USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 THR OG1 : rot 180:sc= 0.0167 USER MOD Set 1.2: A 64 SER OG : rot -109:sc= -0.439 USER MOD Set 2.1: A 36 HIS : no HE2:sc= -2.48! C(o=-4.4!,f=-14!) USER MOD Set 2.2: A 60 TYR OH : rot 128:sc= -1.97! USER MOD Set 3.1: A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 65 MET CE :methyl 165:sc= -2.2 (180deg=-2.81) USER MOD Single : A 14 SER OG : rot 33:sc= 0.444 USER MOD Single : A 17 CYS SG : rot 180:sc= -0.469 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 MET CE :methyl 155:sc= -0.162 (180deg=-2) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.0304 X(o=-0.03,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.26) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= -0.0129 (180deg=-0.987) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 76 HIS : no HD1:sc= -0.2 X(o=-0.2,f=0) USER MOD ----------------------------------------------------------------- ATOM 23 N SER A 14 7.305 0.172 -6.635 1.00 0.00 N ATOM 24 CA SER A 14 6.067 -0.633 -6.427 1.00 0.00 C ATOM 25 C SER A 14 5.594 -0.474 -4.981 1.00 0.00 C ATOM 26 O SER A 14 6.330 -0.018 -4.129 1.00 0.00 O ATOM 27 CB SER A 14 6.359 -2.110 -6.701 1.00 0.00 C ATOM 28 OG SER A 14 7.178 -2.225 -7.854 1.00 0.00 O ATOM 0 HA SER A 14 5.292 -0.283 -7.109 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.858 -2.559 -5.842 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.426 -2.655 -6.849 1.00 0.00 H new ATOM 0 HG SER A 14 7.783 -1.456 -7.904 1.00 0.00 H new ATOM 34 N ILE A 15 4.370 -0.856 -4.698 1.00 0.00 N ATOM 35 CA ILE A 15 3.838 -0.739 -3.304 1.00 0.00 C ATOM 36 C ILE A 15 3.189 -2.059 -2.882 1.00 0.00 C ATOM 37 O ILE A 15 2.366 -2.618 -3.581 1.00 0.00 O ATOM 38 CB ILE A 15 2.797 0.383 -3.237 1.00 0.00 C ATOM 39 CG1 ILE A 15 2.348 0.567 -1.785 1.00 0.00 C ATOM 40 CG2 ILE A 15 1.589 0.027 -4.105 1.00 0.00 C ATOM 41 CD1 ILE A 15 1.517 1.847 -1.663 1.00 0.00 C ATOM 0 H ILE A 15 3.715 -1.245 -5.376 1.00 0.00 H new ATOM 0 HA ILE A 15 4.663 -0.509 -2.629 1.00 0.00 H new ATOM 0 HB ILE A 15 3.239 1.308 -3.606 1.00 0.00 H new ATOM 0 HG12 ILE A 15 1.760 -0.293 -1.464 1.00 0.00 H new ATOM 0 HG13 ILE A 15 3.217 0.622 -1.129 1.00 0.00 H new ATOM 0 HG21 ILE A 15 0.854 0.830 -4.052 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.910 -0.104 -5.139 1.00 0.00 H new ATOM 0 HG23 ILE A 15 1.142 -0.899 -3.744 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.198 1.977 -0.629 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.120 2.703 -1.967 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.640 1.774 -2.307 1.00 0.00 H new ATOM 53 N TRP A 16 3.549 -2.547 -1.729 1.00 0.00 N ATOM 54 CA TRP A 16 2.963 -3.817 -1.209 1.00 0.00 C ATOM 55 C TRP A 16 2.852 -3.660 0.311 1.00 0.00 C ATOM 56 O TRP A 16 3.796 -3.253 0.959 1.00 0.00 O ATOM 57 CB TRP A 16 3.884 -4.993 -1.553 1.00 0.00 C ATOM 58 CG TRP A 16 4.175 -4.998 -3.025 1.00 0.00 C ATOM 59 CD1 TRP A 16 5.021 -4.146 -3.653 1.00 0.00 C ATOM 60 CD2 TRP A 16 3.652 -5.887 -4.061 1.00 0.00 C ATOM 61 NE1 TRP A 16 5.045 -4.449 -5.001 1.00 0.00 N ATOM 62 CE2 TRP A 16 4.220 -5.514 -5.303 1.00 0.00 C ATOM 63 CE3 TRP A 16 2.748 -6.968 -4.049 1.00 0.00 C ATOM 64 CZ2 TRP A 16 3.907 -6.184 -6.486 1.00 0.00 C ATOM 65 CZ3 TRP A 16 2.432 -7.645 -5.237 1.00 0.00 C ATOM 66 CH2 TRP A 16 3.009 -7.255 -6.452 1.00 0.00 C ATOM 0 H TRP A 16 4.236 -2.113 -1.113 1.00 0.00 H new ATOM 0 HA TRP A 16 1.987 -4.014 -1.653 1.00 0.00 H new ATOM 0 HB2 TRP A 16 4.814 -4.915 -0.990 1.00 0.00 H new ATOM 0 HB3 TRP A 16 3.413 -5.932 -1.263 1.00 0.00 H new ATOM 0 HD1 TRP A 16 5.585 -3.358 -3.177 1.00 0.00 H new ATOM 0 HE1 TRP A 16 5.605 -3.946 -5.690 1.00 0.00 H new ATOM 0 HE3 TRP A 16 2.295 -7.278 -3.119 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 4.355 -5.878 -7.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 1.739 -8.473 -5.214 1.00 0.00 H new ATOM 0 HH2 TRP A 16 2.761 -7.781 -7.362 1.00 0.00 H new ATOM 77 N CYS A 17 1.703 -3.933 0.883 1.00 0.00 N ATOM 78 CA CYS A 17 1.535 -3.746 2.365 1.00 0.00 C ATOM 79 C CYS A 17 0.853 -4.962 3.005 1.00 0.00 C ATOM 80 O CYS A 17 -0.029 -5.572 2.434 1.00 0.00 O ATOM 81 CB CYS A 17 0.682 -2.498 2.590 1.00 0.00 C ATOM 82 SG CYS A 17 1.331 -1.141 1.583 1.00 0.00 S ATOM 0 H CYS A 17 0.877 -4.276 0.393 1.00 0.00 H new ATOM 0 HA CYS A 17 2.515 -3.635 2.829 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -0.356 -2.700 2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.693 -2.221 3.644 1.00 0.00 H new ATOM 0 HG CYS A 17 0.607 -0.077 1.770 1.00 0.00 H new ATOM 88 N SER A 18 1.267 -5.312 4.200 1.00 0.00 N ATOM 89 CA SER A 18 0.667 -6.483 4.912 1.00 0.00 C ATOM 90 C SER A 18 -0.699 -6.097 5.515 1.00 0.00 C ATOM 91 O SER A 18 -0.926 -4.946 5.838 1.00 0.00 O ATOM 92 CB SER A 18 1.612 -6.910 6.037 1.00 0.00 C ATOM 93 OG SER A 18 2.781 -7.489 5.475 1.00 0.00 O ATOM 0 H SER A 18 2.003 -4.830 4.717 1.00 0.00 H new ATOM 0 HA SER A 18 0.523 -7.301 4.206 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.878 -6.049 6.650 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.116 -7.627 6.691 1.00 0.00 H new ATOM 0 HG SER A 18 3.389 -7.762 6.194 1.00 0.00 H new ATOM 99 N PRO A 19 -1.603 -7.045 5.681 1.00 0.00 N ATOM 100 CA PRO A 19 -2.951 -6.775 6.270 1.00 0.00 C ATOM 101 C PRO A 19 -2.910 -5.828 7.479 1.00 0.00 C ATOM 102 O PRO A 19 -3.821 -5.057 7.698 1.00 0.00 O ATOM 103 CB PRO A 19 -3.436 -8.160 6.704 1.00 0.00 C ATOM 104 CG PRO A 19 -2.786 -9.116 5.756 1.00 0.00 C ATOM 105 CD PRO A 19 -1.456 -8.473 5.320 1.00 0.00 C ATOM 0 HA PRO A 19 -3.601 -6.276 5.551 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.151 -8.372 7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -4.522 -8.231 6.652 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -2.611 -10.079 6.237 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -3.427 -9.302 4.894 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.608 -8.927 5.832 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.286 -8.597 4.251 1.00 0.00 H new ATOM 113 N GLN A 20 -1.872 -5.878 8.269 1.00 0.00 N ATOM 114 CA GLN A 20 -1.814 -4.975 9.454 1.00 0.00 C ATOM 115 C GLN A 20 -1.873 -3.537 8.957 1.00 0.00 C ATOM 116 O GLN A 20 -2.609 -2.715 9.469 1.00 0.00 O ATOM 117 CB GLN A 20 -0.488 -5.183 10.200 1.00 0.00 C ATOM 118 CG GLN A 20 -0.476 -4.366 11.516 1.00 0.00 C ATOM 119 CD GLN A 20 0.950 -3.902 11.839 1.00 0.00 C ATOM 120 OE1 GLN A 20 1.186 -2.727 12.039 1.00 0.00 O ATOM 121 NE2 GLN A 20 1.917 -4.776 11.895 1.00 0.00 N ATOM 0 H GLN A 20 -1.070 -6.497 8.148 1.00 0.00 H new ATOM 0 HA GLN A 20 -2.645 -5.190 10.126 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -0.349 -6.241 10.420 1.00 0.00 H new ATOM 0 HB3 GLN A 20 0.345 -4.877 9.567 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -1.135 -3.503 11.422 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -0.862 -4.974 12.334 1.00 0.00 H new ATOM 0 HE21 GLN A 20 1.722 -5.763 11.728 1.00 0.00 H new ATOM 0 HE22 GLN A 20 2.868 -4.472 12.106 1.00 0.00 H new ATOM 130 N GLU A 21 -1.109 -3.233 7.952 1.00 0.00 N ATOM 131 CA GLU A 21 -1.122 -1.857 7.406 1.00 0.00 C ATOM 132 C GLU A 21 -2.505 -1.550 6.831 1.00 0.00 C ATOM 133 O GLU A 21 -3.039 -0.477 7.033 1.00 0.00 O ATOM 134 CB GLU A 21 -0.065 -1.759 6.312 1.00 0.00 C ATOM 135 CG GLU A 21 1.328 -1.772 6.949 1.00 0.00 C ATOM 136 CD GLU A 21 2.396 -1.779 5.854 1.00 0.00 C ATOM 137 OE1 GLU A 21 2.651 -2.840 5.310 1.00 0.00 O ATOM 138 OE2 GLU A 21 2.938 -0.721 5.576 1.00 0.00 O ATOM 0 H GLU A 21 -0.475 -3.881 7.485 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.902 -1.136 8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.167 -2.592 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.205 -0.844 5.736 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.454 -0.898 7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.439 -2.650 7.585 1.00 0.00 H new ATOM 145 N ILE A 22 -3.102 -2.479 6.124 1.00 0.00 N ATOM 146 CA ILE A 22 -4.456 -2.204 5.566 1.00 0.00 C ATOM 147 C ILE A 22 -5.459 -2.116 6.716 1.00 0.00 C ATOM 148 O ILE A 22 -6.244 -1.191 6.792 1.00 0.00 O ATOM 149 CB ILE A 22 -4.883 -3.310 4.592 1.00 0.00 C ATOM 150 CG1 ILE A 22 -3.950 -3.309 3.372 1.00 0.00 C ATOM 151 CG2 ILE A 22 -6.320 -3.040 4.137 1.00 0.00 C ATOM 152 CD1 ILE A 22 -4.238 -4.528 2.484 1.00 0.00 C ATOM 0 H ILE A 22 -2.716 -3.399 5.914 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.427 -1.262 5.019 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.826 -4.280 5.086 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.089 -2.392 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -2.911 -3.326 3.700 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.635 -3.820 3.444 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.981 -3.036 5.003 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.368 -2.071 3.639 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -3.570 -4.516 1.622 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -4.076 -5.441 3.056 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -5.272 -4.493 2.142 1.00 0.00 H new ATOM 164 N MET A 23 -5.449 -3.065 7.619 1.00 0.00 N ATOM 165 CA MET A 23 -6.409 -3.021 8.756 1.00 0.00 C ATOM 166 C MET A 23 -6.343 -1.651 9.432 1.00 0.00 C ATOM 167 O MET A 23 -7.257 -1.249 10.123 1.00 0.00 O ATOM 168 CB MET A 23 -6.041 -4.105 9.776 1.00 0.00 C ATOM 169 CG MET A 23 -6.417 -5.492 9.239 1.00 0.00 C ATOM 170 SD MET A 23 -5.733 -6.759 10.334 1.00 0.00 S ATOM 171 CE MET A 23 -6.647 -6.299 11.825 1.00 0.00 C ATOM 0 H MET A 23 -4.817 -3.866 7.615 1.00 0.00 H new ATOM 0 HA MET A 23 -7.418 -3.194 8.382 1.00 0.00 H new ATOM 0 HB2 MET A 23 -4.972 -4.067 9.987 1.00 0.00 H new ATOM 0 HB3 MET A 23 -6.559 -3.919 10.717 1.00 0.00 H new ATOM 0 HG2 MET A 23 -7.501 -5.591 9.181 1.00 0.00 H new ATOM 0 HG3 MET A 23 -6.031 -5.621 8.228 1.00 0.00 H new ATOM 0 HE1 MET A 23 -6.734 -7.166 12.480 1.00 0.00 H new ATOM 0 HE2 MET A 23 -6.116 -5.502 12.346 1.00 0.00 H new ATOM 0 HE3 MET A 23 -7.642 -5.951 11.549 1.00 0.00 H new ATOM 181 N ALA A 24 -5.273 -0.924 9.239 1.00 0.00 N ATOM 182 CA ALA A 24 -5.173 0.420 9.874 1.00 0.00 C ATOM 183 C ALA A 24 -5.965 1.431 9.043 1.00 0.00 C ATOM 184 O ALA A 24 -6.192 2.549 9.461 1.00 0.00 O ATOM 185 CB ALA A 24 -3.705 0.849 9.933 1.00 0.00 C ATOM 0 H ALA A 24 -4.471 -1.202 8.673 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.579 0.378 10.885 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.632 1.832 10.398 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.138 0.127 10.521 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.298 0.894 8.923 1.00 0.00 H new ATOM 191 N ALA A 25 -6.400 1.044 7.873 1.00 0.00 N ATOM 192 CA ALA A 25 -7.190 1.979 7.020 1.00 0.00 C ATOM 193 C ALA A 25 -8.662 1.905 7.431 1.00 0.00 C ATOM 194 O ALA A 25 -9.274 0.855 7.392 1.00 0.00 O ATOM 195 CB ALA A 25 -7.045 1.578 5.550 1.00 0.00 C ATOM 0 H ALA A 25 -6.242 0.120 7.471 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.823 2.997 7.150 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.622 2.262 4.928 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.995 1.625 5.262 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.414 0.562 5.412 1.00 0.00 H new ATOM 201 N ASP A 26 -9.235 3.008 7.827 1.00 0.00 N ATOM 202 CA ASP A 26 -10.665 2.997 8.247 1.00 0.00 C ATOM 203 C ASP A 26 -11.553 2.533 7.086 1.00 0.00 C ATOM 204 O ASP A 26 -12.500 1.796 7.277 1.00 0.00 O ATOM 205 CB ASP A 26 -11.078 4.406 8.683 1.00 0.00 C ATOM 206 CG ASP A 26 -10.392 4.751 10.007 1.00 0.00 C ATOM 207 OD1 ASP A 26 -9.982 3.831 10.698 1.00 0.00 O ATOM 208 OD2 ASP A 26 -10.288 5.929 10.309 1.00 0.00 O ATOM 0 H ASP A 26 -8.775 3.917 7.878 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.787 2.306 9.081 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.801 5.131 7.918 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -12.161 4.461 8.797 1.00 0.00 H new ATOM 213 N GLY A 27 -11.261 2.958 5.887 1.00 0.00 N ATOM 214 CA GLY A 27 -12.099 2.539 4.724 1.00 0.00 C ATOM 215 C GLY A 27 -12.118 1.011 4.622 1.00 0.00 C ATOM 216 O GLY A 27 -12.960 0.439 3.957 1.00 0.00 O ATOM 0 H GLY A 27 -10.481 3.575 5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -13.115 2.917 4.841 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -11.702 2.969 3.804 1.00 0.00 H new ATOM 220 N MET A 28 -11.200 0.347 5.283 1.00 0.00 N ATOM 221 CA MET A 28 -11.152 -1.151 5.241 1.00 0.00 C ATOM 222 C MET A 28 -11.170 -1.677 6.683 1.00 0.00 C ATOM 223 O MET A 28 -10.150 -2.061 7.225 1.00 0.00 O ATOM 224 CB MET A 28 -9.856 -1.600 4.556 1.00 0.00 C ATOM 225 CG MET A 28 -9.669 -0.827 3.246 1.00 0.00 C ATOM 226 SD MET A 28 -8.501 -1.714 2.186 1.00 0.00 S ATOM 227 CE MET A 28 -8.979 -0.947 0.618 1.00 0.00 C ATOM 0 H MET A 28 -10.476 0.782 5.855 1.00 0.00 H new ATOM 0 HA MET A 28 -12.006 -1.539 4.686 1.00 0.00 H new ATOM 0 HB2 MET A 28 -9.006 -1.427 5.216 1.00 0.00 H new ATOM 0 HB3 MET A 28 -9.891 -2.671 4.356 1.00 0.00 H new ATOM 0 HG2 MET A 28 -10.626 -0.715 2.737 1.00 0.00 H new ATOM 0 HG3 MET A 28 -9.299 0.177 3.453 1.00 0.00 H new ATOM 0 HE1 MET A 28 -8.371 -1.357 -0.188 1.00 0.00 H new ATOM 0 HE2 MET A 28 -10.031 -1.151 0.419 1.00 0.00 H new ATOM 0 HE3 MET A 28 -8.823 0.130 0.677 1.00 0.00 H new ATOM 237 N PRO A 29 -12.322 -1.667 7.307 1.00 0.00 N ATOM 238 CA PRO A 29 -12.492 -2.118 8.723 1.00 0.00 C ATOM 239 C PRO A 29 -12.676 -3.632 8.862 1.00 0.00 C ATOM 240 O PRO A 29 -12.755 -4.356 7.889 1.00 0.00 O ATOM 241 CB PRO A 29 -13.774 -1.406 9.137 1.00 0.00 C ATOM 242 CG PRO A 29 -14.599 -1.419 7.893 1.00 0.00 C ATOM 243 CD PRO A 29 -13.611 -1.220 6.736 1.00 0.00 C ATOM 0 HA PRO A 29 -11.614 -1.890 9.328 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -14.274 -1.924 9.955 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -13.576 -0.389 9.477 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.137 -2.361 7.790 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.346 -0.625 7.911 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.890 -1.810 5.863 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -13.570 -0.179 6.417 1.00 0.00 H new ATOM 251 N GLY A 30 -12.743 -4.109 10.078 1.00 0.00 N ATOM 252 CA GLY A 30 -12.919 -5.569 10.312 1.00 0.00 C ATOM 253 C GLY A 30 -11.545 -6.207 10.471 1.00 0.00 C ATOM 254 O GLY A 30 -10.537 -5.607 10.153 1.00 0.00 O ATOM 0 H GLY A 30 -12.683 -3.543 10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -13.520 -5.739 11.205 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -13.453 -6.024 9.477 1.00 0.00 H new ATOM 258 N SER A 31 -11.484 -7.410 10.960 1.00 0.00 N ATOM 259 CA SER A 31 -10.162 -8.061 11.135 1.00 0.00 C ATOM 260 C SER A 31 -9.615 -8.418 9.756 1.00 0.00 C ATOM 261 O SER A 31 -10.141 -7.994 8.746 1.00 0.00 O ATOM 262 CB SER A 31 -10.320 -9.329 11.973 1.00 0.00 C ATOM 263 OG SER A 31 -11.150 -10.252 11.281 1.00 0.00 O ATOM 0 H SER A 31 -12.289 -7.968 11.245 1.00 0.00 H new ATOM 0 HA SER A 31 -9.475 -7.386 11.646 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.344 -9.774 12.166 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.757 -9.086 12.942 1.00 0.00 H new ATOM 0 HG SER A 31 -11.251 -11.067 11.817 1.00 0.00 H new ATOM 269 N VAL A 32 -8.550 -9.160 9.693 1.00 0.00 N ATOM 270 CA VAL A 32 -7.975 -9.489 8.364 1.00 0.00 C ATOM 271 C VAL A 32 -9.050 -10.139 7.488 1.00 0.00 C ATOM 272 O VAL A 32 -9.154 -9.850 6.313 1.00 0.00 O ATOM 273 CB VAL A 32 -6.796 -10.446 8.530 1.00 0.00 C ATOM 274 CG1 VAL A 32 -6.219 -10.775 7.153 1.00 0.00 C ATOM 275 CG2 VAL A 32 -5.719 -9.778 9.388 1.00 0.00 C ATOM 0 H VAL A 32 -8.056 -9.550 10.496 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.625 -8.573 7.887 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.131 -11.363 9.015 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.377 -11.458 7.265 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.988 -11.244 6.539 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -5.880 -9.857 6.672 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.876 -10.458 9.509 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -5.381 -8.864 8.900 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -6.132 -9.535 10.367 1.00 0.00 H new ATOM 285 N ALA A 33 -9.854 -11.010 8.035 1.00 0.00 N ATOM 286 CA ALA A 33 -10.910 -11.654 7.205 1.00 0.00 C ATOM 287 C ALA A 33 -11.842 -10.574 6.645 1.00 0.00 C ATOM 288 O ALA A 33 -12.266 -10.637 5.508 1.00 0.00 O ATOM 289 CB ALA A 33 -11.716 -12.628 8.068 1.00 0.00 C ATOM 0 H ALA A 33 -9.826 -11.301 9.012 1.00 0.00 H new ATOM 0 HA ALA A 33 -10.447 -12.199 6.383 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -12.489 -13.099 7.460 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -11.052 -13.394 8.469 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -12.182 -12.085 8.891 1.00 0.00 H new ATOM 295 N GLY A 34 -12.166 -9.580 7.430 1.00 0.00 N ATOM 296 CA GLY A 34 -13.068 -8.503 6.926 1.00 0.00 C ATOM 297 C GLY A 34 -12.417 -7.836 5.713 1.00 0.00 C ATOM 298 O GLY A 34 -13.064 -7.555 4.721 1.00 0.00 O ATOM 0 H GLY A 34 -11.847 -9.468 8.392 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -14.037 -8.921 6.651 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -13.249 -7.766 7.709 1.00 0.00 H new ATOM 302 N VAL A 35 -11.134 -7.607 5.771 1.00 0.00 N ATOM 303 CA VAL A 35 -10.443 -6.988 4.607 1.00 0.00 C ATOM 304 C VAL A 35 -10.584 -7.947 3.421 1.00 0.00 C ATOM 305 O VAL A 35 -10.865 -7.551 2.308 1.00 0.00 O ATOM 306 CB VAL A 35 -8.956 -6.792 4.954 1.00 0.00 C ATOM 307 CG1 VAL A 35 -8.119 -6.621 3.676 1.00 0.00 C ATOM 308 CG2 VAL A 35 -8.800 -5.545 5.829 1.00 0.00 C ATOM 0 H VAL A 35 -10.537 -7.821 6.570 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.877 -6.019 4.360 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.603 -7.673 5.490 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.071 -6.484 3.943 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -8.221 -7.509 3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -8.470 -5.749 3.125 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.748 -5.403 6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.166 -4.673 5.288 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.375 -5.670 6.747 1.00 0.00 H new ATOM 318 N HIS A 36 -10.394 -9.211 3.673 1.00 0.00 N ATOM 319 CA HIS A 36 -10.515 -10.228 2.594 1.00 0.00 C ATOM 320 C HIS A 36 -11.936 -10.207 2.017 1.00 0.00 C ATOM 321 O HIS A 36 -12.140 -10.468 0.849 1.00 0.00 O ATOM 322 CB HIS A 36 -10.222 -11.618 3.173 1.00 0.00 C ATOM 323 CG HIS A 36 -8.735 -11.824 3.304 1.00 0.00 C ATOM 324 ND1 HIS A 36 -7.941 -11.055 4.143 1.00 0.00 N ATOM 325 CD2 HIS A 36 -7.890 -12.725 2.713 1.00 0.00 C ATOM 326 CE1 HIS A 36 -6.676 -11.510 4.029 1.00 0.00 C ATOM 327 NE2 HIS A 36 -6.594 -12.529 3.170 1.00 0.00 N ATOM 0 H HIS A 36 -10.157 -9.587 4.591 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.802 -10.000 1.802 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -10.698 -11.722 4.148 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -10.647 -12.386 2.527 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -8.256 -10.287 4.736 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.188 -13.477 1.997 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.833 -11.100 4.566 1.00 0.00 H new ATOM 335 N TYR A 37 -12.921 -9.922 2.828 1.00 0.00 N ATOM 336 CA TYR A 37 -14.321 -9.916 2.313 1.00 0.00 C ATOM 337 C TYR A 37 -14.436 -8.919 1.162 1.00 0.00 C ATOM 338 O TYR A 37 -14.929 -9.249 0.101 1.00 0.00 O ATOM 339 CB TYR A 37 -15.276 -9.504 3.432 1.00 0.00 C ATOM 340 CG TYR A 37 -16.688 -9.459 2.898 1.00 0.00 C ATOM 341 CD1 TYR A 37 -17.187 -8.270 2.349 1.00 0.00 C ATOM 342 CD2 TYR A 37 -17.498 -10.599 2.948 1.00 0.00 C ATOM 343 CE1 TYR A 37 -18.493 -8.223 1.851 1.00 0.00 C ATOM 344 CE2 TYR A 37 -18.804 -10.553 2.449 1.00 0.00 C ATOM 345 CZ TYR A 37 -19.304 -9.364 1.902 1.00 0.00 C ATOM 346 OH TYR A 37 -20.592 -9.317 1.410 1.00 0.00 O ATOM 0 H TYR A 37 -12.818 -9.695 3.817 1.00 0.00 H new ATOM 0 HA TYR A 37 -14.580 -10.915 1.961 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -15.211 -10.211 4.259 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -14.993 -8.527 3.825 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -16.563 -7.390 2.310 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -17.114 -11.515 3.372 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -18.876 -7.307 1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -19.427 -11.434 2.485 1.00 0.00 H new ATOM 0 HH TYR A 37 -21.017 -10.193 1.521 1.00 0.00 H new ATOM 356 N ARG A 38 -13.975 -7.711 1.337 1.00 0.00 N ATOM 357 CA ARG A 38 -14.060 -6.744 0.209 1.00 0.00 C ATOM 358 C ARG A 38 -13.161 -7.251 -0.916 1.00 0.00 C ATOM 359 O ARG A 38 -13.501 -7.190 -2.081 1.00 0.00 O ATOM 360 CB ARG A 38 -13.585 -5.359 0.657 1.00 0.00 C ATOM 361 CG ARG A 38 -14.601 -4.753 1.626 1.00 0.00 C ATOM 362 CD ARG A 38 -14.208 -3.305 1.923 1.00 0.00 C ATOM 363 NE ARG A 38 -14.304 -2.505 0.668 1.00 0.00 N ATOM 364 CZ ARG A 38 -14.298 -1.201 0.720 1.00 0.00 C ATOM 365 NH1 ARG A 38 -14.202 -0.594 1.871 1.00 0.00 N ATOM 366 NH2 ARG A 38 -14.387 -0.505 -0.381 1.00 0.00 N ATOM 0 H ARG A 38 -13.551 -7.357 2.195 1.00 0.00 H new ATOM 0 HA ARG A 38 -15.093 -6.660 -0.130 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -12.610 -5.437 1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -13.462 -4.709 -0.209 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -15.601 -4.790 1.194 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -14.631 -5.331 2.549 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -14.864 -2.887 2.686 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -13.193 -3.265 2.318 1.00 0.00 H new ATOM 0 HE ARG A 38 -14.374 -2.978 -0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -14.132 -1.139 2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -14.197 0.425 1.911 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.461 -0.980 -1.280 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.382 0.514 -0.342 1.00 0.00 H new ATOM 380 N ALA A 39 -12.011 -7.754 -0.564 1.00 0.00 N ATOM 381 CA ALA A 39 -11.067 -8.276 -1.589 1.00 0.00 C ATOM 382 C ALA A 39 -11.575 -9.621 -2.113 1.00 0.00 C ATOM 383 O ALA A 39 -10.984 -10.220 -2.989 1.00 0.00 O ATOM 384 CB ALA A 39 -9.681 -8.451 -0.961 1.00 0.00 C ATOM 0 H ALA A 39 -11.683 -7.826 0.399 1.00 0.00 H new ATOM 0 HA ALA A 39 -11.000 -7.572 -2.418 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -8.988 -8.833 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -9.324 -7.489 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -9.744 -9.155 -0.132 1.00 0.00 H new ATOM 390 N ASN A 40 -12.681 -10.092 -1.602 1.00 0.00 N ATOM 391 CA ASN A 40 -13.229 -11.383 -2.097 1.00 0.00 C ATOM 392 C ASN A 40 -13.866 -11.145 -3.465 1.00 0.00 C ATOM 393 O ASN A 40 -13.564 -11.815 -4.432 1.00 0.00 O ATOM 394 CB ASN A 40 -14.285 -11.906 -1.120 1.00 0.00 C ATOM 395 CG ASN A 40 -14.705 -13.319 -1.531 1.00 0.00 C ATOM 396 OD1 ASN A 40 -15.854 -13.555 -1.851 1.00 0.00 O ATOM 397 ND2 ASN A 40 -13.815 -14.274 -1.540 1.00 0.00 N ATOM 0 H ASN A 40 -13.225 -9.640 -0.867 1.00 0.00 H new ATOM 0 HA ASN A 40 -12.431 -12.121 -2.179 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -13.885 -11.914 -0.106 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -15.151 -11.244 -1.116 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -14.083 -15.219 -1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -12.851 -14.075 -1.271 1.00 0.00 H new ATOM 404 N VAL A 41 -14.739 -10.179 -3.546 1.00 0.00 N ATOM 405 CA VAL A 41 -15.398 -9.868 -4.844 1.00 0.00 C ATOM 406 C VAL A 41 -14.370 -9.250 -5.797 1.00 0.00 C ATOM 407 O VAL A 41 -14.336 -9.556 -6.973 1.00 0.00 O ATOM 408 CB VAL A 41 -16.546 -8.881 -4.604 1.00 0.00 C ATOM 409 CG1 VAL A 41 -17.076 -8.360 -5.944 1.00 0.00 C ATOM 410 CG2 VAL A 41 -17.676 -9.594 -3.854 1.00 0.00 C ATOM 0 H VAL A 41 -15.025 -9.589 -2.764 1.00 0.00 H new ATOM 0 HA VAL A 41 -15.795 -10.781 -5.287 1.00 0.00 H new ATOM 0 HB VAL A 41 -16.181 -8.041 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -17.892 -7.659 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -16.274 -7.854 -6.481 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -17.440 -9.196 -6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -18.495 -8.896 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -18.035 -10.434 -4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -17.303 -9.960 -2.897 1.00 0.00 H new ATOM 420 N GLN A 42 -13.531 -8.381 -5.296 1.00 0.00 N ATOM 421 CA GLN A 42 -12.501 -7.739 -6.167 1.00 0.00 C ATOM 422 C GLN A 42 -11.278 -8.651 -6.261 1.00 0.00 C ATOM 423 O GLN A 42 -11.007 -9.433 -5.370 1.00 0.00 O ATOM 424 CB GLN A 42 -12.092 -6.389 -5.571 1.00 0.00 C ATOM 425 CG GLN A 42 -13.256 -5.398 -5.680 1.00 0.00 C ATOM 426 CD GLN A 42 -13.540 -5.092 -7.153 1.00 0.00 C ATOM 427 OE1 GLN A 42 -12.666 -4.655 -7.875 1.00 0.00 O ATOM 428 NE2 GLN A 42 -14.733 -5.316 -7.634 1.00 0.00 N ATOM 0 H GLN A 42 -13.514 -8.087 -4.319 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.914 -7.581 -7.163 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.806 -6.514 -4.527 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.220 -5.999 -6.096 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.146 -5.814 -5.207 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.013 -4.478 -5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -15.467 -5.683 -7.028 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -14.931 -5.124 -8.616 1.00 0.00 H new ATOM 437 N GLY A 43 -10.540 -8.559 -7.343 1.00 0.00 N ATOM 438 CA GLY A 43 -9.330 -9.421 -7.524 1.00 0.00 C ATOM 439 C GLY A 43 -8.073 -8.552 -7.605 1.00 0.00 C ATOM 440 O GLY A 43 -7.458 -8.437 -8.647 1.00 0.00 O ATOM 0 H GLY A 43 -10.727 -7.918 -8.114 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.245 -10.121 -6.693 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.430 -10.015 -8.432 1.00 0.00 H new ATOM 444 N TRP A 44 -7.669 -7.952 -6.516 1.00 0.00 N ATOM 445 CA TRP A 44 -6.435 -7.117 -6.557 1.00 0.00 C ATOM 446 C TRP A 44 -5.240 -8.046 -6.792 1.00 0.00 C ATOM 447 O TRP A 44 -5.361 -9.251 -6.711 1.00 0.00 O ATOM 448 CB TRP A 44 -6.212 -6.392 -5.214 1.00 0.00 C ATOM 449 CG TRP A 44 -7.493 -5.880 -4.640 1.00 0.00 C ATOM 450 CD1 TRP A 44 -8.643 -5.663 -5.318 1.00 0.00 C ATOM 451 CD2 TRP A 44 -7.755 -5.508 -3.257 1.00 0.00 C ATOM 452 NE1 TRP A 44 -9.597 -5.183 -4.433 1.00 0.00 N ATOM 453 CE2 TRP A 44 -9.094 -5.072 -3.149 1.00 0.00 C ATOM 454 CE3 TRP A 44 -6.960 -5.512 -2.092 1.00 0.00 C ATOM 455 CZ2 TRP A 44 -9.629 -4.652 -1.928 1.00 0.00 C ATOM 456 CZ3 TRP A 44 -7.491 -5.091 -0.866 1.00 0.00 C ATOM 457 CH2 TRP A 44 -8.824 -4.662 -0.782 1.00 0.00 C ATOM 0 H TRP A 44 -8.135 -8.003 -5.610 1.00 0.00 H new ATOM 0 HA TRP A 44 -6.538 -6.376 -7.349 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.744 -7.075 -4.506 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.521 -5.561 -5.360 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -8.794 -5.835 -6.374 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -10.552 -4.941 -4.697 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -5.933 -5.842 -2.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -10.656 -4.322 -1.869 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -6.871 -5.097 0.019 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -9.229 -4.340 0.166 1.00 0.00 H new ATOM 468 N THR A 45 -4.082 -7.504 -7.044 1.00 0.00 N ATOM 469 CA THR A 45 -2.892 -8.376 -7.230 1.00 0.00 C ATOM 470 C THR A 45 -2.504 -8.901 -5.843 1.00 0.00 C ATOM 471 O THR A 45 -2.444 -8.151 -4.890 1.00 0.00 O ATOM 472 CB THR A 45 -1.744 -7.558 -7.848 1.00 0.00 C ATOM 473 OG1 THR A 45 -1.891 -7.542 -9.261 1.00 0.00 O ATOM 474 CG2 THR A 45 -0.382 -8.166 -7.485 1.00 0.00 C ATOM 0 H THR A 45 -3.909 -6.502 -7.129 1.00 0.00 H new ATOM 0 HA THR A 45 -3.105 -9.207 -7.903 1.00 0.00 H new ATOM 0 HB THR A 45 -1.786 -6.543 -7.453 1.00 0.00 H new ATOM 0 HG1 THR A 45 -1.163 -7.021 -9.660 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.413 -7.570 -7.933 1.00 0.00 H new ATOM 0 HG22 THR A 45 -0.264 -8.173 -6.401 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.327 -9.187 -7.862 1.00 0.00 H new ATOM 482 N LYS A 46 -2.281 -10.185 -5.710 1.00 0.00 N ATOM 483 CA LYS A 46 -1.942 -10.751 -4.365 1.00 0.00 C ATOM 484 C LYS A 46 -0.784 -11.742 -4.480 1.00 0.00 C ATOM 485 O LYS A 46 -0.515 -12.289 -5.531 1.00 0.00 O ATOM 486 CB LYS A 46 -3.160 -11.509 -3.834 1.00 0.00 C ATOM 487 CG LYS A 46 -4.359 -10.569 -3.731 1.00 0.00 C ATOM 488 CD LYS A 46 -5.561 -11.349 -3.199 1.00 0.00 C ATOM 489 CE LYS A 46 -6.785 -10.436 -3.128 1.00 0.00 C ATOM 490 NZ LYS A 46 -7.872 -11.127 -2.380 1.00 0.00 N ATOM 0 H LYS A 46 -2.318 -10.864 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 46 -1.660 -9.936 -3.699 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -3.397 -12.342 -4.496 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.936 -11.934 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.128 -9.736 -3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.589 -10.144 -4.708 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.769 -12.200 -3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.337 -11.749 -2.210 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.526 -9.500 -2.634 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.123 -10.183 -4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.793 -10.743 -2.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.841 -12.146 -2.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.742 -10.975 -1.359 1.00 0.00 H new ATOM 504 N ARG A 47 -0.125 -12.003 -3.383 1.00 0.00 N ATOM 505 CA ARG A 47 0.996 -12.987 -3.379 1.00 0.00 C ATOM 506 C ARG A 47 0.958 -13.725 -2.041 1.00 0.00 C ATOM 507 O ARG A 47 1.370 -13.212 -1.017 1.00 0.00 O ATOM 508 CB ARG A 47 2.339 -12.268 -3.554 1.00 0.00 C ATOM 509 CG ARG A 47 2.327 -10.939 -2.800 1.00 0.00 C ATOM 510 CD ARG A 47 3.744 -10.361 -2.777 1.00 0.00 C ATOM 511 NE ARG A 47 4.240 -10.206 -4.172 1.00 0.00 N ATOM 512 CZ ARG A 47 5.274 -9.449 -4.415 1.00 0.00 C ATOM 513 NH1 ARG A 47 5.864 -8.819 -3.437 1.00 0.00 N ATOM 514 NH2 ARG A 47 5.717 -9.319 -5.636 1.00 0.00 N ATOM 0 H ARG A 47 -0.318 -11.571 -2.479 1.00 0.00 H new ATOM 0 HA ARG A 47 0.888 -13.690 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.148 -12.898 -3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 47 2.531 -12.092 -4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.644 -10.240 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.965 -11.088 -1.783 1.00 0.00 H new ATOM 0 HD2 ARG A 47 3.746 -9.396 -2.270 1.00 0.00 H new ATOM 0 HD3 ARG A 47 4.407 -11.018 -2.215 1.00 0.00 H new ATOM 0 HE ARG A 47 3.772 -10.691 -4.937 1.00 0.00 H new ATOM 0 HH11 ARG A 47 5.517 -8.919 -2.483 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.673 -8.227 -3.626 1.00 0.00 H new ATOM 0 HH21 ARG A 47 5.254 -9.810 -6.401 1.00 0.00 H new ATOM 0 HH22 ARG A 47 6.526 -8.727 -5.825 1.00 0.00 H new ATOM 678 N VAL A 58 2.492 -12.596 3.610 1.00 0.00 N ATOM 679 CA VAL A 58 1.239 -12.418 2.808 1.00 0.00 C ATOM 680 C VAL A 58 1.087 -10.915 2.523 1.00 0.00 C ATOM 681 O VAL A 58 1.082 -10.116 3.438 1.00 0.00 O ATOM 682 CB VAL A 58 0.038 -12.926 3.613 1.00 0.00 C ATOM 683 CG1 VAL A 58 -1.257 -12.677 2.833 1.00 0.00 C ATOM 684 CG2 VAL A 58 0.194 -14.429 3.860 1.00 0.00 C ATOM 0 HA VAL A 58 1.288 -12.980 1.875 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.006 -12.395 4.564 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.106 -13.041 3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.373 -11.608 2.652 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.215 -13.204 1.880 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.659 -14.794 4.433 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.240 -14.952 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.112 -14.613 4.419 1.00 0.00 H new ATOM 694 N GLU A 59 1.008 -10.510 1.272 1.00 0.00 N ATOM 695 CA GLU A 59 0.909 -9.033 0.974 1.00 0.00 C ATOM 696 C GLU A 59 -0.089 -8.726 -0.153 1.00 0.00 C ATOM 697 O GLU A 59 -0.445 -9.577 -0.947 1.00 0.00 O ATOM 698 CB GLU A 59 2.290 -8.518 0.568 1.00 0.00 C ATOM 699 CG GLU A 59 3.227 -8.565 1.777 1.00 0.00 C ATOM 700 CD GLU A 59 4.609 -8.051 1.370 1.00 0.00 C ATOM 701 OE1 GLU A 59 4.736 -7.571 0.256 1.00 0.00 O ATOM 702 OE2 GLU A 59 5.517 -8.145 2.180 1.00 0.00 O ATOM 0 H GLU A 59 1.007 -11.123 0.457 1.00 0.00 H new ATOM 0 HA GLU A 59 0.550 -8.537 1.876 1.00 0.00 H new ATOM 0 HB2 GLU A 59 2.693 -9.126 -0.242 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.214 -7.497 0.193 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.825 -7.956 2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 59 3.303 -9.585 2.153 1.00 0.00 H new ATOM 709 N TYR A 60 -0.529 -7.486 -0.212 1.00 0.00 N ATOM 710 CA TYR A 60 -1.499 -7.034 -1.263 1.00 0.00 C ATOM 711 C TYR A 60 -0.931 -5.775 -1.941 1.00 0.00 C ATOM 712 O TYR A 60 -0.320 -4.946 -1.297 1.00 0.00 O ATOM 713 CB TYR A 60 -2.827 -6.683 -0.587 1.00 0.00 C ATOM 714 CG TYR A 60 -3.422 -7.928 0.025 1.00 0.00 C ATOM 715 CD1 TYR A 60 -2.903 -8.436 1.221 1.00 0.00 C ATOM 716 CD2 TYR A 60 -4.495 -8.575 -0.601 1.00 0.00 C ATOM 717 CE1 TYR A 60 -3.451 -9.592 1.788 1.00 0.00 C ATOM 718 CE2 TYR A 60 -5.044 -9.730 -0.032 1.00 0.00 C ATOM 719 CZ TYR A 60 -4.521 -10.237 1.161 1.00 0.00 C ATOM 720 OH TYR A 60 -5.059 -11.377 1.718 1.00 0.00 O ATOM 0 H TYR A 60 -0.248 -6.754 0.440 1.00 0.00 H new ATOM 0 HA TYR A 60 -1.655 -7.820 -2.002 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -2.668 -5.927 0.182 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -3.517 -6.257 -1.315 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -2.079 -7.935 1.707 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -4.899 -8.183 -1.523 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -3.048 -9.986 2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -5.871 -10.229 -0.514 1.00 0.00 H new ATOM 0 HH TYR A 60 -6.029 -11.271 1.806 1.00 0.00 H new ATOM 730 N ASP A 61 -1.122 -5.619 -3.232 1.00 0.00 N ATOM 731 CA ASP A 61 -0.581 -4.405 -3.940 1.00 0.00 C ATOM 732 C ASP A 61 -1.696 -3.370 -4.135 1.00 0.00 C ATOM 733 O ASP A 61 -2.736 -3.659 -4.694 1.00 0.00 O ATOM 734 CB ASP A 61 -0.030 -4.812 -5.307 1.00 0.00 C ATOM 735 CG ASP A 61 0.702 -3.624 -5.934 1.00 0.00 C ATOM 736 OD1 ASP A 61 0.489 -2.512 -5.477 1.00 0.00 O ATOM 737 OD2 ASP A 61 1.465 -3.846 -6.860 1.00 0.00 O ATOM 0 H ASP A 61 -1.627 -6.276 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 61 0.215 -3.969 -3.336 1.00 0.00 H new ATOM 0 HB2 ASP A 61 0.650 -5.657 -5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -0.843 -5.137 -5.957 1.00 0.00 H new ATOM 742 N VAL A 62 -1.489 -2.171 -3.660 1.00 0.00 N ATOM 743 CA VAL A 62 -2.529 -1.105 -3.791 1.00 0.00 C ATOM 744 C VAL A 62 -2.719 -0.668 -5.254 1.00 0.00 C ATOM 745 O VAL A 62 -3.783 -0.226 -5.640 1.00 0.00 O ATOM 746 CB VAL A 62 -2.103 0.107 -2.964 1.00 0.00 C ATOM 747 CG1 VAL A 62 -3.148 1.217 -3.105 1.00 0.00 C ATOM 748 CG2 VAL A 62 -1.983 -0.301 -1.494 1.00 0.00 C ATOM 0 H VAL A 62 -0.636 -1.880 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.475 -1.510 -3.433 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.140 0.472 -3.321 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.843 2.081 -2.515 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.233 1.505 -4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -4.113 0.856 -2.748 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -1.679 0.561 -0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -2.947 -0.665 -1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.238 -1.090 -1.395 1.00 0.00 H new ATOM 758 N MET A 63 -1.692 -0.742 -6.058 1.00 0.00 N ATOM 759 CA MET A 63 -1.815 -0.279 -7.474 1.00 0.00 C ATOM 760 C MET A 63 -2.695 -1.225 -8.303 1.00 0.00 C ATOM 761 O MET A 63 -2.704 -1.151 -9.515 1.00 0.00 O ATOM 762 CB MET A 63 -0.422 -0.208 -8.108 1.00 0.00 C ATOM 763 CG MET A 63 0.342 0.989 -7.538 1.00 0.00 C ATOM 764 SD MET A 63 -0.297 2.512 -8.285 1.00 0.00 S ATOM 765 CE MET A 63 0.631 3.685 -7.266 1.00 0.00 C ATOM 0 H MET A 63 -0.774 -1.102 -5.797 1.00 0.00 H new ATOM 0 HA MET A 63 -2.283 0.705 -7.467 1.00 0.00 H new ATOM 0 HB2 MET A 63 0.126 -1.129 -7.910 1.00 0.00 H new ATOM 0 HB3 MET A 63 -0.509 -0.115 -9.191 1.00 0.00 H new ATOM 0 HG2 MET A 63 0.229 1.026 -6.454 1.00 0.00 H new ATOM 0 HG3 MET A 63 1.408 0.888 -7.744 1.00 0.00 H new ATOM 0 HE1 MET A 63 0.382 4.703 -7.565 1.00 0.00 H new ATOM 0 HE2 MET A 63 0.371 3.541 -6.217 1.00 0.00 H new ATOM 0 HE3 MET A 63 1.700 3.518 -7.401 1.00 0.00 H new ATOM 775 N SER A 64 -3.436 -2.101 -7.670 1.00 0.00 N ATOM 776 CA SER A 64 -4.321 -3.044 -8.436 1.00 0.00 C ATOM 777 C SER A 64 -5.790 -2.792 -8.079 1.00 0.00 C ATOM 778 O SER A 64 -6.683 -3.084 -8.852 1.00 0.00 O ATOM 779 CB SER A 64 -3.948 -4.483 -8.079 1.00 0.00 C ATOM 780 OG SER A 64 -2.742 -4.828 -8.744 1.00 0.00 O ATOM 0 H SER A 64 -3.469 -2.207 -6.656 1.00 0.00 H new ATOM 0 HA SER A 64 -4.183 -2.880 -9.505 1.00 0.00 H new ATOM 0 HB2 SER A 64 -3.825 -4.583 -7.001 1.00 0.00 H new ATOM 0 HB3 SER A 64 -4.748 -5.163 -8.373 1.00 0.00 H new ATOM 0 HG SER A 64 -2.934 -5.472 -9.457 1.00 0.00 H new ATOM 786 N MET A 65 -6.051 -2.251 -6.920 1.00 0.00 N ATOM 787 CA MET A 65 -7.465 -1.975 -6.521 1.00 0.00 C ATOM 788 C MET A 65 -7.942 -0.669 -7.177 1.00 0.00 C ATOM 789 O MET A 65 -7.148 0.209 -7.446 1.00 0.00 O ATOM 790 CB MET A 65 -7.547 -1.850 -4.995 1.00 0.00 C ATOM 791 CG MET A 65 -6.358 -1.040 -4.479 1.00 0.00 C ATOM 792 SD MET A 65 -6.611 -0.635 -2.732 1.00 0.00 S ATOM 793 CE MET A 65 -6.367 -2.300 -2.065 1.00 0.00 C ATOM 0 H MET A 65 -5.347 -1.987 -6.230 1.00 0.00 H new ATOM 0 HA MET A 65 -8.104 -2.794 -6.852 1.00 0.00 H new ATOM 0 HB2 MET A 65 -8.481 -1.365 -4.710 1.00 0.00 H new ATOM 0 HB3 MET A 65 -7.550 -2.840 -4.539 1.00 0.00 H new ATOM 0 HG2 MET A 65 -5.437 -1.610 -4.601 1.00 0.00 H new ATOM 0 HG3 MET A 65 -6.247 -0.126 -5.062 1.00 0.00 H new ATOM 0 HE1 MET A 65 -6.215 -2.242 -0.987 1.00 0.00 H new ATOM 0 HE2 MET A 65 -7.246 -2.909 -2.275 1.00 0.00 H new ATOM 0 HE3 MET A 65 -5.492 -2.754 -2.530 1.00 0.00 H new ATOM 803 N PRO A 66 -9.228 -0.530 -7.433 1.00 0.00 N ATOM 804 CA PRO A 66 -9.779 0.701 -8.061 1.00 0.00 C ATOM 805 C PRO A 66 -9.122 1.972 -7.498 1.00 0.00 C ATOM 806 O PRO A 66 -8.436 1.937 -6.495 1.00 0.00 O ATOM 807 CB PRO A 66 -11.291 0.666 -7.731 1.00 0.00 C ATOM 808 CG PRO A 66 -11.589 -0.707 -7.169 1.00 0.00 C ATOM 809 CD PRO A 66 -10.282 -1.520 -7.164 1.00 0.00 C ATOM 0 HA PRO A 66 -9.587 0.726 -9.134 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.546 1.442 -7.009 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.885 0.854 -8.625 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -11.989 -0.625 -6.158 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -12.346 -1.208 -7.772 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -10.126 -2.014 -6.205 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -10.297 -2.300 -7.926 1.00 0.00 H new ATOM 817 N THR A 67 -9.330 3.092 -8.135 1.00 0.00 N ATOM 818 CA THR A 67 -8.720 4.359 -7.644 1.00 0.00 C ATOM 819 C THR A 67 -9.388 4.794 -6.335 1.00 0.00 C ATOM 820 O THR A 67 -8.782 5.451 -5.511 1.00 0.00 O ATOM 821 CB THR A 67 -8.931 5.451 -8.696 1.00 0.00 C ATOM 822 OG1 THR A 67 -10.293 5.852 -8.694 1.00 0.00 O ATOM 823 CG2 THR A 67 -8.564 4.912 -10.080 1.00 0.00 C ATOM 0 H THR A 67 -9.898 3.184 -8.977 1.00 0.00 H new ATOM 0 HA THR A 67 -7.656 4.200 -7.468 1.00 0.00 H new ATOM 0 HB THR A 67 -8.297 6.305 -8.460 1.00 0.00 H new ATOM 0 HG1 THR A 67 -10.429 6.552 -9.366 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.715 5.692 -10.826 1.00 0.00 H new ATOM 0 HG22 THR A 67 -7.519 4.603 -10.085 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.196 4.056 -10.316 1.00 0.00 H new ATOM 831 N LYS A 68 -10.636 4.459 -6.145 1.00 0.00 N ATOM 832 CA LYS A 68 -11.340 4.890 -4.902 1.00 0.00 C ATOM 833 C LYS A 68 -10.579 4.396 -3.666 1.00 0.00 C ATOM 834 O LYS A 68 -10.289 5.155 -2.761 1.00 0.00 O ATOM 835 CB LYS A 68 -12.745 4.285 -4.888 1.00 0.00 C ATOM 836 CG LYS A 68 -13.608 4.946 -5.966 1.00 0.00 C ATOM 837 CD LYS A 68 -15.009 4.331 -5.935 1.00 0.00 C ATOM 838 CE LYS A 68 -15.884 4.980 -7.008 1.00 0.00 C ATOM 839 NZ LYS A 68 -17.262 4.417 -6.930 1.00 0.00 N ATOM 0 H LYS A 68 -11.197 3.907 -6.794 1.00 0.00 H new ATOM 0 HA LYS A 68 -11.394 5.979 -4.883 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -12.689 3.211 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -13.201 4.425 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -13.666 6.021 -5.794 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -13.157 4.804 -6.948 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -14.948 3.256 -6.104 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -15.457 4.474 -4.952 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -15.912 6.060 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -15.461 4.800 -7.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -17.859 4.857 -7.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -17.226 3.389 -7.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -17.664 4.611 -5.990 1.00 0.00 H new ATOM 853 N GLU A 69 -10.241 3.137 -3.619 1.00 0.00 N ATOM 854 CA GLU A 69 -9.491 2.619 -2.439 1.00 0.00 C ATOM 855 C GLU A 69 -8.077 3.201 -2.438 1.00 0.00 C ATOM 856 O GLU A 69 -7.487 3.418 -1.398 1.00 0.00 O ATOM 857 CB GLU A 69 -9.433 1.087 -2.476 1.00 0.00 C ATOM 858 CG GLU A 69 -10.823 0.505 -2.190 1.00 0.00 C ATOM 859 CD GLU A 69 -11.735 0.720 -3.400 1.00 0.00 C ATOM 860 OE1 GLU A 69 -11.220 1.040 -4.458 1.00 0.00 O ATOM 861 OE2 GLU A 69 -12.935 0.556 -3.247 1.00 0.00 O ATOM 0 H GLU A 69 -10.450 2.448 -4.341 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.005 2.922 -1.527 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.082 0.751 -3.452 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.718 0.724 -1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.743 -0.559 -1.968 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -11.253 0.983 -1.310 1.00 0.00 H new ATOM 868 N ARG A 70 -7.524 3.453 -3.592 1.00 0.00 N ATOM 869 CA ARG A 70 -6.148 4.020 -3.647 1.00 0.00 C ATOM 870 C ARG A 70 -6.127 5.366 -2.916 1.00 0.00 C ATOM 871 O ARG A 70 -5.207 5.670 -2.182 1.00 0.00 O ATOM 872 CB ARG A 70 -5.747 4.217 -5.110 1.00 0.00 C ATOM 873 CG ARG A 70 -4.314 4.751 -5.194 1.00 0.00 C ATOM 874 CD ARG A 70 -3.932 4.925 -6.664 1.00 0.00 C ATOM 875 NE ARG A 70 -3.874 3.588 -7.317 1.00 0.00 N ATOM 876 CZ ARG A 70 -3.901 3.493 -8.617 1.00 0.00 C ATOM 877 NH1 ARG A 70 -3.986 4.570 -9.348 1.00 0.00 N ATOM 878 NH2 ARG A 70 -3.849 2.319 -9.185 1.00 0.00 N ATOM 0 H ARG A 70 -7.965 3.291 -4.498 1.00 0.00 H new ATOM 0 HA ARG A 70 -5.445 3.340 -3.167 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.823 3.271 -5.647 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -6.432 4.914 -5.593 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -4.236 5.703 -4.670 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.626 4.061 -4.706 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.661 5.558 -7.169 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.966 5.424 -6.744 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.813 2.745 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.031 5.486 -8.903 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.007 4.496 -10.365 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.787 1.477 -8.612 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.870 2.243 -10.202 1.00 0.00 H new ATOM 892 N GLU A 71 -7.137 6.169 -3.105 1.00 0.00 N ATOM 893 CA GLU A 71 -7.183 7.491 -2.417 1.00 0.00 C ATOM 894 C GLU A 71 -7.212 7.277 -0.901 1.00 0.00 C ATOM 895 O GLU A 71 -6.589 7.997 -0.147 1.00 0.00 O ATOM 896 CB GLU A 71 -8.435 8.252 -2.856 1.00 0.00 C ATOM 897 CG GLU A 71 -8.283 8.686 -4.317 1.00 0.00 C ATOM 898 CD GLU A 71 -7.202 9.760 -4.425 1.00 0.00 C ATOM 899 OE1 GLU A 71 -7.361 10.797 -3.803 1.00 0.00 O ATOM 900 OE2 GLU A 71 -6.232 9.529 -5.128 1.00 0.00 O ATOM 0 H GLU A 71 -7.935 5.967 -3.708 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.299 8.071 -2.682 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -9.316 7.620 -2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -8.585 9.124 -2.220 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.020 7.828 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.231 9.071 -4.693 1.00 0.00 H new ATOM 907 N GLN A 72 -7.946 6.297 -0.451 1.00 0.00 N ATOM 908 CA GLN A 72 -8.033 6.036 1.016 1.00 0.00 C ATOM 909 C GLN A 72 -6.635 5.733 1.561 1.00 0.00 C ATOM 910 O GLN A 72 -6.278 6.153 2.642 1.00 0.00 O ATOM 911 CB GLN A 72 -8.949 4.832 1.262 1.00 0.00 C ATOM 912 CG GLN A 72 -9.147 4.615 2.768 1.00 0.00 C ATOM 913 CD GLN A 72 -9.963 5.772 3.352 1.00 0.00 C ATOM 914 OE1 GLN A 72 -11.090 5.994 2.958 1.00 0.00 O ATOM 915 NE2 GLN A 72 -9.439 6.516 4.287 1.00 0.00 N ATOM 0 H GLN A 72 -8.491 5.664 -1.036 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.438 6.913 1.521 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -9.913 4.995 0.781 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.516 3.939 0.812 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -9.660 3.670 2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -8.180 4.551 3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.492 6.329 4.617 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.976 7.285 4.688 1.00 0.00 H new ATOM 924 N VAL A 73 -5.846 4.997 0.832 1.00 0.00 N ATOM 925 CA VAL A 73 -4.480 4.662 1.325 1.00 0.00 C ATOM 926 C VAL A 73 -3.622 5.934 1.384 1.00 0.00 C ATOM 927 O VAL A 73 -2.935 6.187 2.353 1.00 0.00 O ATOM 928 CB VAL A 73 -3.835 3.658 0.363 1.00 0.00 C ATOM 929 CG1 VAL A 73 -2.351 3.484 0.703 1.00 0.00 C ATOM 930 CG2 VAL A 73 -4.547 2.309 0.478 1.00 0.00 C ATOM 0 H VAL A 73 -6.086 4.613 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.548 4.230 2.323 1.00 0.00 H new ATOM 0 HB VAL A 73 -3.926 4.033 -0.656 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.901 2.769 0.014 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -1.842 4.444 0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -2.252 3.115 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -4.088 1.596 -0.206 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -4.462 1.938 1.500 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -5.600 2.430 0.223 1.00 0.00 H new ATOM 940 N ILE A 74 -3.646 6.727 0.349 1.00 0.00 N ATOM 941 CA ILE A 74 -2.820 7.972 0.333 1.00 0.00 C ATOM 942 C ILE A 74 -3.290 8.939 1.427 1.00 0.00 C ATOM 943 O ILE A 74 -2.493 9.593 2.070 1.00 0.00 O ATOM 944 CB ILE A 74 -2.960 8.658 -1.030 1.00 0.00 C ATOM 945 CG1 ILE A 74 -2.484 7.720 -2.154 1.00 0.00 C ATOM 946 CG2 ILE A 74 -2.122 9.939 -1.043 1.00 0.00 C ATOM 947 CD1 ILE A 74 -1.054 7.223 -1.896 1.00 0.00 C ATOM 0 H ILE A 74 -4.203 6.568 -0.490 1.00 0.00 H new ATOM 0 HA ILE A 74 -1.779 7.704 0.514 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.009 8.902 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.159 6.868 -2.230 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -2.523 8.244 -3.109 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -2.220 10.428 -2.012 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.473 10.611 -0.260 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -1.075 9.691 -0.866 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -0.746 6.563 -2.707 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -0.376 8.075 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -1.023 6.678 -0.953 1.00 0.00 H new ATOM 959 N ALA A 75 -4.575 9.057 1.628 1.00 0.00 N ATOM 960 CA ALA A 75 -5.084 10.008 2.659 1.00 0.00 C ATOM 961 C ALA A 75 -4.540 9.638 4.041 1.00 0.00 C ATOM 962 O ALA A 75 -4.140 10.496 4.805 1.00 0.00 O ATOM 963 CB ALA A 75 -6.612 9.963 2.688 1.00 0.00 C ATOM 0 H ALA A 75 -5.293 8.537 1.124 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.749 11.013 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -6.982 10.658 3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -7.003 10.245 1.710 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.942 8.953 2.933 1.00 0.00 H new ATOM 969 N HIS A 76 -4.512 8.378 4.377 1.00 0.00 N ATOM 970 CA HIS A 76 -3.985 7.998 5.715 1.00 0.00 C ATOM 971 C HIS A 76 -2.515 8.408 5.789 1.00 0.00 C ATOM 972 O HIS A 76 -2.067 8.980 6.763 1.00 0.00 O ATOM 973 CB HIS A 76 -4.100 6.479 5.914 1.00 0.00 C ATOM 974 CG HIS A 76 -4.009 6.157 7.382 1.00 0.00 C ATOM 975 ND1 HIS A 76 -5.019 5.490 8.055 1.00 0.00 N ATOM 976 CD2 HIS A 76 -3.047 6.427 8.323 1.00 0.00 C ATOM 977 CE1 HIS A 76 -4.644 5.379 9.342 1.00 0.00 C ATOM 978 NE2 HIS A 76 -3.450 5.934 9.560 1.00 0.00 N ATOM 0 H HIS A 76 -4.827 7.605 3.791 1.00 0.00 H new ATOM 0 HA HIS A 76 -4.560 8.500 6.493 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.046 6.119 5.510 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -3.306 5.969 5.369 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -2.118 6.944 8.132 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -5.237 4.899 10.106 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -2.942 5.986 10.443 1.00 0.00 H new ATOM 986 N LEU A 77 -1.767 8.135 4.756 1.00 0.00 N ATOM 987 CA LEU A 77 -0.333 8.522 4.755 1.00 0.00 C ATOM 988 C LEU A 77 -0.243 10.049 4.742 1.00 0.00 C ATOM 989 O LEU A 77 0.575 10.638 5.415 1.00 0.00 O ATOM 990 CB LEU A 77 0.343 7.956 3.502 1.00 0.00 C ATOM 991 CG LEU A 77 0.361 6.422 3.557 1.00 0.00 C ATOM 992 CD1 LEU A 77 0.807 5.878 2.196 1.00 0.00 C ATOM 993 CD2 LEU A 77 1.335 5.933 4.649 1.00 0.00 C ATOM 0 H LEU A 77 -2.089 7.660 3.913 1.00 0.00 H new ATOM 0 HA LEU A 77 0.166 8.127 5.640 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.189 8.289 2.611 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.362 8.337 3.426 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.640 6.062 3.795 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.822 4.789 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.111 6.209 1.426 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.806 6.249 1.966 1.00 0.00 H new ATOM 0 HD21 LEU A 77 1.336 4.843 4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.340 6.291 4.427 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.018 6.318 5.618 1.00 0.00 H new