USER MOD reduce.3.24.130724 H: found=0, std=0, add=629, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 625 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 57 GLN : amide:sc= -0.0096 X(o=-0.0096,f=-0.076) USER MOD Set 1.2: A 80 TYR OH : rot 30:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -135:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot -79:sc= 1.14 USER MOD Single : A 4 ASN : amide:sc= 0.214 X(o=0.21,f=-0.23) USER MOD Single : A 6 GLN : amide:sc= 0.0479 X(o=0.048,f=-0.04) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.00278 USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.109) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.049) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -168:sc= -0.0581 (180deg=-0.0615) USER MOD Single : A 47 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ -146:sc= 1.07 (180deg=-1.24!) USER MOD Single : A 61 SER OG : rot 0:sc= 0.463 USER MOD Single : A 64 SER OG : rot 180:sc= 0.0766 USER MOD Single : A 65 HIS : no HE2:sc= 0.974 K(o=0.97,f=-2.9!) USER MOD Single : A 67 GLN : amide:sc= -0.42 X(o=-0.42,f=-0.82) USER MOD Single : A 68 ASN : amide:sc= 0.189 K(o=0.19,f=-4!) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 1.18 (180deg=1.16) USER MOD Single : A 70 SER OG : rot 180:sc= 0.156 USER MOD Single : A 74 CYS SG : rot -36:sc= 0 USER MOD Single : A 77 MET CE :methyl 171:sc= -7.2! (180deg=-7.64!) USER MOD Single : A 78 LYS NZ :NH3+ -170:sc=-0.00128 (180deg=-0.102) USER MOD Single : A 79 THR OG1 : rot 78:sc= 0.961 USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.490 -2.149 -7.760 1.00 11.34 N ATOM 2 CA GLY A 1 13.713 -1.166 -6.998 1.00 52.14 C ATOM 3 C GLY A 1 14.648 -0.152 -6.386 1.00 71.15 C ATOM 4 O GLY A 1 15.703 0.121 -6.958 1.00 34.41 O ATOM 0 H1 GLY A 1 14.032 -2.317 -8.678 1.00 11.34 H new ATOM 0 H2 GLY A 1 15.453 -1.787 -7.914 1.00 11.34 H new ATOM 0 H3 GLY A 1 14.537 -3.042 -7.228 1.00 11.34 H new ATOM 0 HA2 GLY A 1 12.996 -0.668 -7.651 1.00 52.14 H new ATOM 0 HA3 GLY A 1 13.140 -1.666 -6.217 1.00 52.14 H new ATOM 8 N SER A 2 14.297 0.348 -5.206 1.00 34.51 N ATOM 9 CA SER A 2 15.217 1.019 -4.305 1.00 50.25 C ATOM 10 C SER A 2 15.483 0.085 -3.121 1.00 34.13 C ATOM 11 O SER A 2 15.210 -1.120 -3.181 1.00 31.20 O ATOM 12 CB SER A 2 14.652 2.398 -3.936 1.00 50.12 C ATOM 13 OG SER A 2 15.628 3.414 -4.078 1.00 1.21 O ATOM 0 H SER A 2 13.344 0.295 -4.845 1.00 34.51 H new ATOM 0 HA SER A 2 16.184 1.222 -4.764 1.00 50.25 H new ATOM 0 HB2 SER A 2 13.796 2.623 -4.572 1.00 50.12 H new ATOM 0 HB3 SER A 2 14.290 2.381 -2.908 1.00 50.12 H new ATOM 0 HG SER A 2 16.224 3.407 -3.300 1.00 1.21 H new ATOM 19 N GLU A 3 16.088 0.618 -2.068 1.00 74.31 N ATOM 20 CA GLU A 3 16.417 -0.077 -0.840 1.00 54.31 C ATOM 21 C GLU A 3 15.170 -0.577 -0.101 1.00 14.12 C ATOM 22 O GLU A 3 15.263 -1.600 0.583 1.00 73.42 O ATOM 23 CB GLU A 3 17.305 0.808 0.063 1.00 61.32 C ATOM 24 CG GLU A 3 16.968 2.311 0.167 1.00 23.24 C ATOM 25 CD GLU A 3 17.696 3.135 -0.905 1.00 12.13 C ATOM 26 OE1 GLU A 3 17.235 3.120 -2.071 1.00 34.10 O ATOM 27 OE2 GLU A 3 18.786 3.686 -0.643 1.00 25.20 O ATOM 0 H GLU A 3 16.375 1.597 -2.051 1.00 74.31 H new ATOM 0 HA GLU A 3 16.987 -0.967 -1.108 1.00 54.31 H new ATOM 0 HB2 GLU A 3 17.278 0.390 1.069 1.00 61.32 H new ATOM 0 HB3 GLU A 3 18.332 0.720 -0.291 1.00 61.32 H new ATOM 0 HG2 GLU A 3 15.892 2.450 0.064 1.00 23.24 H new ATOM 0 HG3 GLU A 3 17.243 2.677 1.156 1.00 23.24 H new ATOM 34 N ASN A 4 14.019 0.101 -0.230 1.00 42.31 N ATOM 35 CA ASN A 4 12.825 -0.199 0.573 1.00 31.40 C ATOM 36 C ASN A 4 12.381 -1.642 0.342 1.00 4.20 C ATOM 37 O ASN A 4 11.941 -2.306 1.277 1.00 73.54 O ATOM 38 CB ASN A 4 11.625 0.725 0.270 1.00 22.51 C ATOM 39 CG ASN A 4 12.009 2.156 -0.066 1.00 13.33 C ATOM 40 OD1 ASN A 4 12.157 2.996 0.816 1.00 12.40 O ATOM 41 ND2 ASN A 4 12.212 2.430 -1.342 1.00 32.21 N ATOM 0 H ASN A 4 13.891 0.868 -0.890 1.00 42.31 H new ATOM 0 HA ASN A 4 13.121 -0.034 1.609 1.00 31.40 H new ATOM 0 HB2 ASN A 4 11.061 0.307 -0.564 1.00 22.51 H new ATOM 0 HB3 ASN A 4 10.960 0.733 1.133 1.00 22.51 H new ATOM 0 HD21 ASN A 4 12.502 3.367 -1.623 1.00 32.21 H new ATOM 0 HD22 ASN A 4 12.079 1.705 -2.047 1.00 32.21 H new ATOM 48 N PHE A 5 12.514 -2.124 -0.897 1.00 1.30 N ATOM 49 CA PHE A 5 12.118 -3.444 -1.358 1.00 23.21 C ATOM 50 C PHE A 5 12.524 -4.548 -0.386 1.00 3.13 C ATOM 51 O PHE A 5 11.688 -5.348 0.014 1.00 24.31 O ATOM 52 CB PHE A 5 12.741 -3.684 -2.738 1.00 74.25 C ATOM 53 CG PHE A 5 12.367 -5.013 -3.362 1.00 32.24 C ATOM 54 CD1 PHE A 5 11.047 -5.243 -3.795 1.00 10.43 C ATOM 55 CD2 PHE A 5 13.338 -6.020 -3.517 1.00 21.24 C ATOM 56 CE1 PHE A 5 10.712 -6.466 -4.401 1.00 52.42 C ATOM 57 CE2 PHE A 5 12.997 -7.239 -4.127 1.00 44.44 C ATOM 58 CZ PHE A 5 11.688 -7.456 -4.582 1.00 2.21 C ATOM 0 H PHE A 5 12.926 -1.565 -1.644 1.00 1.30 H new ATOM 0 HA PHE A 5 11.030 -3.477 -1.420 1.00 23.21 H new ATOM 0 HB2 PHE A 5 12.434 -2.881 -3.408 1.00 74.25 H new ATOM 0 HB3 PHE A 5 13.826 -3.629 -2.650 1.00 74.25 H new ATOM 0 HD1 PHE A 5 10.293 -4.481 -3.662 1.00 10.43 H new ATOM 0 HD2 PHE A 5 14.346 -5.856 -3.167 1.00 21.24 H new ATOM 0 HE1 PHE A 5 9.698 -6.644 -4.729 1.00 52.42 H new ATOM 0 HE2 PHE A 5 13.744 -8.010 -4.246 1.00 44.44 H new ATOM 0 HZ PHE A 5 11.432 -8.384 -5.071 1.00 2.21 H new ATOM 68 N GLN A 6 13.808 -4.604 -0.015 1.00 1.04 N ATOM 69 CA GLN A 6 14.317 -5.675 0.831 1.00 50.33 C ATOM 70 C GLN A 6 13.628 -5.666 2.191 1.00 62.31 C ATOM 71 O GLN A 6 13.296 -6.736 2.700 1.00 70.34 O ATOM 72 CB GLN A 6 15.837 -5.526 0.994 1.00 12.11 C ATOM 73 CG GLN A 6 16.453 -6.639 1.855 1.00 4.13 C ATOM 74 CD GLN A 6 16.338 -7.998 1.175 1.00 65.22 C ATOM 75 OE1 GLN A 6 17.198 -8.367 0.373 1.00 53.25 O ATOM 76 NE2 GLN A 6 15.270 -8.730 1.433 1.00 72.25 N ATOM 0 H GLN A 6 14.510 -3.917 -0.291 1.00 1.04 H new ATOM 0 HA GLN A 6 14.102 -6.632 0.355 1.00 50.33 H new ATOM 0 HB2 GLN A 6 16.306 -5.532 0.010 1.00 12.11 H new ATOM 0 HB3 GLN A 6 16.057 -4.559 1.446 1.00 12.11 H new ATOM 0 HG2 GLN A 6 17.502 -6.414 2.046 1.00 4.13 H new ATOM 0 HG3 GLN A 6 15.952 -6.671 2.823 1.00 4.13 H new ATOM 0 HE21 GLN A 6 14.574 -8.399 2.102 1.00 72.25 H new ATOM 0 HE22 GLN A 6 15.140 -9.626 0.964 1.00 72.25 H new ATOM 85 N THR A 7 13.426 -4.485 2.773 1.00 25.32 N ATOM 86 CA THR A 7 12.807 -4.367 4.080 1.00 1.51 C ATOM 87 C THR A 7 11.341 -4.809 3.995 1.00 42.04 C ATOM 88 O THR A 7 10.868 -5.502 4.889 1.00 54.53 O ATOM 89 CB THR A 7 12.979 -2.927 4.595 1.00 52.33 C ATOM 90 OG1 THR A 7 14.299 -2.461 4.342 1.00 43.53 O ATOM 91 CG2 THR A 7 12.735 -2.838 6.101 1.00 64.14 C ATOM 0 H THR A 7 13.686 -3.594 2.351 1.00 25.32 H new ATOM 0 HA THR A 7 13.292 -5.024 4.802 1.00 1.51 H new ATOM 0 HB THR A 7 12.248 -2.314 4.068 1.00 52.33 H new ATOM 0 HG1 THR A 7 14.391 -1.544 4.674 1.00 43.53 H new ATOM 0 HG21 THR A 7 12.865 -1.807 6.430 1.00 64.14 H new ATOM 0 HG22 THR A 7 11.720 -3.165 6.325 1.00 64.14 H new ATOM 0 HG23 THR A 7 13.446 -3.478 6.623 1.00 64.14 H new ATOM 99 N LEU A 8 10.631 -4.507 2.899 1.00 30.20 N ATOM 100 CA LEU A 8 9.252 -4.965 2.719 1.00 52.31 C ATOM 101 C LEU A 8 9.174 -6.492 2.684 1.00 63.23 C ATOM 102 O LEU A 8 8.197 -7.058 3.174 1.00 61.53 O ATOM 103 CB LEU A 8 8.648 -4.431 1.415 1.00 41.04 C ATOM 104 CG LEU A 8 8.118 -2.979 1.384 1.00 34.24 C ATOM 105 CD1 LEU A 8 8.677 -2.033 2.454 1.00 34.20 C ATOM 106 CD2 LEU A 8 8.395 -2.388 -0.006 1.00 11.24 C ATOM 0 H LEU A 8 10.991 -3.948 2.126 1.00 30.20 H new ATOM 0 HA LEU A 8 8.689 -4.582 3.570 1.00 52.31 H new ATOM 0 HB2 LEU A 8 9.406 -4.523 0.637 1.00 41.04 H new ATOM 0 HB3 LEU A 8 7.825 -5.090 1.138 1.00 41.04 H new ATOM 0 HG LEU A 8 7.054 -3.054 1.609 1.00 34.24 H new ATOM 0 HD11 LEU A 8 8.234 -1.045 2.333 1.00 34.20 H new ATOM 0 HD12 LEU A 8 8.436 -2.420 3.444 1.00 34.20 H new ATOM 0 HD13 LEU A 8 9.759 -1.961 2.346 1.00 34.20 H new ATOM 0 HD21 LEU A 8 8.027 -1.363 -0.045 1.00 11.24 H new ATOM 0 HD22 LEU A 8 9.468 -2.396 -0.198 1.00 11.24 H new ATOM 0 HD23 LEU A 8 7.887 -2.985 -0.763 1.00 11.24 H new ATOM 118 N LEU A 9 10.163 -7.165 2.087 1.00 33.11 N ATOM 119 CA LEU A 9 10.220 -8.625 2.076 1.00 4.01 C ATOM 120 C LEU A 9 10.398 -9.180 3.492 1.00 21.33 C ATOM 121 O LEU A 9 10.037 -10.332 3.737 1.00 34.42 O ATOM 122 CB LEU A 9 11.366 -9.128 1.170 1.00 11.04 C ATOM 123 CG LEU A 9 11.022 -9.432 -0.299 1.00 62.21 C ATOM 124 CD1 LEU A 9 9.694 -10.167 -0.529 1.00 64.43 C ATOM 125 CD2 LEU A 9 11.027 -8.168 -1.150 1.00 62.15 C ATOM 0 H LEU A 9 10.939 -6.715 1.602 1.00 33.11 H new ATOM 0 HA LEU A 9 9.272 -8.985 1.676 1.00 4.01 H new ATOM 0 HB2 LEU A 9 12.159 -8.381 1.183 1.00 11.04 H new ATOM 0 HB3 LEU A 9 11.775 -10.035 1.615 1.00 11.04 H new ATOM 0 HG LEU A 9 11.816 -10.114 -0.605 1.00 62.21 H new ATOM 0 HD11 LEU A 9 9.549 -10.331 -1.597 1.00 64.43 H new ATOM 0 HD12 LEU A 9 9.716 -11.127 -0.014 1.00 64.43 H new ATOM 0 HD13 LEU A 9 8.873 -9.565 -0.140 1.00 64.43 H new ATOM 0 HD21 LEU A 9 10.780 -8.422 -2.181 1.00 62.15 H new ATOM 0 HD22 LEU A 9 10.289 -7.466 -0.763 1.00 62.15 H new ATOM 0 HD23 LEU A 9 12.016 -7.711 -1.116 1.00 62.15 H new ATOM 137 N ASP A 10 10.934 -8.400 4.427 1.00 31.24 N ATOM 138 CA ASP A 10 11.043 -8.792 5.839 1.00 3.11 C ATOM 139 C ASP A 10 9.789 -8.424 6.637 1.00 22.34 C ATOM 140 O ASP A 10 9.454 -9.082 7.622 1.00 45.34 O ATOM 141 CB ASP A 10 12.262 -8.133 6.490 1.00 53.13 C ATOM 142 CG ASP A 10 12.473 -8.701 7.895 1.00 72.24 C ATOM 143 OD1 ASP A 10 13.102 -9.776 8.008 1.00 23.03 O ATOM 144 OD2 ASP A 10 11.979 -8.111 8.881 1.00 24.43 O ATOM 0 H ASP A 10 11.309 -7.472 4.230 1.00 31.24 H new ATOM 0 HA ASP A 10 11.155 -9.876 5.856 1.00 3.11 H new ATOM 0 HB2 ASP A 10 13.149 -8.307 5.881 1.00 53.13 H new ATOM 0 HB3 ASP A 10 12.118 -7.054 6.542 1.00 53.13 H new ATOM 149 N ALA A 11 9.039 -7.425 6.166 1.00 2.50 N ATOM 150 CA ALA A 11 8.000 -6.689 6.883 1.00 21.42 C ATOM 151 C ALA A 11 6.698 -7.482 7.015 1.00 2.31 C ATOM 152 O ALA A 11 5.648 -6.916 7.335 1.00 54.43 O ATOM 153 CB ALA A 11 7.729 -5.384 6.132 1.00 44.44 C ATOM 0 H ALA A 11 9.150 -7.088 5.210 1.00 2.50 H new ATOM 0 HA ALA A 11 8.358 -6.498 7.895 1.00 21.42 H new ATOM 0 HB1 ALA A 11 6.955 -4.819 6.652 1.00 44.44 H new ATOM 0 HB2 ALA A 11 8.643 -4.792 6.089 1.00 44.44 H new ATOM 0 HB3 ALA A 11 7.395 -5.610 5.119 1.00 44.44 H new ATOM 159 N GLY A 12 6.747 -8.772 6.705 1.00 50.12 N ATOM 160 CA GLY A 12 5.623 -9.668 6.756 1.00 13.20 C ATOM 161 C GLY A 12 4.890 -9.821 5.436 1.00 71.24 C ATOM 162 O GLY A 12 3.757 -10.296 5.458 1.00 71.22 O ATOM 0 H GLY A 12 7.607 -9.229 6.401 1.00 50.12 H new ATOM 0 HA2 GLY A 12 5.969 -10.649 7.083 1.00 13.20 H new ATOM 0 HA3 GLY A 12 4.921 -9.310 7.509 1.00 13.20 H new ATOM 166 N LEU A 13 5.495 -9.416 4.312 1.00 41.11 N ATOM 167 CA LEU A 13 4.807 -9.348 3.026 1.00 51.03 C ATOM 168 C LEU A 13 5.444 -10.247 1.949 1.00 71.45 C ATOM 169 O LEU A 13 6.649 -10.507 2.005 1.00 5.14 O ATOM 170 CB LEU A 13 4.885 -7.915 2.507 1.00 64.25 C ATOM 171 CG LEU A 13 4.374 -6.773 3.391 1.00 21.43 C ATOM 172 CD1 LEU A 13 4.889 -5.443 2.828 1.00 70.54 C ATOM 173 CD2 LEU A 13 2.846 -6.771 3.385 1.00 32.31 C ATOM 0 H LEU A 13 6.473 -9.128 4.273 1.00 41.11 H new ATOM 0 HA LEU A 13 3.785 -9.685 3.199 1.00 51.03 H new ATOM 0 HB2 LEU A 13 5.929 -7.707 2.273 1.00 64.25 H new ATOM 0 HB3 LEU A 13 4.333 -7.875 1.568 1.00 64.25 H new ATOM 0 HG LEU A 13 4.730 -6.906 4.413 1.00 21.43 H new ATOM 0 HD11 LEU A 13 4.531 -4.622 3.449 1.00 70.54 H new ATOM 0 HD12 LEU A 13 5.979 -5.447 2.824 1.00 70.54 H new ATOM 0 HD13 LEU A 13 4.523 -5.313 1.809 1.00 70.54 H new ATOM 0 HD21 LEU A 13 2.481 -5.959 4.014 1.00 32.31 H new ATOM 0 HD22 LEU A 13 2.486 -6.631 2.366 1.00 32.31 H new ATOM 0 HD23 LEU A 13 2.479 -7.722 3.771 1.00 32.31 H new ATOM 185 N PRO A 14 4.687 -10.647 0.906 1.00 25.14 N ATOM 186 CA PRO A 14 5.191 -11.394 -0.254 1.00 72.52 C ATOM 187 C PRO A 14 5.955 -10.509 -1.261 1.00 70.24 C ATOM 188 O PRO A 14 5.922 -9.275 -1.185 1.00 70.55 O ATOM 189 CB PRO A 14 3.930 -11.983 -0.904 1.00 44.14 C ATOM 190 CG PRO A 14 2.875 -10.932 -0.593 1.00 24.41 C ATOM 191 CD PRO A 14 3.241 -10.489 0.814 1.00 31.34 C ATOM 0 HA PRO A 14 5.914 -12.149 0.055 1.00 72.52 H new ATOM 0 HB2 PRO A 14 4.056 -12.126 -1.977 1.00 44.14 H new ATOM 0 HB3 PRO A 14 3.672 -12.954 -0.481 1.00 44.14 H new ATOM 0 HG2 PRO A 14 2.910 -10.103 -1.300 1.00 24.41 H new ATOM 0 HG3 PRO A 14 1.867 -11.346 -0.637 1.00 24.41 H new ATOM 0 HD2 PRO A 14 2.947 -9.454 0.989 1.00 31.34 H new ATOM 0 HD3 PRO A 14 2.731 -11.096 1.562 1.00 31.34 H new ATOM 199 N GLN A 15 6.584 -11.131 -2.273 1.00 21.34 N ATOM 200 CA GLN A 15 7.378 -10.466 -3.297 1.00 3.41 C ATOM 201 C GLN A 15 6.474 -9.732 -4.269 1.00 41.32 C ATOM 202 O GLN A 15 6.775 -8.604 -4.654 1.00 63.15 O ATOM 203 CB GLN A 15 8.249 -11.494 -4.048 1.00 74.24 C ATOM 204 CG GLN A 15 9.022 -10.858 -5.225 1.00 2.04 C ATOM 205 CD GLN A 15 10.429 -11.420 -5.403 1.00 30.30 C ATOM 206 OE1 GLN A 15 10.724 -12.190 -6.317 1.00 44.45 O ATOM 207 NE2 GLN A 15 11.341 -11.004 -4.545 1.00 74.14 N ATOM 0 H GLN A 15 6.547 -12.143 -2.396 1.00 21.34 H new ATOM 0 HA GLN A 15 8.033 -9.740 -2.815 1.00 3.41 H new ATOM 0 HB2 GLN A 15 8.957 -11.944 -3.352 1.00 74.24 H new ATOM 0 HB3 GLN A 15 7.616 -12.298 -4.424 1.00 74.24 H new ATOM 0 HG2 GLN A 15 8.458 -11.012 -6.145 1.00 2.04 H new ATOM 0 HG3 GLN A 15 9.087 -9.781 -5.068 1.00 2.04 H new ATOM 0 HE21 GLN A 15 11.080 -10.366 -3.793 1.00 74.14 H new ATOM 0 HE22 GLN A 15 12.307 -11.320 -4.634 1.00 74.14 H new ATOM 216 N LYS A 16 5.377 -10.370 -4.693 1.00 53.22 N ATOM 217 CA LYS A 16 4.548 -9.813 -5.754 1.00 25.50 C ATOM 218 C LYS A 16 4.055 -8.412 -5.405 1.00 4.20 C ATOM 219 O LYS A 16 3.972 -7.552 -6.273 1.00 30.22 O ATOM 220 CB LYS A 16 3.351 -10.749 -6.032 1.00 34.13 C ATOM 221 CG LYS A 16 3.350 -11.366 -7.433 1.00 12.42 C ATOM 222 CD LYS A 16 2.717 -10.489 -8.529 1.00 71.24 C ATOM 223 CE LYS A 16 1.185 -10.455 -8.483 1.00 32.34 C ATOM 224 NZ LYS A 16 0.587 -9.562 -9.504 1.00 21.33 N ATOM 0 H LYS A 16 5.050 -11.261 -4.320 1.00 53.22 H new ATOM 0 HA LYS A 16 5.160 -9.732 -6.652 1.00 25.50 H new ATOM 0 HB2 LYS A 16 3.352 -11.551 -5.294 1.00 34.13 H new ATOM 0 HB3 LYS A 16 2.426 -10.189 -5.893 1.00 34.13 H new ATOM 0 HG2 LYS A 16 4.379 -11.589 -7.716 1.00 12.42 H new ATOM 0 HG3 LYS A 16 2.816 -12.316 -7.395 1.00 12.42 H new ATOM 0 HD2 LYS A 16 3.097 -9.472 -8.433 1.00 71.24 H new ATOM 0 HD3 LYS A 16 3.034 -10.857 -9.505 1.00 71.24 H new ATOM 0 HE2 LYS A 16 0.802 -11.465 -8.625 1.00 32.34 H new ATOM 0 HE3 LYS A 16 0.865 -10.129 -7.493 1.00 32.34 H new ATOM 0 HZ1 LYS A 16 -0.438 -9.491 -9.345 1.00 21.33 H new ATOM 0 HZ2 LYS A 16 1.015 -8.617 -9.432 1.00 21.33 H new ATOM 0 HZ3 LYS A 16 0.764 -9.951 -10.452 1.00 21.33 H new ATOM 238 N VAL A 17 3.720 -8.231 -4.136 1.00 73.34 N ATOM 239 CA VAL A 17 3.299 -6.998 -3.510 1.00 72.22 C ATOM 240 C VAL A 17 4.530 -6.088 -3.431 1.00 52.33 C ATOM 241 O VAL A 17 4.482 -4.965 -3.935 1.00 71.25 O ATOM 242 CB VAL A 17 2.683 -7.390 -2.145 1.00 41.12 C ATOM 243 CG1 VAL A 17 2.351 -6.211 -1.219 1.00 32.50 C ATOM 244 CG2 VAL A 17 1.425 -8.261 -2.381 1.00 13.04 C ATOM 0 H VAL A 17 3.739 -9.005 -3.472 1.00 73.34 H new ATOM 0 HA VAL A 17 2.539 -6.439 -4.056 1.00 72.22 H new ATOM 0 HB VAL A 17 3.455 -7.951 -1.618 1.00 41.12 H new ATOM 0 HG11 VAL A 17 1.925 -6.588 -0.289 1.00 32.50 H new ATOM 0 HG12 VAL A 17 3.261 -5.652 -1.001 1.00 32.50 H new ATOM 0 HG13 VAL A 17 1.631 -5.555 -1.709 1.00 32.50 H new ATOM 0 HG21 VAL A 17 0.989 -8.538 -1.421 1.00 13.04 H new ATOM 0 HG22 VAL A 17 0.695 -7.696 -2.961 1.00 13.04 H new ATOM 0 HG23 VAL A 17 1.704 -9.162 -2.927 1.00 13.04 H new ATOM 254 N ALA A 18 5.647 -6.584 -2.873 1.00 52.32 N ATOM 255 CA ALA A 18 6.861 -5.810 -2.596 1.00 70.12 C ATOM 256 C ALA A 18 7.347 -5.053 -3.818 1.00 33.24 C ATOM 257 O ALA A 18 7.740 -3.896 -3.703 1.00 32.52 O ATOM 258 CB ALA A 18 8.005 -6.707 -2.100 1.00 14.03 C ATOM 0 H ALA A 18 5.729 -7.562 -2.596 1.00 52.32 H new ATOM 0 HA ALA A 18 6.586 -5.099 -1.817 1.00 70.12 H new ATOM 0 HB1 ALA A 18 8.887 -6.097 -1.906 1.00 14.03 H new ATOM 0 HB2 ALA A 18 7.701 -7.209 -1.182 1.00 14.03 H new ATOM 0 HB3 ALA A 18 8.239 -7.452 -2.861 1.00 14.03 H new ATOM 264 N GLU A 19 7.313 -5.709 -4.975 1.00 73.53 N ATOM 265 CA GLU A 19 7.741 -5.149 -6.243 1.00 32.52 C ATOM 266 C GLU A 19 7.039 -3.811 -6.500 1.00 42.11 C ATOM 267 O GLU A 19 7.694 -2.787 -6.715 1.00 30.40 O ATOM 268 CB GLU A 19 7.412 -6.164 -7.351 1.00 21.42 C ATOM 269 CG GLU A 19 8.362 -7.374 -7.478 1.00 62.13 C ATOM 270 CD GLU A 19 8.612 -7.641 -8.969 1.00 44.24 C ATOM 271 OE1 GLU A 19 7.791 -8.311 -9.615 1.00 22.31 O ATOM 272 OE2 GLU A 19 9.561 -7.034 -9.537 1.00 53.21 O ATOM 0 H GLU A 19 6.978 -6.669 -5.053 1.00 73.53 H new ATOM 0 HA GLU A 19 8.814 -4.957 -6.228 1.00 32.52 H new ATOM 0 HB2 GLU A 19 6.402 -6.539 -7.182 1.00 21.42 H new ATOM 0 HB3 GLU A 19 7.401 -5.637 -8.305 1.00 21.42 H new ATOM 0 HG2 GLU A 19 9.303 -7.172 -6.966 1.00 62.13 H new ATOM 0 HG3 GLU A 19 7.923 -8.252 -7.004 1.00 62.13 H new ATOM 279 N LYS A 20 5.700 -3.805 -6.461 1.00 11.30 N ATOM 280 CA LYS A 20 4.942 -2.573 -6.690 1.00 64.52 C ATOM 281 C LYS A 20 4.999 -1.652 -5.473 1.00 72.12 C ATOM 282 O LYS A 20 4.839 -0.447 -5.641 1.00 71.42 O ATOM 283 CB LYS A 20 3.473 -2.875 -7.037 1.00 21.42 C ATOM 284 CG LYS A 20 3.211 -3.109 -8.534 1.00 41.44 C ATOM 285 CD LYS A 20 3.703 -4.457 -9.081 1.00 74.32 C ATOM 286 CE LYS A 20 5.032 -4.354 -9.832 1.00 11.43 C ATOM 287 NZ LYS A 20 5.274 -5.569 -10.635 1.00 34.33 N ATOM 0 H LYS A 20 5.128 -4.629 -6.275 1.00 11.30 H new ATOM 0 HA LYS A 20 5.407 -2.068 -7.537 1.00 64.52 H new ATOM 0 HB2 LYS A 20 3.155 -3.758 -6.482 1.00 21.42 H new ATOM 0 HB3 LYS A 20 2.854 -2.045 -6.697 1.00 21.42 H new ATOM 0 HG2 LYS A 20 2.139 -3.031 -8.715 1.00 41.44 H new ATOM 0 HG3 LYS A 20 3.689 -2.309 -9.100 1.00 41.44 H new ATOM 0 HD2 LYS A 20 3.814 -5.159 -8.254 1.00 74.32 H new ATOM 0 HD3 LYS A 20 2.946 -4.869 -9.749 1.00 74.32 H new ATOM 0 HE2 LYS A 20 5.021 -3.479 -10.482 1.00 11.43 H new ATOM 0 HE3 LYS A 20 5.847 -4.213 -9.122 1.00 11.43 H new ATOM 0 HZ1 LYS A 20 6.181 -5.479 -11.137 1.00 34.33 H new ATOM 0 HZ2 LYS A 20 5.306 -6.399 -10.009 1.00 34.33 H new ATOM 0 HZ3 LYS A 20 4.506 -5.687 -11.326 1.00 34.33 H new ATOM 301 N LEU A 21 5.176 -2.189 -4.264 1.00 62.33 N ATOM 302 CA LEU A 21 5.095 -1.436 -3.017 1.00 23.30 C ATOM 303 C LEU A 21 6.331 -0.572 -2.821 1.00 22.11 C ATOM 304 O LEU A 21 6.197 0.581 -2.428 1.00 53.02 O ATOM 305 CB LEU A 21 4.917 -2.411 -1.842 1.00 11.14 C ATOM 306 CG LEU A 21 4.599 -1.755 -0.492 1.00 51.21 C ATOM 307 CD1 LEU A 21 3.458 -0.739 -0.528 1.00 34.50 C ATOM 308 CD2 LEU A 21 4.253 -2.852 0.514 1.00 11.14 C ATOM 0 H LEU A 21 5.383 -3.178 -4.125 1.00 62.33 H new ATOM 0 HA LEU A 21 4.234 -0.770 -3.061 1.00 23.30 H new ATOM 0 HB2 LEU A 21 4.116 -3.108 -2.087 1.00 11.14 H new ATOM 0 HB3 LEU A 21 5.829 -2.998 -1.737 1.00 11.14 H new ATOM 0 HG LEU A 21 5.490 -1.196 -0.207 1.00 51.21 H new ATOM 0 HD11 LEU A 21 3.305 -0.328 0.470 1.00 34.50 H new ATOM 0 HD12 LEU A 21 3.710 0.067 -1.218 1.00 34.50 H new ATOM 0 HD13 LEU A 21 2.544 -1.230 -0.862 1.00 34.50 H new ATOM 0 HD21 LEU A 21 4.024 -2.401 1.480 1.00 11.14 H new ATOM 0 HD22 LEU A 21 3.386 -3.410 0.160 1.00 11.14 H new ATOM 0 HD23 LEU A 21 5.101 -3.528 0.621 1.00 11.14 H new ATOM 320 N ASP A 22 7.516 -1.103 -3.126 1.00 50.14 N ATOM 321 CA ASP A 22 8.783 -0.377 -3.049 1.00 54.23 C ATOM 322 C ASP A 22 8.704 0.903 -3.870 1.00 25.22 C ATOM 323 O ASP A 22 9.013 1.974 -3.365 1.00 1.03 O ATOM 324 CB ASP A 22 9.902 -1.280 -3.556 1.00 73.53 C ATOM 325 CG ASP A 22 11.184 -0.505 -3.876 1.00 23.33 C ATOM 326 OD1 ASP A 22 11.835 0.029 -2.954 1.00 34.42 O ATOM 327 OD2 ASP A 22 11.558 -0.532 -5.072 1.00 22.10 O ATOM 0 H ASP A 22 7.623 -2.068 -3.439 1.00 50.14 H new ATOM 0 HA ASP A 22 8.989 -0.100 -2.015 1.00 54.23 H new ATOM 0 HB2 ASP A 22 10.119 -2.040 -2.805 1.00 73.53 H new ATOM 0 HB3 ASP A 22 9.565 -1.803 -4.451 1.00 73.53 H new ATOM 332 N GLU A 23 8.177 0.795 -5.090 1.00 30.50 N ATOM 333 CA GLU A 23 7.932 1.874 -6.038 1.00 50.05 C ATOM 334 C GLU A 23 7.190 3.043 -5.407 1.00 32.53 C ATOM 335 O GLU A 23 7.415 4.207 -5.750 1.00 24.53 O ATOM 336 CB GLU A 23 7.065 1.300 -7.171 1.00 52.34 C ATOM 337 CG GLU A 23 7.710 1.441 -8.549 1.00 21.23 C ATOM 338 CD GLU A 23 7.386 2.819 -9.102 1.00 13.21 C ATOM 339 OE1 GLU A 23 8.051 3.807 -8.719 1.00 32.50 O ATOM 340 OE2 GLU A 23 6.313 2.998 -9.714 1.00 63.44 O ATOM 0 H GLU A 23 7.892 -0.110 -5.464 1.00 30.50 H new ATOM 0 HA GLU A 23 8.891 2.249 -6.395 1.00 50.05 H new ATOM 0 HB2 GLU A 23 6.871 0.246 -6.973 1.00 52.34 H new ATOM 0 HB3 GLU A 23 6.100 1.807 -7.174 1.00 52.34 H new ATOM 0 HG2 GLU A 23 8.789 1.308 -8.476 1.00 21.23 H new ATOM 0 HG3 GLU A 23 7.338 0.668 -9.221 1.00 21.23 H new ATOM 347 N ILE A 24 6.247 2.741 -4.516 1.00 5.02 N ATOM 348 CA ILE A 24 5.433 3.773 -3.909 1.00 72.11 C ATOM 349 C ILE A 24 6.339 4.682 -3.066 1.00 13.03 C ATOM 350 O ILE A 24 6.187 5.905 -3.082 1.00 25.54 O ATOM 351 CB ILE A 24 4.250 3.169 -3.116 1.00 10.04 C ATOM 352 CG1 ILE A 24 3.489 2.142 -3.983 1.00 53.11 C ATOM 353 CG2 ILE A 24 3.297 4.278 -2.667 1.00 32.10 C ATOM 354 CD1 ILE A 24 2.152 1.657 -3.423 1.00 65.53 C ATOM 0 H ILE A 24 6.034 1.793 -4.205 1.00 5.02 H new ATOM 0 HA ILE A 24 4.968 4.387 -4.680 1.00 72.11 H new ATOM 0 HB ILE A 24 4.646 2.661 -2.236 1.00 10.04 H new ATOM 0 HG12 ILE A 24 3.312 2.584 -4.964 1.00 53.11 H new ATOM 0 HG13 ILE A 24 4.133 1.276 -4.135 1.00 53.11 H new ATOM 0 HG21 ILE A 24 2.468 3.842 -2.110 1.00 32.10 H new ATOM 0 HG22 ILE A 24 3.832 4.982 -2.030 1.00 32.10 H new ATOM 0 HG23 ILE A 24 2.911 4.802 -3.541 1.00 32.10 H new ATOM 0 HD11 ILE A 24 1.707 0.940 -4.113 1.00 65.53 H new ATOM 0 HD12 ILE A 24 2.314 1.178 -2.457 1.00 65.53 H new ATOM 0 HD13 ILE A 24 1.480 2.506 -3.299 1.00 65.53 H new ATOM 366 N TYR A 25 7.325 4.086 -2.395 1.00 64.42 N ATOM 367 CA TYR A 25 8.278 4.769 -1.539 1.00 53.01 C ATOM 368 C TYR A 25 9.420 5.421 -2.326 1.00 72.32 C ATOM 369 O TYR A 25 10.229 6.128 -1.723 1.00 32.20 O ATOM 370 CB TYR A 25 8.794 3.794 -0.469 1.00 70.43 C ATOM 371 CG TYR A 25 7.693 3.073 0.295 1.00 14.10 C ATOM 372 CD1 TYR A 25 6.654 3.810 0.892 1.00 74.13 C ATOM 373 CD2 TYR A 25 7.679 1.668 0.376 1.00 73.35 C ATOM 374 CE1 TYR A 25 5.584 3.157 1.528 1.00 24.34 C ATOM 375 CE2 TYR A 25 6.633 1.007 1.045 1.00 14.43 C ATOM 376 CZ TYR A 25 5.575 1.750 1.618 1.00 65.42 C ATOM 377 OH TYR A 25 4.551 1.122 2.258 1.00 51.41 O ATOM 0 H TYR A 25 7.482 3.079 -2.438 1.00 64.42 H new ATOM 0 HA TYR A 25 7.763 5.593 -1.045 1.00 53.01 H new ATOM 0 HB2 TYR A 25 9.436 3.053 -0.946 1.00 70.43 H new ATOM 0 HB3 TYR A 25 9.414 4.343 0.240 1.00 70.43 H new ATOM 0 HD1 TYR A 25 6.679 4.889 0.861 1.00 74.13 H new ATOM 0 HD2 TYR A 25 8.474 1.095 -0.077 1.00 73.35 H new ATOM 0 HE1 TYR A 25 4.771 3.732 1.947 1.00 24.34 H new ATOM 0 HE2 TYR A 25 6.638 -0.070 1.121 1.00 14.43 H new ATOM 0 HH TYR A 25 4.694 0.153 2.231 1.00 51.41 H new ATOM 387 N VAL A 26 9.496 5.251 -3.649 1.00 44.02 N ATOM 388 CA VAL A 26 10.500 5.917 -4.483 1.00 21.51 C ATOM 389 C VAL A 26 10.025 7.316 -4.892 1.00 34.52 C ATOM 390 O VAL A 26 10.787 8.275 -4.824 1.00 40.42 O ATOM 391 CB VAL A 26 10.840 5.038 -5.709 1.00 13.42 C ATOM 392 CG1 VAL A 26 11.964 5.653 -6.548 1.00 75.55 C ATOM 393 CG2 VAL A 26 11.314 3.647 -5.270 1.00 72.42 C ATOM 0 H VAL A 26 8.862 4.647 -4.172 1.00 44.02 H new ATOM 0 HA VAL A 26 11.415 6.047 -3.904 1.00 21.51 H new ATOM 0 HB VAL A 26 9.926 4.968 -6.299 1.00 13.42 H new ATOM 0 HG11 VAL A 26 12.176 5.008 -7.401 1.00 75.55 H new ATOM 0 HG12 VAL A 26 11.656 6.636 -6.904 1.00 75.55 H new ATOM 0 HG13 VAL A 26 12.861 5.753 -5.937 1.00 75.55 H new ATOM 0 HG21 VAL A 26 11.547 3.048 -6.150 1.00 72.42 H new ATOM 0 HG22 VAL A 26 12.206 3.745 -4.651 1.00 72.42 H new ATOM 0 HG23 VAL A 26 10.526 3.158 -4.696 1.00 72.42 H new ATOM 403 N ALA A 27 8.762 7.454 -5.310 1.00 72.53 N ATOM 404 CA ALA A 27 8.290 8.615 -6.068 1.00 24.54 C ATOM 405 C ALA A 27 8.072 9.856 -5.194 1.00 15.04 C ATOM 406 O ALA A 27 7.724 10.924 -5.697 1.00 32.52 O ATOM 407 CB ALA A 27 7.000 8.234 -6.803 1.00 1.01 C ATOM 0 H ALA A 27 8.036 6.760 -5.131 1.00 72.53 H new ATOM 0 HA ALA A 27 9.067 8.887 -6.782 1.00 24.54 H new ATOM 0 HB1 ALA A 27 6.638 9.091 -7.371 1.00 1.01 H new ATOM 0 HB2 ALA A 27 7.200 7.406 -7.483 1.00 1.01 H new ATOM 0 HB3 ALA A 27 6.243 7.934 -6.078 1.00 1.01 H new ATOM 413 N GLY A 28 8.241 9.726 -3.879 1.00 62.24 N ATOM 414 CA GLY A 28 8.005 10.768 -2.899 1.00 43.31 C ATOM 415 C GLY A 28 6.618 10.700 -2.274 1.00 13.41 C ATOM 416 O GLY A 28 6.400 11.331 -1.241 1.00 12.20 O ATOM 0 H GLY A 28 8.559 8.854 -3.457 1.00 62.24 H new ATOM 0 HA2 GLY A 28 8.755 10.694 -2.112 1.00 43.31 H new ATOM 0 HA3 GLY A 28 8.135 11.741 -3.374 1.00 43.31 H new ATOM 420 N LEU A 29 5.707 9.933 -2.886 1.00 32.52 N ATOM 421 CA LEU A 29 4.289 9.856 -2.543 1.00 43.04 C ATOM 422 C LEU A 29 4.103 9.544 -1.067 1.00 42.44 C ATOM 423 O LEU A 29 3.350 10.239 -0.385 1.00 11.41 O ATOM 424 CB LEU A 29 3.600 8.766 -3.376 1.00 2.43 C ATOM 425 CG LEU A 29 3.523 9.077 -4.882 1.00 2.31 C ATOM 426 CD1 LEU A 29 3.077 7.815 -5.620 1.00 43.03 C ATOM 427 CD2 LEU A 29 2.565 10.226 -5.221 1.00 61.42 C ATOM 0 H LEU A 29 5.953 9.325 -3.667 1.00 32.52 H new ATOM 0 HA LEU A 29 3.840 10.825 -2.761 1.00 43.04 H new ATOM 0 HB2 LEU A 29 4.134 7.826 -3.237 1.00 2.43 H new ATOM 0 HB3 LEU A 29 2.590 8.617 -2.995 1.00 2.43 H new ATOM 0 HG LEU A 29 4.517 9.396 -5.197 1.00 2.31 H new ATOM 0 HD11 LEU A 29 3.018 8.020 -6.689 1.00 43.03 H new ATOM 0 HD12 LEU A 29 3.797 7.016 -5.443 1.00 43.03 H new ATOM 0 HD13 LEU A 29 2.097 7.507 -5.255 1.00 43.03 H new ATOM 0 HD21 LEU A 29 2.561 10.390 -6.299 1.00 61.42 H new ATOM 0 HD22 LEU A 29 1.559 9.971 -4.889 1.00 61.42 H new ATOM 0 HD23 LEU A 29 2.894 11.135 -4.717 1.00 61.42 H new ATOM 439 N VAL A 30 4.768 8.488 -0.589 1.00 54.32 N ATOM 440 CA VAL A 30 4.865 8.235 0.848 1.00 63.25 C ATOM 441 C VAL A 30 6.280 7.825 1.261 1.00 50.11 C ATOM 442 O VAL A 30 7.060 7.337 0.438 1.00 2.04 O ATOM 443 CB VAL A 30 3.805 7.202 1.298 1.00 41.05 C ATOM 444 CG1 VAL A 30 2.413 7.825 1.338 1.00 33.30 C ATOM 445 CG2 VAL A 30 3.697 5.961 0.406 1.00 53.32 C ATOM 0 H VAL A 30 5.243 7.800 -1.173 1.00 54.32 H new ATOM 0 HA VAL A 30 4.652 9.171 1.365 1.00 63.25 H new ATOM 0 HB VAL A 30 4.152 6.892 2.284 1.00 41.05 H new ATOM 0 HG11 VAL A 30 1.688 7.076 1.657 1.00 33.30 H new ATOM 0 HG12 VAL A 30 2.407 8.658 2.041 1.00 33.30 H new ATOM 0 HG13 VAL A 30 2.147 8.186 0.345 1.00 33.30 H new ATOM 0 HG21 VAL A 30 2.929 5.295 0.800 1.00 53.32 H new ATOM 0 HG22 VAL A 30 3.430 6.263 -0.607 1.00 53.32 H new ATOM 0 HG23 VAL A 30 4.655 5.441 0.389 1.00 53.32 H new ATOM 455 N ALA A 31 6.594 7.966 2.553 1.00 63.12 N ATOM 456 CA ALA A 31 7.656 7.210 3.205 1.00 61.55 C ATOM 457 C ALA A 31 7.091 5.860 3.644 1.00 1.20 C ATOM 458 O ALA A 31 5.887 5.735 3.871 1.00 74.43 O ATOM 459 CB ALA A 31 8.171 7.962 4.437 1.00 30.42 C ATOM 0 H ALA A 31 6.112 8.614 3.176 1.00 63.12 H new ATOM 0 HA ALA A 31 8.482 7.074 2.507 1.00 61.55 H new ATOM 0 HB1 ALA A 31 8.963 7.383 4.912 1.00 30.42 H new ATOM 0 HB2 ALA A 31 8.563 8.933 4.133 1.00 30.42 H new ATOM 0 HB3 ALA A 31 7.354 8.106 5.144 1.00 30.42 H new ATOM 465 N HIS A 32 7.963 4.879 3.874 1.00 24.44 N ATOM 466 CA HIS A 32 7.555 3.569 4.376 1.00 10.11 C ATOM 467 C HIS A 32 6.859 3.665 5.740 1.00 30.20 C ATOM 468 O HIS A 32 5.958 2.872 6.005 1.00 34.33 O ATOM 469 CB HIS A 32 8.751 2.608 4.394 1.00 22.33 C ATOM 470 CG HIS A 32 9.909 3.080 5.236 1.00 25.22 C ATOM 471 ND1 HIS A 32 10.076 2.864 6.588 1.00 13.50 N ATOM 472 CD2 HIS A 32 10.995 3.785 4.788 1.00 61.43 C ATOM 473 CE1 HIS A 32 11.228 3.440 6.954 1.00 13.43 C ATOM 474 NE2 HIS A 32 11.827 4.009 5.890 1.00 33.20 N ATOM 0 H HIS A 32 8.967 4.970 3.718 1.00 24.44 H new ATOM 0 HA HIS A 32 6.812 3.160 3.692 1.00 10.11 H new ATOM 0 HB2 HIS A 32 8.418 1.638 4.764 1.00 22.33 H new ATOM 0 HB3 HIS A 32 9.097 2.457 3.372 1.00 22.33 H new ATOM 0 HD2 HIS A 32 11.175 4.108 3.773 1.00 61.43 H new ATOM 0 HE1 HIS A 32 11.621 3.447 7.960 1.00 13.43 H new ATOM 0 HE2 HIS A 32 12.717 4.508 5.888 1.00 33.20 H new ATOM 482 N SER A 33 7.226 4.639 6.582 1.00 42.32 N ATOM 483 CA SER A 33 6.615 4.834 7.895 1.00 73.12 C ATOM 484 C SER A 33 5.480 5.863 7.862 1.00 42.21 C ATOM 485 O SER A 33 4.892 6.118 8.911 1.00 33.04 O ATOM 486 CB SER A 33 7.683 5.208 8.940 1.00 44.54 C ATOM 487 OG SER A 33 7.556 4.397 10.101 1.00 30.02 O ATOM 0 H SER A 33 7.959 5.315 6.367 1.00 42.32 H new ATOM 0 HA SER A 33 6.165 3.886 8.188 1.00 73.12 H new ATOM 0 HB2 SER A 33 8.677 5.085 8.511 1.00 44.54 H new ATOM 0 HB3 SER A 33 7.581 6.259 9.211 1.00 44.54 H new ATOM 0 HG SER A 33 8.244 4.648 10.752 1.00 30.02 H new ATOM 493 N ASP A 34 5.118 6.443 6.708 1.00 25.14 N ATOM 494 CA ASP A 34 4.074 7.484 6.653 1.00 10.00 C ATOM 495 C ASP A 34 2.656 6.906 6.750 1.00 44.11 C ATOM 496 O ASP A 34 1.666 7.546 6.396 1.00 30.42 O ATOM 497 CB ASP A 34 4.230 8.362 5.392 1.00 30.23 C ATOM 498 CG ASP A 34 4.065 9.857 5.678 1.00 51.05 C ATOM 499 OD1 ASP A 34 3.986 10.274 6.854 1.00 21.34 O ATOM 500 OD2 ASP A 34 4.255 10.652 4.729 1.00 54.31 O ATOM 0 H ASP A 34 5.529 6.212 5.803 1.00 25.14 H new ATOM 0 HA ASP A 34 4.216 8.114 7.531 1.00 10.00 H new ATOM 0 HB2 ASP A 34 5.213 8.188 4.955 1.00 30.23 H new ATOM 0 HB3 ASP A 34 3.492 8.056 4.650 1.00 30.23 H new ATOM 505 N LEU A 35 2.571 5.649 7.173 1.00 30.51 N ATOM 506 CA LEU A 35 1.397 4.811 7.270 1.00 25.30 C ATOM 507 C LEU A 35 1.227 4.458 8.754 1.00 31.11 C ATOM 508 O LEU A 35 1.888 5.054 9.600 1.00 71.05 O ATOM 509 CB LEU A 35 1.557 3.593 6.346 1.00 14.43 C ATOM 510 CG LEU A 35 1.936 3.939 4.889 1.00 42.23 C ATOM 511 CD1 LEU A 35 2.075 2.650 4.078 1.00 45.34 C ATOM 512 CD2 LEU A 35 0.916 4.855 4.193 1.00 74.15 C ATOM 0 H LEU A 35 3.405 5.151 7.484 1.00 30.51 H new ATOM 0 HA LEU A 35 0.489 5.310 6.933 1.00 25.30 H new ATOM 0 HB2 LEU A 35 2.322 2.936 6.761 1.00 14.43 H new ATOM 0 HB3 LEU A 35 0.623 3.031 6.341 1.00 14.43 H new ATOM 0 HG LEU A 35 2.880 4.483 4.935 1.00 42.23 H new ATOM 0 HD11 LEU A 35 2.342 2.894 3.050 1.00 45.34 H new ATOM 0 HD12 LEU A 35 2.853 2.026 4.517 1.00 45.34 H new ATOM 0 HD13 LEU A 35 1.128 2.110 4.088 1.00 45.34 H new ATOM 0 HD21 LEU A 35 1.245 5.057 3.174 1.00 74.15 H new ATOM 0 HD22 LEU A 35 -0.057 4.364 4.170 1.00 74.15 H new ATOM 0 HD23 LEU A 35 0.836 5.794 4.741 1.00 74.15 H new ATOM 524 N ASP A 36 0.323 3.545 9.101 1.00 52.44 N ATOM 525 CA ASP A 36 0.093 3.113 10.486 1.00 33.30 C ATOM 526 C ASP A 36 0.055 1.590 10.490 1.00 32.01 C ATOM 527 O ASP A 36 -0.055 0.979 9.423 1.00 14.11 O ATOM 528 CB ASP A 36 -1.254 3.617 11.048 1.00 45.54 C ATOM 529 CG ASP A 36 -1.516 5.117 10.925 1.00 52.13 C ATOM 530 OD1 ASP A 36 -0.739 5.933 11.474 1.00 61.04 O ATOM 531 OD2 ASP A 36 -2.543 5.455 10.289 1.00 74.41 O ATOM 0 H ASP A 36 -0.279 3.076 8.424 1.00 52.44 H new ATOM 0 HA ASP A 36 0.891 3.521 11.107 1.00 33.30 H new ATOM 0 HB2 ASP A 36 -2.058 3.086 10.539 1.00 45.54 H new ATOM 0 HB3 ASP A 36 -1.309 3.345 12.102 1.00 45.54 H new ATOM 536 N GLU A 37 0.006 0.975 11.673 1.00 45.41 N ATOM 537 CA GLU A 37 -0.217 -0.459 11.831 1.00 3.53 C ATOM 538 C GLU A 37 -1.472 -0.900 11.078 1.00 53.41 C ATOM 539 O GLU A 37 -1.470 -1.949 10.446 1.00 24.21 O ATOM 540 CB GLU A 37 -0.336 -0.809 13.319 1.00 63.24 C ATOM 541 CG GLU A 37 -0.123 -2.310 13.574 1.00 11.13 C ATOM 542 CD GLU A 37 1.361 -2.621 13.689 1.00 1.34 C ATOM 543 OE1 GLU A 37 2.031 -2.794 12.638 1.00 34.00 O ATOM 544 OE2 GLU A 37 1.902 -2.519 14.807 1.00 2.21 O ATOM 0 H GLU A 37 0.122 1.468 12.559 1.00 45.41 H new ATOM 0 HA GLU A 37 0.635 -0.991 11.409 1.00 3.53 H new ATOM 0 HB2 GLU A 37 0.398 -0.237 13.886 1.00 63.24 H new ATOM 0 HB3 GLU A 37 -1.320 -0.515 13.683 1.00 63.24 H new ATOM 0 HG2 GLU A 37 -0.636 -2.607 14.489 1.00 11.13 H new ATOM 0 HG3 GLU A 37 -0.561 -2.890 12.761 1.00 11.13 H new ATOM 551 N ARG A 38 -2.520 -0.066 11.054 1.00 13.54 N ATOM 552 CA ARG A 38 -3.749 -0.346 10.315 1.00 31.44 C ATOM 553 C ARG A 38 -3.485 -0.645 8.838 1.00 3.02 C ATOM 554 O ARG A 38 -4.223 -1.432 8.253 1.00 42.34 O ATOM 555 CB ARG A 38 -4.750 0.813 10.472 1.00 30.12 C ATOM 556 CG ARG A 38 -5.191 0.994 11.931 1.00 30.54 C ATOM 557 CD ARG A 38 -6.417 1.908 12.068 1.00 32.12 C ATOM 558 NE ARG A 38 -7.072 1.685 13.366 1.00 33.30 N ATOM 559 CZ ARG A 38 -8.378 1.763 13.636 1.00 34.00 C ATOM 560 NH1 ARG A 38 -9.226 2.364 12.805 1.00 72.51 N ATOM 561 NH2 ARG A 38 -8.851 1.208 14.742 1.00 33.10 N ATOM 0 H ARG A 38 -2.535 0.825 11.550 1.00 13.54 H new ATOM 0 HA ARG A 38 -4.186 -1.247 10.745 1.00 31.44 H new ATOM 0 HB2 ARG A 38 -4.296 1.736 10.113 1.00 30.12 H new ATOM 0 HB3 ARG A 38 -5.624 0.625 9.849 1.00 30.12 H new ATOM 0 HG2 ARG A 38 -5.419 0.019 12.361 1.00 30.54 H new ATOM 0 HG3 ARG A 38 -4.365 1.411 12.507 1.00 30.54 H new ATOM 0 HD2 ARG A 38 -6.114 2.951 11.979 1.00 32.12 H new ATOM 0 HD3 ARG A 38 -7.120 1.710 11.259 1.00 32.12 H new ATOM 0 HE ARG A 38 -6.461 1.444 14.147 1.00 33.30 H new ATOM 0 HH11 ARG A 38 -8.883 2.779 11.938 1.00 72.51 H new ATOM 0 HH12 ARG A 38 -10.219 2.410 13.035 1.00 72.51 H new ATOM 0 HH21 ARG A 38 -8.219 0.725 15.381 1.00 33.10 H new ATOM 0 HH22 ARG A 38 -9.847 1.264 14.955 1.00 33.10 H new ATOM 575 N ALA A 39 -2.457 -0.035 8.242 1.00 61.33 N ATOM 576 CA ALA A 39 -2.059 -0.289 6.866 1.00 31.54 C ATOM 577 C ALA A 39 -1.280 -1.600 6.755 1.00 51.35 C ATOM 578 O ALA A 39 -1.549 -2.388 5.850 1.00 34.13 O ATOM 579 CB ALA A 39 -1.206 0.869 6.349 1.00 21.13 C ATOM 0 H ALA A 39 -1.874 0.657 8.713 1.00 61.33 H new ATOM 0 HA ALA A 39 -2.960 -0.374 6.259 1.00 31.54 H new ATOM 0 HB1 ALA A 39 -0.912 0.672 5.318 1.00 21.13 H new ATOM 0 HB2 ALA A 39 -1.783 1.793 6.391 1.00 21.13 H new ATOM 0 HB3 ALA A 39 -0.315 0.969 6.968 1.00 21.13 H new ATOM 585 N ILE A 40 -0.315 -1.827 7.654 1.00 73.55 N ATOM 586 CA ILE A 40 0.483 -3.053 7.701 1.00 62.43 C ATOM 587 C ILE A 40 -0.479 -4.239 7.799 1.00 54.23 C ATOM 588 O ILE A 40 -0.423 -5.167 6.991 1.00 54.43 O ATOM 589 CB ILE A 40 1.473 -3.007 8.899 1.00 73.11 C ATOM 590 CG1 ILE A 40 2.381 -1.755 8.901 1.00 5.14 C ATOM 591 CG2 ILE A 40 2.344 -4.273 9.025 1.00 73.15 C ATOM 592 CD1 ILE A 40 3.103 -1.428 7.588 1.00 74.55 C ATOM 0 H ILE A 40 -0.065 -1.154 8.378 1.00 73.55 H new ATOM 0 HA ILE A 40 1.087 -3.157 6.799 1.00 62.43 H new ATOM 0 HB ILE A 40 0.820 -2.955 9.770 1.00 73.11 H new ATOM 0 HG12 ILE A 40 1.773 -0.894 9.179 1.00 5.14 H new ATOM 0 HG13 ILE A 40 3.132 -1.880 9.681 1.00 5.14 H new ATOM 0 HG21 ILE A 40 3.011 -4.172 9.881 1.00 73.15 H new ATOM 0 HG22 ILE A 40 1.703 -5.143 9.165 1.00 73.15 H new ATOM 0 HG23 ILE A 40 2.935 -4.400 8.118 1.00 73.15 H new ATOM 0 HD11 ILE A 40 3.707 -0.530 7.719 1.00 74.55 H new ATOM 0 HD12 ILE A 40 3.748 -2.262 7.310 1.00 74.55 H new ATOM 0 HD13 ILE A 40 2.368 -1.260 6.801 1.00 74.55 H new ATOM 604 N GLU A 41 -1.376 -4.195 8.776 1.00 24.20 N ATOM 605 CA GLU A 41 -2.308 -5.251 9.096 1.00 53.05 C ATOM 606 C GLU A 41 -3.235 -5.519 7.910 1.00 14.04 C ATOM 607 O GLU A 41 -3.449 -6.678 7.542 1.00 45.01 O ATOM 608 CB GLU A 41 -3.085 -4.806 10.349 1.00 74.51 C ATOM 609 CG GLU A 41 -3.865 -5.941 11.014 1.00 53.25 C ATOM 610 CD GLU A 41 -2.919 -6.849 11.804 1.00 70.32 C ATOM 611 OE1 GLU A 41 -2.135 -7.605 11.181 1.00 11.44 O ATOM 612 OE2 GLU A 41 -2.964 -6.829 13.050 1.00 41.42 O ATOM 0 H GLU A 41 -1.472 -3.385 9.389 1.00 24.20 H new ATOM 0 HA GLU A 41 -1.791 -6.189 9.300 1.00 53.05 H new ATOM 0 HB2 GLU A 41 -2.385 -4.384 11.071 1.00 74.51 H new ATOM 0 HB3 GLU A 41 -3.778 -4.011 10.074 1.00 74.51 H new ATOM 0 HG2 GLU A 41 -4.623 -5.528 11.680 1.00 53.25 H new ATOM 0 HG3 GLU A 41 -4.389 -6.523 10.256 1.00 53.25 H new ATOM 619 N ALA A 42 -3.760 -4.453 7.296 1.00 34.14 N ATOM 620 CA ALA A 42 -4.626 -4.549 6.135 1.00 74.55 C ATOM 621 C ALA A 42 -3.897 -5.138 4.926 1.00 71.31 C ATOM 622 O ALA A 42 -4.518 -5.895 4.182 1.00 30.40 O ATOM 623 CB ALA A 42 -5.196 -3.171 5.801 1.00 12.04 C ATOM 0 H ALA A 42 -3.589 -3.495 7.600 1.00 34.14 H new ATOM 0 HA ALA A 42 -5.443 -5.229 6.379 1.00 74.55 H new ATOM 0 HB1 ALA A 42 -5.845 -3.248 4.929 1.00 12.04 H new ATOM 0 HB2 ALA A 42 -5.770 -2.799 6.650 1.00 12.04 H new ATOM 0 HB3 ALA A 42 -4.379 -2.482 5.586 1.00 12.04 H new ATOM 629 N LEU A 43 -2.613 -4.829 4.724 1.00 41.15 N ATOM 630 CA LEU A 43 -1.818 -5.385 3.630 1.00 53.15 C ATOM 631 C LEU A 43 -1.751 -6.908 3.704 1.00 65.31 C ATOM 632 O LEU A 43 -1.797 -7.568 2.663 1.00 65.11 O ATOM 633 CB LEU A 43 -0.394 -4.786 3.623 1.00 73.23 C ATOM 634 CG LEU A 43 -0.228 -3.672 2.581 1.00 62.53 C ATOM 635 CD1 LEU A 43 1.047 -2.863 2.847 1.00 10.00 C ATOM 636 CD2 LEU A 43 -0.187 -4.215 1.144 1.00 2.12 C ATOM 0 H LEU A 43 -2.095 -4.183 5.319 1.00 41.15 H new ATOM 0 HA LEU A 43 -2.314 -5.115 2.698 1.00 53.15 H new ATOM 0 HB2 LEU A 43 -0.165 -4.390 4.612 1.00 73.23 H new ATOM 0 HB3 LEU A 43 0.328 -5.577 3.422 1.00 73.23 H new ATOM 0 HG LEU A 43 -1.103 -3.029 2.677 1.00 62.53 H new ATOM 0 HD11 LEU A 43 1.144 -2.079 2.096 1.00 10.00 H new ATOM 0 HD12 LEU A 43 0.991 -2.412 3.838 1.00 10.00 H new ATOM 0 HD13 LEU A 43 1.913 -3.522 2.797 1.00 10.00 H new ATOM 0 HD21 LEU A 43 -0.068 -3.387 0.445 1.00 2.12 H new ATOM 0 HD22 LEU A 43 0.653 -4.902 1.038 1.00 2.12 H new ATOM 0 HD23 LEU A 43 -1.116 -4.742 0.928 1.00 2.12 H new ATOM 648 N LYS A 44 -1.636 -7.478 4.912 1.00 54.02 N ATOM 649 CA LYS A 44 -1.590 -8.930 5.084 1.00 65.25 C ATOM 650 C LYS A 44 -2.892 -9.562 4.561 1.00 63.55 C ATOM 651 O LYS A 44 -2.846 -10.543 3.826 1.00 30.31 O ATOM 652 CB LYS A 44 -1.380 -9.318 6.560 1.00 44.41 C ATOM 653 CG LYS A 44 -0.215 -8.677 7.341 1.00 54.35 C ATOM 654 CD LYS A 44 1.193 -8.931 6.774 1.00 50.32 C ATOM 655 CE LYS A 44 2.267 -8.851 7.860 1.00 53.22 C ATOM 656 NZ LYS A 44 2.599 -10.177 8.408 1.00 41.55 N ATOM 0 H LYS A 44 -1.573 -6.951 5.783 1.00 54.02 H new ATOM 0 HA LYS A 44 -0.743 -9.307 4.512 1.00 65.25 H new ATOM 0 HB2 LYS A 44 -2.301 -9.088 7.095 1.00 44.41 H new ATOM 0 HB3 LYS A 44 -1.249 -10.399 6.601 1.00 44.41 H new ATOM 0 HG2 LYS A 44 -0.380 -7.600 7.383 1.00 54.35 H new ATOM 0 HG3 LYS A 44 -0.245 -9.045 8.367 1.00 54.35 H new ATOM 0 HD2 LYS A 44 1.224 -9.914 6.305 1.00 50.32 H new ATOM 0 HD3 LYS A 44 1.409 -8.199 5.995 1.00 50.32 H new ATOM 0 HE2 LYS A 44 3.166 -8.394 7.447 1.00 53.22 H new ATOM 0 HE3 LYS A 44 1.921 -8.203 8.665 1.00 53.22 H new ATOM 0 HZ1 LYS A 44 3.171 -10.063 9.269 1.00 41.55 H new ATOM 0 HZ2 LYS A 44 1.722 -10.686 8.640 1.00 41.55 H new ATOM 0 HZ3 LYS A 44 3.138 -10.719 7.703 1.00 41.55 H new ATOM 670 N GLU A 45 -4.040 -8.978 4.899 1.00 10.41 N ATOM 671 CA GLU A 45 -5.407 -9.501 4.792 1.00 52.04 C ATOM 672 C GLU A 45 -5.961 -9.661 3.365 1.00 73.14 C ATOM 673 O GLU A 45 -7.170 -9.864 3.204 1.00 42.13 O ATOM 674 CB GLU A 45 -6.317 -8.580 5.610 1.00 1.14 C ATOM 675 CG GLU A 45 -6.166 -8.881 7.105 1.00 32.41 C ATOM 676 CD GLU A 45 -6.748 -10.230 7.537 1.00 23.34 C ATOM 677 OE1 GLU A 45 -7.720 -10.676 6.896 1.00 50.43 O ATOM 678 OE2 GLU A 45 -6.296 -10.805 8.560 1.00 3.33 O ATOM 0 H GLU A 45 -4.040 -8.037 5.292 1.00 10.41 H new ATOM 0 HA GLU A 45 -5.380 -10.521 5.175 1.00 52.04 H new ATOM 0 HB2 GLU A 45 -6.064 -7.538 5.414 1.00 1.14 H new ATOM 0 HB3 GLU A 45 -7.355 -8.718 5.306 1.00 1.14 H new ATOM 0 HG2 GLU A 45 -5.108 -8.855 7.364 1.00 32.41 H new ATOM 0 HG3 GLU A 45 -6.653 -8.089 7.674 1.00 32.41 H new ATOM 685 N PHE A 46 -5.132 -9.561 2.326 1.00 62.14 N ATOM 686 CA PHE A 46 -5.538 -9.606 0.934 1.00 1.04 C ATOM 687 C PHE A 46 -4.885 -10.797 0.252 1.00 23.51 C ATOM 688 O PHE A 46 -3.794 -11.225 0.638 1.00 53.02 O ATOM 689 CB PHE A 46 -5.083 -8.316 0.236 1.00 22.30 C ATOM 690 CG PHE A 46 -5.843 -7.066 0.618 1.00 52.25 C ATOM 691 CD1 PHE A 46 -7.240 -7.033 0.474 1.00 45.02 C ATOM 692 CD2 PHE A 46 -5.166 -5.912 1.053 1.00 23.33 C ATOM 693 CE1 PHE A 46 -7.955 -5.864 0.762 1.00 34.53 C ATOM 694 CE2 PHE A 46 -5.880 -4.734 1.339 1.00 24.42 C ATOM 695 CZ PHE A 46 -7.278 -4.715 1.190 1.00 21.20 C ATOM 0 H PHE A 46 -4.126 -9.442 2.442 1.00 62.14 H new ATOM 0 HA PHE A 46 -6.622 -9.700 0.873 1.00 1.04 H new ATOM 0 HB2 PHE A 46 -4.027 -8.159 0.454 1.00 22.30 H new ATOM 0 HB3 PHE A 46 -5.168 -8.457 -0.841 1.00 22.30 H new ATOM 0 HD1 PHE A 46 -7.766 -7.915 0.139 1.00 45.02 H new ATOM 0 HD2 PHE A 46 -4.092 -5.931 1.168 1.00 23.33 H new ATOM 0 HE1 PHE A 46 -9.029 -5.848 0.654 1.00 34.53 H new ATOM 0 HE2 PHE A 46 -5.357 -3.849 1.671 1.00 24.42 H new ATOM 0 HZ PHE A 46 -7.831 -3.813 1.406 1.00 21.20 H new ATOM 705 N ASN A 47 -5.511 -11.298 -0.807 1.00 10.13 N ATOM 706 CA ASN A 47 -4.869 -12.050 -1.855 1.00 3.44 C ATOM 707 C ASN A 47 -3.741 -11.272 -2.509 1.00 62.41 C ATOM 708 O ASN A 47 -3.550 -10.079 -2.305 1.00 24.54 O ATOM 709 CB ASN A 47 -5.892 -12.349 -2.954 1.00 24.43 C ATOM 710 CG ASN A 47 -6.303 -13.781 -2.918 1.00 63.10 C ATOM 711 OD1 ASN A 47 -6.873 -14.281 -1.958 1.00 2.32 O ATOM 712 ND2 ASN A 47 -6.003 -14.524 -3.958 1.00 62.44 N ATOM 0 H ASN A 47 -6.513 -11.182 -0.955 1.00 10.13 H new ATOM 0 HA ASN A 47 -4.469 -12.956 -1.400 1.00 3.44 H new ATOM 0 HB2 ASN A 47 -6.767 -11.711 -2.826 1.00 24.43 H new ATOM 0 HB3 ASN A 47 -5.465 -12.113 -3.929 1.00 24.43 H new ATOM 0 HD21 ASN A 47 -6.245 -15.515 -3.964 1.00 62.44 H new ATOM 0 HD22 ASN A 47 -5.528 -14.110 -4.760 1.00 62.44 H new ATOM 719 N GLU A 48 -3.100 -11.973 -3.428 1.00 70.22 N ATOM 720 CA GLU A 48 -2.199 -11.494 -4.430 1.00 42.22 C ATOM 721 C GLU A 48 -2.846 -10.348 -5.226 1.00 13.24 C ATOM 722 O GLU A 48 -2.363 -9.223 -5.156 1.00 14.20 O ATOM 723 CB GLU A 48 -1.881 -12.727 -5.282 1.00 14.33 C ATOM 724 CG GLU A 48 -0.598 -12.555 -6.072 1.00 51.15 C ATOM 725 CD GLU A 48 -0.389 -13.655 -7.128 1.00 22.44 C ATOM 726 OE1 GLU A 48 -1.400 -14.240 -7.591 1.00 63.13 O ATOM 727 OE2 GLU A 48 0.761 -13.938 -7.546 1.00 44.02 O ATOM 0 H GLU A 48 -3.217 -12.985 -3.486 1.00 70.22 H new ATOM 0 HA GLU A 48 -1.283 -11.065 -4.025 1.00 42.22 H new ATOM 0 HB2 GLU A 48 -1.795 -13.601 -4.637 1.00 14.33 H new ATOM 0 HB3 GLU A 48 -2.707 -12.917 -5.968 1.00 14.33 H new ATOM 0 HG2 GLU A 48 -0.609 -11.583 -6.565 1.00 51.15 H new ATOM 0 HG3 GLU A 48 0.248 -12.554 -5.385 1.00 51.15 H new ATOM 734 N ASP A 49 -3.920 -10.603 -5.995 1.00 12.44 N ATOM 735 CA ASP A 49 -4.485 -9.554 -6.862 1.00 25.54 C ATOM 736 C ASP A 49 -5.217 -8.486 -6.061 1.00 22.13 C ATOM 737 O ASP A 49 -5.173 -7.306 -6.403 1.00 1.02 O ATOM 738 CB ASP A 49 -5.410 -10.106 -7.954 1.00 33.54 C ATOM 739 CG ASP A 49 -5.182 -9.299 -9.223 1.00 44.13 C ATOM 740 OD1 ASP A 49 -4.177 -9.619 -9.914 1.00 50.45 O ATOM 741 OD2 ASP A 49 -5.880 -8.309 -9.495 1.00 45.33 O ATOM 0 H ASP A 49 -4.403 -11.501 -6.035 1.00 12.44 H new ATOM 0 HA ASP A 49 -3.626 -9.100 -7.356 1.00 25.54 H new ATOM 0 HB2 ASP A 49 -5.201 -11.161 -8.132 1.00 33.54 H new ATOM 0 HB3 ASP A 49 -6.452 -10.036 -7.641 1.00 33.54 H new ATOM 746 N GLY A 50 -5.836 -8.888 -4.951 1.00 53.25 N ATOM 747 CA GLY A 50 -6.377 -7.993 -3.946 1.00 5.04 C ATOM 748 C GLY A 50 -5.344 -6.951 -3.528 1.00 53.04 C ATOM 749 O GLY A 50 -5.602 -5.742 -3.607 1.00 2.14 O ATOM 0 H GLY A 50 -5.975 -9.873 -4.726 1.00 53.25 H new ATOM 0 HA2 GLY A 50 -7.264 -7.494 -4.338 1.00 5.04 H new ATOM 0 HA3 GLY A 50 -6.693 -8.567 -3.075 1.00 5.04 H new ATOM 753 N ALA A 51 -4.185 -7.415 -3.052 1.00 54.25 N ATOM 754 CA ALA A 51 -3.127 -6.542 -2.586 1.00 63.33 C ATOM 755 C ALA A 51 -2.637 -5.620 -3.701 1.00 74.42 C ATOM 756 O ALA A 51 -2.397 -4.442 -3.431 1.00 14.42 O ATOM 757 CB ALA A 51 -1.973 -7.360 -1.994 1.00 12.33 C ATOM 0 H ALA A 51 -3.963 -8.408 -2.983 1.00 54.25 H new ATOM 0 HA ALA A 51 -3.534 -5.910 -1.796 1.00 63.33 H new ATOM 0 HB1 ALA A 51 -1.188 -6.686 -1.650 1.00 12.33 H new ATOM 0 HB2 ALA A 51 -2.339 -7.950 -1.154 1.00 12.33 H new ATOM 0 HB3 ALA A 51 -1.570 -8.026 -2.757 1.00 12.33 H new ATOM 763 N LEU A 52 -2.450 -6.117 -4.927 1.00 32.51 N ATOM 764 CA LEU A 52 -1.966 -5.310 -6.047 1.00 4.32 C ATOM 765 C LEU A 52 -2.963 -4.211 -6.390 1.00 1.13 C ATOM 766 O LEU A 52 -2.544 -3.059 -6.453 1.00 11.20 O ATOM 767 CB LEU A 52 -1.647 -6.171 -7.284 1.00 71.54 C ATOM 768 CG LEU A 52 -0.198 -6.679 -7.408 1.00 25.43 C ATOM 769 CD1 LEU A 52 0.833 -5.552 -7.414 1.00 50.21 C ATOM 770 CD2 LEU A 52 0.198 -7.725 -6.363 1.00 42.21 C ATOM 0 H LEU A 52 -2.631 -7.091 -5.170 1.00 32.51 H new ATOM 0 HA LEU A 52 -1.033 -4.844 -5.732 1.00 4.32 H new ATOM 0 HB2 LEU A 52 -2.313 -7.034 -7.281 1.00 71.54 H new ATOM 0 HB3 LEU A 52 -1.883 -5.590 -8.175 1.00 71.54 H new ATOM 0 HG LEU A 52 -0.189 -7.171 -8.381 1.00 25.43 H new ATOM 0 HD11 LEU A 52 1.834 -5.975 -7.504 1.00 50.21 H new ATOM 0 HD12 LEU A 52 0.642 -4.889 -8.258 1.00 50.21 H new ATOM 0 HD13 LEU A 52 0.760 -4.987 -6.485 1.00 50.21 H new ATOM 0 HD21 LEU A 52 1.233 -8.027 -6.524 1.00 42.21 H new ATOM 0 HD22 LEU A 52 0.096 -7.299 -5.365 1.00 42.21 H new ATOM 0 HD23 LEU A 52 -0.452 -8.595 -6.455 1.00 42.21 H new ATOM 782 N ALA A 53 -4.250 -4.519 -6.567 1.00 61.14 N ATOM 783 CA ALA A 53 -5.249 -3.533 -6.980 1.00 10.42 C ATOM 784 C ALA A 53 -5.240 -2.305 -6.063 1.00 41.35 C ATOM 785 O ALA A 53 -5.176 -1.169 -6.533 1.00 22.33 O ATOM 786 CB ALA A 53 -6.625 -4.199 -7.027 1.00 45.03 C ATOM 0 H ALA A 53 -4.627 -5.456 -6.428 1.00 61.14 H new ATOM 0 HA ALA A 53 -5.001 -3.171 -7.978 1.00 10.42 H new ATOM 0 HB1 ALA A 53 -7.373 -3.468 -7.334 1.00 45.03 H new ATOM 0 HB2 ALA A 53 -6.607 -5.022 -7.742 1.00 45.03 H new ATOM 0 HB3 ALA A 53 -6.877 -4.583 -6.038 1.00 45.03 H new ATOM 792 N VAL A 54 -5.205 -2.540 -4.750 1.00 61.15 N ATOM 793 CA VAL A 54 -5.101 -1.504 -3.727 1.00 1.41 C ATOM 794 C VAL A 54 -3.901 -0.589 -3.974 1.00 74.31 C ATOM 795 O VAL A 54 -4.003 0.620 -3.788 1.00 73.52 O ATOM 796 CB VAL A 54 -4.989 -2.193 -2.356 1.00 14.14 C ATOM 797 CG1 VAL A 54 -4.619 -1.263 -1.200 1.00 23.32 C ATOM 798 CG2 VAL A 54 -6.309 -2.865 -1.978 1.00 11.44 C ATOM 0 H VAL A 54 -5.250 -3.482 -4.361 1.00 61.15 H new ATOM 0 HA VAL A 54 -5.989 -0.873 -3.759 1.00 1.41 H new ATOM 0 HB VAL A 54 -4.180 -2.911 -2.487 1.00 14.14 H new ATOM 0 HG11 VAL A 54 -4.563 -1.837 -0.275 1.00 23.32 H new ATOM 0 HG12 VAL A 54 -3.652 -0.802 -1.400 1.00 23.32 H new ATOM 0 HG13 VAL A 54 -5.378 -0.487 -1.100 1.00 23.32 H new ATOM 0 HG21 VAL A 54 -6.207 -3.346 -1.005 1.00 11.44 H new ATOM 0 HG22 VAL A 54 -7.099 -2.115 -1.931 1.00 11.44 H new ATOM 0 HG23 VAL A 54 -6.564 -3.614 -2.728 1.00 11.44 H new ATOM 808 N LEU A 55 -2.750 -1.156 -4.332 1.00 24.54 N ATOM 809 CA LEU A 55 -1.514 -0.403 -4.503 1.00 43.12 C ATOM 810 C LEU A 55 -1.589 0.438 -5.764 1.00 3.43 C ATOM 811 O LEU A 55 -1.178 1.596 -5.760 1.00 50.45 O ATOM 812 CB LEU A 55 -0.302 -1.346 -4.590 1.00 71.44 C ATOM 813 CG LEU A 55 0.100 -2.042 -3.280 1.00 10.44 C ATOM 814 CD1 LEU A 55 1.564 -2.482 -3.393 1.00 70.53 C ATOM 815 CD2 LEU A 55 -0.081 -1.205 -2.003 1.00 63.43 C ATOM 0 H LEU A 55 -2.651 -2.155 -4.512 1.00 24.54 H new ATOM 0 HA LEU A 55 -1.391 0.245 -3.636 1.00 43.12 H new ATOM 0 HB2 LEU A 55 -0.514 -2.112 -5.336 1.00 71.44 H new ATOM 0 HB3 LEU A 55 0.553 -0.776 -4.953 1.00 71.44 H new ATOM 0 HG LEU A 55 -0.583 -2.884 -3.167 1.00 10.44 H new ATOM 0 HD11 LEU A 55 1.867 -2.978 -2.471 1.00 70.53 H new ATOM 0 HD12 LEU A 55 1.673 -3.172 -4.230 1.00 70.53 H new ATOM 0 HD13 LEU A 55 2.195 -1.609 -3.559 1.00 70.53 H new ATOM 0 HD21 LEU A 55 0.232 -1.789 -1.138 1.00 63.43 H new ATOM 0 HD22 LEU A 55 0.527 -0.303 -2.070 1.00 63.43 H new ATOM 0 HD23 LEU A 55 -1.130 -0.929 -1.895 1.00 63.43 H new ATOM 827 N GLN A 56 -2.111 -0.138 -6.838 1.00 30.51 N ATOM 828 CA GLN A 56 -2.134 0.508 -8.133 1.00 15.21 C ATOM 829 C GLN A 56 -3.130 1.655 -8.147 1.00 41.41 C ATOM 830 O GLN A 56 -2.810 2.745 -8.618 1.00 44.42 O ATOM 831 CB GLN A 56 -2.423 -0.560 -9.185 1.00 75.13 C ATOM 832 CG GLN A 56 -1.253 -1.547 -9.191 1.00 0.30 C ATOM 833 CD GLN A 56 -1.045 -2.164 -10.561 1.00 60.35 C ATOM 834 OE1 GLN A 56 -0.059 -1.891 -11.240 1.00 0.32 O ATOM 835 NE2 GLN A 56 -1.974 -2.994 -11.013 1.00 73.23 N ATOM 0 H GLN A 56 -2.530 -1.068 -6.831 1.00 30.51 H new ATOM 0 HA GLN A 56 -1.170 0.962 -8.361 1.00 15.21 H new ATOM 0 HB2 GLN A 56 -3.356 -1.076 -8.958 1.00 75.13 H new ATOM 0 HB3 GLN A 56 -2.542 -0.104 -10.168 1.00 75.13 H new ATOM 0 HG2 GLN A 56 -0.343 -1.034 -8.881 1.00 0.30 H new ATOM 0 HG3 GLN A 56 -1.438 -2.335 -8.461 1.00 0.30 H new ATOM 0 HE21 GLN A 56 -2.788 -3.211 -10.437 1.00 73.23 H new ATOM 0 HE22 GLN A 56 -1.875 -3.416 -11.937 1.00 73.23 H new ATOM 844 N GLN A 57 -4.301 1.467 -7.537 1.00 62.12 N ATOM 845 CA GLN A 57 -5.243 2.568 -7.395 1.00 61.42 C ATOM 846 C GLN A 57 -4.721 3.619 -6.409 1.00 13.42 C ATOM 847 O GLN A 57 -5.202 4.753 -6.404 1.00 31.30 O ATOM 848 CB GLN A 57 -6.590 2.012 -6.943 1.00 42.04 C ATOM 849 CG GLN A 57 -7.752 2.929 -7.342 1.00 13.13 C ATOM 850 CD GLN A 57 -9.076 2.223 -7.106 1.00 32.14 C ATOM 851 OE1 GLN A 57 -9.619 1.605 -8.017 1.00 62.41 O ATOM 852 NE2 GLN A 57 -9.583 2.276 -5.887 1.00 24.50 N ATOM 0 H GLN A 57 -4.612 0.580 -7.142 1.00 62.12 H new ATOM 0 HA GLN A 57 -5.363 3.065 -8.358 1.00 61.42 H new ATOM 0 HB2 GLN A 57 -6.740 1.025 -7.380 1.00 42.04 H new ATOM 0 HB3 GLN A 57 -6.585 1.883 -5.861 1.00 42.04 H new ATOM 0 HG2 GLN A 57 -7.714 3.851 -6.762 1.00 13.13 H new ATOM 0 HG3 GLN A 57 -7.662 3.208 -8.392 1.00 13.13 H new ATOM 0 HE21 GLN A 57 -9.101 2.800 -5.157 1.00 24.50 H new ATOM 0 HE22 GLN A 57 -10.456 1.792 -5.676 1.00 24.50 H new ATOM 861 N PHE A 58 -3.739 3.252 -5.579 1.00 10.10 N ATOM 862 CA PHE A 58 -3.172 4.165 -4.589 1.00 22.44 C ATOM 863 C PHE A 58 -2.077 5.020 -5.222 1.00 3.13 C ATOM 864 O PHE A 58 -2.012 6.218 -4.949 1.00 20.44 O ATOM 865 CB PHE A 58 -2.683 3.388 -3.355 1.00 42.22 C ATOM 866 CG PHE A 58 -1.912 4.179 -2.315 1.00 4.21 C ATOM 867 CD1 PHE A 58 -2.395 5.412 -1.840 1.00 45.42 C ATOM 868 CD2 PHE A 58 -0.723 3.651 -1.774 1.00 42.45 C ATOM 869 CE1 PHE A 58 -1.674 6.121 -0.864 1.00 13.40 C ATOM 870 CE2 PHE A 58 -0.001 4.370 -0.806 1.00 70.53 C ATOM 871 CZ PHE A 58 -0.462 5.617 -0.370 1.00 54.31 C ATOM 0 H PHE A 58 -3.320 2.322 -5.576 1.00 10.10 H new ATOM 0 HA PHE A 58 -3.947 4.848 -4.242 1.00 22.44 H new ATOM 0 HB2 PHE A 58 -3.550 2.941 -2.869 1.00 42.22 H new ATOM 0 HB3 PHE A 58 -2.051 2.568 -3.697 1.00 42.22 H new ATOM 0 HD1 PHE A 58 -3.320 5.814 -2.226 1.00 45.42 H new ATOM 0 HD2 PHE A 58 -0.364 2.688 -2.105 1.00 42.45 H new ATOM 0 HE1 PHE A 58 -2.056 7.060 -0.492 1.00 13.40 H new ATOM 0 HE2 PHE A 58 0.911 3.959 -0.398 1.00 70.53 H new ATOM 0 HZ PHE A 58 0.113 6.189 0.344 1.00 54.31 H new ATOM 881 N LYS A 59 -1.217 4.445 -6.067 1.00 75.42 N ATOM 882 CA LYS A 59 -0.248 5.215 -6.842 1.00 11.32 C ATOM 883 C LYS A 59 -0.937 6.031 -7.948 1.00 74.32 C ATOM 884 O LYS A 59 -0.390 7.047 -8.365 1.00 61.52 O ATOM 885 CB LYS A 59 0.884 4.290 -7.320 1.00 24.53 C ATOM 886 CG LYS A 59 1.944 5.074 -8.107 1.00 75.45 C ATOM 887 CD LYS A 59 3.282 4.353 -8.314 1.00 52.21 C ATOM 888 CE LYS A 59 4.309 4.679 -7.212 1.00 60.15 C ATOM 889 NZ LYS A 59 5.635 4.993 -7.792 1.00 63.44 N ATOM 0 H LYS A 59 -1.175 3.439 -6.231 1.00 75.42 H new ATOM 0 HA LYS A 59 0.225 5.969 -6.213 1.00 11.32 H new ATOM 0 HB2 LYS A 59 1.349 3.805 -6.461 1.00 24.53 H new ATOM 0 HB3 LYS A 59 0.472 3.500 -7.947 1.00 24.53 H new ATOM 0 HG2 LYS A 59 1.532 5.326 -9.084 1.00 75.45 H new ATOM 0 HG3 LYS A 59 2.134 6.014 -7.589 1.00 75.45 H new ATOM 0 HD2 LYS A 59 3.110 3.277 -8.338 1.00 52.21 H new ATOM 0 HD3 LYS A 59 3.694 4.632 -9.284 1.00 52.21 H new ATOM 0 HE2 LYS A 59 3.957 5.526 -6.622 1.00 60.15 H new ATOM 0 HE3 LYS A 59 4.398 3.832 -6.532 1.00 60.15 H new ATOM 0 HZ1 LYS A 59 6.382 4.654 -7.153 1.00 63.44 H new ATOM 0 HZ2 LYS A 59 5.730 4.524 -8.715 1.00 63.44 H new ATOM 0 HZ3 LYS A 59 5.725 6.022 -7.915 1.00 63.44 H new ATOM 903 N ASP A 60 -2.161 5.679 -8.352 1.00 33.21 N ATOM 904 CA ASP A 60 -3.038 6.489 -9.206 1.00 3.03 C ATOM 905 C ASP A 60 -3.647 7.644 -8.382 1.00 22.10 C ATOM 906 O ASP A 60 -4.864 7.836 -8.385 1.00 14.14 O ATOM 907 CB ASP A 60 -4.154 5.606 -9.832 1.00 34.51 C ATOM 908 CG ASP A 60 -3.766 4.806 -11.073 1.00 35.44 C ATOM 909 OD1 ASP A 60 -2.718 5.084 -11.687 1.00 71.34 O ATOM 910 OD2 ASP A 60 -4.569 3.956 -11.539 1.00 31.24 O ATOM 0 H ASP A 60 -2.585 4.791 -8.084 1.00 33.21 H new ATOM 0 HA ASP A 60 -2.450 6.913 -10.020 1.00 3.03 H new ATOM 0 HB2 ASP A 60 -4.506 4.909 -9.072 1.00 34.51 H new ATOM 0 HB3 ASP A 60 -4.996 6.249 -10.089 1.00 34.51 H new ATOM 915 N SER A 61 -2.860 8.402 -7.611 1.00 11.23 N ATOM 916 CA SER A 61 -3.346 9.562 -6.853 1.00 31.13 C ATOM 917 C SER A 61 -2.270 10.643 -6.684 1.00 71.52 C ATOM 918 O SER A 61 -1.076 10.350 -6.626 1.00 1.22 O ATOM 919 CB SER A 61 -3.860 9.102 -5.483 1.00 42.31 C ATOM 920 OG SER A 61 -4.964 8.221 -5.615 1.00 60.41 O ATOM 0 H SER A 61 -1.862 8.228 -7.494 1.00 11.23 H new ATOM 0 HA SER A 61 -4.160 10.012 -7.422 1.00 31.13 H new ATOM 0 HB2 SER A 61 -3.057 8.603 -4.940 1.00 42.31 H new ATOM 0 HB3 SER A 61 -4.153 9.970 -4.892 1.00 42.31 H new ATOM 0 HG SER A 61 -5.167 8.091 -6.565 1.00 60.41 H new ATOM 926 N ASP A 62 -2.714 11.896 -6.544 1.00 63.43 N ATOM 927 CA ASP A 62 -1.869 13.076 -6.358 1.00 60.23 C ATOM 928 C ASP A 62 -1.736 13.312 -4.861 1.00 24.12 C ATOM 929 O ASP A 62 -2.484 14.076 -4.245 1.00 20.21 O ATOM 930 CB ASP A 62 -2.437 14.292 -7.095 1.00 1.30 C ATOM 931 CG ASP A 62 -1.451 15.465 -7.107 1.00 42.34 C ATOM 932 OD1 ASP A 62 -1.063 15.976 -6.030 1.00 51.01 O ATOM 933 OD2 ASP A 62 -1.075 15.903 -8.214 1.00 54.22 O ATOM 0 H ASP A 62 -3.708 12.123 -6.558 1.00 63.43 H new ATOM 0 HA ASP A 62 -0.881 12.912 -6.789 1.00 60.23 H new ATOM 0 HB2 ASP A 62 -2.682 14.013 -8.120 1.00 1.30 H new ATOM 0 HB3 ASP A 62 -3.366 14.604 -6.618 1.00 1.30 H new ATOM 938 N LEU A 63 -0.867 12.520 -4.238 1.00 14.00 N ATOM 939 CA LEU A 63 -0.787 12.426 -2.783 1.00 54.45 C ATOM 940 C LEU A 63 0.000 13.602 -2.198 1.00 51.25 C ATOM 941 O LEU A 63 -0.072 13.850 -0.996 1.00 33.13 O ATOM 942 CB LEU A 63 -0.191 11.065 -2.387 1.00 62.21 C ATOM 943 CG LEU A 63 -1.043 9.885 -2.906 1.00 54.05 C ATOM 944 CD1 LEU A 63 -0.293 8.568 -2.772 1.00 74.22 C ATOM 945 CD2 LEU A 63 -2.379 9.714 -2.182 1.00 2.02 C ATOM 0 H LEU A 63 -0.198 11.925 -4.728 1.00 14.00 H new ATOM 0 HA LEU A 63 -1.790 12.488 -2.360 1.00 54.45 H new ATOM 0 HB2 LEU A 63 0.821 10.983 -2.784 1.00 62.21 H new ATOM 0 HB3 LEU A 63 -0.113 11.006 -1.301 1.00 62.21 H new ATOM 0 HG LEU A 63 -1.241 10.133 -3.949 1.00 54.05 H new ATOM 0 HD11 LEU A 63 -0.916 7.755 -3.145 1.00 74.22 H new ATOM 0 HD12 LEU A 63 0.629 8.614 -3.352 1.00 74.22 H new ATOM 0 HD13 LEU A 63 -0.054 8.391 -1.723 1.00 74.22 H new ATOM 0 HD21 LEU A 63 -2.916 8.865 -2.605 1.00 2.02 H new ATOM 0 HD22 LEU A 63 -2.198 9.537 -1.122 1.00 2.02 H new ATOM 0 HD23 LEU A 63 -2.976 10.618 -2.302 1.00 2.02 H new ATOM 957 N SER A 64 0.688 14.377 -3.040 1.00 60.53 N ATOM 958 CA SER A 64 1.486 15.541 -2.698 1.00 75.22 C ATOM 959 C SER A 64 0.692 16.562 -1.872 1.00 61.33 C ATOM 960 O SER A 64 1.253 17.238 -1.010 1.00 41.33 O ATOM 961 CB SER A 64 1.956 16.145 -4.029 1.00 15.11 C ATOM 962 OG SER A 64 2.416 15.123 -4.907 1.00 2.34 O ATOM 0 H SER A 64 0.698 14.190 -4.043 1.00 60.53 H new ATOM 0 HA SER A 64 2.331 15.255 -2.071 1.00 75.22 H new ATOM 0 HB2 SER A 64 1.137 16.692 -4.496 1.00 15.11 H new ATOM 0 HB3 SER A 64 2.756 16.863 -3.847 1.00 15.11 H new ATOM 0 HG SER A 64 2.710 15.525 -5.751 1.00 2.34 H new ATOM 968 N HIS A 65 -0.624 16.642 -2.091 1.00 0.33 N ATOM 969 CA HIS A 65 -1.505 17.618 -1.461 1.00 60.14 C ATOM 970 C HIS A 65 -2.297 17.063 -0.279 1.00 33.22 C ATOM 971 O HIS A 65 -3.281 17.677 0.152 1.00 22.30 O ATOM 972 CB HIS A 65 -2.427 18.199 -2.538 1.00 2.34 C ATOM 973 CG HIS A 65 -1.685 18.928 -3.623 1.00 64.34 C ATOM 974 ND1 HIS A 65 -1.429 18.473 -4.898 1.00 35.22 N ATOM 975 CD2 HIS A 65 -1.161 20.184 -3.522 1.00 24.33 C ATOM 976 CE1 HIS A 65 -0.807 19.453 -5.567 1.00 2.30 C ATOM 977 NE2 HIS A 65 -0.616 20.515 -4.766 1.00 31.13 N ATOM 0 H HIS A 65 -1.114 16.013 -2.727 1.00 0.33 H new ATOM 0 HA HIS A 65 -0.885 18.403 -1.027 1.00 60.14 H new ATOM 0 HB2 HIS A 65 -3.008 17.392 -2.984 1.00 2.34 H new ATOM 0 HB3 HIS A 65 -3.136 18.882 -2.070 1.00 2.34 H new ATOM 0 HD1 HIS A 65 -1.670 17.553 -5.267 1.00 35.22 H new ATOM 0 HD2 HIS A 65 -1.166 20.809 -2.641 1.00 24.33 H new ATOM 0 HE1 HIS A 65 -0.503 19.397 -6.602 1.00 2.30 H new ATOM 985 N VAL A 66 -1.924 15.894 0.237 1.00 52.15 N ATOM 986 CA VAL A 66 -2.651 15.244 1.311 1.00 44.05 C ATOM 987 C VAL A 66 -1.881 15.389 2.619 1.00 5.43 C ATOM 988 O VAL A 66 -0.675 15.138 2.684 1.00 1.00 O ATOM 989 CB VAL A 66 -2.892 13.780 0.943 1.00 11.41 C ATOM 990 CG1 VAL A 66 -3.609 13.078 2.108 1.00 51.01 C ATOM 991 CG2 VAL A 66 -3.748 13.631 -0.326 1.00 45.24 C ATOM 0 H VAL A 66 -1.107 15.374 -0.083 1.00 52.15 H new ATOM 0 HA VAL A 66 -3.622 15.718 1.452 1.00 44.05 H new ATOM 0 HB VAL A 66 -1.920 13.326 0.748 1.00 11.41 H new ATOM 0 HG11 VAL A 66 -3.784 12.033 1.851 1.00 51.01 H new ATOM 0 HG12 VAL A 66 -2.989 13.133 3.003 1.00 51.01 H new ATOM 0 HG13 VAL A 66 -4.563 13.570 2.297 1.00 51.01 H new ATOM 0 HG21 VAL A 66 -3.891 12.573 -0.546 1.00 45.24 H new ATOM 0 HG22 VAL A 66 -4.718 14.103 -0.168 1.00 45.24 H new ATOM 0 HG23 VAL A 66 -3.243 14.111 -1.164 1.00 45.24 H new ATOM 1001 N GLN A 67 -2.631 15.734 3.667 1.00 54.04 N ATOM 1002 CA GLN A 67 -2.183 15.863 5.039 1.00 24.11 C ATOM 1003 C GLN A 67 -1.673 14.517 5.567 1.00 30.50 C ATOM 1004 O GLN A 67 -0.479 14.363 5.813 1.00 61.25 O ATOM 1005 CB GLN A 67 -3.357 16.450 5.849 1.00 33.50 C ATOM 1006 CG GLN A 67 -2.976 16.961 7.241 1.00 61.15 C ATOM 1007 CD GLN A 67 -2.778 15.863 8.280 1.00 23.22 C ATOM 1008 OE1 GLN A 67 -1.666 15.389 8.477 1.00 12.32 O ATOM 1009 NE2 GLN A 67 -3.839 15.424 8.942 1.00 24.42 N ATOM 0 H GLN A 67 -3.625 15.941 3.566 1.00 54.04 H new ATOM 0 HA GLN A 67 -1.333 16.539 5.128 1.00 24.11 H new ATOM 0 HB2 GLN A 67 -3.798 17.270 5.283 1.00 33.50 H new ATOM 0 HB3 GLN A 67 -4.127 15.686 5.955 1.00 33.50 H new ATOM 0 HG2 GLN A 67 -2.057 17.541 7.163 1.00 61.15 H new ATOM 0 HG3 GLN A 67 -3.753 17.640 7.591 1.00 61.15 H new ATOM 0 HE21 GLN A 67 -4.757 15.832 8.763 1.00 24.42 H new ATOM 0 HE22 GLN A 67 -3.738 14.678 9.630 1.00 24.42 H new ATOM 1018 N ASN A 68 -2.570 13.545 5.751 1.00 63.45 N ATOM 1019 CA ASN A 68 -2.339 12.313 6.501 1.00 45.21 C ATOM 1020 C ASN A 68 -2.331 11.125 5.547 1.00 30.10 C ATOM 1021 O ASN A 68 -3.349 10.475 5.295 1.00 23.34 O ATOM 1022 CB ASN A 68 -3.333 12.146 7.663 1.00 43.23 C ATOM 1023 CG ASN A 68 -4.810 12.227 7.288 1.00 62.13 C ATOM 1024 OD1 ASN A 68 -5.198 12.651 6.201 1.00 5.14 O ATOM 1025 ND2 ASN A 68 -5.682 11.871 8.210 1.00 33.33 N ATOM 0 H ASN A 68 -3.513 13.599 5.366 1.00 63.45 H new ATOM 0 HA ASN A 68 -1.358 12.368 6.973 1.00 45.21 H new ATOM 0 HB2 ASN A 68 -3.150 11.182 8.137 1.00 43.23 H new ATOM 0 HB3 ASN A 68 -3.124 12.913 8.409 1.00 43.23 H new ATOM 0 HD21 ASN A 68 -6.682 11.947 8.023 1.00 33.33 H new ATOM 0 HD22 ASN A 68 -5.357 11.520 9.111 1.00 33.33 H new ATOM 1032 N LYS A 69 -1.142 10.827 5.022 1.00 24.41 N ATOM 1033 CA LYS A 69 -0.908 9.833 3.972 1.00 4.03 C ATOM 1034 C LYS A 69 -1.480 8.450 4.284 1.00 53.12 C ATOM 1035 O LYS A 69 -1.859 7.701 3.379 1.00 10.24 O ATOM 1036 CB LYS A 69 0.607 9.707 3.763 1.00 71.44 C ATOM 1037 CG LYS A 69 1.344 10.982 3.311 1.00 64.25 C ATOM 1038 CD LYS A 69 0.683 11.653 2.110 1.00 22.43 C ATOM 1039 CE LYS A 69 1.635 12.630 1.403 1.00 24.24 C ATOM 1040 NZ LYS A 69 1.818 13.893 2.152 1.00 23.21 N ATOM 0 H LYS A 69 -0.284 11.287 5.327 1.00 24.41 H new ATOM 0 HA LYS A 69 -1.424 10.184 3.078 1.00 4.03 H new ATOM 0 HB2 LYS A 69 1.054 9.367 4.697 1.00 71.44 H new ATOM 0 HB3 LYS A 69 0.786 8.928 3.022 1.00 71.44 H new ATOM 0 HG2 LYS A 69 1.381 11.688 4.141 1.00 64.25 H new ATOM 0 HG3 LYS A 69 2.374 10.731 3.059 1.00 64.25 H new ATOM 0 HD2 LYS A 69 0.355 10.891 1.403 1.00 22.43 H new ATOM 0 HD3 LYS A 69 -0.208 12.188 2.438 1.00 22.43 H new ATOM 0 HE2 LYS A 69 2.604 12.151 1.265 1.00 24.24 H new ATOM 0 HE3 LYS A 69 1.246 12.855 0.410 1.00 24.24 H new ATOM 0 HZ1 LYS A 69 2.400 14.548 1.592 1.00 23.21 H new ATOM 0 HZ2 LYS A 69 0.890 14.325 2.336 1.00 23.21 H new ATOM 0 HZ3 LYS A 69 2.293 13.695 3.056 1.00 23.21 H new ATOM 1054 N SER A 70 -1.503 8.117 5.558 1.00 33.23 N ATOM 1055 CA SER A 70 -1.959 6.875 6.160 1.00 25.40 C ATOM 1056 C SER A 70 -3.439 6.699 5.874 1.00 62.44 C ATOM 1057 O SER A 70 -3.838 5.681 5.315 1.00 54.15 O ATOM 1058 CB SER A 70 -1.728 6.895 7.679 1.00 45.32 C ATOM 1059 OG SER A 70 -1.176 8.121 8.127 1.00 72.15 O ATOM 0 H SER A 70 -1.172 8.770 6.268 1.00 33.23 H new ATOM 0 HA SER A 70 -1.395 6.045 5.734 1.00 25.40 H new ATOM 0 HB2 SER A 70 -2.675 6.718 8.190 1.00 45.32 H new ATOM 0 HB3 SER A 70 -1.060 6.078 7.953 1.00 45.32 H new ATOM 0 HG SER A 70 -1.049 8.087 9.098 1.00 72.15 H new ATOM 1065 N ALA A 71 -4.246 7.696 6.251 1.00 64.23 N ATOM 1066 CA ALA A 71 -5.691 7.645 6.132 1.00 73.23 C ATOM 1067 C ALA A 71 -6.091 7.495 4.674 1.00 44.11 C ATOM 1068 O ALA A 71 -6.990 6.716 4.363 1.00 41.12 O ATOM 1069 CB ALA A 71 -6.310 8.911 6.731 1.00 53.32 C ATOM 0 H ALA A 71 -3.901 8.568 6.651 1.00 64.23 H new ATOM 0 HA ALA A 71 -6.063 6.781 6.683 1.00 73.23 H new ATOM 0 HB1 ALA A 71 -7.395 8.865 6.638 1.00 53.32 H new ATOM 0 HB2 ALA A 71 -6.039 8.985 7.784 1.00 53.32 H new ATOM 0 HB3 ALA A 71 -5.937 9.786 6.198 1.00 53.32 H new ATOM 1075 N PHE A 72 -5.377 8.186 3.781 1.00 14.10 N ATOM 1076 CA PHE A 72 -5.687 8.117 2.361 1.00 31.54 C ATOM 1077 C PHE A 72 -5.508 6.685 1.875 1.00 10.11 C ATOM 1078 O PHE A 72 -6.396 6.126 1.228 1.00 10.33 O ATOM 1079 CB PHE A 72 -4.808 9.073 1.555 1.00 43.25 C ATOM 1080 CG PHE A 72 -5.240 9.164 0.104 1.00 13.00 C ATOM 1081 CD1 PHE A 72 -4.955 8.122 -0.802 1.00 63.52 C ATOM 1082 CD2 PHE A 72 -6.007 10.262 -0.321 1.00 34.11 C ATOM 1083 CE1 PHE A 72 -5.449 8.170 -2.116 1.00 62.31 C ATOM 1084 CE2 PHE A 72 -6.490 10.314 -1.637 1.00 11.23 C ATOM 1085 CZ PHE A 72 -6.209 9.272 -2.533 1.00 44.22 C ATOM 0 H PHE A 72 -4.591 8.791 4.018 1.00 14.10 H new ATOM 0 HA PHE A 72 -6.723 8.423 2.213 1.00 31.54 H new ATOM 0 HB2 PHE A 72 -4.845 10.065 2.006 1.00 43.25 H new ATOM 0 HB3 PHE A 72 -3.772 8.739 1.603 1.00 43.25 H new ATOM 0 HD1 PHE A 72 -4.354 7.283 -0.484 1.00 63.52 H new ATOM 0 HD2 PHE A 72 -6.225 11.066 0.366 1.00 34.11 H new ATOM 0 HE1 PHE A 72 -5.244 7.362 -2.802 1.00 62.31 H new ATOM 0 HE2 PHE A 72 -7.080 11.159 -1.961 1.00 11.23 H new ATOM 0 HZ PHE A 72 -6.579 9.319 -3.547 1.00 44.22 H new ATOM 1095 N LEU A 73 -4.344 6.109 2.183 1.00 2.03 N ATOM 1096 CA LEU A 73 -3.939 4.786 1.741 1.00 24.14 C ATOM 1097 C LEU A 73 -4.913 3.769 2.302 1.00 22.34 C ATOM 1098 O LEU A 73 -5.540 3.008 1.566 1.00 1.13 O ATOM 1099 CB LEU A 73 -2.501 4.533 2.229 1.00 70.12 C ATOM 1100 CG LEU A 73 -1.947 3.102 2.026 1.00 5.21 C ATOM 1101 CD1 LEU A 73 -1.985 2.339 3.343 1.00 13.23 C ATOM 1102 CD2 LEU A 73 -2.504 2.321 0.827 1.00 53.22 C ATOM 0 H LEU A 73 -3.642 6.568 2.763 1.00 2.03 H new ATOM 0 HA LEU A 73 -3.953 4.703 0.654 1.00 24.14 H new ATOM 0 HB2 LEU A 73 -1.839 5.231 1.717 1.00 70.12 H new ATOM 0 HB3 LEU A 73 -2.454 4.770 3.292 1.00 70.12 H new ATOM 0 HG LEU A 73 -0.906 3.221 1.725 1.00 5.21 H new ATOM 0 HD11 LEU A 73 -1.594 1.333 3.192 1.00 13.23 H new ATOM 0 HD12 LEU A 73 -1.375 2.858 4.082 1.00 13.23 H new ATOM 0 HD13 LEU A 73 -3.013 2.279 3.699 1.00 13.23 H new ATOM 0 HD21 LEU A 73 -2.042 1.335 0.789 1.00 53.22 H new ATOM 0 HD22 LEU A 73 -3.583 2.212 0.933 1.00 53.22 H new ATOM 0 HD23 LEU A 73 -2.283 2.861 -0.094 1.00 53.22 H new ATOM 1114 N CYS A 74 -5.033 3.757 3.625 1.00 21.14 N ATOM 1115 CA CYS A 74 -5.813 2.759 4.327 1.00 22.11 C ATOM 1116 C CYS A 74 -7.294 2.843 3.917 1.00 1.01 C ATOM 1117 O CYS A 74 -7.988 1.827 3.948 1.00 52.43 O ATOM 1118 CB CYS A 74 -5.631 2.943 5.837 1.00 13.43 C ATOM 1119 SG CYS A 74 -5.887 1.351 6.664 1.00 10.34 S ATOM 0 H CYS A 74 -4.589 4.442 4.237 1.00 21.14 H new ATOM 0 HA CYS A 74 -5.462 1.763 4.057 1.00 22.11 H new ATOM 0 HB2 CYS A 74 -4.632 3.322 6.052 1.00 13.43 H new ATOM 0 HB3 CYS A 74 -6.339 3.681 6.214 1.00 13.43 H new ATOM 0 HG CYS A 74 -6.831 0.694 6.058 1.00 10.34 H new ATOM 1125 N GLY A 75 -7.775 4.020 3.496 1.00 42.13 N ATOM 1126 CA GLY A 75 -9.075 4.185 2.864 1.00 31.41 C ATOM 1127 C GLY A 75 -9.214 3.291 1.633 1.00 72.14 C ATOM 1128 O GLY A 75 -10.161 2.501 1.562 1.00 64.42 O ATOM 0 H GLY A 75 -7.257 4.894 3.590 1.00 42.13 H new ATOM 0 HA2 GLY A 75 -9.862 3.946 3.579 1.00 31.41 H new ATOM 0 HA3 GLY A 75 -9.211 5.227 2.576 1.00 31.41 H new ATOM 1132 N VAL A 76 -8.273 3.369 0.682 1.00 22.20 N ATOM 1133 CA VAL A 76 -8.285 2.550 -0.535 1.00 34.52 C ATOM 1134 C VAL A 76 -8.373 1.075 -0.129 1.00 43.24 C ATOM 1135 O VAL A 76 -9.267 0.363 -0.586 1.00 4.21 O ATOM 1136 CB VAL A 76 -7.063 2.849 -1.442 1.00 72.24 C ATOM 1137 CG1 VAL A 76 -7.136 2.082 -2.767 1.00 53.42 C ATOM 1138 CG2 VAL A 76 -6.921 4.345 -1.762 1.00 74.44 C ATOM 0 H VAL A 76 -7.478 4.006 0.737 1.00 22.20 H new ATOM 0 HA VAL A 76 -9.158 2.800 -1.138 1.00 34.52 H new ATOM 0 HB VAL A 76 -6.194 2.521 -0.871 1.00 72.24 H new ATOM 0 HG11 VAL A 76 -6.262 2.319 -3.373 1.00 53.42 H new ATOM 0 HG12 VAL A 76 -7.159 1.011 -2.567 1.00 53.42 H new ATOM 0 HG13 VAL A 76 -8.039 2.370 -3.305 1.00 53.42 H new ATOM 0 HG21 VAL A 76 -6.051 4.500 -2.400 1.00 74.44 H new ATOM 0 HG22 VAL A 76 -7.816 4.693 -2.279 1.00 74.44 H new ATOM 0 HG23 VAL A 76 -6.796 4.905 -0.835 1.00 74.44 H new ATOM 1148 N MET A 77 -7.519 0.634 0.806 1.00 73.41 N ATOM 1149 CA MET A 77 -7.528 -0.734 1.333 1.00 72.52 C ATOM 1150 C MET A 77 -8.937 -1.135 1.776 1.00 65.11 C ATOM 1151 O MET A 77 -9.475 -2.147 1.331 1.00 53.03 O ATOM 1152 CB MET A 77 -6.560 -0.905 2.518 1.00 32.14 C ATOM 1153 CG MET A 77 -5.150 -0.379 2.264 1.00 32.24 C ATOM 1154 SD MET A 77 -4.000 -0.697 3.610 1.00 73.12 S ATOM 1155 CE MET A 77 -2.467 -0.747 2.657 1.00 42.23 C ATOM 0 H MET A 77 -6.797 1.224 1.220 1.00 73.41 H new ATOM 0 HA MET A 77 -7.197 -1.383 0.522 1.00 72.52 H new ATOM 0 HB2 MET A 77 -6.974 -0.393 3.386 1.00 32.14 H new ATOM 0 HB3 MET A 77 -6.499 -1.963 2.771 1.00 32.14 H new ATOM 0 HG2 MET A 77 -4.762 -0.834 1.353 1.00 32.24 H new ATOM 0 HG3 MET A 77 -5.200 0.696 2.088 1.00 32.24 H new ATOM 0 HE1 MET A 77 -1.616 -0.776 3.338 1.00 42.23 H new ATOM 0 HE2 MET A 77 -2.459 -1.637 2.028 1.00 42.23 H new ATOM 0 HE3 MET A 77 -2.399 0.142 2.030 1.00 42.23 H new ATOM 1165 N LYS A 78 -9.544 -0.324 2.640 1.00 45.13 N ATOM 1166 CA LYS A 78 -10.817 -0.653 3.270 1.00 11.20 C ATOM 1167 C LYS A 78 -11.895 -0.784 2.212 1.00 41.22 C ATOM 1168 O LYS A 78 -12.704 -1.704 2.258 1.00 74.55 O ATOM 1169 CB LYS A 78 -11.201 0.426 4.292 1.00 73.41 C ATOM 1170 CG LYS A 78 -12.346 -0.087 5.183 1.00 52.21 C ATOM 1171 CD LYS A 78 -12.602 0.809 6.403 1.00 24.14 C ATOM 1172 CE LYS A 78 -11.562 0.649 7.522 1.00 23.24 C ATOM 1173 NZ LYS A 78 -11.585 -0.696 8.142 1.00 65.34 N ATOM 0 H LYS A 78 -9.165 0.580 2.922 1.00 45.13 H new ATOM 0 HA LYS A 78 -10.718 -1.604 3.794 1.00 11.20 H new ATOM 0 HB2 LYS A 78 -10.337 0.683 4.905 1.00 73.41 H new ATOM 0 HB3 LYS A 78 -11.508 1.336 3.776 1.00 73.41 H new ATOM 0 HG2 LYS A 78 -13.258 -0.154 4.590 1.00 52.21 H new ATOM 0 HG3 LYS A 78 -12.111 -1.096 5.522 1.00 52.21 H new ATOM 0 HD2 LYS A 78 -12.617 1.850 6.080 1.00 24.14 H new ATOM 0 HD3 LYS A 78 -13.590 0.586 6.804 1.00 24.14 H new ATOM 0 HE2 LYS A 78 -10.568 0.840 7.117 1.00 23.24 H new ATOM 0 HE3 LYS A 78 -11.743 1.401 8.290 1.00 23.24 H new ATOM 0 HZ1 LYS A 78 -10.989 -0.696 8.994 1.00 65.34 H new ATOM 0 HZ2 LYS A 78 -12.561 -0.941 8.403 1.00 65.34 H new ATOM 0 HZ3 LYS A 78 -11.221 -1.397 7.465 1.00 65.34 H new ATOM 1187 N THR A 79 -11.908 0.152 1.266 1.00 5.43 N ATOM 1188 CA THR A 79 -12.856 0.167 0.174 1.00 53.43 C ATOM 1189 C THR A 79 -12.737 -1.127 -0.625 1.00 70.22 C ATOM 1190 O THR A 79 -13.752 -1.777 -0.852 1.00 4.42 O ATOM 1191 CB THR A 79 -12.639 1.426 -0.682 1.00 25.54 C ATOM 1192 OG1 THR A 79 -12.487 2.565 0.144 1.00 4.21 O ATOM 1193 CG2 THR A 79 -13.869 1.703 -1.536 1.00 3.14 C ATOM 0 H THR A 79 -11.248 0.929 1.243 1.00 5.43 H new ATOM 0 HA THR A 79 -13.877 0.214 0.554 1.00 53.43 H new ATOM 0 HB THR A 79 -11.753 1.249 -1.292 1.00 25.54 H new ATOM 0 HG1 THR A 79 -11.579 2.583 0.512 1.00 4.21 H new ATOM 0 HG21 THR A 79 -13.701 2.597 -2.137 1.00 3.14 H new ATOM 0 HG22 THR A 79 -14.054 0.854 -2.194 1.00 3.14 H new ATOM 0 HG23 THR A 79 -14.733 1.857 -0.890 1.00 3.14 H new ATOM 1201 N TYR A 80 -11.517 -1.544 -0.980 1.00 74.53 N ATOM 1202 CA TYR A 80 -11.310 -2.763 -1.749 1.00 3.14 C ATOM 1203 C TYR A 80 -11.753 -4.001 -0.982 1.00 2.34 C ATOM 1204 O TYR A 80 -12.360 -4.898 -1.566 1.00 4.22 O ATOM 1205 CB TYR A 80 -9.845 -2.924 -2.124 1.00 45.01 C ATOM 1206 CG TYR A 80 -9.513 -2.366 -3.482 1.00 63.54 C ATOM 1207 CD1 TYR A 80 -9.867 -3.097 -4.629 1.00 70.31 C ATOM 1208 CD2 TYR A 80 -8.865 -1.129 -3.598 1.00 51.02 C ATOM 1209 CE1 TYR A 80 -9.553 -2.611 -5.906 1.00 5.44 C ATOM 1210 CE2 TYR A 80 -8.520 -0.649 -4.872 1.00 52.05 C ATOM 1211 CZ TYR A 80 -8.855 -1.392 -6.031 1.00 43.13 C ATOM 1212 OH TYR A 80 -8.488 -0.946 -7.259 1.00 52.21 O ATOM 0 H TYR A 80 -10.658 -1.048 -0.743 1.00 74.53 H new ATOM 0 HA TYR A 80 -11.918 -2.669 -2.649 1.00 3.14 H new ATOM 0 HB2 TYR A 80 -9.229 -2.428 -1.374 1.00 45.01 H new ATOM 0 HB3 TYR A 80 -9.585 -3.982 -2.100 1.00 45.01 H new ATOM 0 HD1 TYR A 80 -10.384 -4.039 -4.526 1.00 70.31 H new ATOM 0 HD2 TYR A 80 -8.633 -0.550 -2.716 1.00 51.02 H new ATOM 0 HE1 TYR A 80 -9.843 -3.165 -6.786 1.00 5.44 H new ATOM 0 HE2 TYR A 80 -7.997 0.291 -4.969 1.00 52.05 H new ATOM 0 HH TYR A 80 -9.133 -1.260 -7.927 1.00 52.21 H new ATOM 1222 N ARG A 81 -11.407 -4.086 0.308 1.00 51.11 N ATOM 1223 CA ARG A 81 -11.771 -5.232 1.125 1.00 24.34 C ATOM 1224 C ARG A 81 -13.287 -5.319 1.211 1.00 31.44 C ATOM 1225 O ARG A 81 -13.856 -6.372 0.930 1.00 62.21 O ATOM 1226 CB ARG A 81 -11.096 -5.162 2.506 1.00 43.10 C ATOM 1227 CG ARG A 81 -11.148 -6.544 3.173 1.00 3.13 C ATOM 1228 CD ARG A 81 -10.415 -6.569 4.521 1.00 73.34 C ATOM 1229 NE ARG A 81 -11.173 -7.320 5.530 1.00 53.41 N ATOM 1230 CZ ARG A 81 -11.055 -8.613 5.856 1.00 33.31 C ATOM 1231 NH1 ARG A 81 -10.143 -9.407 5.299 1.00 11.01 N ATOM 1232 NH2 ARG A 81 -11.879 -9.109 6.766 1.00 14.14 N ATOM 0 H ARG A 81 -10.875 -3.370 0.802 1.00 51.11 H new ATOM 0 HA ARG A 81 -11.408 -6.149 0.662 1.00 24.34 H new ATOM 0 HB2 ARG A 81 -10.061 -4.836 2.401 1.00 43.10 H new ATOM 0 HB3 ARG A 81 -11.600 -4.425 3.132 1.00 43.10 H new ATOM 0 HG2 ARG A 81 -12.188 -6.834 3.322 1.00 3.13 H new ATOM 0 HG3 ARG A 81 -10.704 -7.283 2.507 1.00 3.13 H new ATOM 0 HD2 ARG A 81 -9.431 -7.020 4.393 1.00 73.34 H new ATOM 0 HD3 ARG A 81 -10.255 -5.548 4.869 1.00 73.34 H new ATOM 0 HE ARG A 81 -11.876 -6.791 6.046 1.00 53.41 H new ATOM 0 HH11 ARG A 81 -9.503 -9.035 4.597 1.00 11.01 H new ATOM 0 HH12 ARG A 81 -10.084 -10.387 5.574 1.00 11.01 H new ATOM 0 HH21 ARG A 81 -12.581 -8.509 7.199 1.00 14.14 H new ATOM 0 HH22 ARG A 81 -11.812 -10.091 7.034 1.00 14.14 H new ATOM 1246 N GLN A 82 -13.948 -4.219 1.562 1.00 1.42 N ATOM 1247 CA GLN A 82 -15.403 -4.150 1.517 1.00 24.22 C ATOM 1248 C GLN A 82 -15.868 -3.788 0.100 1.00 4.13 C ATOM 1249 O GLN A 82 -16.463 -2.737 -0.162 1.00 62.40 O ATOM 1250 CB GLN A 82 -15.980 -3.242 2.615 1.00 25.22 C ATOM 1251 CG GLN A 82 -17.026 -4.013 3.439 1.00 72.30 C ATOM 1252 CD GLN A 82 -17.932 -3.097 4.254 1.00 1.02 C ATOM 1253 OE1 GLN A 82 -17.489 -2.394 5.163 1.00 33.51 O ATOM 1254 NE2 GLN A 82 -19.218 -3.044 3.950 1.00 11.34 N ATOM 0 H GLN A 82 -13.496 -3.362 1.881 1.00 1.42 H new ATOM 0 HA GLN A 82 -15.808 -5.136 1.743 1.00 24.22 H new ATOM 0 HB2 GLN A 82 -15.179 -2.890 3.266 1.00 25.22 H new ATOM 0 HB3 GLN A 82 -16.437 -2.360 2.166 1.00 25.22 H new ATOM 0 HG2 GLN A 82 -17.637 -4.616 2.768 1.00 72.30 H new ATOM 0 HG3 GLN A 82 -16.515 -4.702 4.111 1.00 72.30 H new ATOM 0 HE21 GLN A 82 -19.589 -3.625 3.198 1.00 11.34 H new ATOM 0 HE22 GLN A 82 -19.839 -2.422 4.468 1.00 11.34 H new