USER MOD reduce.3.24.130724 H: found=0, std=0, add=801, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 799 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 14 SER OG : rot 180:sc= -0.696 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.7,f=-1.9!) USER MOD Single : A 1 MET CE :methyl 146:sc= -0.124 (180deg=-0.957) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.00896 USER MOD Single : A 6 GLN : amide:sc= 0.568 K(o=0.57,f=-0.32) USER MOD Single : A -1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 CYS SG : rot -170:sc= -6.12! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.154 USER MOD Single : A 29 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.174) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 32 SER OG : rot -167:sc= -0.801 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= -0.136 K(o=-0.14,f=-6.5!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.472 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -156:sc= -0.0458 (180deg=-0.695) USER MOD Single : A 73 GLN : amide:sc= -0.315 K(o=-0.31,f=-1.4) USER MOD Single : A 78 HIS : no HE2:sc= -2.83 X(o=-2.8,f=-3.1!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0.00109 USER MOD Single : A 86 ASN : amide:sc= -0.0261 K(o=-0.026,f=-1.3) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot 41:sc= -1.13 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HIS : no HD1:sc= -0.0623 X(o=-0.062,f=0) USER MOD Single : A 97 SER OG : rot -67:sc= 0.228 USER MOD Single : A 98 ASN : amide:sc= 0 X(o=0,f=-0.0035) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -1 92.672 19.229 -10.802 1.00 0.00 N ATOM 2 CA GLY A -1 91.856 17.988 -10.930 1.00 0.00 C ATOM 3 C GLY A -1 92.677 16.785 -10.464 1.00 0.00 C ATOM 4 O GLY A -1 93.772 16.551 -10.940 1.00 0.00 O ATOM 0 H1 GLY A -1 92.113 20.046 -11.119 1.00 0.00 H new ATOM 0 H2 GLY A -1 92.947 19.362 -9.808 1.00 0.00 H new ATOM 0 H3 GLY A -1 93.526 19.145 -11.389 1.00 0.00 H new ATOM 0 HA2 GLY A -1 90.948 18.075 -10.333 1.00 0.00 H new ATOM 0 HA3 GLY A -1 91.545 17.850 -11.966 1.00 0.00 H new ATOM 10 N ALA A 0 92.152 16.024 -9.534 1.00 0.00 N ATOM 11 CA ALA A 0 92.891 14.829 -9.025 1.00 0.00 C ATOM 12 C ALA A 0 92.292 13.547 -9.608 1.00 0.00 C ATOM 13 O ALA A 0 91.100 13.460 -9.842 1.00 0.00 O ATOM 14 CB ALA A 0 92.705 14.867 -7.508 1.00 0.00 C ATOM 0 H ALA A 0 91.240 16.181 -9.105 1.00 0.00 H new ATOM 0 HA ALA A 0 93.944 14.843 -9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 0 93.220 14.019 -7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 0 93.120 15.795 -7.114 1.00 0.00 H new ATOM 0 HB3 ALA A 0 91.643 14.815 -7.270 1.00 0.00 H new ATOM 20 N MET A 1 93.113 12.553 -9.843 1.00 0.00 N ATOM 21 CA MET A 1 92.607 11.266 -10.410 1.00 0.00 C ATOM 22 C MET A 1 92.143 10.337 -9.285 1.00 0.00 C ATOM 23 O MET A 1 92.686 10.353 -8.195 1.00 0.00 O ATOM 24 CB MET A 1 93.803 10.661 -11.147 1.00 0.00 C ATOM 25 CG MET A 1 94.193 11.565 -12.317 1.00 0.00 C ATOM 26 SD MET A 1 95.469 10.750 -13.309 1.00 0.00 S ATOM 27 CE MET A 1 94.403 9.502 -14.072 1.00 0.00 C ATOM 0 H MET A 1 94.117 12.579 -9.665 1.00 0.00 H new ATOM 0 HA MET A 1 91.753 11.414 -11.071 1.00 0.00 H new ATOM 0 HB2 MET A 1 94.645 10.549 -10.464 1.00 0.00 H new ATOM 0 HB3 MET A 1 93.553 9.665 -11.511 1.00 0.00 H new ATOM 0 HG2 MET A 1 93.319 11.778 -12.933 1.00 0.00 H new ATOM 0 HG3 MET A 1 94.562 12.521 -11.945 1.00 0.00 H new ATOM 0 HE1 MET A 1 94.749 9.298 -15.085 1.00 0.00 H new ATOM 0 HE2 MET A 1 94.439 8.584 -13.485 1.00 0.00 H new ATOM 0 HE3 MET A 1 93.378 9.871 -14.106 1.00 0.00 H new ATOM 37 N GLY A 2 91.144 9.531 -9.545 1.00 0.00 N ATOM 38 CA GLY A 2 90.618 8.611 -8.492 1.00 0.00 C ATOM 39 C GLY A 2 90.992 7.159 -8.840 1.00 0.00 C ATOM 40 O GLY A 2 91.364 6.882 -9.963 1.00 0.00 O ATOM 0 H GLY A 2 90.669 9.471 -10.445 1.00 0.00 H new ATOM 0 HA2 GLY A 2 91.031 8.881 -7.520 1.00 0.00 H new ATOM 0 HA3 GLY A 2 89.535 8.710 -8.416 1.00 0.00 H new ATOM 44 N PRO A 3 90.887 6.267 -7.871 1.00 0.00 N ATOM 45 CA PRO A 3 91.244 4.846 -8.124 1.00 0.00 C ATOM 46 C PRO A 3 90.344 4.255 -9.215 1.00 0.00 C ATOM 47 O PRO A 3 89.229 3.843 -8.953 1.00 0.00 O ATOM 48 CB PRO A 3 90.999 4.147 -6.786 1.00 0.00 C ATOM 49 CG PRO A 3 90.156 5.086 -5.983 1.00 0.00 C ATOM 50 CD PRO A 3 90.438 6.475 -6.483 1.00 0.00 C ATOM 0 HA PRO A 3 92.271 4.728 -8.471 1.00 0.00 H new ATOM 0 HB2 PRO A 3 90.492 3.193 -6.931 1.00 0.00 H new ATOM 0 HB3 PRO A 3 91.940 3.934 -6.278 1.00 0.00 H new ATOM 0 HG2 PRO A 3 89.099 4.844 -6.094 1.00 0.00 H new ATOM 0 HG3 PRO A 3 90.392 5.004 -4.922 1.00 0.00 H new ATOM 0 HD2 PRO A 3 89.548 7.103 -6.441 1.00 0.00 H new ATOM 0 HD3 PRO A 3 91.205 6.967 -5.885 1.00 0.00 H new ATOM 58 N THR A 4 90.825 4.212 -10.434 1.00 0.00 N ATOM 59 CA THR A 4 90.021 3.623 -11.549 1.00 0.00 C ATOM 60 C THR A 4 90.425 2.164 -11.813 1.00 0.00 C ATOM 61 O THR A 4 90.097 1.608 -12.845 1.00 0.00 O ATOM 62 CB THR A 4 90.346 4.490 -12.769 1.00 0.00 C ATOM 63 OG1 THR A 4 91.743 4.447 -13.019 1.00 0.00 O ATOM 64 CG2 THR A 4 89.915 5.935 -12.506 1.00 0.00 C ATOM 0 H THR A 4 91.744 4.561 -10.705 1.00 0.00 H new ATOM 0 HA THR A 4 88.957 3.612 -11.315 1.00 0.00 H new ATOM 0 HB THR A 4 89.809 4.109 -13.637 1.00 0.00 H new ATOM 0 HG1 THR A 4 91.953 5.000 -13.800 1.00 0.00 H new ATOM 0 HG21 THR A 4 90.148 6.548 -13.376 1.00 0.00 H new ATOM 0 HG22 THR A 4 88.842 5.966 -12.317 1.00 0.00 H new ATOM 0 HG23 THR A 4 90.448 6.321 -11.637 1.00 0.00 H new ATOM 72 N ASP A 5 91.130 1.541 -10.893 1.00 0.00 N ATOM 73 CA ASP A 5 91.622 0.147 -11.133 1.00 0.00 C ATOM 74 C ASP A 5 90.490 -0.864 -10.927 1.00 0.00 C ATOM 75 O ASP A 5 89.665 -0.714 -10.045 1.00 0.00 O ATOM 76 CB ASP A 5 92.730 -0.072 -10.097 1.00 0.00 C ATOM 77 CG ASP A 5 93.886 0.902 -10.357 1.00 0.00 C ATOM 78 OD1 ASP A 5 94.086 1.270 -11.504 1.00 0.00 O ATOM 79 OD2 ASP A 5 94.553 1.263 -9.401 1.00 0.00 O ATOM 0 H ASP A 5 91.384 1.939 -9.989 1.00 0.00 H new ATOM 0 HA ASP A 5 91.984 0.013 -12.152 1.00 0.00 H new ATOM 0 HB2 ASP A 5 92.335 0.078 -9.092 1.00 0.00 H new ATOM 0 HB3 ASP A 5 93.090 -1.100 -10.148 1.00 0.00 H new ATOM 84 N GLN A 6 90.449 -1.893 -11.741 1.00 0.00 N ATOM 85 CA GLN A 6 89.413 -2.964 -11.563 1.00 0.00 C ATOM 86 C GLN A 6 89.712 -3.854 -10.346 1.00 0.00 C ATOM 87 O GLN A 6 88.933 -4.729 -10.014 1.00 0.00 O ATOM 88 CB GLN A 6 89.461 -3.791 -12.852 1.00 0.00 C ATOM 89 CG GLN A 6 89.143 -2.900 -14.057 1.00 0.00 C ATOM 90 CD GLN A 6 87.706 -2.385 -13.953 1.00 0.00 C ATOM 91 OE1 GLN A 6 86.789 -3.149 -13.720 1.00 0.00 O ATOM 92 NE2 GLN A 6 87.468 -1.111 -14.116 1.00 0.00 N ATOM 0 H GLN A 6 91.089 -2.038 -12.522 1.00 0.00 H new ATOM 0 HA GLN A 6 88.430 -2.529 -11.383 1.00 0.00 H new ATOM 0 HB2 GLN A 6 90.448 -4.239 -12.970 1.00 0.00 H new ATOM 0 HB3 GLN A 6 88.744 -4.610 -12.795 1.00 0.00 H new ATOM 0 HG2 GLN A 6 89.838 -2.061 -14.095 1.00 0.00 H new ATOM 0 HG3 GLN A 6 89.272 -3.463 -14.982 1.00 0.00 H new ATOM 0 HE21 GLN A 6 88.237 -0.470 -14.311 1.00 0.00 H new ATOM 0 HE22 GLN A 6 86.514 -0.758 -14.048 1.00 0.00 H new ATOM 101 N ASP A 7 90.824 -3.644 -9.682 1.00 0.00 N ATOM 102 CA ASP A 7 91.139 -4.444 -8.456 1.00 0.00 C ATOM 103 C ASP A 7 90.167 -4.085 -7.326 1.00 0.00 C ATOM 104 O ASP A 7 89.917 -4.884 -6.442 1.00 0.00 O ATOM 105 CB ASP A 7 92.574 -4.067 -8.074 1.00 0.00 C ATOM 106 CG ASP A 7 93.541 -4.506 -9.181 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.244 -5.478 -9.857 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.566 -3.860 -9.332 1.00 0.00 O ATOM 0 H ASP A 7 91.528 -2.952 -9.937 1.00 0.00 H new ATOM 0 HA ASP A 7 91.042 -5.515 -8.633 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.648 -2.990 -7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.846 -4.543 -7.132 1.00 0.00 H new ATOM 113 N TRP A 8 89.619 -2.891 -7.350 1.00 0.00 N ATOM 114 CA TRP A 8 88.688 -2.465 -6.261 1.00 0.00 C ATOM 115 C TRP A 8 87.309 -3.114 -6.420 1.00 0.00 C ATOM 116 O TRP A 8 86.512 -3.090 -5.505 1.00 0.00 O ATOM 117 CB TRP A 8 88.580 -0.945 -6.371 1.00 0.00 C ATOM 118 CG TRP A 8 89.705 -0.221 -5.704 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.383 0.821 -6.244 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.301 -0.468 -4.396 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.360 1.242 -5.355 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.366 0.488 -4.202 1.00 0.00 C ATOM 123 CE3 TRP A 8 90.037 -1.420 -3.344 1.00 0.00 C ATOM 124 CZ2 TRP A 8 92.150 0.502 -3.008 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.825 -1.412 -2.141 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.880 -0.454 -1.977 1.00 0.00 C ATOM 0 H TRP A 8 89.778 -2.195 -8.078 1.00 0.00 H new ATOM 0 HA TRP A 8 89.063 -2.774 -5.285 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.551 -0.665 -7.424 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.637 -0.622 -5.930 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.192 1.255 -7.214 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.998 2.017 -5.533 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.243 -2.143 -3.461 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.940 1.228 -2.884 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.622 -2.129 -1.359 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.472 -0.454 -1.074 1.00 0.00 H new ATOM 137 N ILE A 9 87.008 -3.703 -7.561 1.00 0.00 N ATOM 138 CA ILE A 9 85.618 -4.232 -7.786 1.00 0.00 C ATOM 139 C ILE A 9 85.241 -5.221 -6.666 1.00 0.00 C ATOM 140 O ILE A 9 85.981 -6.136 -6.356 1.00 0.00 O ATOM 141 CB ILE A 9 85.650 -4.934 -9.157 1.00 0.00 C ATOM 142 CG1 ILE A 9 86.028 -3.933 -10.269 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.271 -5.530 -9.468 1.00 0.00 C ATOM 144 CD1 ILE A 9 85.037 -2.761 -10.298 1.00 0.00 C ATOM 0 H ILE A 9 87.657 -3.839 -8.337 1.00 0.00 H new ATOM 0 HA ILE A 9 84.872 -3.437 -7.772 1.00 0.00 H new ATOM 0 HB ILE A 9 86.397 -5.727 -9.120 1.00 0.00 H new ATOM 0 HG12 ILE A 9 87.038 -3.559 -10.101 1.00 0.00 H new ATOM 0 HG13 ILE A 9 86.031 -4.438 -11.235 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.299 -6.025 -10.439 1.00 0.00 H new ATOM 0 HG22 ILE A 9 84.006 -6.255 -8.698 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.527 -4.734 -9.488 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.319 -2.065 -11.088 1.00 0.00 H new ATOM 0 HD12 ILE A 9 84.032 -3.139 -10.489 1.00 0.00 H new ATOM 0 HD13 ILE A 9 85.055 -2.246 -9.338 1.00 0.00 H new ATOM 156 N GLY A 10 84.093 -5.027 -6.068 1.00 0.00 N ATOM 157 CA GLY A 10 83.678 -5.879 -4.914 1.00 0.00 C ATOM 158 C GLY A 10 84.253 -5.362 -3.582 1.00 0.00 C ATOM 159 O GLY A 10 83.992 -5.945 -2.543 1.00 0.00 O ATOM 0 H GLY A 10 83.420 -4.308 -6.333 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.590 -5.904 -4.854 1.00 0.00 H new ATOM 0 HA3 GLY A 10 84.012 -6.903 -5.080 1.00 0.00 H new ATOM 163 N CYS A 11 85.024 -4.286 -3.585 1.00 0.00 N ATOM 164 CA CYS A 11 85.545 -3.742 -2.282 1.00 0.00 C ATOM 165 C CYS A 11 84.487 -2.840 -1.615 1.00 0.00 C ATOM 166 O CYS A 11 83.631 -2.289 -2.281 1.00 0.00 O ATOM 167 CB CYS A 11 86.873 -3.001 -2.618 1.00 0.00 C ATOM 168 SG CYS A 11 86.620 -1.302 -3.237 1.00 0.00 S ATOM 0 H CYS A 11 85.309 -3.772 -4.419 1.00 0.00 H new ATOM 0 HA CYS A 11 85.747 -4.527 -1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.496 -2.965 -1.724 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.421 -3.574 -3.366 1.00 0.00 H new ATOM 0 HG CYS A 11 87.743 -0.836 -3.697 1.00 0.00 H new ATOM 174 N ALA A 12 84.549 -2.694 -0.314 1.00 0.00 N ATOM 175 CA ALA A 12 83.493 -1.918 0.411 1.00 0.00 C ATOM 176 C ALA A 12 83.896 -0.446 0.512 1.00 0.00 C ATOM 177 O ALA A 12 84.917 -0.123 1.091 1.00 0.00 O ATOM 178 CB ALA A 12 83.424 -2.554 1.803 1.00 0.00 C ATOM 0 H ALA A 12 85.285 -3.079 0.278 1.00 0.00 H new ATOM 0 HA ALA A 12 82.531 -1.948 -0.100 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.670 -2.041 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 12 83.158 -3.607 1.709 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.395 -2.467 2.291 1.00 0.00 H new ATOM 184 N VAL A 13 83.106 0.444 -0.040 1.00 0.00 N ATOM 185 CA VAL A 13 83.473 1.895 -0.016 1.00 0.00 C ATOM 186 C VAL A 13 82.257 2.754 0.344 1.00 0.00 C ATOM 187 O VAL A 13 81.123 2.349 0.160 1.00 0.00 O ATOM 188 CB VAL A 13 83.968 2.212 -1.434 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.189 1.349 -1.754 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.863 1.919 -2.456 1.00 0.00 C ATOM 0 H VAL A 13 82.224 0.228 -0.505 1.00 0.00 H new ATOM 0 HA VAL A 13 84.235 2.110 0.733 1.00 0.00 H new ATOM 0 HB VAL A 13 84.236 3.267 -1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.540 1.574 -2.761 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.982 1.561 -1.037 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.916 0.295 -1.692 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.225 2.147 -3.459 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.586 0.866 -2.401 1.00 0.00 H new ATOM 0 HG23 VAL A 13 81.991 2.535 -2.236 1.00 0.00 H new ATOM 200 N SER A 14 82.494 3.937 0.857 1.00 0.00 N ATOM 201 CA SER A 14 81.378 4.888 1.118 1.00 0.00 C ATOM 202 C SER A 14 81.629 6.180 0.353 1.00 0.00 C ATOM 203 O SER A 14 82.753 6.632 0.249 1.00 0.00 O ATOM 204 CB SER A 14 81.402 5.139 2.626 1.00 0.00 C ATOM 205 OG SER A 14 80.590 6.265 2.928 1.00 0.00 O ATOM 0 H SER A 14 83.420 4.283 1.106 1.00 0.00 H new ATOM 0 HA SER A 14 80.412 4.499 0.797 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.038 4.260 3.158 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.425 5.313 2.961 1.00 0.00 H new ATOM 0 HG SER A 14 80.602 6.427 3.894 1.00 0.00 H new ATOM 211 N ILE A 15 80.595 6.774 -0.183 1.00 0.00 N ATOM 212 CA ILE A 15 80.790 7.956 -1.070 1.00 0.00 C ATOM 213 C ILE A 15 80.028 9.156 -0.517 1.00 0.00 C ATOM 214 O ILE A 15 78.819 9.116 -0.366 1.00 0.00 O ATOM 215 CB ILE A 15 80.227 7.551 -2.449 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.781 6.180 -2.915 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.612 8.617 -3.475 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.314 6.152 -2.855 1.00 0.00 C ATOM 0 H ILE A 15 79.625 6.491 -0.044 1.00 0.00 H new ATOM 0 HA ILE A 15 81.840 8.239 -1.138 1.00 0.00 H new ATOM 0 HB ILE A 15 79.144 7.467 -2.362 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.375 5.388 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.450 5.978 -3.934 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.219 8.340 -4.453 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.194 9.578 -3.175 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.698 8.694 -3.529 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.673 5.178 -3.188 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.718 6.929 -3.504 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.641 6.329 -1.830 1.00 0.00 H new ATOM 230 N ALA A 16 80.729 10.219 -0.217 1.00 0.00 N ATOM 231 CA ALA A 16 80.055 11.470 0.229 1.00 0.00 C ATOM 232 C ALA A 16 79.884 12.405 -0.965 1.00 0.00 C ATOM 233 O ALA A 16 80.846 12.946 -1.481 1.00 0.00 O ATOM 234 CB ALA A 16 80.993 12.083 1.268 1.00 0.00 C ATOM 0 H ALA A 16 81.747 10.272 -0.263 1.00 0.00 H new ATOM 0 HA ALA A 16 79.064 11.290 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.563 13.011 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.127 11.385 2.094 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.959 12.291 0.808 1.00 0.00 H new ATOM 240 N CYS A 17 78.669 12.590 -1.409 1.00 0.00 N ATOM 241 CA CYS A 17 78.401 13.513 -2.551 1.00 0.00 C ATOM 242 C CYS A 17 78.035 14.896 -2.011 1.00 0.00 C ATOM 243 O CYS A 17 77.761 15.051 -0.834 1.00 0.00 O ATOM 244 CB CYS A 17 77.219 12.909 -3.318 1.00 0.00 C ATOM 245 SG CYS A 17 77.608 11.219 -3.859 1.00 0.00 S ATOM 0 H CYS A 17 77.841 12.135 -1.024 1.00 0.00 H new ATOM 0 HA CYS A 17 79.271 13.626 -3.198 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.333 12.899 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.984 13.529 -4.183 1.00 0.00 H new ATOM 0 HG CYS A 17 76.593 10.726 -4.504 1.00 0.00 H new ATOM 251 N ASP A 18 78.025 15.899 -2.855 1.00 0.00 N ATOM 252 CA ASP A 18 77.723 17.289 -2.377 1.00 0.00 C ATOM 253 C ASP A 18 76.335 17.329 -1.719 1.00 0.00 C ATOM 254 O ASP A 18 75.571 16.388 -1.810 1.00 0.00 O ATOM 255 CB ASP A 18 77.769 18.178 -3.623 1.00 0.00 C ATOM 256 CG ASP A 18 79.180 18.171 -4.220 1.00 0.00 C ATOM 257 OD1 ASP A 18 80.126 18.003 -3.465 1.00 0.00 O ATOM 258 OD2 ASP A 18 79.292 18.333 -5.424 1.00 0.00 O ATOM 0 H ASP A 18 78.213 15.817 -3.854 1.00 0.00 H new ATOM 0 HA ASP A 18 78.438 17.629 -1.628 1.00 0.00 H new ATOM 0 HB2 ASP A 18 77.051 17.821 -4.361 1.00 0.00 H new ATOM 0 HB3 ASP A 18 77.480 19.197 -3.364 1.00 0.00 H new ATOM 263 N GLU A 19 76.014 18.413 -1.062 1.00 0.00 N ATOM 264 CA GLU A 19 74.845 18.416 -0.116 1.00 0.00 C ATOM 265 C GLU A 19 73.556 17.944 -0.802 1.00 0.00 C ATOM 266 O GLU A 19 72.725 17.303 -0.183 1.00 0.00 O ATOM 267 CB GLU A 19 74.696 19.872 0.335 1.00 0.00 C ATOM 268 CG GLU A 19 75.930 20.288 1.146 1.00 0.00 C ATOM 269 CD GLU A 19 75.770 21.725 1.668 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.951 22.456 1.131 1.00 0.00 O ATOM 271 OE2 GLU A 19 76.474 22.069 2.603 1.00 0.00 O ATOM 0 H GLU A 19 76.509 19.302 -1.136 1.00 0.00 H new ATOM 0 HA GLU A 19 75.015 17.733 0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 19 74.582 20.522 -0.532 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.796 19.986 0.939 1.00 0.00 H new ATOM 0 HG2 GLU A 19 76.070 19.604 1.983 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.822 20.218 0.524 1.00 0.00 H new ATOM 278 N VAL A 20 73.385 18.250 -2.064 1.00 0.00 N ATOM 279 CA VAL A 20 72.111 17.880 -2.764 1.00 0.00 C ATOM 280 C VAL A 20 72.088 16.373 -3.069 1.00 0.00 C ATOM 281 O VAL A 20 71.033 15.779 -3.198 1.00 0.00 O ATOM 282 CB VAL A 20 72.107 18.704 -4.060 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.843 18.399 -4.871 1.00 0.00 C ATOM 284 CG2 VAL A 20 72.135 20.196 -3.716 1.00 0.00 C ATOM 0 H VAL A 20 74.069 18.739 -2.641 1.00 0.00 H new ATOM 0 HA VAL A 20 71.231 18.088 -2.155 1.00 0.00 H new ATOM 0 HB VAL A 20 72.986 18.443 -4.650 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.848 18.988 -5.788 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.818 17.338 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.962 18.654 -4.282 1.00 0.00 H new ATOM 0 HG21 VAL A 20 72.132 20.781 -4.635 1.00 0.00 H new ATOM 0 HG22 VAL A 20 71.257 20.449 -3.122 1.00 0.00 H new ATOM 0 HG23 VAL A 20 73.036 20.421 -3.145 1.00 0.00 H new ATOM 294 N LEU A 21 73.240 15.757 -3.186 1.00 0.00 N ATOM 295 CA LEU A 21 73.295 14.301 -3.522 1.00 0.00 C ATOM 296 C LEU A 21 73.303 13.424 -2.257 1.00 0.00 C ATOM 297 O LEU A 21 73.085 12.228 -2.333 1.00 0.00 O ATOM 298 CB LEU A 21 74.604 14.149 -4.289 1.00 0.00 C ATOM 299 CG LEU A 21 74.515 14.909 -5.614 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.873 14.872 -6.315 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.464 14.250 -6.512 1.00 0.00 C ATOM 0 H LEU A 21 74.149 16.204 -3.062 1.00 0.00 H new ATOM 0 HA LEU A 21 72.424 13.981 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.433 14.532 -3.693 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.807 13.095 -4.476 1.00 0.00 H new ATOM 0 HG LEU A 21 74.232 15.943 -5.419 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.810 15.413 -7.259 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.624 15.339 -5.678 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.155 13.837 -6.508 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.401 14.792 -7.456 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.748 13.216 -6.705 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.494 14.273 -6.015 1.00 0.00 H new ATOM 313 N GLY A 22 73.550 14.003 -1.101 1.00 0.00 N ATOM 314 CA GLY A 22 73.569 13.200 0.161 1.00 0.00 C ATOM 315 C GLY A 22 74.712 12.181 0.126 1.00 0.00 C ATOM 316 O GLY A 22 75.711 12.375 -0.544 1.00 0.00 O ATOM 0 H GLY A 22 73.739 14.998 -0.981 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.689 13.861 1.019 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.617 12.684 0.286 1.00 0.00 H new ATOM 320 N VAL A 23 74.571 11.094 0.846 1.00 0.00 N ATOM 321 CA VAL A 23 75.683 10.092 0.937 1.00 0.00 C ATOM 322 C VAL A 23 75.137 8.679 0.726 1.00 0.00 C ATOM 323 O VAL A 23 74.064 8.350 1.201 1.00 0.00 O ATOM 324 CB VAL A 23 76.251 10.225 2.358 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.456 9.290 2.519 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.693 11.670 2.615 1.00 0.00 C ATOM 0 H VAL A 23 73.733 10.856 1.376 1.00 0.00 H new ATOM 0 HA VAL A 23 76.445 10.269 0.178 1.00 0.00 H new ATOM 0 HB VAL A 23 75.477 9.954 3.075 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.858 9.385 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.143 8.260 2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.225 9.559 1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.094 11.754 3.625 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.462 11.949 1.895 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.837 12.337 2.508 1.00 0.00 H new ATOM 336 N PHE A 24 75.867 7.845 0.024 1.00 0.00 N ATOM 337 CA PHE A 24 75.464 6.410 -0.090 1.00 0.00 C ATOM 338 C PHE A 24 76.659 5.496 0.207 1.00 0.00 C ATOM 339 O PHE A 24 77.798 5.906 0.126 1.00 0.00 O ATOM 340 CB PHE A 24 74.975 6.206 -1.531 1.00 0.00 C ATOM 341 CG PHE A 24 76.053 6.334 -2.587 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.809 5.175 -2.964 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.335 7.603 -3.196 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.842 5.280 -3.955 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.370 7.708 -4.185 1.00 0.00 C ATOM 346 CZ PHE A 24 78.121 6.547 -4.566 1.00 0.00 C ATOM 0 H PHE A 24 76.722 8.096 -0.473 1.00 0.00 H new ATOM 0 HA PHE A 24 74.681 6.162 0.627 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.522 5.218 -1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.191 6.933 -1.741 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.601 4.222 -2.501 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.769 8.477 -2.910 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.408 4.406 -4.240 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.584 8.663 -4.643 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.897 6.627 -5.313 1.00 0.00 H new ATOM 356 N GLN A 25 76.393 4.263 0.552 1.00 0.00 N ATOM 357 CA GLN A 25 77.493 3.281 0.790 1.00 0.00 C ATOM 358 C GLN A 25 77.126 1.938 0.152 1.00 0.00 C ATOM 359 O GLN A 25 75.967 1.562 0.115 1.00 0.00 O ATOM 360 CB GLN A 25 77.593 3.158 2.311 1.00 0.00 C ATOM 361 CG GLN A 25 77.967 4.520 2.905 1.00 0.00 C ATOM 362 CD GLN A 25 78.050 4.429 4.432 1.00 0.00 C ATOM 363 OE1 GLN A 25 78.045 3.351 4.998 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.122 5.530 5.131 1.00 0.00 N ATOM 0 H GLN A 25 75.452 3.891 0.680 1.00 0.00 H new ATOM 0 HA GLN A 25 78.442 3.593 0.354 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.643 2.817 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.343 2.413 2.579 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.924 4.850 2.501 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.225 5.266 2.618 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.126 6.434 4.659 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.174 5.485 6.149 1.00 0.00 H new ATOM 373 N GLY A 26 78.101 1.219 -0.353 1.00 0.00 N ATOM 374 CA GLY A 26 77.800 -0.052 -1.080 1.00 0.00 C ATOM 375 C GLY A 26 79.101 -0.741 -1.487 1.00 0.00 C ATOM 376 O GLY A 26 80.176 -0.174 -1.382 1.00 0.00 O ATOM 0 H GLY A 26 79.091 1.459 -0.292 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.212 -0.714 -0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.198 0.159 -1.964 1.00 0.00 H new ATOM 380 N LEU A 27 79.011 -1.966 -1.944 1.00 0.00 N ATOM 381 CA LEU A 27 80.206 -2.641 -2.534 1.00 0.00 C ATOM 382 C LEU A 27 80.279 -2.362 -4.037 1.00 0.00 C ATOM 383 O LEU A 27 79.290 -2.430 -4.743 1.00 0.00 O ATOM 384 CB LEU A 27 79.997 -4.133 -2.273 1.00 0.00 C ATOM 385 CG LEU A 27 80.130 -4.414 -0.776 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.591 -5.813 -0.469 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.608 -4.339 -0.373 1.00 0.00 C ATOM 0 H LEU A 27 78.160 -2.527 -1.933 1.00 0.00 H new ATOM 0 HA LEU A 27 81.138 -2.283 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 27 79.012 -4.440 -2.625 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.730 -4.716 -2.830 1.00 0.00 H new ATOM 0 HG LEU A 27 79.560 -3.673 -0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.686 -6.013 0.598 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.541 -5.870 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 27 80.161 -6.554 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.705 -4.539 0.694 1.00 0.00 H new ATOM 0 HD22 LEU A 27 82.176 -5.081 -0.934 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.995 -3.344 -0.592 1.00 0.00 H new ATOM 399 N ILE A 28 81.452 -2.050 -4.519 1.00 0.00 N ATOM 400 CA ILE A 28 81.613 -1.677 -5.962 1.00 0.00 C ATOM 401 C ILE A 28 81.349 -2.892 -6.862 1.00 0.00 C ATOM 402 O ILE A 28 81.784 -3.990 -6.580 1.00 0.00 O ATOM 403 CB ILE A 28 83.076 -1.210 -6.088 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.301 0.008 -5.180 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.396 -0.834 -7.543 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.783 0.393 -5.188 1.00 0.00 C ATOM 0 H ILE A 28 82.314 -2.036 -3.974 1.00 0.00 H new ATOM 0 HA ILE A 28 80.910 -0.903 -6.271 1.00 0.00 H new ATOM 0 HB ILE A 28 83.735 -2.024 -5.785 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.696 0.847 -5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.980 -0.220 -4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.433 -0.506 -7.614 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.245 -1.702 -8.185 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.738 -0.027 -7.863 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.938 1.258 -4.542 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.378 -0.444 -4.823 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.089 0.640 -6.205 1.00 0.00 H new ATOM 418 N LYS A 29 80.632 -2.691 -7.941 1.00 0.00 N ATOM 419 CA LYS A 29 80.473 -3.776 -8.958 1.00 0.00 C ATOM 420 C LYS A 29 81.309 -3.454 -10.200 1.00 0.00 C ATOM 421 O LYS A 29 81.792 -4.343 -10.878 1.00 0.00 O ATOM 422 CB LYS A 29 78.984 -3.793 -9.307 1.00 0.00 C ATOM 423 CG LYS A 29 78.705 -4.930 -10.292 1.00 0.00 C ATOM 424 CD LYS A 29 77.250 -4.859 -10.762 1.00 0.00 C ATOM 425 CE LYS A 29 76.930 -6.083 -11.623 1.00 0.00 C ATOM 426 NZ LYS A 29 76.656 -7.175 -10.650 1.00 0.00 N ATOM 0 H LYS A 29 80.149 -1.820 -8.161 1.00 0.00 H new ATOM 0 HA LYS A 29 80.809 -4.743 -8.582 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.389 -3.926 -8.403 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.691 -2.838 -9.744 1.00 0.00 H new ATOM 0 HG2 LYS A 29 79.377 -4.857 -11.147 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.897 -5.892 -9.816 1.00 0.00 H new ATOM 0 HD2 LYS A 29 76.581 -4.821 -9.902 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.086 -3.946 -11.334 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.068 -5.900 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 29 77.765 -6.336 -12.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.175 -8.031 -10.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 76.965 -6.881 -9.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 75.636 -7.378 -10.634 1.00 0.00 H new ATOM 440 N GLN A 30 81.480 -2.187 -10.500 1.00 0.00 N ATOM 441 CA GLN A 30 82.251 -1.796 -11.719 1.00 0.00 C ATOM 442 C GLN A 30 82.775 -0.368 -11.568 1.00 0.00 C ATOM 443 O GLN A 30 82.156 0.462 -10.929 1.00 0.00 O ATOM 444 CB GLN A 30 81.251 -1.887 -12.871 1.00 0.00 C ATOM 445 CG GLN A 30 81.969 -1.621 -14.196 1.00 0.00 C ATOM 446 CD GLN A 30 80.958 -1.658 -15.342 1.00 0.00 C ATOM 447 OE1 GLN A 30 80.171 -2.578 -15.444 1.00 0.00 O ATOM 448 NE2 GLN A 30 80.945 -0.689 -16.215 1.00 0.00 N ATOM 0 H GLN A 30 81.117 -1.408 -9.951 1.00 0.00 H new ATOM 0 HA GLN A 30 83.116 -2.437 -11.887 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.789 -2.874 -12.888 1.00 0.00 H new ATOM 0 HB3 GLN A 30 80.449 -1.162 -12.728 1.00 0.00 H new ATOM 0 HG2 GLN A 30 82.464 -0.650 -14.165 1.00 0.00 H new ATOM 0 HG3 GLN A 30 82.745 -2.369 -14.358 1.00 0.00 H new ATOM 0 HE21 GLN A 30 81.606 0.083 -16.129 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.274 -0.704 -16.983 1.00 0.00 H new ATOM 457 N ILE A 31 83.913 -0.080 -12.151 1.00 0.00 N ATOM 458 CA ILE A 31 84.516 1.281 -12.003 1.00 0.00 C ATOM 459 C ILE A 31 85.083 1.750 -13.345 1.00 0.00 C ATOM 460 O ILE A 31 85.703 0.993 -14.069 1.00 0.00 O ATOM 461 CB ILE A 31 85.630 1.136 -10.954 1.00 0.00 C ATOM 462 CG1 ILE A 31 85.025 0.642 -9.630 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.320 2.494 -10.732 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.133 0.417 -8.597 1.00 0.00 C ATOM 0 H ILE A 31 84.451 -0.730 -12.724 1.00 0.00 H new ATOM 0 HA ILE A 31 83.780 2.022 -11.691 1.00 0.00 H new ATOM 0 HB ILE A 31 86.367 0.416 -11.309 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.309 1.372 -9.253 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.477 -0.286 -9.795 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.108 2.384 -9.987 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.753 2.840 -11.671 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.588 3.221 -10.381 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.694 0.067 -7.663 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.833 -0.330 -8.971 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.662 1.354 -8.421 1.00 0.00 H new ATOM 476 N SER A 32 84.868 2.998 -13.672 1.00 0.00 N ATOM 477 CA SER A 32 85.479 3.581 -14.902 1.00 0.00 C ATOM 478 C SER A 32 85.803 5.055 -14.658 1.00 0.00 C ATOM 479 O SER A 32 85.235 5.685 -13.788 1.00 0.00 O ATOM 480 CB SER A 32 84.416 3.434 -15.989 1.00 0.00 C ATOM 481 OG SER A 32 83.297 4.249 -15.666 1.00 0.00 O ATOM 0 H SER A 32 84.290 3.643 -13.134 1.00 0.00 H new ATOM 0 HA SER A 32 86.408 3.085 -15.185 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.826 3.726 -16.956 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.109 2.392 -16.074 1.00 0.00 H new ATOM 0 HG SER A 32 82.540 4.007 -16.239 1.00 0.00 H new ATOM 487 N ALA A 33 86.704 5.609 -15.428 1.00 0.00 N ATOM 488 CA ALA A 33 87.218 6.989 -15.130 1.00 0.00 C ATOM 489 C ALA A 33 86.070 8.005 -15.041 1.00 0.00 C ATOM 490 O ALA A 33 86.202 9.037 -14.406 1.00 0.00 O ATOM 491 CB ALA A 33 88.141 7.338 -16.301 1.00 0.00 C ATOM 0 H ALA A 33 87.110 5.168 -16.253 1.00 0.00 H new ATOM 0 HA ALA A 33 87.734 7.020 -14.170 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.555 8.335 -16.153 1.00 0.00 H new ATOM 0 HB2 ALA A 33 88.952 6.612 -16.354 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.573 7.315 -17.231 1.00 0.00 H new ATOM 497 N GLU A 34 84.949 7.725 -15.666 1.00 0.00 N ATOM 498 CA GLU A 34 83.844 8.731 -15.723 1.00 0.00 C ATOM 499 C GLU A 34 82.855 8.534 -14.566 1.00 0.00 C ATOM 500 O GLU A 34 82.192 9.469 -14.152 1.00 0.00 O ATOM 501 CB GLU A 34 83.156 8.489 -17.066 1.00 0.00 C ATOM 502 CG GLU A 34 84.143 8.767 -18.206 1.00 0.00 C ATOM 503 CD GLU A 34 83.452 8.599 -19.569 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.410 7.962 -19.623 1.00 0.00 O ATOM 505 OE2 GLU A 34 83.982 9.114 -20.540 1.00 0.00 O ATOM 0 H GLU A 34 84.754 6.842 -16.138 1.00 0.00 H new ATOM 0 HA GLU A 34 84.222 9.749 -15.631 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.799 7.461 -17.123 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.283 9.135 -17.161 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.538 9.779 -18.114 1.00 0.00 H new ATOM 0 HG3 GLU A 34 84.991 8.086 -18.135 1.00 0.00 H new ATOM 512 N GLU A 35 82.749 7.334 -14.041 1.00 0.00 N ATOM 513 CA GLU A 35 81.676 7.046 -13.036 1.00 0.00 C ATOM 514 C GLU A 35 82.055 5.854 -12.146 1.00 0.00 C ATOM 515 O GLU A 35 82.849 5.013 -12.521 1.00 0.00 O ATOM 516 CB GLU A 35 80.423 6.737 -13.865 1.00 0.00 C ATOM 517 CG GLU A 35 80.677 5.530 -14.775 1.00 0.00 C ATOM 518 CD GLU A 35 79.468 5.313 -15.686 1.00 0.00 C ATOM 519 OE1 GLU A 35 79.061 6.264 -16.334 1.00 0.00 O ATOM 520 OE2 GLU A 35 78.969 4.200 -15.721 1.00 0.00 O ATOM 0 H GLU A 35 83.357 6.546 -14.264 1.00 0.00 H new ATOM 0 HA GLU A 35 81.520 7.887 -12.360 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.581 6.533 -13.203 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.152 7.605 -14.466 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.572 5.695 -15.375 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.857 4.639 -14.173 1.00 0.00 H new ATOM 527 N ILE A 36 81.487 5.786 -10.969 1.00 0.00 N ATOM 528 CA ILE A 36 81.644 4.570 -10.110 1.00 0.00 C ATOM 529 C ILE A 36 80.286 3.876 -9.955 1.00 0.00 C ATOM 530 O ILE A 36 79.272 4.531 -9.786 1.00 0.00 O ATOM 531 CB ILE A 36 82.133 5.093 -8.751 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.436 5.901 -8.919 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.379 3.912 -7.806 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.533 5.030 -9.542 1.00 0.00 C ATOM 0 H ILE A 36 80.916 6.527 -10.562 1.00 0.00 H new ATOM 0 HA ILE A 36 82.339 3.846 -10.536 1.00 0.00 H new ATOM 0 HB ILE A 36 81.368 5.747 -8.331 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.252 6.771 -9.550 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.767 6.274 -7.950 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.726 4.284 -6.842 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.451 3.357 -7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.135 3.254 -8.235 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.445 5.617 -9.653 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.729 4.174 -8.896 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.207 4.679 -10.521 1.00 0.00 H new ATOM 546 N THR A 37 80.255 2.563 -10.009 1.00 0.00 N ATOM 547 CA THR A 37 78.949 1.835 -9.929 1.00 0.00 C ATOM 548 C THR A 37 78.977 0.810 -8.787 1.00 0.00 C ATOM 549 O THR A 37 79.905 0.030 -8.670 1.00 0.00 O ATOM 550 CB THR A 37 78.810 1.129 -11.277 1.00 0.00 C ATOM 551 OG1 THR A 37 78.923 2.084 -12.324 1.00 0.00 O ATOM 552 CG2 THR A 37 77.447 0.441 -11.358 1.00 0.00 C ATOM 0 H THR A 37 81.077 1.967 -10.105 1.00 0.00 H new ATOM 0 HA THR A 37 78.114 2.507 -9.729 1.00 0.00 H new ATOM 0 HB THR A 37 79.597 0.382 -11.378 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.836 1.632 -13.189 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.350 -0.062 -12.320 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.361 -0.291 -10.555 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.657 1.185 -11.256 1.00 0.00 H new ATOM 560 N ILE A 38 77.962 0.804 -7.954 1.00 0.00 N ATOM 561 CA ILE A 38 77.929 -0.144 -6.789 1.00 0.00 C ATOM 562 C ILE A 38 76.548 -0.803 -6.677 1.00 0.00 C ATOM 563 O ILE A 38 75.615 -0.433 -7.363 1.00 0.00 O ATOM 564 CB ILE A 38 78.206 0.692 -5.529 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.208 1.854 -5.455 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.640 1.235 -5.557 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.942 2.217 -3.995 1.00 0.00 C ATOM 0 H ILE A 38 77.151 1.417 -8.030 1.00 0.00 H new ATOM 0 HA ILE A 38 78.669 -0.934 -6.913 1.00 0.00 H new ATOM 0 HB ILE A 38 78.090 0.059 -4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.603 2.719 -5.988 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.275 1.576 -5.946 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.823 1.825 -4.659 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.343 0.403 -5.594 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.774 1.863 -6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.232 3.043 -3.949 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.528 1.353 -3.475 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.876 2.514 -3.518 1.00 0.00 H new ATOM 579 N VAL A 39 76.421 -1.774 -5.806 1.00 0.00 N ATOM 580 CA VAL A 39 75.130 -2.527 -5.676 1.00 0.00 C ATOM 581 C VAL A 39 74.657 -2.546 -4.216 1.00 0.00 C ATOM 582 O VAL A 39 75.413 -2.267 -3.308 1.00 0.00 O ATOM 583 CB VAL A 39 75.423 -3.944 -6.172 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.835 -3.885 -7.642 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.556 -4.567 -5.347 1.00 0.00 C ATOM 0 H VAL A 39 77.161 -2.081 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 39 74.333 -2.059 -6.255 1.00 0.00 H new ATOM 0 HB VAL A 39 74.528 -4.556 -6.062 1.00 0.00 H new ATOM 0 HG11 VAL A 39 76.045 -4.892 -8.002 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.026 -3.451 -8.230 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.728 -3.269 -7.745 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.757 -5.576 -5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.456 -3.960 -5.447 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.262 -4.609 -4.298 1.00 0.00 H new ATOM 595 N ARG A 40 73.400 -2.870 -3.997 1.00 0.00 N ATOM 596 CA ARG A 40 72.800 -2.796 -2.620 1.00 0.00 C ATOM 597 C ARG A 40 72.945 -1.379 -2.060 1.00 0.00 C ATOM 598 O ARG A 40 73.662 -1.143 -1.106 1.00 0.00 O ATOM 599 CB ARG A 40 73.558 -3.812 -1.752 1.00 0.00 C ATOM 600 CG ARG A 40 73.435 -5.207 -2.371 1.00 0.00 C ATOM 601 CD ARG A 40 71.978 -5.673 -2.294 1.00 0.00 C ATOM 602 NE ARG A 40 71.989 -7.081 -2.804 1.00 0.00 N ATOM 603 CZ ARG A 40 71.017 -7.932 -2.518 1.00 0.00 C ATOM 604 NH1 ARG A 40 69.989 -7.590 -1.771 1.00 0.00 N ATOM 605 NH2 ARG A 40 71.079 -9.146 -2.992 1.00 0.00 N ATOM 0 H ARG A 40 72.757 -3.186 -4.723 1.00 0.00 H new ATOM 0 HA ARG A 40 71.735 -3.028 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.608 -3.528 -1.675 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.153 -3.815 -0.740 1.00 0.00 H new ATOM 0 HG2 ARG A 40 73.767 -5.187 -3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 40 74.081 -5.909 -1.843 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.603 -5.627 -1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.329 -5.040 -2.899 1.00 0.00 H new ATOM 0 HE ARG A 40 72.766 -7.392 -3.387 1.00 0.00 H new ATOM 0 HH11 ARG A 40 69.925 -6.645 -1.394 1.00 0.00 H new ATOM 0 HH12 ARG A 40 69.256 -8.270 -1.569 1.00 0.00 H new ATOM 0 HH21 ARG A 40 71.869 -9.427 -3.574 1.00 0.00 H new ATOM 0 HH22 ARG A 40 70.338 -9.814 -2.781 1.00 0.00 H new ATOM 619 N ALA A 41 72.258 -0.442 -2.661 1.00 0.00 N ATOM 620 CA ALA A 41 72.432 0.996 -2.280 1.00 0.00 C ATOM 621 C ALA A 41 71.886 1.273 -0.875 1.00 0.00 C ATOM 622 O ALA A 41 70.723 1.043 -0.586 1.00 0.00 O ATOM 623 CB ALA A 41 71.627 1.782 -3.316 1.00 0.00 C ATOM 0 H ALA A 41 71.580 -0.610 -3.404 1.00 0.00 H new ATOM 0 HA ALA A 41 73.485 1.276 -2.264 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.705 2.848 -3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 41 72.021 1.580 -4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.581 1.478 -3.271 1.00 0.00 H new ATOM 629 N PHE A 42 72.724 1.768 -0.004 1.00 0.00 N ATOM 630 CA PHE A 42 72.233 2.328 1.290 1.00 0.00 C ATOM 631 C PHE A 42 72.502 3.832 1.321 1.00 0.00 C ATOM 632 O PHE A 42 73.599 4.270 1.034 1.00 0.00 O ATOM 633 CB PHE A 42 73.033 1.607 2.379 1.00 0.00 C ATOM 634 CG PHE A 42 72.386 0.332 2.881 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.467 -0.885 2.117 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.688 0.341 4.135 1.00 0.00 C ATOM 637 CE1 PHE A 42 71.851 -2.083 2.609 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.073 -0.858 4.626 1.00 0.00 C ATOM 639 CZ PHE A 42 71.154 -2.070 3.863 1.00 0.00 C ATOM 0 H PHE A 42 73.735 1.809 -0.134 1.00 0.00 H new ATOM 0 HA PHE A 42 71.162 2.184 1.431 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.024 1.370 1.990 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.174 2.286 3.220 1.00 0.00 H new ATOM 0 HD1 PHE A 42 72.992 -0.896 1.173 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.626 1.253 4.710 1.00 0.00 H new ATOM 0 HE1 PHE A 42 71.912 -2.996 2.035 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.549 -0.848 5.570 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.690 -2.973 4.232 1.00 0.00 H new ATOM 649 N ARG A 43 71.517 4.623 1.666 1.00 0.00 N ATOM 650 CA ARG A 43 71.690 6.108 1.628 1.00 0.00 C ATOM 651 C ARG A 43 71.127 6.737 2.901 1.00 0.00 C ATOM 652 O ARG A 43 70.149 6.274 3.452 1.00 0.00 O ATOM 653 CB ARG A 43 70.897 6.573 0.405 1.00 0.00 C ATOM 654 CG ARG A 43 71.511 5.970 -0.859 1.00 0.00 C ATOM 655 CD ARG A 43 70.854 6.591 -2.095 1.00 0.00 C ATOM 656 NE ARG A 43 71.341 8.007 -2.128 1.00 0.00 N ATOM 657 CZ ARG A 43 70.695 8.950 -2.794 1.00 0.00 C ATOM 658 NH1 ARG A 43 69.591 8.699 -3.465 1.00 0.00 N ATOM 659 NH2 ARG A 43 71.168 10.166 -2.786 1.00 0.00 N ATOM 0 H ARG A 43 70.598 4.304 1.973 1.00 0.00 H new ATOM 0 HA ARG A 43 72.739 6.398 1.566 1.00 0.00 H new ATOM 0 HB2 ARG A 43 69.854 6.269 0.497 1.00 0.00 H new ATOM 0 HB3 ARG A 43 70.907 7.661 0.344 1.00 0.00 H new ATOM 0 HG2 ARG A 43 72.586 6.152 -0.876 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.370 4.889 -0.864 1.00 0.00 H new ATOM 0 HD2 ARG A 43 71.136 6.056 -3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 43 69.767 6.550 -2.026 1.00 0.00 H new ATOM 0 HE ARG A 43 72.193 8.251 -1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 43 69.208 7.754 -3.482 1.00 0.00 H new ATOM 0 HH12 ARG A 43 69.118 9.450 -3.968 1.00 0.00 H new ATOM 0 HH21 ARG A 43 72.023 10.377 -2.272 1.00 0.00 H new ATOM 0 HH22 ARG A 43 70.683 10.905 -3.294 1.00 0.00 H new ATOM 673 N ASN A 44 71.745 7.794 3.376 1.00 0.00 N ATOM 674 CA ASN A 44 71.247 8.491 4.613 1.00 0.00 C ATOM 675 C ASN A 44 71.066 7.497 5.773 1.00 0.00 C ATOM 676 O ASN A 44 70.112 7.575 6.525 1.00 0.00 O ATOM 677 CB ASN A 44 69.901 9.116 4.225 1.00 0.00 C ATOM 678 CG ASN A 44 70.093 10.079 3.048 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.315 10.075 2.114 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.101 10.909 3.050 1.00 0.00 N ATOM 0 H ASN A 44 72.579 8.208 2.959 1.00 0.00 H new ATOM 0 HA ASN A 44 71.958 9.242 4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.192 8.334 3.954 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.478 9.649 5.077 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.234 11.552 2.269 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.755 10.915 3.832 1.00 0.00 H new ATOM 687 N GLY A 45 71.979 6.569 5.914 1.00 0.00 N ATOM 688 CA GLY A 45 71.935 5.623 7.071 1.00 0.00 C ATOM 689 C GLY A 45 70.653 4.779 7.047 1.00 0.00 C ATOM 690 O GLY A 45 70.235 4.261 8.067 1.00 0.00 O ATOM 0 H GLY A 45 72.759 6.425 5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.806 4.968 7.042 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.988 6.183 8.005 1.00 0.00 H new ATOM 694 N VAL A 46 70.027 4.637 5.901 1.00 0.00 N ATOM 695 CA VAL A 46 68.851 3.719 5.790 1.00 0.00 C ATOM 696 C VAL A 46 68.852 3.026 4.409 1.00 0.00 C ATOM 697 O VAL A 46 69.357 3.579 3.455 1.00 0.00 O ATOM 698 CB VAL A 46 67.626 4.627 5.975 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.329 3.844 5.732 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.621 5.154 7.409 1.00 0.00 C ATOM 0 H VAL A 46 70.281 5.118 5.038 1.00 0.00 H new ATOM 0 HA VAL A 46 68.862 2.919 6.530 1.00 0.00 H new ATOM 0 HB VAL A 46 67.681 5.447 5.259 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.474 4.506 5.868 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.326 3.452 4.715 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.265 3.018 6.440 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.756 5.801 7.556 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.570 4.316 8.104 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.534 5.721 7.591 1.00 0.00 H new ATOM 710 N PRO A 47 68.286 1.832 4.337 1.00 0.00 N ATOM 711 CA PRO A 47 68.313 1.070 3.063 1.00 0.00 C ATOM 712 C PRO A 47 67.329 1.680 2.060 1.00 0.00 C ATOM 713 O PRO A 47 66.269 2.149 2.435 1.00 0.00 O ATOM 714 CB PRO A 47 67.878 -0.350 3.456 1.00 0.00 C ATOM 715 CG PRO A 47 67.704 -0.345 4.948 1.00 0.00 C ATOM 716 CD PRO A 47 67.580 1.086 5.388 1.00 0.00 C ATOM 0 HA PRO A 47 69.293 1.083 2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 47 66.948 -0.623 2.958 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.627 -1.082 3.155 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.816 -0.911 5.232 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.555 -0.822 5.434 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.537 1.393 5.466 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.033 1.246 6.366 1.00 0.00 H new ATOM 724 N LEU A 48 67.669 1.677 0.791 1.00 0.00 N ATOM 725 CA LEU A 48 66.692 2.129 -0.248 1.00 0.00 C ATOM 726 C LEU A 48 65.670 1.024 -0.528 1.00 0.00 C ATOM 727 O LEU A 48 65.962 -0.149 -0.399 1.00 0.00 O ATOM 728 CB LEU A 48 67.529 2.423 -1.498 1.00 0.00 C ATOM 729 CG LEU A 48 68.534 3.548 -1.205 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.422 3.792 -2.441 1.00 0.00 C ATOM 731 CD2 LEU A 48 67.777 4.837 -0.850 1.00 0.00 C ATOM 0 H LEU A 48 68.577 1.382 0.433 1.00 0.00 H new ATOM 0 HA LEU A 48 66.131 3.007 0.073 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.059 1.523 -1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.877 2.712 -2.322 1.00 0.00 H new ATOM 0 HG LEU A 48 69.164 3.255 -0.365 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.132 4.591 -2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 48 69.965 2.879 -2.685 1.00 0.00 H new ATOM 0 HD13 LEU A 48 68.797 4.079 -3.287 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.492 5.633 -0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.142 5.128 -1.687 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.159 4.665 0.032 1.00 0.00 H new ATOM 743 N ARG A 49 64.473 1.398 -0.911 1.00 0.00 N ATOM 744 CA ARG A 49 63.391 0.381 -1.135 1.00 0.00 C ATOM 745 C ARG A 49 63.830 -0.657 -2.175 1.00 0.00 C ATOM 746 O ARG A 49 63.487 -1.822 -2.079 1.00 0.00 O ATOM 747 CB ARG A 49 62.187 1.174 -1.650 1.00 0.00 C ATOM 748 CG ARG A 49 61.701 2.130 -0.558 1.00 0.00 C ATOM 749 CD ARG A 49 60.429 2.844 -1.026 1.00 0.00 C ATOM 750 NE ARG A 49 60.828 3.595 -2.260 1.00 0.00 N ATOM 751 CZ ARG A 49 59.937 3.992 -3.153 1.00 0.00 C ATOM 752 NH1 ARG A 49 58.652 3.748 -3.011 1.00 0.00 N ATOM 753 NH2 ARG A 49 60.345 4.643 -4.207 1.00 0.00 N ATOM 0 H ARG A 49 64.196 2.365 -1.079 1.00 0.00 H new ATOM 0 HA ARG A 49 63.158 -0.166 -0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.462 1.735 -2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 49 61.385 0.493 -1.936 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.503 1.578 0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 49 62.477 2.861 -0.329 1.00 0.00 H new ATOM 0 HD2 ARG A 49 59.633 2.130 -1.240 1.00 0.00 H new ATOM 0 HD3 ARG A 49 60.053 3.520 -0.259 1.00 0.00 H new ATOM 0 HE ARG A 49 61.814 3.806 -2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 49 58.317 3.239 -2.193 1.00 0.00 H new ATOM 0 HH12 ARG A 49 57.991 4.068 -3.719 1.00 0.00 H new ATOM 0 HH21 ARG A 49 61.338 4.839 -4.333 1.00 0.00 H new ATOM 0 HH22 ARG A 49 59.671 4.956 -4.905 1.00 0.00 H new ATOM 767 N LYS A 50 64.585 -0.241 -3.163 1.00 0.00 N ATOM 768 CA LYS A 50 65.064 -1.200 -4.205 1.00 0.00 C ATOM 769 C LYS A 50 66.422 -1.780 -3.803 1.00 0.00 C ATOM 770 O LYS A 50 67.459 -1.220 -4.107 1.00 0.00 O ATOM 771 CB LYS A 50 65.192 -0.366 -5.481 1.00 0.00 C ATOM 772 CG LYS A 50 63.813 0.155 -5.891 1.00 0.00 C ATOM 773 CD LYS A 50 63.923 0.890 -7.228 1.00 0.00 C ATOM 774 CE LYS A 50 62.574 1.524 -7.576 1.00 0.00 C ATOM 775 NZ LYS A 50 62.915 2.793 -8.276 1.00 0.00 N ATOM 0 H LYS A 50 64.890 0.724 -3.292 1.00 0.00 H new ATOM 0 HA LYS A 50 64.385 -2.043 -4.336 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.873 0.469 -5.316 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.617 -0.971 -6.282 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.110 -0.674 -5.976 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.424 0.826 -5.126 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.694 1.659 -7.170 1.00 0.00 H new ATOM 0 HD3 LYS A 50 64.224 0.196 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 50 61.982 0.868 -8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 50 61.984 1.714 -6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 62.040 3.286 -8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 63.473 3.400 -7.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 63.471 2.580 -9.129 1.00 0.00 H new ATOM 789 N GLN A 51 66.418 -2.900 -3.122 1.00 0.00 N ATOM 790 CA GLN A 51 67.706 -3.533 -2.694 1.00 0.00 C ATOM 791 C GLN A 51 68.537 -3.924 -3.918 1.00 0.00 C ATOM 792 O GLN A 51 69.751 -3.834 -3.907 1.00 0.00 O ATOM 793 CB GLN A 51 67.305 -4.781 -1.902 1.00 0.00 C ATOM 794 CG GLN A 51 66.554 -4.364 -0.634 1.00 0.00 C ATOM 795 CD GLN A 51 66.105 -5.609 0.135 1.00 0.00 C ATOM 796 OE1 GLN A 51 66.001 -6.683 -0.425 1.00 0.00 O ATOM 797 NE2 GLN A 51 65.832 -5.510 1.408 1.00 0.00 N ATOM 0 H GLN A 51 65.577 -3.405 -2.843 1.00 0.00 H new ATOM 0 HA GLN A 51 68.314 -2.853 -2.097 1.00 0.00 H new ATOM 0 HB2 GLN A 51 66.675 -5.426 -2.514 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.192 -5.358 -1.639 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.197 -3.749 -0.005 1.00 0.00 H new ATOM 0 HG3 GLN A 51 65.689 -3.755 -0.896 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.919 -4.610 1.880 1.00 0.00 H new ATOM 0 HE22 GLN A 51 65.532 -6.333 1.931 1.00 0.00 H new ATOM 806 N ASN A 52 67.887 -4.354 -4.972 1.00 0.00 N ATOM 807 CA ASN A 52 68.630 -4.809 -6.189 1.00 0.00 C ATOM 808 C ASN A 52 68.957 -3.635 -7.132 1.00 0.00 C ATOM 809 O ASN A 52 69.528 -3.838 -8.190 1.00 0.00 O ATOM 810 CB ASN A 52 67.690 -5.815 -6.869 1.00 0.00 C ATOM 811 CG ASN A 52 66.385 -5.127 -7.287 1.00 0.00 C ATOM 812 OD1 ASN A 52 66.066 -4.057 -6.806 1.00 0.00 O ATOM 813 ND2 ASN A 52 65.612 -5.700 -8.168 1.00 0.00 N ATOM 0 H ASN A 52 66.871 -4.410 -5.042 1.00 0.00 H new ATOM 0 HA ASN A 52 69.592 -5.250 -5.930 1.00 0.00 H new ATOM 0 HB2 ASN A 52 68.178 -6.245 -7.743 1.00 0.00 H new ATOM 0 HB3 ASN A 52 67.473 -6.638 -6.188 1.00 0.00 H new ATOM 0 HD21 ASN A 52 64.742 -5.250 -8.452 1.00 0.00 H new ATOM 0 HD22 ASN A 52 65.878 -6.598 -8.573 1.00 0.00 H new ATOM 820 N ALA A 53 68.607 -2.418 -6.767 1.00 0.00 N ATOM 821 CA ALA A 53 68.875 -1.254 -7.674 1.00 0.00 C ATOM 822 C ALA A 53 70.361 -0.890 -7.643 1.00 0.00 C ATOM 823 O ALA A 53 70.974 -0.838 -6.592 1.00 0.00 O ATOM 824 CB ALA A 53 68.030 -0.106 -7.118 1.00 0.00 C ATOM 0 H ALA A 53 68.150 -2.184 -5.885 1.00 0.00 H new ATOM 0 HA ALA A 53 68.623 -1.476 -8.711 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.175 0.783 -7.732 1.00 0.00 H new ATOM 0 HB2 ALA A 53 66.978 -0.389 -7.132 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.335 0.107 -6.094 1.00 0.00 H new ATOM 830 N GLU A 54 70.939 -0.639 -8.791 1.00 0.00 N ATOM 831 CA GLU A 54 72.378 -0.234 -8.844 1.00 0.00 C ATOM 832 C GLU A 54 72.510 1.296 -8.765 1.00 0.00 C ATOM 833 O GLU A 54 71.694 2.023 -9.303 1.00 0.00 O ATOM 834 CB GLU A 54 72.909 -0.780 -10.188 1.00 0.00 C ATOM 835 CG GLU A 54 72.262 -0.055 -11.385 1.00 0.00 C ATOM 836 CD GLU A 54 72.779 -0.651 -12.700 1.00 0.00 C ATOM 837 OE1 GLU A 54 73.875 -1.190 -12.703 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.065 -0.559 -13.685 1.00 0.00 O ATOM 0 H GLU A 54 70.475 -0.697 -9.697 1.00 0.00 H new ATOM 0 HA GLU A 54 72.949 -0.631 -8.005 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.991 -0.659 -10.229 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.705 -1.849 -10.254 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.177 -0.149 -11.335 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.492 1.010 -11.343 1.00 0.00 H new ATOM 845 N VAL A 55 73.528 1.780 -8.097 1.00 0.00 N ATOM 846 CA VAL A 55 73.773 3.257 -8.050 1.00 0.00 C ATOM 847 C VAL A 55 74.951 3.605 -8.959 1.00 0.00 C ATOM 848 O VAL A 55 76.028 3.058 -8.812 1.00 0.00 O ATOM 849 CB VAL A 55 74.125 3.566 -6.587 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.379 5.069 -6.414 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.968 3.146 -5.676 1.00 0.00 C ATOM 0 H VAL A 55 74.202 1.215 -7.581 1.00 0.00 H new ATOM 0 HA VAL A 55 72.910 3.832 -8.386 1.00 0.00 H new ATOM 0 HB VAL A 55 75.025 3.012 -6.318 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.628 5.279 -5.374 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.207 5.374 -7.054 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.483 5.624 -6.692 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.222 3.367 -4.639 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.068 3.695 -5.954 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.789 2.076 -5.785 1.00 0.00 H new ATOM 861 N VAL A 56 74.753 4.502 -9.893 1.00 0.00 N ATOM 862 CA VAL A 56 75.890 4.950 -10.754 1.00 0.00 C ATOM 863 C VAL A 56 76.043 6.465 -10.653 1.00 0.00 C ATOM 864 O VAL A 56 75.190 7.215 -11.093 1.00 0.00 O ATOM 865 CB VAL A 56 75.544 4.536 -12.187 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.739 4.850 -13.084 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.254 3.031 -12.249 1.00 0.00 C ATOM 0 H VAL A 56 73.856 4.942 -10.096 1.00 0.00 H new ATOM 0 HA VAL A 56 76.833 4.500 -10.442 1.00 0.00 H new ATOM 0 HB VAL A 56 74.660 5.081 -12.519 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.510 4.561 -14.110 1.00 0.00 H new ATOM 0 HG12 VAL A 56 76.951 5.919 -13.047 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.610 4.295 -12.737 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.009 2.749 -13.273 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.134 2.477 -11.921 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.413 2.795 -11.597 1.00 0.00 H new ATOM 877 N LEU A 57 77.124 6.913 -10.078 1.00 0.00 N ATOM 878 CA LEU A 57 77.291 8.372 -9.810 1.00 0.00 C ATOM 879 C LEU A 57 78.635 8.865 -10.353 1.00 0.00 C ATOM 880 O LEU A 57 79.651 8.213 -10.199 1.00 0.00 O ATOM 881 CB LEU A 57 77.202 8.475 -8.289 1.00 0.00 C ATOM 882 CG LEU A 57 75.723 8.553 -7.893 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.517 7.924 -6.519 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.291 10.021 -7.835 1.00 0.00 C ATOM 0 H LEU A 57 77.905 6.329 -9.780 1.00 0.00 H new ATOM 0 HA LEU A 57 76.542 8.995 -10.299 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.674 7.610 -7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.736 9.358 -7.937 1.00 0.00 H new ATOM 0 HG LEU A 57 75.129 8.015 -8.632 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.464 7.984 -6.246 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.826 6.879 -6.547 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.114 8.459 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.240 10.080 -7.554 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.894 10.549 -7.097 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.431 10.480 -8.813 1.00 0.00 H new ATOM 896 N LYS A 58 78.641 10.011 -10.989 1.00 0.00 N ATOM 897 CA LYS A 58 79.899 10.523 -11.622 1.00 0.00 C ATOM 898 C LYS A 58 80.865 11.046 -10.555 1.00 0.00 C ATOM 899 O LYS A 58 80.459 11.652 -9.582 1.00 0.00 O ATOM 900 CB LYS A 58 79.451 11.666 -12.537 1.00 0.00 C ATOM 901 CG LYS A 58 78.564 11.111 -13.653 1.00 0.00 C ATOM 902 CD LYS A 58 78.213 12.233 -14.631 1.00 0.00 C ATOM 903 CE LYS A 58 77.230 11.707 -15.680 1.00 0.00 C ATOM 904 NZ LYS A 58 77.516 12.500 -16.906 1.00 0.00 N ATOM 0 H LYS A 58 77.827 10.616 -11.098 1.00 0.00 H new ATOM 0 HA LYS A 58 80.425 9.740 -12.169 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.904 12.413 -11.962 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.320 12.166 -12.964 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.080 10.306 -14.176 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.654 10.684 -13.231 1.00 0.00 H new ATOM 0 HD2 LYS A 58 77.773 13.073 -14.094 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.116 12.602 -15.117 1.00 0.00 H new ATOM 0 HE2 LYS A 58 77.374 10.641 -15.857 1.00 0.00 H new ATOM 0 HE3 LYS A 58 76.198 11.840 -15.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 76.881 12.197 -17.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 77.364 13.510 -16.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 78.503 12.348 -17.195 1.00 0.00 H new ATOM 918 N CYS A 59 82.143 10.811 -10.737 1.00 0.00 N ATOM 919 CA CYS A 59 83.166 11.348 -9.776 1.00 0.00 C ATOM 920 C CYS A 59 83.030 12.871 -9.626 1.00 0.00 C ATOM 921 O CYS A 59 83.294 13.425 -8.575 1.00 0.00 O ATOM 922 CB CYS A 59 84.533 10.982 -10.380 1.00 0.00 C ATOM 923 SG CYS A 59 84.714 11.700 -12.038 1.00 0.00 S ATOM 0 H CYS A 59 82.525 10.269 -11.512 1.00 0.00 H new ATOM 0 HA CYS A 59 83.039 10.926 -8.779 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.331 11.344 -9.732 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.634 9.898 -10.435 1.00 0.00 H new ATOM 0 HG CYS A 59 85.876 11.379 -12.525 1.00 0.00 H new ATOM 929 N THR A 60 82.620 13.542 -10.675 1.00 0.00 N ATOM 930 CA THR A 60 82.455 15.030 -10.607 1.00 0.00 C ATOM 931 C THR A 60 81.347 15.398 -9.615 1.00 0.00 C ATOM 932 O THR A 60 81.338 16.481 -9.059 1.00 0.00 O ATOM 933 CB THR A 60 82.069 15.469 -12.025 1.00 0.00 C ATOM 934 OG1 THR A 60 80.848 14.845 -12.396 1.00 0.00 O ATOM 935 CG2 THR A 60 83.171 15.068 -13.010 1.00 0.00 C ATOM 0 H THR A 60 82.392 13.124 -11.577 1.00 0.00 H new ATOM 0 HA THR A 60 83.367 15.522 -10.267 1.00 0.00 H new ATOM 0 HB THR A 60 81.947 16.552 -12.047 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.599 15.126 -13.301 1.00 0.00 H new ATOM 0 HG21 THR A 60 82.892 15.382 -14.016 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.106 15.550 -12.726 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.300 13.986 -12.991 1.00 0.00 H new ATOM 943 N ASP A 61 80.414 14.502 -9.391 1.00 0.00 N ATOM 944 CA ASP A 61 79.330 14.769 -8.397 1.00 0.00 C ATOM 945 C ASP A 61 79.765 14.310 -6.999 1.00 0.00 C ATOM 946 O ASP A 61 79.260 14.787 -5.999 1.00 0.00 O ATOM 947 CB ASP A 61 78.128 13.956 -8.886 1.00 0.00 C ATOM 948 CG ASP A 61 77.675 14.469 -10.257 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.854 15.648 -10.522 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.154 13.672 -11.020 1.00 0.00 O ATOM 0 H ASP A 61 80.358 13.596 -9.856 1.00 0.00 H new ATOM 0 HA ASP A 61 79.095 15.830 -8.320 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.394 12.901 -8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.310 14.034 -8.170 1.00 0.00 H new ATOM 955 N ILE A 62 80.697 13.388 -6.924 1.00 0.00 N ATOM 956 CA ILE A 62 81.210 12.933 -5.594 1.00 0.00 C ATOM 957 C ILE A 62 82.254 13.927 -5.071 1.00 0.00 C ATOM 958 O ILE A 62 83.034 14.473 -5.830 1.00 0.00 O ATOM 959 CB ILE A 62 81.853 11.563 -5.855 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.805 10.599 -6.423 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.400 10.992 -4.543 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.489 9.306 -6.869 1.00 0.00 C ATOM 0 H ILE A 62 81.124 12.931 -7.729 1.00 0.00 H new ATOM 0 HA ILE A 62 80.420 12.870 -4.845 1.00 0.00 H new ATOM 0 HB ILE A 62 82.666 11.682 -6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 62 80.049 10.381 -5.669 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.290 11.060 -7.266 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.856 10.020 -4.731 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.149 11.671 -4.135 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.585 10.878 -3.828 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.744 8.621 -7.273 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.228 9.532 -7.637 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.983 8.843 -6.015 1.00 0.00 H new ATOM 974 N ARG A 63 82.269 14.161 -3.781 1.00 0.00 N ATOM 975 CA ARG A 63 83.257 15.116 -3.196 1.00 0.00 C ATOM 976 C ARG A 63 84.427 14.350 -2.569 1.00 0.00 C ATOM 977 O ARG A 63 85.553 14.816 -2.581 1.00 0.00 O ATOM 978 CB ARG A 63 82.483 15.888 -2.128 1.00 0.00 C ATOM 979 CG ARG A 63 83.376 16.984 -1.541 1.00 0.00 C ATOM 980 CD ARG A 63 83.561 18.100 -2.573 1.00 0.00 C ATOM 981 NE ARG A 63 84.505 19.072 -1.932 1.00 0.00 N ATOM 982 CZ ARG A 63 85.211 19.931 -2.648 1.00 0.00 C ATOM 983 NH1 ARG A 63 85.124 19.982 -3.960 1.00 0.00 N ATOM 984 NH2 ARG A 63 86.016 20.753 -2.034 1.00 0.00 N ATOM 0 H ARG A 63 81.637 13.729 -3.107 1.00 0.00 H new ATOM 0 HA ARG A 63 83.682 15.781 -3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.586 16.329 -2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 63 82.156 15.210 -1.340 1.00 0.00 H new ATOM 0 HG2 ARG A 63 82.927 17.385 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.344 16.568 -1.262 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.969 17.711 -3.506 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.610 18.575 -2.815 1.00 0.00 H new ATOM 0 HE ARG A 63 84.605 19.071 -0.917 1.00 0.00 H new ATOM 0 HH11 ARG A 63 84.498 19.347 -4.455 1.00 0.00 H new ATOM 0 HH12 ARG A 63 85.683 20.657 -4.482 1.00 0.00 H new ATOM 0 HH21 ARG A 63 86.094 20.727 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 63 86.568 21.422 -2.570 1.00 0.00 H new ATOM 998 N SER A 64 84.171 13.182 -2.023 1.00 0.00 N ATOM 999 CA SER A 64 85.287 12.356 -1.459 1.00 0.00 C ATOM 1000 C SER A 64 84.848 10.901 -1.260 1.00 0.00 C ATOM 1001 O SER A 64 83.815 10.629 -0.679 1.00 0.00 O ATOM 1002 CB SER A 64 85.617 13.004 -0.114 1.00 0.00 C ATOM 1003 OG SER A 64 86.750 12.360 0.452 1.00 0.00 O ATOM 0 H SER A 64 83.242 12.768 -1.944 1.00 0.00 H new ATOM 0 HA SER A 64 86.148 12.329 -2.127 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.818 14.067 -0.249 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.764 12.924 0.560 1.00 0.00 H new ATOM 0 HG SER A 64 86.965 12.774 1.314 1.00 0.00 H new ATOM 1009 N ILE A 65 85.631 9.967 -1.747 1.00 0.00 N ATOM 1010 CA ILE A 65 85.336 8.519 -1.501 1.00 0.00 C ATOM 1011 C ILE A 65 86.232 7.975 -0.381 1.00 0.00 C ATOM 1012 O ILE A 65 87.367 8.391 -0.231 1.00 0.00 O ATOM 1013 CB ILE A 65 85.660 7.799 -2.819 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.856 8.419 -3.974 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.302 6.309 -2.688 1.00 0.00 C ATOM 1016 CD1 ILE A 65 85.316 7.817 -5.304 1.00 0.00 C ATOM 0 H ILE A 65 86.465 10.146 -2.306 1.00 0.00 H new ATOM 0 HA ILE A 65 84.300 8.369 -1.196 1.00 0.00 H new ATOM 0 HB ILE A 65 86.724 7.906 -3.030 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.792 8.235 -3.829 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.993 9.500 -3.986 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.531 5.796 -3.622 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.882 5.865 -1.879 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.239 6.208 -2.470 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.744 8.258 -6.120 1.00 0.00 H new ATOM 0 HD12 ILE A 65 86.376 8.024 -5.450 1.00 0.00 H new ATOM 0 HD13 ILE A 65 85.156 6.739 -5.290 1.00 0.00 H new ATOM 1028 N ASP A 66 85.729 7.053 0.403 1.00 0.00 N ATOM 1029 CA ASP A 66 86.576 6.402 1.450 1.00 0.00 C ATOM 1030 C ASP A 66 86.342 4.886 1.462 1.00 0.00 C ATOM 1031 O ASP A 66 85.229 4.433 1.643 1.00 0.00 O ATOM 1032 CB ASP A 66 86.129 7.038 2.773 1.00 0.00 C ATOM 1033 CG ASP A 66 84.644 6.756 3.030 1.00 0.00 C ATOM 1034 OD1 ASP A 66 83.822 7.371 2.372 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.358 5.932 3.883 1.00 0.00 O ATOM 0 H ASP A 66 84.765 6.722 0.362 1.00 0.00 H new ATOM 0 HA ASP A 66 87.641 6.548 1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.728 6.643 3.594 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.301 8.114 2.742 1.00 0.00 H new ATOM 1040 N LEU A 67 87.378 4.104 1.270 1.00 0.00 N ATOM 1041 CA LEU A 67 87.216 2.616 1.312 1.00 0.00 C ATOM 1042 C LEU A 67 87.062 2.136 2.758 1.00 0.00 C ATOM 1043 O LEU A 67 87.978 2.239 3.554 1.00 0.00 O ATOM 1044 CB LEU A 67 88.505 2.052 0.702 1.00 0.00 C ATOM 1045 CG LEU A 67 88.405 2.050 -0.839 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.400 3.054 -1.429 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.728 0.648 -1.373 1.00 0.00 C ATOM 0 H LEU A 67 88.327 4.431 1.086 1.00 0.00 H new ATOM 0 HA LEU A 67 86.329 2.289 0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.359 2.651 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 67 88.675 1.038 1.065 1.00 0.00 H new ATOM 0 HG LEU A 67 87.393 2.331 -1.129 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.323 3.046 -2.516 1.00 0.00 H new ATOM 0 HD12 LEU A 67 89.173 4.053 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.413 2.778 -1.135 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.657 0.648 -2.461 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.739 0.369 -1.075 1.00 0.00 H new ATOM 0 HD23 LEU A 67 88.018 -0.070 -0.963 1.00 0.00 H new ATOM 1059 N ILE A 68 85.908 1.614 3.099 1.00 0.00 N ATOM 1060 CA ILE A 68 85.706 1.053 4.473 1.00 0.00 C ATOM 1061 C ILE A 68 86.507 -0.243 4.626 1.00 0.00 C ATOM 1062 O ILE A 68 87.157 -0.467 5.630 1.00 0.00 O ATOM 1063 CB ILE A 68 84.200 0.773 4.587 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.412 2.070 4.371 1.00 0.00 C ATOM 1065 CG2 ILE A 68 83.883 0.219 5.980 1.00 0.00 C ATOM 1066 CD1 ILE A 68 81.912 1.761 4.332 1.00 0.00 C ATOM 0 H ILE A 68 85.096 1.552 2.484 1.00 0.00 H new ATOM 0 HA ILE A 68 86.044 1.738 5.251 1.00 0.00 H new ATOM 0 HB ILE A 68 83.916 0.044 3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 68 83.627 2.776 5.173 1.00 0.00 H new ATOM 0 HG13 ILE A 68 83.720 2.543 3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 68 82.814 0.021 6.058 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.436 -0.707 6.138 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.173 0.948 6.736 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.354 2.685 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.704 1.071 3.514 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.609 1.307 5.276 1.00 0.00 H new ATOM 1078 N GLU A 69 86.459 -1.093 3.631 1.00 0.00 N ATOM 1079 CA GLU A 69 87.180 -2.398 3.708 1.00 0.00 C ATOM 1080 C GLU A 69 87.886 -2.692 2.372 1.00 0.00 C ATOM 1081 O GLU A 69 87.284 -3.267 1.484 1.00 0.00 O ATOM 1082 CB GLU A 69 86.093 -3.439 3.982 1.00 0.00 C ATOM 1083 CG GLU A 69 85.904 -3.596 5.493 1.00 0.00 C ATOM 1084 CD GLU A 69 84.527 -4.196 5.776 1.00 0.00 C ATOM 1085 OE1 GLU A 69 84.416 -5.411 5.757 1.00 0.00 O ATOM 1086 OE2 GLU A 69 83.605 -3.431 6.006 1.00 0.00 O ATOM 0 H GLU A 69 85.947 -0.936 2.763 1.00 0.00 H new ATOM 0 HA GLU A 69 87.948 -2.401 4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.156 -3.132 3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.370 -4.395 3.538 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.683 -4.239 5.903 1.00 0.00 H new ATOM 0 HG3 GLU A 69 85.998 -2.628 5.984 1.00 0.00 H new ATOM 1093 N PRO A 70 89.138 -2.283 2.258 1.00 0.00 N ATOM 1094 CA PRO A 70 89.915 -2.592 1.030 1.00 0.00 C ATOM 1095 C PRO A 70 90.354 -4.068 0.996 1.00 0.00 C ATOM 1096 O PRO A 70 90.800 -4.553 -0.028 1.00 0.00 O ATOM 1097 CB PRO A 70 91.130 -1.675 1.131 1.00 0.00 C ATOM 1098 CG PRO A 70 91.299 -1.402 2.591 1.00 0.00 C ATOM 1099 CD PRO A 70 89.938 -1.509 3.228 1.00 0.00 C ATOM 0 HA PRO A 70 89.333 -2.436 0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 70 92.018 -2.151 0.715 1.00 0.00 H new ATOM 0 HB3 PRO A 70 90.973 -0.751 0.574 1.00 0.00 H new ATOM 0 HG2 PRO A 70 91.990 -2.117 3.038 1.00 0.00 H new ATOM 0 HG3 PRO A 70 91.721 -0.409 2.750 1.00 0.00 H new ATOM 0 HD2 PRO A 70 89.989 -2.014 4.193 1.00 0.00 H new ATOM 0 HD3 PRO A 70 89.504 -0.525 3.406 1.00 0.00 H new ATOM 1107 N ALA A 71 90.236 -4.780 2.098 1.00 0.00 N ATOM 1108 CA ALA A 71 90.731 -6.196 2.139 1.00 0.00 C ATOM 1109 C ALA A 71 89.978 -7.060 1.124 1.00 0.00 C ATOM 1110 O ALA A 71 89.347 -6.557 0.215 1.00 0.00 O ATOM 1111 CB ALA A 71 90.455 -6.686 3.564 1.00 0.00 C ATOM 0 H ALA A 71 89.820 -4.442 2.966 1.00 0.00 H new ATOM 0 HA ALA A 71 91.789 -6.259 1.886 1.00 0.00 H new ATOM 0 HB1 ALA A 71 90.793 -7.717 3.666 1.00 0.00 H new ATOM 0 HB2 ALA A 71 90.990 -6.057 4.275 1.00 0.00 H new ATOM 0 HB3 ALA A 71 89.385 -6.633 3.766 1.00 0.00 H new ATOM 1117 N LYS A 72 90.041 -8.364 1.278 1.00 0.00 N ATOM 1118 CA LYS A 72 89.366 -9.296 0.312 1.00 0.00 C ATOM 1119 C LYS A 72 89.831 -9.020 -1.122 1.00 0.00 C ATOM 1120 O LYS A 72 89.030 -8.867 -2.025 1.00 0.00 O ATOM 1121 CB LYS A 72 87.860 -9.043 0.456 1.00 0.00 C ATOM 1122 CG LYS A 72 87.416 -9.398 1.877 1.00 0.00 C ATOM 1123 CD LYS A 72 85.895 -9.271 1.985 1.00 0.00 C ATOM 1124 CE LYS A 72 85.463 -9.523 3.431 1.00 0.00 C ATOM 1125 NZ LYS A 72 85.729 -10.970 3.666 1.00 0.00 N ATOM 0 H LYS A 72 90.536 -8.828 2.040 1.00 0.00 H new ATOM 0 HA LYS A 72 89.613 -10.336 0.526 1.00 0.00 H new ATOM 0 HB2 LYS A 72 87.634 -7.998 0.243 1.00 0.00 H new ATOM 0 HB3 LYS A 72 87.309 -9.642 -0.269 1.00 0.00 H new ATOM 0 HG2 LYS A 72 87.725 -10.414 2.122 1.00 0.00 H new ATOM 0 HG3 LYS A 72 87.899 -8.736 2.596 1.00 0.00 H new ATOM 0 HD2 LYS A 72 85.579 -8.277 1.668 1.00 0.00 H new ATOM 0 HD3 LYS A 72 85.412 -9.987 1.320 1.00 0.00 H new ATOM 0 HE2 LYS A 72 86.027 -8.900 4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 72 84.409 -9.287 3.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 85.118 -11.315 4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 85.529 -11.505 2.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 86.726 -11.101 3.931 1.00 0.00 H new ATOM 1139 N GLN A 73 91.125 -8.958 -1.329 1.00 0.00 N ATOM 1140 CA GLN A 73 91.664 -8.698 -2.699 1.00 0.00 C ATOM 1141 C GLN A 73 92.230 -9.991 -3.294 1.00 0.00 C ATOM 1142 O GLN A 73 92.716 -10.850 -2.580 1.00 0.00 O ATOM 1143 CB GLN A 73 92.776 -7.670 -2.499 1.00 0.00 C ATOM 1144 CG GLN A 73 92.185 -6.380 -1.924 1.00 0.00 C ATOM 1145 CD GLN A 73 93.306 -5.367 -1.666 1.00 0.00 C ATOM 1146 OE1 GLN A 73 94.459 -5.733 -1.542 1.00 0.00 O ATOM 1147 NE2 GLN A 73 93.013 -4.099 -1.577 1.00 0.00 N ATOM 0 H GLN A 73 91.833 -9.077 -0.604 1.00 0.00 H new ATOM 0 HA GLN A 73 90.897 -8.339 -3.385 1.00 0.00 H new ATOM 0 HB2 GLN A 73 93.535 -8.067 -1.824 1.00 0.00 H new ATOM 0 HB3 GLN A 73 93.270 -7.464 -3.449 1.00 0.00 H new ATOM 0 HG2 GLN A 73 91.457 -5.961 -2.618 1.00 0.00 H new ATOM 0 HG3 GLN A 73 91.655 -6.594 -0.996 1.00 0.00 H new ATOM 0 HE21 GLN A 73 92.046 -3.790 -1.681 1.00 0.00 H new ATOM 0 HE22 GLN A 73 93.751 -3.416 -1.404 1.00 0.00 H new ATOM 1156 N ASP A 74 92.170 -10.131 -4.596 1.00 0.00 N ATOM 1157 CA ASP A 74 92.700 -11.367 -5.251 1.00 0.00 C ATOM 1158 C ASP A 74 94.058 -11.083 -5.903 1.00 0.00 C ATOM 1159 O ASP A 74 94.443 -9.941 -6.078 1.00 0.00 O ATOM 1160 CB ASP A 74 91.653 -11.748 -6.308 1.00 0.00 C ATOM 1161 CG ASP A 74 91.472 -10.606 -7.313 1.00 0.00 C ATOM 1162 OD1 ASP A 74 92.226 -10.560 -8.272 1.00 0.00 O ATOM 1163 OD2 ASP A 74 90.582 -9.798 -7.107 1.00 0.00 O ATOM 0 H ASP A 74 91.776 -9.440 -5.235 1.00 0.00 H new ATOM 0 HA ASP A 74 92.859 -12.175 -4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 74 91.965 -12.654 -6.829 1.00 0.00 H new ATOM 0 HB3 ASP A 74 90.702 -11.970 -5.824 1.00 0.00 H new ATOM 1168 N LEU A 75 94.782 -12.116 -6.258 1.00 0.00 N ATOM 1169 CA LEU A 75 96.119 -11.923 -6.899 1.00 0.00 C ATOM 1170 C LEU A 75 96.014 -12.125 -8.413 1.00 0.00 C ATOM 1171 O LEU A 75 95.513 -13.132 -8.880 1.00 0.00 O ATOM 1172 CB LEU A 75 97.015 -12.992 -6.276 1.00 0.00 C ATOM 1173 CG LEU A 75 98.449 -12.813 -6.778 1.00 0.00 C ATOM 1174 CD1 LEU A 75 99.072 -11.583 -6.117 1.00 0.00 C ATOM 1175 CD2 LEU A 75 99.272 -14.053 -6.421 1.00 0.00 C ATOM 0 H LEU A 75 94.503 -13.089 -6.131 1.00 0.00 H new ATOM 0 HA LEU A 75 96.512 -10.919 -6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 75 96.987 -12.917 -5.189 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.649 -13.985 -6.536 1.00 0.00 H new ATOM 0 HG LEU A 75 98.440 -12.679 -7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 75 100.094 -11.456 -6.475 1.00 0.00 H new ATOM 0 HD12 LEU A 75 98.487 -10.699 -6.369 1.00 0.00 H new ATOM 0 HD13 LEU A 75 99.081 -11.716 -5.035 1.00 0.00 H new ATOM 0 HD21 LEU A 75 100.294 -13.927 -6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 75 99.280 -14.186 -5.339 1.00 0.00 H new ATOM 0 HD23 LEU A 75 98.829 -14.931 -6.891 1.00 0.00 H new ATOM 1187 N ASP A 76 96.485 -11.171 -9.179 1.00 0.00 N ATOM 1188 CA ASP A 76 96.437 -11.299 -10.667 1.00 0.00 C ATOM 1189 C ASP A 76 97.694 -10.686 -11.291 1.00 0.00 C ATOM 1190 O ASP A 76 98.197 -9.680 -10.825 1.00 0.00 O ATOM 1191 CB ASP A 76 95.191 -10.518 -11.092 1.00 0.00 C ATOM 1192 CG ASP A 76 94.931 -10.724 -12.588 1.00 0.00 C ATOM 1193 OD1 ASP A 76 95.282 -11.778 -13.097 1.00 0.00 O ATOM 1194 OD2 ASP A 76 94.384 -9.822 -13.202 1.00 0.00 O ATOM 0 H ASP A 76 96.902 -10.306 -8.835 1.00 0.00 H new ATOM 0 HA ASP A 76 96.396 -12.339 -10.991 1.00 0.00 H new ATOM 0 HB2 ASP A 76 94.328 -10.851 -10.515 1.00 0.00 H new ATOM 0 HB3 ASP A 76 95.326 -9.457 -10.880 1.00 0.00 H new ATOM 1199 N GLY A 77 98.199 -11.287 -12.341 1.00 0.00 N ATOM 1200 CA GLY A 77 99.411 -10.737 -13.019 1.00 0.00 C ATOM 1201 C GLY A 77 99.024 -9.496 -13.825 1.00 0.00 C ATOM 1202 O GLY A 77 98.055 -9.503 -14.562 1.00 0.00 O ATOM 0 H GLY A 77 97.821 -12.138 -12.758 1.00 0.00 H new ATOM 0 HA2 GLY A 77 100.170 -10.482 -12.280 1.00 0.00 H new ATOM 0 HA3 GLY A 77 99.846 -11.490 -13.676 1.00 0.00 H new ATOM 1206 N HIS A 78 99.778 -8.432 -13.691 1.00 0.00 N ATOM 1207 CA HIS A 78 99.468 -7.180 -14.447 1.00 0.00 C ATOM 1208 C HIS A 78 100.694 -6.723 -15.241 1.00 0.00 C ATOM 1209 O HIS A 78 101.816 -6.830 -14.781 1.00 0.00 O ATOM 1210 CB HIS A 78 99.108 -6.149 -13.378 1.00 0.00 C ATOM 1211 CG HIS A 78 97.859 -6.491 -12.610 1.00 0.00 C ATOM 1212 ND1 HIS A 78 97.898 -7.168 -11.401 1.00 0.00 N ATOM 1213 CD2 HIS A 78 96.532 -6.256 -12.867 1.00 0.00 C ATOM 1214 CE1 HIS A 78 96.629 -7.314 -10.978 1.00 0.00 C ATOM 1215 NE2 HIS A 78 95.756 -6.776 -11.835 1.00 0.00 N ATOM 0 H HIS A 78 100.598 -8.378 -13.087 1.00 0.00 H new ATOM 0 HA HIS A 78 98.660 -7.322 -15.165 1.00 0.00 H new ATOM 0 HB2 HIS A 78 99.940 -6.055 -12.680 1.00 0.00 H new ATOM 0 HB3 HIS A 78 98.979 -5.176 -13.852 1.00 0.00 H new ATOM 0 HD1 HIS A 78 98.736 -7.496 -10.920 1.00 0.00 H new ATOM 0 HD2 HIS A 78 96.148 -5.745 -13.738 1.00 0.00 H new ATOM 0 HE1 HIS A 78 96.350 -7.806 -10.058 1.00 0.00 H new ATOM 1223 N THR A 79 100.484 -6.215 -16.432 1.00 0.00 N ATOM 1224 CA THR A 79 101.630 -5.709 -17.255 1.00 0.00 C ATOM 1225 C THR A 79 102.358 -4.584 -16.513 1.00 0.00 C ATOM 1226 O THR A 79 103.571 -4.483 -16.558 1.00 0.00 O ATOM 1227 CB THR A 79 101.003 -5.177 -18.548 1.00 0.00 C ATOM 1228 OG1 THR A 79 100.217 -6.199 -19.146 1.00 0.00 O ATOM 1229 CG2 THR A 79 102.107 -4.747 -19.514 1.00 0.00 C ATOM 0 H THR A 79 99.567 -6.129 -16.871 1.00 0.00 H new ATOM 0 HA THR A 79 102.363 -6.490 -17.454 1.00 0.00 H new ATOM 0 HB THR A 79 100.371 -4.319 -18.320 1.00 0.00 H new ATOM 0 HG1 THR A 79 99.814 -5.860 -19.972 1.00 0.00 H new ATOM 0 HG21 THR A 79 101.659 -4.369 -20.433 1.00 0.00 H new ATOM 0 HG22 THR A 79 102.708 -3.963 -19.054 1.00 0.00 H new ATOM 0 HG23 THR A 79 102.742 -5.602 -19.745 1.00 0.00 H new ATOM 1237 N ALA A 80 101.621 -3.741 -15.833 1.00 0.00 N ATOM 1238 CA ALA A 80 102.253 -2.619 -15.074 1.00 0.00 C ATOM 1239 C ALA A 80 102.791 -3.127 -13.722 1.00 0.00 C ATOM 1240 O ALA A 80 102.565 -4.268 -13.371 1.00 0.00 O ATOM 1241 CB ALA A 80 101.132 -1.601 -14.855 1.00 0.00 C ATOM 0 H ALA A 80 100.604 -3.782 -15.771 1.00 0.00 H new ATOM 0 HA ALA A 80 103.097 -2.185 -15.610 1.00 0.00 H new ATOM 0 HB1 ALA A 80 101.520 -0.746 -14.302 1.00 0.00 H new ATOM 0 HB2 ALA A 80 100.750 -1.267 -15.820 1.00 0.00 H new ATOM 0 HB3 ALA A 80 100.326 -2.064 -14.287 1.00 0.00 H new ATOM 1247 N PRO A 81 103.490 -2.270 -12.997 1.00 0.00 N ATOM 1248 CA PRO A 81 104.047 -2.686 -11.681 1.00 0.00 C ATOM 1249 C PRO A 81 102.916 -3.124 -10.731 1.00 0.00 C ATOM 1250 O PRO A 81 101.768 -2.806 -10.968 1.00 0.00 O ATOM 1251 CB PRO A 81 104.740 -1.430 -11.148 1.00 0.00 C ATOM 1252 CG PRO A 81 104.912 -0.529 -12.330 1.00 0.00 C ATOM 1253 CD PRO A 81 103.825 -0.870 -13.310 1.00 0.00 C ATOM 0 HA PRO A 81 104.728 -3.533 -11.765 1.00 0.00 H new ATOM 0 HB2 PRO A 81 104.140 -0.951 -10.374 1.00 0.00 H new ATOM 0 HB3 PRO A 81 105.703 -1.675 -10.699 1.00 0.00 H new ATOM 0 HG2 PRO A 81 104.845 0.517 -12.030 1.00 0.00 H new ATOM 0 HG3 PRO A 81 105.894 -0.669 -12.781 1.00 0.00 H new ATOM 0 HD2 PRO A 81 102.961 -0.217 -13.191 1.00 0.00 H new ATOM 0 HD3 PRO A 81 104.167 -0.762 -14.339 1.00 0.00 H new ATOM 1261 N PRO A 82 103.263 -3.845 -9.678 1.00 0.00 N ATOM 1262 CA PRO A 82 102.226 -4.336 -8.733 1.00 0.00 C ATOM 1263 C PRO A 82 101.453 -3.153 -8.118 1.00 0.00 C ATOM 1264 O PRO A 82 101.997 -2.074 -7.991 1.00 0.00 O ATOM 1265 CB PRO A 82 103.016 -5.082 -7.655 1.00 0.00 C ATOM 1266 CG PRO A 82 104.366 -5.339 -8.246 1.00 0.00 C ATOM 1267 CD PRO A 82 104.615 -4.267 -9.270 1.00 0.00 C ATOM 0 HA PRO A 82 101.485 -4.971 -9.219 1.00 0.00 H new ATOM 0 HB2 PRO A 82 103.094 -4.487 -6.745 1.00 0.00 H new ATOM 0 HB3 PRO A 82 102.523 -6.016 -7.384 1.00 0.00 H new ATOM 0 HG2 PRO A 82 105.134 -5.319 -7.473 1.00 0.00 H new ATOM 0 HG3 PRO A 82 104.403 -6.326 -8.706 1.00 0.00 H new ATOM 0 HD2 PRO A 82 105.183 -3.437 -8.849 1.00 0.00 H new ATOM 0 HD3 PRO A 82 105.187 -4.648 -10.116 1.00 0.00 H new ATOM 1275 N PRO A 83 100.203 -3.382 -7.750 1.00 0.00 N ATOM 1276 CA PRO A 83 99.382 -2.287 -7.163 1.00 0.00 C ATOM 1277 C PRO A 83 100.043 -1.736 -5.895 1.00 0.00 C ATOM 1278 O PRO A 83 100.680 -2.458 -5.152 1.00 0.00 O ATOM 1279 CB PRO A 83 98.046 -2.954 -6.827 1.00 0.00 C ATOM 1280 CG PRO A 83 98.017 -4.222 -7.619 1.00 0.00 C ATOM 1281 CD PRO A 83 99.443 -4.642 -7.837 1.00 0.00 C ATOM 0 HA PRO A 83 99.268 -1.442 -7.842 1.00 0.00 H new ATOM 0 HB2 PRO A 83 97.967 -3.157 -5.759 1.00 0.00 H new ATOM 0 HB3 PRO A 83 97.209 -2.308 -7.091 1.00 0.00 H new ATOM 0 HG2 PRO A 83 97.465 -4.996 -7.086 1.00 0.00 H new ATOM 0 HG3 PRO A 83 97.511 -4.069 -8.572 1.00 0.00 H new ATOM 0 HD2 PRO A 83 99.768 -5.357 -7.082 1.00 0.00 H new ATOM 0 HD3 PRO A 83 99.574 -5.121 -8.807 1.00 0.00 H new ATOM 1289 N VAL A 84 99.895 -0.454 -5.644 1.00 0.00 N ATOM 1290 CA VAL A 84 100.517 0.177 -4.427 1.00 0.00 C ATOM 1291 C VAL A 84 102.023 -0.128 -4.368 1.00 0.00 C ATOM 1292 O VAL A 84 102.433 -1.183 -3.920 1.00 0.00 O ATOM 1293 CB VAL A 84 99.790 -0.439 -3.220 1.00 0.00 C ATOM 1294 CG1 VAL A 84 100.329 0.171 -1.924 1.00 0.00 C ATOM 1295 CG2 VAL A 84 98.289 -0.152 -3.323 1.00 0.00 C ATOM 0 H VAL A 84 99.366 0.189 -6.234 1.00 0.00 H new ATOM 0 HA VAL A 84 100.417 1.262 -4.443 1.00 0.00 H new ATOM 0 HB VAL A 84 99.959 -1.516 -3.214 1.00 0.00 H new ATOM 0 HG11 VAL A 84 99.811 -0.269 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 84 101.397 -0.032 -1.843 1.00 0.00 H new ATOM 0 HG13 VAL A 84 100.164 1.248 -1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 84 97.775 -0.589 -2.467 1.00 0.00 H new ATOM 0 HG22 VAL A 84 98.124 0.925 -3.333 1.00 0.00 H new ATOM 0 HG23 VAL A 84 97.898 -0.588 -4.242 1.00 0.00 H new ATOM 1305 N VAL A 85 102.840 0.792 -4.818 1.00 0.00 N ATOM 1306 CA VAL A 85 104.319 0.566 -4.812 1.00 0.00 C ATOM 1307 C VAL A 85 105.016 1.526 -3.835 1.00 0.00 C ATOM 1308 O VAL A 85 106.200 1.782 -3.954 1.00 0.00 O ATOM 1309 CB VAL A 85 104.776 0.830 -6.253 1.00 0.00 C ATOM 1310 CG1 VAL A 85 104.083 -0.155 -7.197 1.00 0.00 C ATOM 1311 CG2 VAL A 85 104.414 2.263 -6.666 1.00 0.00 C ATOM 0 H VAL A 85 102.545 1.694 -5.191 1.00 0.00 H new ATOM 0 HA VAL A 85 104.571 -0.443 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 85 105.857 0.701 -6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 85 104.407 0.032 -8.221 1.00 0.00 H new ATOM 0 HG12 VAL A 85 104.344 -1.175 -6.914 1.00 0.00 H new ATOM 0 HG13 VAL A 85 103.003 -0.025 -7.129 1.00 0.00 H new ATOM 0 HG21 VAL A 85 104.742 2.440 -7.690 1.00 0.00 H new ATOM 0 HG22 VAL A 85 103.334 2.398 -6.603 1.00 0.00 H new ATOM 0 HG23 VAL A 85 104.908 2.970 -5.999 1.00 0.00 H new ATOM 1321 N ASN A 86 104.293 2.056 -2.873 1.00 0.00 N ATOM 1322 CA ASN A 86 104.913 3.011 -1.896 1.00 0.00 C ATOM 1323 C ASN A 86 106.078 2.340 -1.161 1.00 0.00 C ATOM 1324 O ASN A 86 107.078 2.968 -0.864 1.00 0.00 O ATOM 1325 CB ASN A 86 103.797 3.370 -0.909 1.00 0.00 C ATOM 1326 CG ASN A 86 102.680 4.119 -1.643 1.00 0.00 C ATOM 1327 OD1 ASN A 86 102.896 4.681 -2.699 1.00 0.00 O ATOM 1328 ND2 ASN A 86 101.483 4.148 -1.123 1.00 0.00 N ATOM 0 H ASN A 86 103.302 1.868 -2.723 1.00 0.00 H new ATOM 0 HA ASN A 86 105.314 3.894 -2.393 1.00 0.00 H new ATOM 0 HB2 ASN A 86 103.400 2.465 -0.449 1.00 0.00 H new ATOM 0 HB3 ASN A 86 104.195 3.988 -0.104 1.00 0.00 H new ATOM 0 HD21 ASN A 86 100.730 4.642 -1.603 1.00 0.00 H new ATOM 0 HD22 ASN A 86 101.300 3.677 -0.237 1.00 0.00 H new ATOM 1335 N LYS A 87 105.951 1.069 -0.869 1.00 0.00 N ATOM 1336 CA LYS A 87 107.051 0.335 -0.174 1.00 0.00 C ATOM 1337 C LYS A 87 108.094 -0.151 -1.197 1.00 0.00 C ATOM 1338 O LYS A 87 107.739 -0.496 -2.307 1.00 0.00 O ATOM 1339 CB LYS A 87 106.369 -0.855 0.503 1.00 0.00 C ATOM 1340 CG LYS A 87 105.410 -0.348 1.581 1.00 0.00 C ATOM 1341 CD LYS A 87 104.308 -1.384 1.812 1.00 0.00 C ATOM 1342 CE LYS A 87 103.159 -0.741 2.593 1.00 0.00 C ATOM 1343 NZ LYS A 87 102.544 -1.858 3.362 1.00 0.00 N ATOM 0 H LYS A 87 105.128 0.506 -1.084 1.00 0.00 H new ATOM 0 HA LYS A 87 107.578 0.964 0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 87 105.825 -1.444 -0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 87 107.117 -1.512 0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 87 105.952 -0.165 2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 87 104.972 0.602 1.276 1.00 0.00 H new ATOM 0 HD2 LYS A 87 103.945 -1.764 0.857 1.00 0.00 H new ATOM 0 HD3 LYS A 87 104.705 -2.236 2.364 1.00 0.00 H new ATOM 0 HE2 LYS A 87 103.523 0.042 3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 87 102.435 -0.279 1.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 101.747 -1.495 3.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 102.200 -2.585 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 103.254 -2.274 3.997 1.00 0.00 H new ATOM 1357 N PRO A 88 109.357 -0.169 -0.803 1.00 0.00 N ATOM 1358 CA PRO A 88 110.421 -0.645 -1.727 1.00 0.00 C ATOM 1359 C PRO A 88 110.160 -2.098 -2.144 1.00 0.00 C ATOM 1360 O PRO A 88 109.688 -2.900 -1.359 1.00 0.00 O ATOM 1361 CB PRO A 88 111.710 -0.543 -0.908 1.00 0.00 C ATOM 1362 CG PRO A 88 111.388 0.355 0.244 1.00 0.00 C ATOM 1363 CD PRO A 88 109.911 0.238 0.500 1.00 0.00 C ATOM 0 HA PRO A 88 110.466 -0.062 -2.647 1.00 0.00 H new ATOM 0 HB2 PRO A 88 112.032 -1.525 -0.561 1.00 0.00 H new ATOM 0 HB3 PRO A 88 112.523 -0.134 -1.508 1.00 0.00 H new ATOM 0 HG2 PRO A 88 111.956 0.065 1.128 1.00 0.00 H new ATOM 0 HG3 PRO A 88 111.658 1.386 0.015 1.00 0.00 H new ATOM 0 HD2 PRO A 88 109.697 -0.500 1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 88 109.488 1.184 0.836 1.00 0.00 H new ATOM 1371 N THR A 89 110.466 -2.434 -3.372 1.00 0.00 N ATOM 1372 CA THR A 89 110.253 -3.834 -3.852 1.00 0.00 C ATOM 1373 C THR A 89 111.606 -4.567 -3.960 1.00 0.00 C ATOM 1374 O THR A 89 112.429 -4.193 -4.772 1.00 0.00 O ATOM 1375 CB THR A 89 109.616 -3.683 -5.235 1.00 0.00 C ATOM 1376 OG1 THR A 89 110.473 -2.919 -6.068 1.00 0.00 O ATOM 1377 CG2 THR A 89 108.266 -2.976 -5.102 1.00 0.00 C ATOM 0 H THR A 89 110.856 -1.796 -4.066 1.00 0.00 H new ATOM 0 HA THR A 89 109.627 -4.415 -3.175 1.00 0.00 H new ATOM 0 HB THR A 89 109.465 -4.668 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 89 111.402 -3.192 -5.919 1.00 0.00 H new ATOM 0 HG21 THR A 89 107.813 -2.869 -6.087 1.00 0.00 H new ATOM 0 HG22 THR A 89 107.608 -3.565 -4.462 1.00 0.00 H new ATOM 0 HG23 THR A 89 108.413 -1.990 -4.661 1.00 0.00 H new ATOM 1385 N PRO A 90 111.811 -5.590 -3.145 1.00 0.00 N ATOM 1386 CA PRO A 90 113.108 -6.321 -3.175 1.00 0.00 C ATOM 1387 C PRO A 90 113.400 -6.880 -4.577 1.00 0.00 C ATOM 1388 O PRO A 90 114.539 -7.146 -4.915 1.00 0.00 O ATOM 1389 CB PRO A 90 112.924 -7.460 -2.172 1.00 0.00 C ATOM 1390 CG PRO A 90 111.767 -7.057 -1.314 1.00 0.00 C ATOM 1391 CD PRO A 90 110.893 -6.160 -2.143 1.00 0.00 C ATOM 0 HA PRO A 90 113.949 -5.673 -2.928 1.00 0.00 H new ATOM 0 HB2 PRO A 90 112.725 -8.403 -2.682 1.00 0.00 H new ATOM 0 HB3 PRO A 90 113.824 -7.605 -1.574 1.00 0.00 H new ATOM 0 HG2 PRO A 90 111.212 -7.933 -0.980 1.00 0.00 H new ATOM 0 HG3 PRO A 90 112.113 -6.538 -0.420 1.00 0.00 H new ATOM 0 HD2 PRO A 90 110.084 -6.717 -2.615 1.00 0.00 H new ATOM 0 HD3 PRO A 90 110.432 -5.381 -1.536 1.00 0.00 H new ATOM 1399 N VAL A 91 112.382 -7.059 -5.391 1.00 0.00 N ATOM 1400 CA VAL A 91 112.597 -7.655 -6.751 1.00 0.00 C ATOM 1401 C VAL A 91 113.566 -6.782 -7.563 1.00 0.00 C ATOM 1402 O VAL A 91 114.478 -7.284 -8.195 1.00 0.00 O ATOM 1403 CB VAL A 91 111.208 -7.685 -7.409 1.00 0.00 C ATOM 1404 CG1 VAL A 91 111.310 -8.272 -8.821 1.00 0.00 C ATOM 1405 CG2 VAL A 91 110.263 -8.553 -6.571 1.00 0.00 C ATOM 0 H VAL A 91 111.415 -6.819 -5.172 1.00 0.00 H new ATOM 0 HA VAL A 91 113.035 -8.652 -6.698 1.00 0.00 H new ATOM 0 HB VAL A 91 110.821 -6.668 -7.468 1.00 0.00 H new ATOM 0 HG11 VAL A 91 110.322 -8.290 -9.280 1.00 0.00 H new ATOM 0 HG12 VAL A 91 111.979 -7.657 -9.423 1.00 0.00 H new ATOM 0 HG13 VAL A 91 111.702 -9.287 -8.765 1.00 0.00 H new ATOM 0 HG21 VAL A 91 109.278 -8.574 -7.038 1.00 0.00 H new ATOM 0 HG22 VAL A 91 110.658 -9.567 -6.511 1.00 0.00 H new ATOM 0 HG23 VAL A 91 110.180 -8.136 -5.567 1.00 0.00 H new ATOM 1415 N LYS A 92 113.371 -5.484 -7.548 1.00 0.00 N ATOM 1416 CA LYS A 92 114.299 -4.572 -8.290 1.00 0.00 C ATOM 1417 C LYS A 92 115.718 -4.692 -7.728 1.00 0.00 C ATOM 1418 O LYS A 92 116.690 -4.593 -8.453 1.00 0.00 O ATOM 1419 CB LYS A 92 113.755 -3.158 -8.071 1.00 0.00 C ATOM 1420 CG LYS A 92 112.373 -3.034 -8.716 1.00 0.00 C ATOM 1421 CD LYS A 92 111.992 -1.556 -8.834 1.00 0.00 C ATOM 1422 CE LYS A 92 111.811 -0.954 -7.437 1.00 0.00 C ATOM 1423 NZ LYS A 92 112.488 0.372 -7.497 1.00 0.00 N ATOM 0 H LYS A 92 112.610 -5.018 -7.054 1.00 0.00 H new ATOM 0 HA LYS A 92 114.350 -4.821 -9.350 1.00 0.00 H new ATOM 0 HB2 LYS A 92 113.690 -2.944 -7.004 1.00 0.00 H new ATOM 0 HB3 LYS A 92 114.436 -2.425 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 92 112.378 -3.499 -9.702 1.00 0.00 H new ATOM 0 HG3 LYS A 92 111.632 -3.564 -8.117 1.00 0.00 H new ATOM 0 HD2 LYS A 92 112.766 -1.013 -9.376 1.00 0.00 H new ATOM 0 HD3 LYS A 92 111.070 -1.453 -9.407 1.00 0.00 H new ATOM 0 HE2 LYS A 92 110.755 -0.847 -7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 92 112.257 -1.590 -6.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 112.406 0.846 -6.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 113.493 0.239 -7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 112.038 0.959 -8.228 1.00 0.00 H new ATOM 1437 N LEU A 93 115.836 -4.903 -6.439 1.00 0.00 N ATOM 1438 CA LEU A 93 117.188 -4.989 -5.807 1.00 0.00 C ATOM 1439 C LEU A 93 117.772 -6.406 -5.987 1.00 0.00 C ATOM 1440 O LEU A 93 117.181 -7.364 -5.531 1.00 0.00 O ATOM 1441 CB LEU A 93 116.946 -4.700 -4.318 1.00 0.00 C ATOM 1442 CG LEU A 93 117.327 -3.248 -3.978 1.00 0.00 C ATOM 1443 CD1 LEU A 93 118.810 -3.008 -4.278 1.00 0.00 C ATOM 1444 CD2 LEU A 93 116.476 -2.276 -4.804 1.00 0.00 C ATOM 0 H LEU A 93 115.052 -5.019 -5.797 1.00 0.00 H new ATOM 0 HA LEU A 93 117.897 -4.291 -6.253 1.00 0.00 H new ATOM 0 HB2 LEU A 93 115.898 -4.873 -4.074 1.00 0.00 H new ATOM 0 HB3 LEU A 93 117.533 -5.388 -3.709 1.00 0.00 H new ATOM 0 HG LEU A 93 117.143 -3.078 -2.917 1.00 0.00 H new ATOM 0 HD11 LEU A 93 119.069 -1.978 -4.034 1.00 0.00 H new ATOM 0 HD12 LEU A 93 119.417 -3.686 -3.678 1.00 0.00 H new ATOM 0 HD13 LEU A 93 119.001 -3.189 -5.336 1.00 0.00 H new ATOM 0 HD21 LEU A 93 116.752 -1.251 -4.557 1.00 0.00 H new ATOM 0 HD22 LEU A 93 116.649 -2.453 -5.866 1.00 0.00 H new ATOM 0 HD23 LEU A 93 115.421 -2.432 -4.577 1.00 0.00 H new ATOM 1456 N PRO A 94 118.918 -6.513 -6.645 1.00 0.00 N ATOM 1457 CA PRO A 94 119.556 -7.845 -6.815 1.00 0.00 C ATOM 1458 C PRO A 94 119.905 -8.445 -5.449 1.00 0.00 C ATOM 1459 O PRO A 94 120.133 -7.729 -4.491 1.00 0.00 O ATOM 1460 CB PRO A 94 120.825 -7.562 -7.622 1.00 0.00 C ATOM 1461 CG PRO A 94 121.052 -6.087 -7.516 1.00 0.00 C ATOM 1462 CD PRO A 94 119.713 -5.448 -7.281 1.00 0.00 C ATOM 0 HA PRO A 94 118.903 -8.562 -7.313 1.00 0.00 H new ATOM 0 HB2 PRO A 94 121.674 -8.118 -7.224 1.00 0.00 H new ATOM 0 HB3 PRO A 94 120.704 -7.866 -8.662 1.00 0.00 H new ATOM 0 HG2 PRO A 94 121.735 -5.861 -6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 94 121.508 -5.701 -8.428 1.00 0.00 H new ATOM 0 HD2 PRO A 94 119.796 -4.573 -6.637 1.00 0.00 H new ATOM 0 HD3 PRO A 94 119.260 -5.115 -8.215 1.00 0.00 H new ATOM 1470 N HIS A 95 119.948 -9.751 -5.360 1.00 0.00 N ATOM 1471 CA HIS A 95 120.282 -10.412 -4.061 1.00 0.00 C ATOM 1472 C HIS A 95 121.690 -11.013 -4.122 1.00 0.00 C ATOM 1473 O HIS A 95 122.028 -11.726 -5.049 1.00 0.00 O ATOM 1474 CB HIS A 95 119.235 -11.513 -3.895 1.00 0.00 C ATOM 1475 CG HIS A 95 119.351 -12.260 -2.595 1.00 0.00 C ATOM 1476 ND1 HIS A 95 119.111 -11.655 -1.371 1.00 0.00 N ATOM 1477 CD2 HIS A 95 119.680 -13.562 -2.311 1.00 0.00 C ATOM 1478 CE1 HIS A 95 119.297 -12.585 -0.416 1.00 0.00 C ATOM 1479 NE2 HIS A 95 119.645 -13.765 -0.935 1.00 0.00 N ATOM 0 H HIS A 95 119.766 -10.390 -6.134 1.00 0.00 H new ATOM 0 HA HIS A 95 120.271 -9.712 -3.226 1.00 0.00 H new ATOM 0 HB2 HIS A 95 118.241 -11.071 -3.964 1.00 0.00 H new ATOM 0 HB3 HIS A 95 119.328 -12.219 -4.720 1.00 0.00 H new ATOM 0 HD2 HIS A 95 119.928 -14.315 -3.044 1.00 0.00 H new ATOM 0 HE1 HIS A 95 119.179 -12.399 0.641 1.00 0.00 H new ATOM 0 HE2 HIS A 95 119.843 -14.629 -0.431 1.00 0.00 H new ATOM 1487 N PHE A 96 122.507 -10.727 -3.138 1.00 0.00 N ATOM 1488 CA PHE A 96 123.908 -11.257 -3.137 1.00 0.00 C ATOM 1489 C PHE A 96 123.897 -12.790 -3.139 1.00 0.00 C ATOM 1490 O PHE A 96 124.750 -13.424 -3.732 1.00 0.00 O ATOM 1491 CB PHE A 96 124.550 -10.724 -1.850 1.00 0.00 C ATOM 1492 CG PHE A 96 123.905 -11.241 -0.582 1.00 0.00 C ATOM 1493 CD1 PHE A 96 122.788 -10.546 -0.007 1.00 0.00 C ATOM 1494 CD2 PHE A 96 124.410 -12.429 0.045 1.00 0.00 C ATOM 1495 CE1 PHE A 96 122.177 -11.038 1.195 1.00 0.00 C ATOM 1496 CE2 PHE A 96 123.800 -12.921 1.248 1.00 0.00 C ATOM 1497 CZ PHE A 96 122.684 -12.225 1.822 1.00 0.00 C ATOM 0 H PHE A 96 122.264 -10.148 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 96 124.462 -10.941 -4.021 1.00 0.00 H new ATOM 0 HB2 PHE A 96 125.606 -10.993 -1.844 1.00 0.00 H new ATOM 0 HB3 PHE A 96 124.499 -9.635 -1.854 1.00 0.00 H new ATOM 0 HD1 PHE A 96 122.407 -9.652 -0.479 1.00 0.00 H new ATOM 0 HD2 PHE A 96 125.249 -12.953 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 96 121.336 -10.515 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 96 124.181 -13.814 1.721 1.00 0.00 H new ATOM 0 HZ PHE A 96 122.225 -12.595 2.727 1.00 0.00 H new ATOM 1507 N SER A 97 122.933 -13.391 -2.478 1.00 0.00 N ATOM 1508 CA SER A 97 122.851 -14.892 -2.417 1.00 0.00 C ATOM 1509 C SER A 97 124.187 -15.501 -1.967 1.00 0.00 C ATOM 1510 O SER A 97 125.073 -15.732 -2.770 1.00 0.00 O ATOM 1511 CB SER A 97 122.512 -15.338 -3.841 1.00 0.00 C ATOM 1512 OG SER A 97 122.162 -16.716 -3.830 1.00 0.00 O ATOM 0 H SER A 97 122.193 -12.903 -1.973 1.00 0.00 H new ATOM 0 HA SER A 97 122.103 -15.221 -1.696 1.00 0.00 H new ATOM 0 HB2 SER A 97 121.687 -14.744 -4.234 1.00 0.00 H new ATOM 0 HB3 SER A 97 123.365 -15.173 -4.499 1.00 0.00 H new ATOM 0 HG SER A 97 122.949 -17.251 -3.595 1.00 0.00 H new ATOM 1518 N ASN A 98 124.332 -15.759 -0.689 1.00 0.00 N ATOM 1519 CA ASN A 98 125.615 -16.344 -0.170 1.00 0.00 C ATOM 1520 C ASN A 98 125.923 -17.671 -0.871 1.00 0.00 C ATOM 1521 O ASN A 98 127.064 -17.978 -1.160 1.00 0.00 O ATOM 1522 CB ASN A 98 125.380 -16.574 1.325 1.00 0.00 C ATOM 1523 CG ASN A 98 126.715 -16.870 2.013 1.00 0.00 C ATOM 1524 OD1 ASN A 98 127.606 -16.044 2.018 1.00 0.00 O ATOM 1525 ND2 ASN A 98 126.891 -18.024 2.596 1.00 0.00 N ATOM 0 H ASN A 98 123.618 -15.590 0.020 1.00 0.00 H new ATOM 0 HA ASN A 98 126.463 -15.684 -0.353 1.00 0.00 H new ATOM 0 HB2 ASN A 98 124.917 -15.694 1.771 1.00 0.00 H new ATOM 0 HB3 ASN A 98 124.691 -17.406 1.472 1.00 0.00 H new ATOM 0 HD21 ASN A 98 127.777 -18.233 3.056 1.00 0.00 H new ATOM 0 HD22 ASN A 98 126.143 -18.717 2.592 1.00 0.00 H new ATOM 1532 N ILE A 99 124.909 -18.456 -1.142 1.00 0.00 N ATOM 1533 CA ILE A 99 125.124 -19.762 -1.840 1.00 0.00 C ATOM 1534 C ILE A 99 124.412 -19.748 -3.197 1.00 0.00 C ATOM 1535 O ILE A 99 123.266 -19.350 -3.299 1.00 0.00 O ATOM 1536 CB ILE A 99 124.513 -20.825 -0.918 1.00 0.00 C ATOM 1537 CG1 ILE A 99 125.193 -20.774 0.457 1.00 0.00 C ATOM 1538 CG2 ILE A 99 124.718 -22.217 -1.525 1.00 0.00 C ATOM 1539 CD1 ILE A 99 124.475 -21.721 1.420 1.00 0.00 C ATOM 0 H ILE A 99 123.938 -18.248 -0.909 1.00 0.00 H new ATOM 0 HA ILE A 99 126.179 -19.960 -2.031 1.00 0.00 H new ATOM 0 HB ILE A 99 123.447 -20.626 -0.807 1.00 0.00 H new ATOM 0 HG12 ILE A 99 126.241 -21.058 0.366 1.00 0.00 H new ATOM 0 HG13 ILE A 99 125.171 -19.757 0.847 1.00 0.00 H new ATOM 0 HG21 ILE A 99 124.282 -22.969 -0.867 1.00 0.00 H new ATOM 0 HG22 ILE A 99 124.233 -22.264 -2.500 1.00 0.00 H new ATOM 0 HG23 ILE A 99 125.785 -22.410 -1.641 1.00 0.00 H new ATOM 0 HD11 ILE A 99 124.959 -21.684 2.396 1.00 0.00 H new ATOM 0 HD12 ILE A 99 123.433 -21.417 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 99 124.520 -22.738 1.031 1.00 0.00 H new ATOM 1551 N LEU A 100 125.086 -20.182 -4.234 1.00 0.00 N ATOM 1552 CA LEU A 100 124.463 -20.196 -5.592 1.00 0.00 C ATOM 1553 C LEU A 100 123.984 -21.609 -5.941 1.00 0.00 C ATOM 1554 O LEU A 100 124.720 -22.570 -5.808 1.00 0.00 O ATOM 1555 CB LEU A 100 125.576 -19.757 -6.543 1.00 0.00 C ATOM 1556 CG LEU A 100 125.010 -19.604 -7.956 1.00 0.00 C ATOM 1557 CD1 LEU A 100 124.135 -18.351 -8.024 1.00 0.00 C ATOM 1558 CD2 LEU A 100 126.163 -19.473 -8.955 1.00 0.00 C ATOM 0 H LEU A 100 126.045 -20.528 -4.197 1.00 0.00 H new ATOM 0 HA LEU A 100 123.593 -19.542 -5.654 1.00 0.00 H new ATOM 0 HB2 LEU A 100 126.004 -18.813 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 100 126.382 -20.491 -6.540 1.00 0.00 H new ATOM 0 HG LEU A 100 124.410 -20.480 -8.203 1.00 0.00 H new ATOM 0 HD11 LEU A 100 123.732 -18.243 -9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 100 123.314 -18.441 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU A 100 124.734 -17.475 -7.777 1.00 0.00 H new ATOM 0 HD21 LEU A 100 125.761 -19.364 -9.962 1.00 0.00 H new ATOM 0 HD22 LEU A 100 126.762 -18.597 -8.706 1.00 0.00 H new ATOM 0 HD23 LEU A 100 126.788 -20.365 -8.908 1.00 0.00 H new ATOM 1570 N GLY A 101 122.758 -21.735 -6.384 1.00 0.00 N ATOM 1571 CA GLY A 101 122.216 -23.080 -6.745 1.00 0.00 C ATOM 1572 C GLY A 101 120.687 -23.042 -6.708 1.00 0.00 C ATOM 1573 O GLY A 101 120.121 -22.154 -7.323 1.00 0.00 O ATOM 1574 OXT GLY A 101 120.109 -23.902 -6.064 1.00 0.00 O ATOM 0 H GLY A 101 122.107 -20.960 -6.511 1.00 0.00 H new ATOM 0 HA2 GLY A 101 122.559 -23.367 -7.739 1.00 0.00 H new ATOM 0 HA3 GLY A 101 122.588 -23.832 -6.050 1.00 0.00 H new TER 1578 GLY A 101