CG2 ILE A 62 -3.814 8.234 -4.670 1.00 0.00 C ATOM 908 CD1 ILE A 62 -2.238 8.735 -2.563 1.00 0.00 C ATOM 0 H ILE A 62 -0.346 6.978 -6.166 1.00 0.00 H new ATOM 0 HA ILE A 62 -2.403 5.758 -4.582 1.00 0.00 H new ATOM 0 HB ILE A 62 -1.974 8.553 -5.719 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -1.173 7.025 -3.343 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -0.572 8.564 -3.927 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.873 9.267 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -4.402 8.121 -5.581 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.209 7.572 -3.899 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -1.596 8.817 -1.686 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -2.523 9.732 -2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.133 8.169 -2.306 1.00 0.00 H new ATOM 920 N GLU A 63 -3.162 6.554 -7.691 1.00 0.00 N ATOM 921 CA GLU A 63 -4.197 6.314 -8.734 1.00 0.00 C ATOM 922 C GLU A 63 -4.394 4.806 -8.903 1.00 0.00 C ATOM 923 O GLU A 63 -5.344 4.357 -9.515 1.00 0.00 O ATOM 924 CB GLU A 63 -3.738 6.927 -10.060 1.00 0.00 C ATOM 925 CG GLU A 63 -4.729 6.558 -11.166 1.00 0.00 C ATOM 926 CD GLU A 63 -4.411 7.366 -12.426 1.00 0.00 C ATOM 927 OE1 GLU A 63 -3.306 7.233 -12.929 1.00 0.00 O ATOM 928 OE2 GLU A 63 -5.276 8.102 -12.868 1.00 0.00 O ATOM 0 H GLU A 63 -2.322 7.035 -8.013 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.138 6.775 -8.434 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.669 8.011 -9.967 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.742 6.565 -10.314 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.670 5.491 -11.381 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.748 6.761 -10.838 1.00 0.00 H new ATOM 935 N GLU A 64 -3.499 4.021 -8.366 1.00 0.00 N ATOM 936 CA GLU A 64 -3.624 2.541 -8.493 1.00 0.00 C ATOM 937 C GLU A 64 -4.899 2.059 -7.792 1.00 0.00 C ATOM 938 O GLU A 64 -5.472 1.052 -8.157 1.00 0.00 O ATOM 939 CB GLU A 64 -2.410 1.868 -7.849 1.00 0.00 C ATOM 940 CG GLU A 64 -2.375 0.390 -8.246 1.00 0.00 C ATOM 941 CD GLU A 64 -2.130 0.270 -9.752 1.00 0.00 C ATOM 942 OE1 GLU A 64 -1.906 1.292 -10.379 1.00 0.00 O ATOM 943 OE2 GLU A 64 -2.171 -0.843 -10.251 1.00 0.00 O ATOM 0 H GLU A 64 -2.684 4.343 -7.843 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.674 2.279 -9.550 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.494 2.363 -8.170 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.461 1.963 -6.764 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -1.588 -0.126 -7.697 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -3.317 -0.091 -7.981 1.00 0.00 H new ATOM 950 N VAL A 65 -5.350 2.762 -6.785 1.00 0.00 N ATOM 951 CA VAL A 65 -6.581 2.328 -6.076 1.00 0.00 C ATOM 952 C VAL A 65 -7.381 3.561 -5.661 1.00 0.00 C ATOM 953 O VAL A 65 -8.581 3.591 -5.824 1.00 0.00 O ATOM 954 CB VAL A 65 -6.200 1.526 -4.830 1.00 0.00 C ATOM 955 CG1 VAL A 65 -5.976 0.061 -5.209 1.00 0.00 C ATOM 956 CG2 VAL A 65 -4.915 2.099 -4.229 1.00 0.00 C ATOM 0 H VAL A 65 -4.918 3.614 -6.427 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.182 1.704 -6.737 1.00 0.00 H new ATOM 0 HB VAL A 65 -7.006 1.590 -4.099 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -5.705 -0.508 -4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -6.891 -0.348 -5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.172 -0.006 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.643 1.528 -3.341 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.111 2.036 -4.962 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.075 3.142 -3.955 1.00 0.00 H new ATOM 966 N ASP A 66 -6.700 4.560 -5.130 1.00 0.00 N ATOM 967 CA ASP A 66 -7.353 5.836 -4.664 1.00 0.00 C ATOM 968 C ASP A 66 -8.874 5.787 -4.823 1.00 0.00 C ATOM 969 O ASP A 66 -9.460 6.539 -5.576 1.00 0.00 O ATOM 970 CB ASP A 66 -6.803 7.007 -5.479 1.00 0.00 C ATOM 971 CG ASP A 66 -7.193 6.836 -6.948 1.00 0.00 C ATOM 972 OD1 ASP A 66 -7.127 5.717 -7.431 1.00 0.00 O ATOM 973 OD2 ASP A 66 -7.549 7.826 -7.565 1.00 0.00 O ATOM 0 H ASP A 66 -5.689 4.541 -4.997 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.128 5.962 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.197 7.948 -5.095 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.718 7.053 -5.383 1.00 0.00 H new ATOM 978 N GLU A 67 -9.510 4.898 -4.114 1.00 0.00 N ATOM 979 CA GLU A 67 -10.994 4.777 -4.209 1.00 0.00 C ATOM 980 C GLU A 67 -11.639 6.152 -4.027 1.00 0.00 C ATOM 981 O GLU A 67 -12.124 6.750 -4.967 1.00 0.00 O ATOM 982 CB GLU A 67 -11.496 3.834 -3.114 1.00 0.00 C ATOM 983 CG GLU A 67 -12.026 2.550 -3.751 1.00 0.00 C ATOM 984 CD GLU A 67 -13.535 2.672 -3.966 1.00 0.00 C ATOM 985 OE1 GLU A 67 -13.926 3.283 -4.947 1.00 0.00 O ATOM 986 OE2 GLU A 67 -14.275 2.153 -3.146 1.00 0.00 O ATOM 0 H GLU A 67 -9.065 4.246 -3.469 1.00 0.00 H new ATOM 0 HA GLU A 67 -11.261 4.381 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -10.688 3.602 -2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -12.283 4.317 -2.536 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.526 2.370 -4.703 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.807 1.696 -3.110 1.00 0.00 H new ATOM 993 N ASP A 68 -11.649 6.656 -2.825 1.00 0.00 N ATOM 994 CA ASP A 68 -12.262 7.990 -2.582 1.00 0.00 C ATOM 995 C ASP A 68 -11.310 8.828 -1.729 1.00 0.00 C ATOM 996 O ASP A 68 -11.647 9.906 -1.280 1.00 0.00 O ATOM 997 CB ASP A 68 -13.595 7.825 -1.845 1.00 0.00 C ATOM 998 CG ASP A 68 -14.202 6.457 -2.167 1.00 0.00 C ATOM 999 OD1 ASP A 68 -14.566 6.247 -3.313 1.00 0.00 O ATOM 1000 OD2 ASP A 68 -14.288 5.641 -1.264 1.00 0.00 O ATOM 0 H ASP A 68 -11.259 6.201 -2.000 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.441 8.486 -3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.441 7.920 -0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.284 8.617 -2.139 1.00 0.00 H new ATOM 1005 N GLY A 69 -10.116 8.347 -1.514 1.00 0.00 N ATOM 1006 CA GLY A 69 -9.137 9.118 -0.709 1.00 0.00 C ATOM 1007 C GLY A 69 -8.227 9.867 -1.671 1.00 0.00 C ATOM 1008 O GLY A 69 -7.059 9.589 -1.769 1.00 0.00 O ATOM 0 H GLY A 69 -9.779 7.450 -1.864 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.652 9.816 -0.049 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.554 8.450 -0.075 1.00 0.00 H new ATOM 1012 N SER A 70 -8.783 10.795 -2.396 1.00 0.00 N ATOM 1013 CA SER A 70 -7.999 11.585 -3.395 1.00 0.00 C ATOM 1014 C SER A 70 -6.648 12.027 -2.818 1.00 0.00 C ATOM 1015 O SER A 70 -6.495 13.147 -2.372 1.00 0.00 O ATOM 1016 CB SER A 70 -8.808 12.819 -3.794 1.00 0.00 C ATOM 1017 OG SER A 70 -8.539 13.140 -5.154 1.00 0.00 O ATOM 0 H SER A 70 -9.770 11.047 -2.340 1.00 0.00 H new ATOM 0 HA SER A 70 -7.807 10.956 -4.264 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.873 12.630 -3.657 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.549 13.661 -3.152 1.00 0.00 H new ATOM 0 HG SER A 70 -9.058 13.930 -5.412 1.00 0.00 H new ATOM 1023 N GLY A 71 -5.664 11.167 -2.837 1.00 0.00 N ATOM 1024 CA GLY A 71 -4.325 11.559 -2.306 1.00 0.00 C ATOM 1025 C GLY A 71 -4.022 10.810 -1.003 1.00 0.00 C ATOM 1026 O GLY A 71 -3.341 11.318 -0.134 1.00 0.00 O ATOM 0 H GLY A 71 -5.729 10.214 -3.195 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -3.555 11.339 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -4.298 12.634 -2.129 1.00 0.00 H new ATOM 1030 N THR A 72 -4.509 9.607 -0.859 1.00 0.00 N ATOM 1031 CA THR A 72 -4.227 8.839 0.393 1.00 0.00 C ATOM 1032 C THR A 72 -4.458 7.345 0.141 1.00 0.00 C ATOM 1033 O THR A 72 -5.123 6.959 -0.800 1.00 0.00 O ATOM 1034 CB THR A 72 -5.137 9.320 1.541 1.00 0.00 C ATOM 1035 OG1 THR A 72 -5.873 8.221 2.062 1.00 0.00 O ATOM 1036 CG2 THR A 72 -6.114 10.392 1.047 1.00 0.00 C ATOM 0 H THR A 72 -5.086 9.124 -1.547 1.00 0.00 H new ATOM 0 HA THR A 72 -3.189 9.006 0.680 1.00 0.00 H new ATOM 0 HB THR A 72 -4.508 9.749 2.321 1.00 0.00 H new ATOM 0 HG1 THR A 72 -6.449 8.530 2.792 1.00 0.00 H new ATOM 0 HG21 THR A 72 -6.746 10.717 1.873 1.00 0.00 H new ATOM 0 HG22 THR A 72 -5.555 11.244 0.661 1.00 0.00 H new ATOM 0 HG23 THR A 72 -6.737 9.979 0.254 1.00 0.00 H new ATOM 1044 N ILE A 73 -3.913 6.503 0.979 1.00 0.00 N ATOM 1045 CA ILE A 73 -4.098 5.034 0.794 1.00 0.00 C ATOM 1046 C ILE A 73 -4.254 4.364 2.160 1.00 0.00 C ATOM 1047 O ILE A 73 -3.655 4.772 3.135 1.00 0.00 O ATOM 1048 CB ILE A 73 -2.874 4.447 0.085 1.00 0.00 C ATOM 1049 CG1 ILE A 73 -2.871 4.889 -1.379 1.00 0.00 C ATOM 1050 CG2 ILE A 73 -2.929 2.919 0.151 1.00 0.00 C ATOM 1051 CD1 ILE A 73 -1.458 5.318 -1.779 1.00 0.00 C ATOM 0 H ILE A 73 -3.347 6.770 1.785 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.990 4.857 0.192 1.00 0.00 H new ATOM 0 HB ILE A 73 -1.968 4.802 0.576 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -3.209 4.073 -2.017 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.568 5.715 -1.522 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -2.058 2.501 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -2.932 2.600 1.193 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.836 2.566 -0.339 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -1.455 5.633 -2.822 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -1.137 6.147 -1.149 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -0.773 4.480 -1.651 1.00 0.00 H new ATOM 1063 N ASP A 74 -5.045 3.330 2.235 1.00 0.00 N ATOM 1064 CA ASP A 74 -5.228 2.626 3.535 1.00 0.00 C ATOM 1065 C ASP A 74 -4.341 1.380 3.548 1.00 0.00 C ATOM 1066 O ASP A 74 -3.524 1.182 2.671 1.00 0.00 O ATOM 1067 CB ASP A 74 -6.694 2.214 3.694 1.00 0.00 C ATOM 1068 CG ASP A 74 -7.250 2.797 4.996 1.00 0.00 C ATOM 1069 OD1 ASP A 74 -6.768 3.838 5.411 1.00 0.00 O ATOM 1070 OD2 ASP A 74 -8.150 2.192 5.556 1.00 0.00 O ATOM 0 H ASP A 74 -5.572 2.942 1.453 1.00 0.00 H new ATOM 0 HA ASP A 74 -4.953 3.287 4.357 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -7.277 2.571 2.845 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -6.778 1.127 3.704 1.00 0.00 H new ATOM 1075 N PHE A 75 -4.490 0.536 4.531 1.00 0.00 N ATOM 1076 CA PHE A 75 -3.647 -0.691 4.582 1.00 0.00 C ATOM 1077 C PHE A 75 -4.329 -1.801 3.769 1.00 0.00 C ATOM 1078 O PHE A 75 -3.704 -2.760 3.362 1.00 0.00 O ATOM 1079 CB PHE A 75 -3.448 -1.112 6.053 1.00 0.00 C ATOM 1080 CG PHE A 75 -4.351 -2.273 6.417 1.00 0.00 C ATOM 1081 CD1 PHE A 75 -5.699 -2.048 6.720 1.00 0.00 C ATOM 1082 CD2 PHE A 75 -3.835 -3.575 6.445 1.00 0.00 C ATOM 1083 CE1 PHE A 75 -6.531 -3.123 7.053 1.00 0.00 C ATOM 1084 CE2 PHE A 75 -4.666 -4.650 6.777 1.00 0.00 C ATOM 1085 CZ PHE A 75 -6.014 -4.425 7.080 1.00 0.00 C ATOM 0 H PHE A 75 -5.155 0.642 5.297 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.666 -0.499 4.148 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.407 -1.392 6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.657 -0.266 6.708 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.097 -1.044 6.697 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.795 -3.749 6.210 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.570 -2.949 7.289 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.268 -5.654 6.800 1.00 0.00 H new ATOM 0 HZ PHE A 75 -6.656 -5.255 7.335 1.00 0.00 H new ATOM 1095 N GLU A 76 -5.605 -1.672 3.532 1.00 0.00 N ATOM 1096 CA GLU A 76 -6.330 -2.711 2.749 1.00 0.00 C ATOM 1097 C GLU A 76 -5.814 -2.712 1.308 1.00 0.00 C ATOM 1098 O GLU A 76 -5.565 -3.751 0.728 1.00 0.00 O ATOM 1099 CB GLU A 76 -7.828 -2.398 2.755 1.00 0.00 C ATOM 1100 CG GLU A 76 -8.567 -3.409 1.877 1.00 0.00 C ATOM 1101 CD GLU A 76 -9.753 -2.723 1.197 1.00 0.00 C ATOM 1102 OE1 GLU A 76 -9.621 -1.560 0.855 1.00 0.00 O ATOM 1103 OE2 GLU A 76 -10.773 -3.372 1.032 1.00 0.00 O ATOM 0 H GLU A 76 -6.178 -0.890 3.848 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.162 -3.691 3.196 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -8.214 -2.436 3.774 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -8.000 -1.387 2.386 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -7.891 -3.818 1.126 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -8.915 -4.246 2.482 1.00 0.00 H new ATOM 1110 N GLU A 77 -5.648 -1.554 0.727 1.00 0.00 N ATOM 1111 CA GLU A 77 -5.145 -1.486 -0.676 1.00 0.00 C ATOM 1112 C GLU A 77 -3.658 -1.841 -0.698 1.00 0.00 C ATOM 1113 O GLU A 77 -3.216 -2.651 -1.487 1.00 0.00 O ATOM 1114 CB GLU A 77 -5.339 -0.069 -1.221 1.00 0.00 C ATOM 1115 CG GLU A 77 -6.833 0.228 -1.352 1.00 0.00 C ATOM 1116 CD GLU A 77 -7.231 1.300 -0.336 1.00 0.00 C ATOM 1117 OE1 GLU A 77 -7.073 1.055 0.848 1.00 0.00 O ATOM 1118 OE2 GLU A 77 -7.690 2.349 -0.761 1.00 0.00 O ATOM 0 H GLU A 77 -5.839 -0.652 1.163 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.698 -2.191 -1.296 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -4.871 0.655 -0.555 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -4.852 0.029 -2.191 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.060 0.568 -2.363 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.411 -0.680 -1.184 1.00 0.00 H new ATOM 1125 N PHE A 78 -2.886 -1.234 0.165 1.00 0.00 N ATOM 1126 CA PHE A 78 -1.423 -1.521 0.211 1.00 0.00 C ATOM 1127 C PHE A 78 -1.178 -3.018 -0.010 1.00 0.00 C ATOM 1128 O PHE A 78 -0.151 -3.419 -0.520 1.00 0.00 O ATOM 1129 CB PHE A 78 -0.874 -1.117 1.582 1.00 0.00 C ATOM 1130 CG PHE A 78 0.300 -0.184 1.407 1.00 0.00 C ATOM 1131 CD1 PHE A 78 0.263 0.817 0.428 1.00 0.00 C ATOM 1132 CD2 PHE A 78 1.427 -0.317 2.229 1.00 0.00 C ATOM 1133 CE1 PHE A 78 1.352 1.683 0.271 1.00 0.00 C ATOM 1134 CE2 PHE A 78 2.515 0.549 2.072 1.00 0.00 C ATOM 1135 CZ PHE A 78 2.478 1.549 1.092 1.00 0.00 C ATOM 0 H PHE A 78 -3.210 -0.546 0.845 1.00 0.00 H new ATOM 0 HA PHE A 78 -0.920 -0.955 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -1.654 -0.630 2.167 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -0.566 -2.004 2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.605 0.921 -0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.456 -1.088 2.984 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.323 2.455 -0.484 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.383 0.446 2.706 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.318 2.217 0.970 1.00 0.00 H new ATOM 1145 N LEU A 79 -2.111 -3.847 0.370 1.00 0.00 N ATOM 1146 CA LEU A 79 -1.927 -5.315 0.182 1.00 0.00 C ATOM 1147 C LEU A 79 -2.079 -5.668 -1.298 1.00 0.00 C ATOM 1148 O LEU A 79 -1.169 -6.178 -1.922 1.00 0.00 O ATOM 1149 CB LEU A 79 -2.986 -6.069 0.992 1.00 0.00 C ATOM 1150 CG LEU A 79 -2.359 -6.605 2.279 1.00 0.00 C ATOM 1151 CD1 LEU A 79 -2.115 -5.448 3.250 1.00 0.00 C ATOM 1152 CD2 LEU A 79 -3.309 -7.618 2.922 1.00 0.00 C ATOM 0 H LEU A 79 -2.993 -3.572 0.803 1.00 0.00 H new ATOM 0 HA LEU A 79 -0.932 -5.599 0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.818 -5.406 1.229 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.392 -6.891 0.403 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.410 -7.089 2.047 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.668 -5.831 4.167 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.440 -4.725 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.063 -4.963 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -2.864 -8.002 3.840 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.257 -7.132 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.484 -8.443 2.231 1.00 0.00 H new ATOM 1164 N VAL A 80 -3.226 -5.406 -1.863 1.00 0.00 N ATOM 1165 CA VAL A 80 -3.444 -5.732 -3.301 1.00 0.00 C ATOM 1166 C VAL A 80 -2.251 -5.254 -4.133 1.00 0.00 C ATOM 1167 O VAL A 80 -1.991 -5.759 -5.206 1.00 0.00 O ATOM 1168 CB VAL A 80 -4.716 -5.034 -3.789 1.00 0.00 C ATOM 1169 CG1 VAL A 80 -4.553 -3.521 -3.646 1.00 0.00 C ATOM 1170 CG2 VAL A 80 -4.960 -5.383 -5.259 1.00 0.00 C ATOM 0 H VAL A 80 -4.023 -4.980 -1.390 1.00 0.00 H new ATOM 0 HA VAL A 80 -3.547 -6.811 -3.413 1.00 0.00 H new ATOM 0 HB VAL A 80 -5.564 -5.367 -3.191 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -5.458 -3.023 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -4.380 -3.271 -2.599 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -3.704 -3.188 -4.243 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -5.866 -4.886 -5.606 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.112 -5.051 -5.858 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -5.076 -6.462 -5.362 1.00 0.00 H new ATOM 1180 N MET A 81 -1.527 -4.280 -3.652 1.00 0.00 N ATOM 1181 CA MET A 81 -0.359 -3.771 -4.425 1.00 0.00 C ATOM 1182 C MET A 81 0.879 -4.618 -4.117 1.00 0.00 C ATOM 1183 O MET A 81 1.618 -4.999 -5.003 1.00 0.00 O ATOM 1184 CB MET A 81 -0.089 -2.316 -4.039 1.00 0.00 C ATOM 1185 CG MET A 81 0.866 -1.688 -5.055 1.00 0.00 C ATOM 1186 SD MET A 81 1.220 0.021 -4.574 1.00 0.00 S ATOM 1187 CE MET A 81 2.187 -0.358 -3.092 1.00 0.00 C ATOM 0 H MET A 81 -1.694 -3.816 -2.759 1.00 0.00 H new ATOM 0 HA MET A 81 -0.580 -3.833 -5.491 1.00 0.00 H new ATOM 0 HB2 MET A 81 -1.024 -1.757 -4.009 1.00 0.00 H new ATOM 0 HB3 MET A 81 0.343 -2.268 -3.040 1.00 0.00 H new ATOM 0 HG2 MET A 81 1.791 -2.262 -5.104 1.00 0.00 H new ATOM 0 HG3 MET A 81 0.423 -1.713 -6.050 1.00 0.00 H new ATOM 0 HE1 MET A 81 2.994 0.367 -2.989 1.00 0.00 H new ATOM 0 HE2 MET A 81 1.542 -0.311 -2.215 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.608 -1.360 -3.179 1.00 0.00 H new ATOM 1197 N MET A 82 1.114 -4.912 -2.868 1.00 0.00 N ATOM 1198 CA MET A 82 2.307 -5.729 -2.506 1.00 0.00 C ATOM 1199 C MET A 82 2.209 -7.109 -3.163 1.00 0.00 C ATOM 1200 O MET A 82 3.196 -7.798 -3.325 1.00 0.00 O ATOM 1201 CB MET A 82 2.369 -5.889 -0.987 1.00 0.00 C ATOM 1202 CG MET A 82 2.857 -4.584 -0.356 1.00 0.00 C ATOM 1203 SD MET A 82 4.498 -4.839 0.366 1.00 0.00 S ATOM 1204 CE MET A 82 5.437 -3.916 -0.876 1.00 0.00 C ATOM 0 H MET A 82 0.532 -4.622 -2.082 1.00 0.00 H new ATOM 0 HA MET A 82 3.209 -5.228 -2.858 1.00 0.00 H new ATOM 0 HB2 MET A 82 1.384 -6.148 -0.597 1.00 0.00 H new ATOM 0 HB3 MET A 82 3.041 -6.706 -0.724 1.00 0.00 H new ATOM 0 HG2 MET A 82 2.898 -3.797 -1.109 1.00 0.00 H new ATOM 0 HG3 MET A 82 2.157 -4.255 0.412 1.00 0.00 H new ATOM 0 HE1 MET A 82 6.497 -3.942 -0.624 1.00 0.00 H new ATOM 0 HE2 MET A 82 5.286 -4.368 -1.856 1.00 0.00 H new ATOM 0 HE3 MET A 82 5.094 -2.881 -0.896 1.00 0.00 H new ATOM 1214 N VAL A 83 1.029 -7.520 -3.539 1.00 0.00 N ATOM 1215 CA VAL A 83 0.878 -8.857 -4.182 1.00 0.00 C ATOM 1216 C VAL A 83 1.192 -8.745 -5.676 1.00 0.00 C ATOM 1217 O VAL A 83 1.540 -9.714 -6.321 1.00 0.00 O ATOM 1218 CB VAL A 83 -0.556 -9.357 -3.997 1.00 0.00 C ATOM 1219 CG1 VAL A 83 -0.742 -10.671 -4.759 1.00 0.00 C ATOM 1220 CG2 VAL A 83 -0.827 -9.594 -2.510 1.00 0.00 C ATOM 0 H VAL A 83 0.165 -6.990 -3.429 1.00 0.00 H new ATOM 0 HA VAL A 83 1.569 -9.561 -3.718 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.251 -8.610 -4.381 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -1.764 -11.027 -4.627 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -0.549 -10.507 -5.819 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -0.046 -11.416 -4.374 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -1.849 -9.950 -2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -0.131 -10.340 -2.128 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -0.695 -8.661 -1.963 1.00 0.00 H new ATOM 1230 N ARG A 84 1.071 -7.571 -6.233 1.00 0.00 N ATOM 1231 CA ARG A 84 1.362 -7.402 -7.685 1.00 0.00 C ATOM 1232 C ARG A 84 2.868 -7.218 -7.889 1.00 0.00 C ATOM 1233 O ARG A 84 3.563 -8.124 -8.302 1.00 0.00 O ATOM 1234 CB ARG A 84 0.622 -6.173 -8.218 1.00 0.00 C ATOM 1235 CG ARG A 84 -0.860 -6.507 -8.401 1.00 0.00 C ATOM 1236 CD ARG A 84 -1.532 -5.415 -9.236 1.00 0.00 C ATOM 1237 NE ARG A 84 -1.763 -5.920 -10.619 1.00 0.00 N ATOM 1238 CZ ARG A 84 -2.754 -5.455 -11.327 1.00 0.00 C ATOM 1239 NH1 ARG A 84 -3.122 -4.210 -11.197 1.00 0.00 N ATOM 1240 NH2 ARG A 84 -3.380 -6.236 -12.166 1.00 0.00 N ATOM 0 H ARG A 84 0.783 -6.722 -5.746 1.00 0.00 H new ATOM 0 HA ARG A 84 1.028 -8.288 -8.224 1.00 0.00 H new ATOM 0 HB2 ARG A 84 0.735 -5.339 -7.525 1.00 0.00 H new ATOM 0 HB3 ARG A 84 1.055 -5.859 -9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -0.967 -7.473 -8.893 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -1.348 -6.588 -7.430 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -2.479 -5.124 -8.780 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.904 -4.524 -9.263 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.145 -6.630 -11.012 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -2.634 -3.600 -10.541 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -3.897 -3.847 -11.751 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.094 -7.210 -12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.155 -5.872 -12.720 1.00 0.00 H new ATOM 1254 N GLN A 85 3.378 -6.050 -7.603 1.00 0.00 N ATOM 1255 CA GLN A 85 4.838 -5.812 -7.781 1.00 0.00 C ATOM 1256 C GLN A 85 5.576 -6.191 -6.496 1.00 0.00 C ATOM 1257 O GLN A 85 5.614 -5.437 -5.544 1.00 0.00 O ATOM 1258 CB GLN A 85 5.079 -4.333 -8.093 1.00 0.00 C ATOM 1259 CG GLN A 85 6.572 -4.097 -8.335 1.00 0.00 C ATOM 1260 CD GLN A 85 6.867 -2.597 -8.288 1.00 0.00 C ATOM 1261 OE1 GLN A 85 6.975 -1.954 -9.314 1.00 0.00 O ATOM 1262 NE2 GLN A 85 7.000 -2.007 -7.131 1.00 0.00 N ATOM 0 H GLN A 85 2.847 -5.252 -7.254 1.00 0.00 H new ATOM 0 HA GLN A 85 5.209 -6.421 -8.605 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.506 -4.038 -8.972 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.732 -3.715 -7.265 1.00 0.00 H new ATOM 0 HG2 GLN A 85 7.160 -4.618 -7.579 1.00 0.00 H new ATOM 0 HG3 GLN A 85 6.863 -4.505 -9.303 1.00 0.00 H new ATOM 0 HE21 GLN A 85 6.909 -2.546 -6.270 1.00 0.00 H new ATOM 0 HE22 GLN A 85 7.194 -1.007 -7.088 1.00 0.00 H new ATOM 1271 N MET A 86 6.163 -7.356 -6.462 1.00 0.00 N ATOM 1272 CA MET A 86 6.899 -7.784 -5.239 1.00 0.00 C ATOM 1273 C MET A 86 8.357 -7.330 -5.336 1.00 0.00 C ATOM 1274 O MET A 86 8.894 -7.167 -6.414 1.00 0.00 O ATOM 1275 CB MET A 86 6.848 -9.309 -5.121 1.00 0.00 C ATOM 1276 CG MET A 86 5.470 -9.736 -4.615 1.00 0.00 C ATOM 1277 SD MET A 86 5.664 -10.953 -3.290 1.00 0.00 S ATOM 1278 CE MET A 86 3.921 -11.426 -3.160 1.00 0.00 C ATOM 0 H MET A 86 6.165 -8.030 -7.228 1.00 0.00 H new ATOM 0 HA MET A 86 6.436 -7.335 -4.361 1.00 0.00 H new ATOM 0 HB2 MET A 86 7.049 -9.766 -6.090 1.00 0.00 H new ATOM 0 HB3 MET A 86 7.622 -9.657 -4.437 1.00 0.00 H new ATOM 0 HG2 MET A 86 4.920 -8.869 -4.249 1.00 0.00 H new ATOM 0 HG3 MET A 86 4.887 -10.162 -5.432 1.00 0.00 H new ATOM 0 HE1 MET A 86 3.527 -11.101 -2.197 1.00 0.00 H new ATOM 0 HE2 MET A 86 3.355 -10.953 -3.963 1.00 0.00 H new ATOM 0 HE3 MET A 86 3.831 -12.509 -3.242 1.00 0.00 H new ATOM 1288 N LYS A 87 9.003 -7.126 -4.221 1.00 0.00 N ATOM 1289 CA LYS A 87 10.427 -6.686 -4.257 1.00 0.00 C ATOM 1290 C LYS A 87 11.323 -7.902 -4.494 1.00 0.00 C ATOM 1291 O LYS A 87 12.491 -7.772 -4.803 1.00 0.00 O ATOM 1292 CB LYS A 87 10.793 -6.027 -2.925 1.00 0.00 C ATOM 1293 CG LYS A 87 10.136 -4.648 -2.842 1.00 0.00 C ATOM 1294 CD LYS A 87 10.545 -3.962 -1.537 1.00 0.00 C ATOM 1295 CE LYS A 87 11.970 -3.422 -1.670 1.00 0.00 C ATOM 1296 NZ LYS A 87 12.609 -3.368 -0.325 1.00 0.00 N ATOM 0 H LYS A 87 8.608 -7.245 -3.288 1.00 0.00 H new ATOM 0 HA LYS A 87 10.569 -5.966 -5.063 1.00 0.00 H new ATOM 0 HB2 LYS A 87 10.461 -6.651 -2.095 1.00 0.00 H new ATOM 0 HB3 LYS A 87 11.875 -5.932 -2.839 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.437 -4.039 -3.694 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.052 -4.747 -2.888 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.856 -3.148 -1.310 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.488 -4.668 -0.709 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.551 -4.060 -2.335 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.953 -2.428 -2.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 13.578 -3.001 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 12.058 -2.742 0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 12.638 -4.324 0.084 1.00 0.00 H new ATOM 1310 N GLU A 88 10.785 -9.082 -4.358 1.00 0.00 N ATOM 1311 CA GLU A 88 11.607 -10.301 -4.584 1.00 0.00 C ATOM 1312 C GLU A 88 12.321 -10.179 -5.931 1.00 0.00 C ATOM 1313 O GLU A 88 13.345 -10.789 -6.161 1.00 0.00 O ATOM 1314 CB GLU A 88 10.701 -11.535 -4.594 1.00 0.00 C ATOM 1315 CG GLU A 88 9.696 -11.422 -5.741 1.00 0.00 C ATOM 1316 CD GLU A 88 10.302 -12.023 -7.011 1.00 0.00 C ATOM 1317 OE1 GLU A 88 11.264 -12.765 -6.892 1.00 0.00 O ATOM 1318 OE2 GLU A 88 9.794 -11.732 -8.081 1.00 0.00 O ATOM 0 H GLU A 88 9.813 -9.254 -4.101 1.00 0.00 H new ATOM 0 HA GLU A 88 12.342 -10.402 -3.786 1.00 0.00 H new ATOM 0 HB2 GLU A 88 11.300 -12.438 -4.709 1.00 0.00 H new ATOM 0 HB3 GLU A 88 10.175 -11.621 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.774 -11.943 -5.483 1.00 0.00 H new ATOM 0 HG3 GLU A 88 9.435 -10.377 -5.909 1.00 0.00 H new ATOM 1325 N ASP A 89 11.785 -9.389 -6.821 1.00 0.00 N ATOM 1326 CA ASP A 89 12.429 -9.220 -8.152 1.00 0.00 C ATOM 1327 C ASP A 89 11.649 -8.189 -8.968 1.00 0.00 C ATOM 1328 O ASP A 89 11.273 -8.432 -10.098 1.00 0.00 O ATOM 1329 CB ASP A 89 12.436 -10.558 -8.893 1.00 0.00 C ATOM 1330 CG ASP A 89 13.554 -10.561 -9.938 1.00 0.00 C ATOM 1331 OD1 ASP A 89 13.341 -10.011 -11.006 1.00 0.00 O ATOM 1332 OD2 ASP A 89 14.603 -11.112 -9.651 1.00 0.00 O ATOM 0 H ASP A 89 10.928 -8.853 -6.683 1.00 0.00 H new ATOM 0 HA ASP A 89 13.455 -8.877 -8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 89 12.582 -11.375 -8.187 1.00 0.00 H new ATOM 0 HB3 ASP A 89 11.473 -10.723 -9.376 1.00 0.00 H new ATOM 1337 N ALA A 90 11.402 -7.039 -8.405 1.00 0.00 N ATOM 1338 CA ALA A 90 10.646 -5.993 -9.149 1.00 0.00 C ATOM 1339 C ALA A 90 11.272 -4.623 -8.878 1.00 0.00 C ATOM 1340 O ALA A 90 11.118 -3.748 -9.714 1.00 0.00 O ATOM 1341 CB ALA A 90 9.188 -5.988 -8.682 1.00 0.00 C ATOM 1342 OXT ALA A 90 11.896 -4.473 -7.842 1.00 0.00 O ATOM 0 H ALA A 90 11.691 -6.778 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 90 10.685 -6.207 -10.217 1.00 0.00 H new ATOM 0 HB1 ALA A 90 8.634 -5.223 -9.226 1.00 0.00 H new ATOM 0 HB2 ALA A 90 8.741 -6.964 -8.873 1.00 0.00 H new ATOM 0 HB3 ALA A 90 9.149 -5.774 -7.614 1.00 0.00 H new TER 1348 ALA A 90