USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 838 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 92 GLN : amide:sc= -1.54 K(o=-2,f=-0.72!) USER MOD Set 1.2: A 97 GLN : amide:sc= -0.455 K(o=-2,f=0.73) USER MOD Set 2.1: A 87 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 90 MET CE :methyl -125:sc= 0 (180deg=-0.186) USER MOD Set 3.1: A 32 THR OG1 : rot -103:sc= 0.586 USER MOD Set 3.2: A 34 HIS : no HE2:sc= -0.619 K(o=-0.033,f=-4) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 41:sc= 0.0911 USER MOD Single : A 6 SER OG : rot 40:sc= 1.12 USER MOD Single : A 10 CYS SG : rot -17:sc= 0.272 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -1.16 K(o=-1.2,f=-3.4!) USER MOD Single : A 15 GLN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0112 X(o=-0.011,f=0.35) USER MOD Single : A 26 SER OG : rot 52:sc= 0.509 USER MOD Single : A 35 SER OG : rot 180:sc= -0.833 USER MOD Single : A 38 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 50 GLN : amide:sc=-0.00785 X(o=-0.0079,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 19:sc= 1.11 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.00333 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.104 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 78 MET CE :methyl 155:sc= -3.82! (180deg=-4.75!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl 134:sc= -2.35! (180deg=-4.67!) USER MOD Single : A 83 SER OG : rot 80:sc= 0.908 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.0656 USER MOD Single : A 85 TYR OH : rot -34:sc= 0.916 USER MOD Single : A 86 TYR OH : rot 163:sc= -5.43! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -0.115 K(o=-0.12,f=-0.81) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 108 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc=-0.00286 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 22.652 -0.005 -10.847 1.00 0.00 N ATOM 2 CA GLY A 1 23.919 -0.684 -11.062 1.00 0.00 C ATOM 3 C GLY A 1 24.278 -1.567 -9.865 1.00 0.00 C ATOM 4 O GLY A 1 24.405 -2.782 -10.001 1.00 0.00 O ATOM 0 H1 GLY A 1 22.431 0.587 -11.673 1.00 0.00 H new ATOM 0 H2 GLY A 1 21.899 -0.710 -10.715 1.00 0.00 H new ATOM 0 H3 GLY A 1 22.719 0.594 -9.999 1.00 0.00 H new ATOM 0 HA2 GLY A 1 23.860 -1.294 -11.964 1.00 0.00 H new ATOM 0 HA3 GLY A 1 24.707 0.051 -11.225 1.00 0.00 H new ATOM 8 N SER A 2 24.430 -0.920 -8.718 1.00 0.00 N ATOM 9 CA SER A 2 24.772 -1.632 -7.498 1.00 0.00 C ATOM 10 C SER A 2 24.229 -0.877 -6.283 1.00 0.00 C ATOM 11 O SER A 2 23.818 0.277 -6.397 1.00 0.00 O ATOM 12 CB SER A 2 26.286 -1.818 -7.374 1.00 0.00 C ATOM 13 OG SER A 2 26.991 -0.593 -7.556 1.00 0.00 O ATOM 0 H SER A 2 24.323 0.088 -8.608 1.00 0.00 H new ATOM 0 HA SER A 2 24.314 -2.620 -7.539 1.00 0.00 H new ATOM 0 HB2 SER A 2 26.522 -2.229 -6.393 1.00 0.00 H new ATOM 0 HB3 SER A 2 26.624 -2.544 -8.113 1.00 0.00 H new ATOM 0 HG SER A 2 27.954 -0.753 -7.468 1.00 0.00 H new ATOM 19 N SER A 3 24.243 -1.560 -5.147 1.00 0.00 N ATOM 20 CA SER A 3 23.757 -0.969 -3.912 1.00 0.00 C ATOM 21 C SER A 3 24.707 0.139 -3.453 1.00 0.00 C ATOM 22 O SER A 3 25.727 -0.135 -2.823 1.00 0.00 O ATOM 23 CB SER A 3 23.606 -2.026 -2.817 1.00 0.00 C ATOM 24 OG SER A 3 22.322 -2.644 -2.845 1.00 0.00 O ATOM 0 H SER A 3 24.583 -2.517 -5.056 1.00 0.00 H new ATOM 0 HA SER A 3 22.773 -0.540 -4.102 1.00 0.00 H new ATOM 0 HB2 SER A 3 24.377 -2.787 -2.939 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.765 -1.564 -1.843 1.00 0.00 H new ATOM 0 HG SER A 3 22.266 -3.314 -2.132 1.00 0.00 H new ATOM 30 N GLY A 4 24.338 1.367 -3.787 1.00 0.00 N ATOM 31 CA GLY A 4 25.145 2.518 -3.417 1.00 0.00 C ATOM 32 C GLY A 4 25.075 2.774 -1.910 1.00 0.00 C ATOM 33 O GLY A 4 25.763 2.115 -1.132 1.00 0.00 O ATOM 0 H GLY A 4 23.491 1.590 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY A 4 26.181 2.351 -3.714 1.00 0.00 H new ATOM 0 HA3 GLY A 4 24.797 3.399 -3.956 1.00 0.00 H new ATOM 37 N SER A 5 24.238 3.733 -1.543 1.00 0.00 N ATOM 38 CA SER A 5 24.069 4.085 -0.144 1.00 0.00 C ATOM 39 C SER A 5 22.699 4.731 0.072 1.00 0.00 C ATOM 40 O SER A 5 22.429 5.811 -0.451 1.00 0.00 O ATOM 41 CB SER A 5 25.180 5.027 0.325 1.00 0.00 C ATOM 42 OG SER A 5 25.393 6.099 -0.589 1.00 0.00 O ATOM 0 H SER A 5 23.669 4.278 -2.191 1.00 0.00 H new ATOM 0 HA SER A 5 24.130 3.172 0.448 1.00 0.00 H new ATOM 0 HB2 SER A 5 24.923 5.431 1.304 1.00 0.00 H new ATOM 0 HB3 SER A 5 26.106 4.464 0.445 1.00 0.00 H new ATOM 0 HG SER A 5 24.529 6.432 -0.910 1.00 0.00 H new ATOM 48 N SER A 6 21.871 4.043 0.844 1.00 0.00 N ATOM 49 CA SER A 6 20.535 4.537 1.135 1.00 0.00 C ATOM 50 C SER A 6 20.118 4.116 2.546 1.00 0.00 C ATOM 51 O SER A 6 19.684 2.985 2.757 1.00 0.00 O ATOM 52 CB SER A 6 19.523 4.026 0.108 1.00 0.00 C ATOM 53 OG SER A 6 19.369 2.611 0.168 1.00 0.00 O ATOM 0 H SER A 6 22.099 3.148 1.277 1.00 0.00 H new ATOM 0 HA SER A 6 20.552 5.625 1.077 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.558 4.503 0.281 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.846 4.313 -0.893 1.00 0.00 H new ATOM 0 HG SER A 6 19.371 2.321 1.104 1.00 0.00 H new ATOM 59 N GLY A 7 20.265 5.050 3.475 1.00 0.00 N ATOM 60 CA GLY A 7 19.909 4.790 4.859 1.00 0.00 C ATOM 61 C GLY A 7 18.395 4.633 5.016 1.00 0.00 C ATOM 62 O GLY A 7 17.631 5.036 4.139 1.00 0.00 O ATOM 0 H GLY A 7 20.626 5.987 3.296 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.410 3.885 5.203 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.261 5.608 5.488 1.00 0.00 H new ATOM 66 N PRO A 8 17.995 4.032 6.168 1.00 0.00 N ATOM 67 CA PRO A 8 16.586 3.817 6.451 1.00 0.00 C ATOM 68 C PRO A 8 15.903 5.125 6.856 1.00 0.00 C ATOM 69 O PRO A 8 15.319 5.216 7.935 1.00 0.00 O ATOM 70 CB PRO A 8 16.561 2.768 7.551 1.00 0.00 C ATOM 71 CG PRO A 8 17.951 2.775 8.165 1.00 0.00 C ATOM 72 CD PRO A 8 18.871 3.542 7.229 1.00 0.00 C ATOM 0 HA PRO A 8 16.029 3.473 5.579 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.803 3.003 8.298 1.00 0.00 H new ATOM 0 HB3 PRO A 8 16.317 1.785 7.148 1.00 0.00 H new ATOM 0 HG2 PRO A 8 17.931 3.243 9.149 1.00 0.00 H new ATOM 0 HG3 PRO A 8 18.312 1.756 8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 8 19.365 4.365 7.746 1.00 0.00 H new ATOM 0 HD3 PRO A 8 19.655 2.899 6.830 1.00 0.00 H new ATOM 80 N PHE A 9 15.998 6.105 5.969 1.00 0.00 N ATOM 81 CA PHE A 9 15.396 7.403 6.221 1.00 0.00 C ATOM 82 C PHE A 9 14.355 7.741 5.152 1.00 0.00 C ATOM 83 O PHE A 9 14.698 7.947 3.989 1.00 0.00 O ATOM 84 CB PHE A 9 16.523 8.437 6.163 1.00 0.00 C ATOM 85 CG PHE A 9 16.982 8.933 7.536 1.00 0.00 C ATOM 86 CD1 PHE A 9 16.067 9.179 8.511 1.00 0.00 C ATOM 87 CD2 PHE A 9 18.306 9.130 7.780 1.00 0.00 C ATOM 88 CE1 PHE A 9 16.493 9.640 9.785 1.00 0.00 C ATOM 89 CE2 PHE A 9 18.732 9.591 9.053 1.00 0.00 C ATOM 90 CZ PHE A 9 17.817 9.836 10.029 1.00 0.00 C ATOM 0 H PHE A 9 16.483 6.026 5.075 1.00 0.00 H new ATOM 0 HA PHE A 9 14.896 7.400 7.189 1.00 0.00 H new ATOM 0 HB2 PHE A 9 17.375 8.002 5.641 1.00 0.00 H new ATOM 0 HB3 PHE A 9 16.190 9.290 5.572 1.00 0.00 H new ATOM 0 HD1 PHE A 9 15.016 9.024 8.317 1.00 0.00 H new ATOM 0 HD2 PHE A 9 19.033 8.936 7.005 1.00 0.00 H new ATOM 0 HE1 PHE A 9 15.766 9.835 10.560 1.00 0.00 H new ATOM 0 HE2 PHE A 9 19.783 9.747 9.247 1.00 0.00 H new ATOM 0 HZ PHE A 9 18.141 10.186 10.998 1.00 0.00 H new ATOM 100 N CYS A 10 13.103 7.787 5.584 1.00 0.00 N ATOM 101 CA CYS A 10 12.010 8.097 4.679 1.00 0.00 C ATOM 102 C CYS A 10 12.226 9.508 4.129 1.00 0.00 C ATOM 103 O CYS A 10 11.867 10.492 4.774 1.00 0.00 O ATOM 104 CB CYS A 10 10.650 7.954 5.365 1.00 0.00 C ATOM 105 SG CYS A 10 9.313 7.981 4.116 1.00 0.00 S ATOM 0 H CYS A 10 12.822 7.615 6.549 1.00 0.00 H new ATOM 0 HA CYS A 10 12.004 7.384 3.854 1.00 0.00 H new ATOM 0 HB2 CYS A 10 10.614 7.022 5.928 1.00 0.00 H new ATOM 0 HB3 CYS A 10 10.507 8.764 6.080 1.00 0.00 H new ATOM 0 HG CYS A 10 9.772 8.464 3.000 1.00 0.00 H new ATOM 111 N ALA A 11 12.813 9.563 2.942 1.00 0.00 N ATOM 112 CA ALA A 11 13.082 10.837 2.298 1.00 0.00 C ATOM 113 C ALA A 11 12.453 10.841 0.904 1.00 0.00 C ATOM 114 O ALA A 11 11.893 9.836 0.468 1.00 0.00 O ATOM 115 CB ALA A 11 14.592 11.080 2.258 1.00 0.00 C ATOM 0 H ALA A 11 13.110 8.745 2.410 1.00 0.00 H new ATOM 0 HA ALA A 11 12.636 11.655 2.863 1.00 0.00 H new ATOM 0 HB1 ALA A 11 14.794 12.036 1.775 1.00 0.00 H new ATOM 0 HB2 ALA A 11 14.985 11.097 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 11 15.074 10.280 1.696 1.00 0.00 H new ATOM 121 N MET A 12 12.566 11.983 0.242 1.00 0.00 N ATOM 122 CA MET A 12 12.016 12.132 -1.095 1.00 0.00 C ATOM 123 C MET A 12 10.586 11.590 -1.162 1.00 0.00 C ATOM 124 O MET A 12 10.373 10.431 -1.513 1.00 0.00 O ATOM 125 CB MET A 12 12.895 11.378 -2.096 1.00 0.00 C ATOM 126 CG MET A 12 13.518 12.340 -3.110 1.00 0.00 C ATOM 127 SD MET A 12 15.205 11.863 -3.445 1.00 0.00 S ATOM 128 CE MET A 12 15.872 13.433 -3.972 1.00 0.00 C ATOM 0 H MET A 12 13.031 12.815 0.607 1.00 0.00 H new ATOM 0 HA MET A 12 11.995 13.193 -1.343 1.00 0.00 H new ATOM 0 HB2 MET A 12 13.682 10.844 -1.564 1.00 0.00 H new ATOM 0 HB3 MET A 12 12.299 10.630 -2.618 1.00 0.00 H new ATOM 0 HG2 MET A 12 12.939 12.333 -4.034 1.00 0.00 H new ATOM 0 HG3 MET A 12 13.489 13.359 -2.723 1.00 0.00 H new ATOM 0 HE1 MET A 12 16.926 13.315 -4.222 1.00 0.00 H new ATOM 0 HE2 MET A 12 15.328 13.783 -4.849 1.00 0.00 H new ATOM 0 HE3 MET A 12 15.769 14.161 -3.167 1.00 0.00 H new ATOM 138 N GLU A 13 9.643 12.456 -0.820 1.00 0.00 N ATOM 139 CA GLU A 13 8.240 12.080 -0.837 1.00 0.00 C ATOM 140 C GLU A 13 7.361 13.318 -1.027 1.00 0.00 C ATOM 141 O GLU A 13 7.445 14.268 -0.250 1.00 0.00 O ATOM 142 CB GLU A 13 7.859 11.326 0.439 1.00 0.00 C ATOM 143 CG GLU A 13 7.425 9.894 0.121 1.00 0.00 C ATOM 144 CD GLU A 13 8.633 8.959 0.042 1.00 0.00 C ATOM 145 OE1 GLU A 13 9.456 9.015 0.981 1.00 0.00 O ATOM 146 OE2 GLU A 13 8.708 8.211 -0.957 1.00 0.00 O ATOM 0 H GLU A 13 9.824 13.417 -0.530 1.00 0.00 H new ATOM 0 HA GLU A 13 8.074 11.408 -1.679 1.00 0.00 H new ATOM 0 HB2 GLU A 13 8.708 11.309 1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 13 7.050 11.850 0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 13 6.737 9.540 0.888 1.00 0.00 H new ATOM 0 HG3 GLU A 13 6.884 9.876 -0.825 1.00 0.00 H new ATOM 153 N ASN A 14 6.537 13.266 -2.063 1.00 0.00 N ATOM 154 CA ASN A 14 5.643 14.371 -2.364 1.00 0.00 C ATOM 155 C ASN A 14 4.413 13.840 -3.104 1.00 0.00 C ATOM 156 O ASN A 14 3.283 14.190 -2.767 1.00 0.00 O ATOM 157 CB ASN A 14 6.326 15.403 -3.264 1.00 0.00 C ATOM 158 CG ASN A 14 7.147 14.718 -4.359 1.00 0.00 C ATOM 159 OD1 ASN A 14 8.066 13.960 -4.099 1.00 0.00 O ATOM 160 ND2 ASN A 14 6.764 15.027 -5.594 1.00 0.00 N ATOM 0 H ASN A 14 6.470 12.476 -2.705 1.00 0.00 H new ATOM 0 HA ASN A 14 5.362 14.843 -1.422 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.574 16.049 -3.718 1.00 0.00 H new ATOM 0 HB3 ASN A 14 6.974 16.042 -2.664 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.249 14.622 -6.395 1.00 0.00 H new ATOM 0 HD22 ASN A 14 5.986 15.670 -5.741 1.00 0.00 H new ATOM 167 N GLN A 15 4.675 13.003 -4.097 1.00 0.00 N ATOM 168 CA GLN A 15 3.604 12.420 -4.887 1.00 0.00 C ATOM 169 C GLN A 15 2.742 11.503 -4.017 1.00 0.00 C ATOM 170 O GLN A 15 3.183 11.048 -2.962 1.00 0.00 O ATOM 171 CB GLN A 15 4.162 11.665 -6.095 1.00 0.00 C ATOM 172 CG GLN A 15 4.930 10.418 -5.655 1.00 0.00 C ATOM 173 CD GLN A 15 5.086 9.432 -6.815 1.00 0.00 C ATOM 174 OE1 GLN A 15 6.097 9.392 -7.498 1.00 0.00 O ATOM 175 NE2 GLN A 15 4.032 8.642 -7.000 1.00 0.00 N ATOM 0 H GLN A 15 5.614 12.715 -4.373 1.00 0.00 H new ATOM 0 HA GLN A 15 2.976 13.227 -5.264 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.346 11.379 -6.758 1.00 0.00 H new ATOM 0 HB3 GLN A 15 4.821 12.320 -6.665 1.00 0.00 H new ATOM 0 HG2 GLN A 15 5.913 10.705 -5.282 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.405 9.935 -4.831 1.00 0.00 H new ATOM 0 HE21 GLN A 15 3.217 8.728 -6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 15 4.038 7.950 -7.750 1.00 0.00 H new ATOM 184 N VAL A 16 1.530 11.258 -4.491 1.00 0.00 N ATOM 185 CA VAL A 16 0.602 10.403 -3.770 1.00 0.00 C ATOM 186 C VAL A 16 1.019 8.942 -3.948 1.00 0.00 C ATOM 187 O VAL A 16 1.790 8.617 -4.850 1.00 0.00 O ATOM 188 CB VAL A 16 -0.830 10.676 -4.233 1.00 0.00 C ATOM 189 CG1 VAL A 16 -1.177 12.160 -4.093 1.00 0.00 C ATOM 190 CG2 VAL A 16 -1.043 10.196 -5.670 1.00 0.00 C ATOM 0 H VAL A 16 1.168 11.637 -5.366 1.00 0.00 H new ATOM 0 HA VAL A 16 0.631 10.623 -2.703 1.00 0.00 H new ATOM 0 HB VAL A 16 -1.504 10.112 -3.589 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -2.200 12.328 -4.429 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.084 12.458 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.494 12.752 -4.702 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.069 10.402 -5.974 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.356 10.720 -6.334 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.856 9.124 -5.727 1.00 0.00 H new ATOM 200 N LEU A 17 0.492 8.098 -3.073 1.00 0.00 N ATOM 201 CA LEU A 17 0.800 6.679 -3.122 1.00 0.00 C ATOM 202 C LEU A 17 -0.304 5.948 -3.889 1.00 0.00 C ATOM 203 O LEU A 17 -1.482 6.274 -3.749 1.00 0.00 O ATOM 204 CB LEU A 17 1.034 6.133 -1.712 1.00 0.00 C ATOM 205 CG LEU A 17 0.919 4.615 -1.553 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.244 3.927 -1.885 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.416 4.247 -0.155 1.00 0.00 C ATOM 0 H LEU A 17 -0.147 8.370 -2.326 1.00 0.00 H new ATOM 0 HA LEU A 17 1.731 6.510 -3.663 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.028 6.438 -1.386 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.319 6.604 -1.038 1.00 0.00 H new ATOM 0 HG LEU A 17 0.180 4.252 -2.267 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.135 2.849 -1.764 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.522 4.150 -2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.021 4.291 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.343 3.163 -0.068 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.112 4.625 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.566 4.691 0.007 1.00 0.00 H new ATOM 219 N VAL A 18 0.116 4.974 -4.682 1.00 0.00 N ATOM 220 CA VAL A 18 -0.822 4.195 -5.471 1.00 0.00 C ATOM 221 C VAL A 18 -0.636 2.709 -5.156 1.00 0.00 C ATOM 222 O VAL A 18 0.408 2.133 -5.458 1.00 0.00 O ATOM 223 CB VAL A 18 -0.650 4.517 -6.957 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.587 3.664 -7.815 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.867 6.008 -7.224 1.00 0.00 C ATOM 0 H VAL A 18 1.094 4.706 -4.795 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.848 4.456 -5.212 1.00 0.00 H new ATOM 0 HB VAL A 18 0.375 4.273 -7.236 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.445 3.913 -8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.364 2.609 -7.658 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.621 3.862 -7.532 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.739 6.210 -8.288 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.875 6.289 -6.920 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.141 6.589 -6.655 1.00 0.00 H new ATOM 235 N ILE A 19 -1.665 2.131 -4.554 1.00 0.00 N ATOM 236 CA ILE A 19 -1.628 0.724 -4.195 1.00 0.00 C ATOM 237 C ILE A 19 -2.324 -0.095 -5.284 1.00 0.00 C ATOM 238 O ILE A 19 -3.483 0.157 -5.609 1.00 0.00 O ATOM 239 CB ILE A 19 -2.214 0.512 -2.797 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.371 1.222 -1.736 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.381 -0.978 -2.493 1.00 0.00 C ATOM 242 CD1 ILE A 19 -2.118 1.297 -0.403 1.00 0.00 C ATOM 0 H ILE A 19 -2.530 2.612 -4.306 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.598 0.372 -4.141 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.208 0.959 -2.772 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.429 0.691 -1.600 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -1.124 2.228 -2.076 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.799 -1.101 -1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.053 -1.426 -3.225 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.410 -1.471 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.497 1.806 0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -3.048 1.849 -0.538 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.342 0.289 -0.054 1.00 0.00 H new ATOM 254 N ARG A 20 -1.587 -1.058 -5.818 1.00 0.00 N ATOM 255 CA ARG A 20 -2.119 -1.915 -6.864 1.00 0.00 C ATOM 256 C ARG A 20 -2.478 -3.288 -6.293 1.00 0.00 C ATOM 257 O ARG A 20 -1.596 -4.103 -6.025 1.00 0.00 O ATOM 258 CB ARG A 20 -1.109 -2.090 -7.999 1.00 0.00 C ATOM 259 CG ARG A 20 -1.457 -3.306 -8.860 1.00 0.00 C ATOM 260 CD ARG A 20 -0.472 -3.456 -10.020 1.00 0.00 C ATOM 261 NE ARG A 20 -0.776 -4.685 -10.787 1.00 0.00 N ATOM 262 CZ ARG A 20 0.063 -5.249 -11.667 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.262 -4.698 -11.897 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.298 -6.364 -12.317 1.00 0.00 N ATOM 0 H ARG A 20 -0.626 -1.264 -5.546 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.015 -1.437 -7.261 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.094 -1.193 -8.619 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.108 -2.208 -7.585 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.442 -4.207 -8.246 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.470 -3.203 -9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.532 -2.586 -10.673 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.548 -3.499 -9.638 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.681 -5.131 -10.636 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.537 -3.849 -11.402 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.901 -5.127 -12.567 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.211 -6.783 -12.142 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.340 -6.793 -12.987 1.00 0.00 H new ATOM 278 N ILE A 21 -3.775 -3.504 -6.124 1.00 0.00 N ATOM 279 CA ILE A 21 -4.261 -4.765 -5.591 1.00 0.00 C ATOM 280 C ILE A 21 -4.327 -5.798 -6.717 1.00 0.00 C ATOM 281 O ILE A 21 -5.086 -5.634 -7.671 1.00 0.00 O ATOM 282 CB ILE A 21 -5.591 -4.561 -4.863 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.393 -3.768 -3.570 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.289 -5.899 -4.613 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.729 -2.289 -3.777 1.00 0.00 C ATOM 0 H ILE A 21 -4.504 -2.826 -6.347 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.571 -5.154 -4.842 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.245 -3.971 -5.505 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -6.026 -4.182 -2.785 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.361 -3.867 -3.233 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.232 -5.726 -4.094 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.484 -6.391 -5.566 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.649 -6.534 -4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.580 -1.748 -2.843 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.078 -1.872 -4.546 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.769 -2.192 -4.090 1.00 0.00 H new ATOM 297 N LYS A 22 -3.523 -6.841 -6.569 1.00 0.00 N ATOM 298 CA LYS A 22 -3.482 -7.901 -7.561 1.00 0.00 C ATOM 299 C LYS A 22 -4.794 -8.687 -7.518 1.00 0.00 C ATOM 300 O LYS A 22 -4.951 -9.595 -6.703 1.00 0.00 O ATOM 301 CB LYS A 22 -2.238 -8.770 -7.365 1.00 0.00 C ATOM 302 CG LYS A 22 -2.326 -10.050 -8.200 1.00 0.00 C ATOM 303 CD LYS A 22 -2.246 -9.736 -9.695 1.00 0.00 C ATOM 304 CE LYS A 22 -0.896 -10.166 -10.273 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.034 -11.434 -11.023 1.00 0.00 N ATOM 0 H LYS A 22 -2.895 -6.974 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.395 -7.481 -8.563 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.349 -8.207 -7.648 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.131 -9.026 -6.311 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -1.517 -10.726 -7.923 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.261 -10.567 -7.983 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.051 -10.248 -10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.390 -8.667 -9.854 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.511 -9.387 -10.931 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -0.172 -10.290 -9.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.109 -11.712 -11.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.381 -12.179 -10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -1.709 -11.304 -11.803 1.00 0.00 H new ATOM 319 N ILE A 23 -5.703 -8.308 -8.404 1.00 0.00 N ATOM 320 CA ILE A 23 -6.996 -8.966 -8.477 1.00 0.00 C ATOM 321 C ILE A 23 -6.810 -10.391 -9.003 1.00 0.00 C ATOM 322 O ILE A 23 -5.998 -10.625 -9.897 1.00 0.00 O ATOM 323 CB ILE A 23 -7.977 -8.129 -9.301 1.00 0.00 C ATOM 324 CG1 ILE A 23 -7.948 -6.663 -8.865 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.388 -8.718 -9.238 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.118 -6.344 -7.933 1.00 0.00 C ATOM 0 H ILE A 23 -5.570 -7.554 -9.077 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.438 -9.048 -7.484 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.661 -8.161 -10.344 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.007 -6.449 -8.359 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.992 -6.018 -9.743 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.065 -8.104 -9.832 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.376 -9.733 -9.634 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -9.729 -8.737 -8.203 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.073 -5.296 -7.638 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.058 -6.536 -8.450 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.058 -6.973 -7.045 1.00 0.00 H new ATOM 338 N PRO A 24 -7.597 -11.329 -8.411 1.00 0.00 N ATOM 339 CA PRO A 24 -7.527 -12.724 -8.811 1.00 0.00 C ATOM 340 C PRO A 24 -8.218 -12.944 -10.158 1.00 0.00 C ATOM 341 O PRO A 24 -9.442 -12.861 -10.252 1.00 0.00 O ATOM 342 CB PRO A 24 -8.181 -13.492 -7.675 1.00 0.00 C ATOM 343 CG PRO A 24 -9.005 -12.474 -6.903 1.00 0.00 C ATOM 344 CD PRO A 24 -8.570 -11.088 -7.350 1.00 0.00 C ATOM 0 HA PRO A 24 -6.504 -13.066 -8.968 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -8.811 -14.295 -8.058 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.431 -13.954 -7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.068 -12.620 -7.093 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.853 -12.594 -5.830 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.416 -10.506 -7.714 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.127 -10.527 -6.527 1.00 0.00 H new ATOM 352 N ASN A 25 -7.405 -13.221 -11.166 1.00 0.00 N ATOM 353 CA ASN A 25 -7.923 -13.454 -12.504 1.00 0.00 C ATOM 354 C ASN A 25 -8.806 -12.274 -12.916 1.00 0.00 C ATOM 355 O ASN A 25 -9.945 -12.465 -13.341 1.00 0.00 O ATOM 356 CB ASN A 25 -8.777 -14.723 -12.551 1.00 0.00 C ATOM 357 CG ASN A 25 -8.747 -15.352 -13.945 1.00 0.00 C ATOM 358 OD1 ASN A 25 -9.290 -14.827 -14.903 1.00 0.00 O ATOM 359 ND2 ASN A 25 -8.085 -16.504 -14.004 1.00 0.00 N ATOM 0 H ASN A 25 -6.391 -13.290 -11.084 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.075 -13.565 -13.180 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -8.410 -15.440 -11.817 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.805 -14.484 -12.278 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.009 -17.004 -14.890 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.654 -16.888 -13.163 1.00 0.00 H new ATOM 366 N SER A 26 -8.248 -11.081 -12.776 1.00 0.00 N ATOM 367 CA SER A 26 -8.970 -9.871 -13.129 1.00 0.00 C ATOM 368 C SER A 26 -8.044 -8.658 -13.022 1.00 0.00 C ATOM 369 O SER A 26 -8.384 -7.667 -12.377 1.00 0.00 O ATOM 370 CB SER A 26 -10.197 -9.681 -12.235 1.00 0.00 C ATOM 371 OG SER A 26 -11.401 -10.071 -12.890 1.00 0.00 O ATOM 0 H SER A 26 -7.304 -10.926 -12.423 1.00 0.00 H new ATOM 0 HA SER A 26 -9.315 -9.967 -14.159 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.075 -10.265 -11.323 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.269 -8.635 -11.936 1.00 0.00 H new ATOM 0 HG SER A 26 -11.301 -10.979 -13.245 1.00 0.00 H new ATOM 377 N GLY A 27 -6.891 -8.776 -13.664 1.00 0.00 N ATOM 378 CA GLY A 27 -5.912 -7.702 -13.649 1.00 0.00 C ATOM 379 C GLY A 27 -5.653 -7.217 -12.222 1.00 0.00 C ATOM 380 O GLY A 27 -5.414 -8.021 -11.323 1.00 0.00 O ATOM 0 H GLY A 27 -6.613 -9.599 -14.198 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.979 -8.049 -14.094 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.268 -6.872 -14.260 1.00 0.00 H new ATOM 384 N ALA A 28 -5.708 -5.903 -12.058 1.00 0.00 N ATOM 385 CA ALA A 28 -5.482 -5.301 -10.755 1.00 0.00 C ATOM 386 C ALA A 28 -6.094 -3.899 -10.733 1.00 0.00 C ATOM 387 O ALA A 28 -6.377 -3.324 -11.784 1.00 0.00 O ATOM 388 CB ALA A 28 -3.982 -5.287 -10.453 1.00 0.00 C ATOM 0 H ALA A 28 -5.906 -5.239 -12.806 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.967 -5.885 -9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.812 -4.835 -9.476 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.601 -6.308 -10.452 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.463 -4.707 -11.216 1.00 0.00 H new ATOM 394 N VAL A 29 -6.280 -3.388 -9.525 1.00 0.00 N ATOM 395 CA VAL A 29 -6.853 -2.064 -9.352 1.00 0.00 C ATOM 396 C VAL A 29 -5.885 -1.195 -8.546 1.00 0.00 C ATOM 397 O VAL A 29 -5.158 -1.699 -7.692 1.00 0.00 O ATOM 398 CB VAL A 29 -8.237 -2.172 -8.709 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.700 -0.816 -8.173 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.255 -2.749 -9.695 1.00 0.00 C ATOM 0 H VAL A 29 -6.044 -3.867 -8.656 1.00 0.00 H new ATOM 0 HA VAL A 29 -6.996 -1.581 -10.319 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.162 -2.857 -7.865 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.686 -0.921 -7.721 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.993 -0.461 -7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.751 -0.099 -8.992 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.231 -2.816 -9.213 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.325 -2.100 -10.568 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -8.936 -3.743 -10.007 1.00 0.00 H new ATOM 410 N ASP A 30 -5.908 0.095 -8.845 1.00 0.00 N ATOM 411 CA ASP A 30 -5.042 1.038 -8.158 1.00 0.00 C ATOM 412 C ASP A 30 -5.884 1.909 -7.223 1.00 0.00 C ATOM 413 O ASP A 30 -6.832 2.559 -7.659 1.00 0.00 O ATOM 414 CB ASP A 30 -4.334 1.961 -9.153 1.00 0.00 C ATOM 415 CG ASP A 30 -5.171 3.142 -9.648 1.00 0.00 C ATOM 416 OD1 ASP A 30 -5.906 2.941 -10.639 1.00 0.00 O ATOM 417 OD2 ASP A 30 -5.057 4.219 -9.024 1.00 0.00 O ATOM 0 H ASP A 30 -6.513 0.510 -9.554 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.298 0.469 -7.601 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.428 2.348 -8.686 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.021 1.370 -10.014 1.00 0.00 H new ATOM 422 N TRP A 31 -5.506 1.893 -5.953 1.00 0.00 N ATOM 423 CA TRP A 31 -6.214 2.672 -4.952 1.00 0.00 C ATOM 424 C TRP A 31 -5.459 3.988 -4.756 1.00 0.00 C ATOM 425 O TRP A 31 -4.418 4.019 -4.101 1.00 0.00 O ATOM 426 CB TRP A 31 -6.379 1.878 -3.654 1.00 0.00 C ATOM 427 CG TRP A 31 -6.792 2.730 -2.452 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.538 3.843 -2.447 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.451 2.490 -1.070 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.701 4.337 -1.168 1.00 0.00 N ATOM 431 CE2 TRP A 31 -7.019 3.487 -0.305 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.687 1.464 -0.487 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.884 3.557 1.087 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.561 1.547 0.905 1.00 0.00 C ATOM 435 CH2 TRP A 31 -6.127 2.545 1.690 1.00 0.00 C ATOM 0 H TRP A 31 -4.719 1.353 -5.595 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.227 2.898 -5.285 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -7.126 1.100 -3.809 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.439 1.376 -3.425 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.959 4.297 -3.332 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -8.225 5.172 -0.905 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -5.233 0.674 -1.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -7.339 4.348 1.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.984 0.782 1.404 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.983 2.540 2.760 1.00 0.00 H new ATOM 446 N THR A 32 -6.012 5.043 -5.336 1.00 0.00 N ATOM 447 CA THR A 32 -5.403 6.359 -5.233 1.00 0.00 C ATOM 448 C THR A 32 -5.295 6.784 -3.767 1.00 0.00 C ATOM 449 O THR A 32 -6.273 7.238 -3.175 1.00 0.00 O ATOM 450 CB THR A 32 -6.223 7.327 -6.088 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.729 8.614 -5.726 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.697 7.365 -5.679 1.00 0.00 C ATOM 0 H THR A 32 -6.875 5.014 -5.879 1.00 0.00 H new ATOM 0 HA THR A 32 -4.381 6.353 -5.612 1.00 0.00 H new ATOM 0 HB THR A 32 -6.145 7.041 -7.137 1.00 0.00 H new ATOM 0 HG1 THR A 32 -6.368 9.053 -5.127 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.234 8.067 -6.317 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.131 6.371 -5.788 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.778 7.684 -4.640 1.00 0.00 H new ATOM 460 N VAL A 33 -4.098 6.621 -3.223 1.00 0.00 N ATOM 461 CA VAL A 33 -3.850 6.982 -1.838 1.00 0.00 C ATOM 462 C VAL A 33 -3.047 8.283 -1.791 1.00 0.00 C ATOM 463 O VAL A 33 -1.948 8.359 -2.339 1.00 0.00 O ATOM 464 CB VAL A 33 -3.159 5.826 -1.112 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.943 6.159 0.366 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.951 4.527 -1.271 1.00 0.00 C ATOM 0 H VAL A 33 -3.289 6.244 -3.717 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.790 7.161 -1.315 1.00 0.00 H new ATOM 0 HB VAL A 33 -2.181 5.680 -1.570 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.450 5.321 0.859 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.319 7.048 0.451 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.906 6.345 0.842 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.438 3.721 -0.746 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.949 4.656 -0.852 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.031 4.277 -2.329 1.00 0.00 H new ATOM 476 N HIS A 34 -3.626 9.275 -1.130 1.00 0.00 N ATOM 477 CA HIS A 34 -2.977 10.570 -1.004 1.00 0.00 C ATOM 478 C HIS A 34 -2.279 10.664 0.354 1.00 0.00 C ATOM 479 O HIS A 34 -1.410 11.512 0.552 1.00 0.00 O ATOM 480 CB HIS A 34 -3.978 11.703 -1.236 1.00 0.00 C ATOM 481 CG HIS A 34 -4.760 11.579 -2.522 1.00 0.00 C ATOM 482 ND1 HIS A 34 -4.924 12.632 -3.405 1.00 0.00 N ATOM 483 CD2 HIS A 34 -5.420 10.516 -3.064 1.00 0.00 C ATOM 484 CE1 HIS A 34 -5.652 12.210 -4.428 1.00 0.00 C ATOM 485 NE2 HIS A 34 -5.959 10.899 -4.215 1.00 0.00 N ATOM 0 H HIS A 34 -4.537 9.208 -0.676 1.00 0.00 H new ATOM 0 HA HIS A 34 -2.213 10.675 -1.774 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -4.676 11.734 -0.400 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -3.442 12.652 -1.239 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -4.548 13.573 -3.288 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -5.492 9.530 -2.630 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -5.950 12.801 -5.281 1.00 0.00 H new ATOM 493 N SER A 35 -2.684 9.780 1.254 1.00 0.00 N ATOM 494 CA SER A 35 -2.109 9.753 2.588 1.00 0.00 C ATOM 495 C SER A 35 -1.188 8.540 2.736 1.00 0.00 C ATOM 496 O SER A 35 -1.281 7.801 3.714 1.00 0.00 O ATOM 497 CB SER A 35 -3.201 9.723 3.659 1.00 0.00 C ATOM 498 OG SER A 35 -3.442 11.015 4.211 1.00 0.00 O ATOM 0 H SER A 35 -3.404 9.077 1.085 1.00 0.00 H new ATOM 0 HA SER A 35 -1.526 10.664 2.727 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.123 9.336 3.226 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.910 9.037 4.455 1.00 0.00 H new ATOM 0 HG SER A 35 -4.147 10.955 4.890 1.00 0.00 H new ATOM 504 N GLY A 36 -0.318 8.374 1.749 1.00 0.00 N ATOM 505 CA GLY A 36 0.619 7.264 1.757 1.00 0.00 C ATOM 506 C GLY A 36 1.157 7.011 3.167 1.00 0.00 C ATOM 507 O GLY A 36 1.108 5.886 3.662 1.00 0.00 O ATOM 0 H GLY A 36 -0.243 8.990 0.939 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.127 6.365 1.385 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.447 7.477 1.081 1.00 0.00 H new ATOM 511 N PRO A 37 1.673 8.104 3.789 1.00 0.00 N ATOM 512 CA PRO A 37 2.221 8.012 5.132 1.00 0.00 C ATOM 513 C PRO A 37 1.105 7.903 6.173 1.00 0.00 C ATOM 514 O PRO A 37 1.207 7.123 7.119 1.00 0.00 O ATOM 515 CB PRO A 37 3.068 9.263 5.298 1.00 0.00 C ATOM 516 CG PRO A 37 2.595 10.232 4.227 1.00 0.00 C ATOM 517 CD PRO A 37 1.749 9.452 3.234 1.00 0.00 C ATOM 0 HA PRO A 37 2.824 7.116 5.280 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.943 9.690 6.293 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.127 9.036 5.179 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.014 11.039 4.672 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.446 10.692 3.725 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.758 9.892 3.127 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.205 9.447 2.244 1.00 0.00 H new ATOM 525 N GLN A 38 0.064 8.696 5.964 1.00 0.00 N ATOM 526 CA GLN A 38 -1.070 8.698 6.872 1.00 0.00 C ATOM 527 C GLN A 38 -2.056 7.592 6.493 1.00 0.00 C ATOM 528 O GLN A 38 -3.261 7.827 6.420 1.00 0.00 O ATOM 529 CB GLN A 38 -1.758 10.065 6.886 1.00 0.00 C ATOM 530 CG GLN A 38 -2.700 10.191 8.085 1.00 0.00 C ATOM 531 CD GLN A 38 -3.168 11.637 8.264 1.00 0.00 C ATOM 532 OE1 GLN A 38 -2.912 12.506 7.447 1.00 0.00 O ATOM 533 NE2 GLN A 38 -3.866 11.846 9.377 1.00 0.00 N ATOM 0 H GLN A 38 -0.018 9.342 5.179 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.704 8.501 7.880 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.007 10.854 6.924 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.319 10.204 5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.563 9.540 7.944 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.192 9.855 8.989 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -4.045 11.074 10.019 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.222 12.778 9.588 1.00 0.00 H new ATOM 542 N LEU A 39 -1.507 6.408 6.261 1.00 0.00 N ATOM 543 CA LEU A 39 -2.323 5.265 5.891 1.00 0.00 C ATOM 544 C LEU A 39 -2.219 4.195 6.980 1.00 0.00 C ATOM 545 O LEU A 39 -1.119 3.824 7.387 1.00 0.00 O ATOM 546 CB LEU A 39 -1.942 4.762 4.498 1.00 0.00 C ATOM 547 CG LEU A 39 -2.792 3.619 3.941 1.00 0.00 C ATOM 548 CD1 LEU A 39 -4.232 4.075 3.697 1.00 0.00 C ATOM 549 CD2 LEU A 39 -2.158 3.027 2.681 1.00 0.00 C ATOM 0 H LEU A 39 -0.507 6.216 6.322 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.372 5.553 5.825 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.996 5.600 3.803 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.902 4.436 4.523 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.827 2.825 4.687 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.815 3.243 3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.671 4.411 4.636 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -4.237 4.896 2.980 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.783 2.216 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.072 3.801 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.167 2.641 2.919 1.00 0.00 H new ATOM 561 N LEU A 40 -3.378 3.729 7.422 1.00 0.00 N ATOM 562 CA LEU A 40 -3.430 2.710 8.456 1.00 0.00 C ATOM 563 C LEU A 40 -3.748 1.357 7.816 1.00 0.00 C ATOM 564 O LEU A 40 -4.400 1.297 6.774 1.00 0.00 O ATOM 565 CB LEU A 40 -4.411 3.115 9.558 1.00 0.00 C ATOM 566 CG LEU A 40 -3.984 4.293 10.436 1.00 0.00 C ATOM 567 CD1 LEU A 40 -5.175 4.855 11.215 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.829 3.900 11.358 1.00 0.00 C ATOM 0 H LEU A 40 -4.289 4.039 7.083 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.461 2.612 8.945 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.366 3.361 9.094 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.581 2.251 10.201 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.619 5.089 9.787 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.845 5.691 11.831 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.938 5.198 10.516 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.592 4.076 11.853 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.545 4.756 11.971 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.142 3.079 12.003 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.975 3.585 10.758 1.00 0.00 H new ATOM 580 N PHE A 41 -3.274 0.305 8.467 1.00 0.00 N ATOM 581 CA PHE A 41 -3.500 -1.044 7.974 1.00 0.00 C ATOM 582 C PHE A 41 -4.985 -1.283 7.694 1.00 0.00 C ATOM 583 O PHE A 41 -5.346 -1.783 6.629 1.00 0.00 O ATOM 584 CB PHE A 41 -3.039 -2.004 9.073 1.00 0.00 C ATOM 585 CG PHE A 41 -3.190 -3.483 8.710 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.545 -3.986 7.624 1.00 0.00 C ATOM 587 CD2 PHE A 41 -3.970 -4.294 9.474 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.685 -5.358 7.288 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.110 -5.666 9.138 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.465 -6.170 8.052 1.00 0.00 C ATOM 0 H PHE A 41 -2.735 0.359 9.331 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.953 -1.198 7.044 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.993 -1.802 9.303 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.609 -1.803 9.980 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.926 -3.342 7.017 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.483 -3.894 10.336 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.172 -5.758 6.426 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.729 -6.310 9.745 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.572 -7.214 7.796 1.00 0.00 H new ATOM 600 N ARG A 42 -5.805 -0.916 8.667 1.00 0.00 N ATOM 601 CA ARG A 42 -7.243 -1.084 8.538 1.00 0.00 C ATOM 602 C ARG A 42 -7.741 -0.425 7.250 1.00 0.00 C ATOM 603 O ARG A 42 -8.335 -1.086 6.400 1.00 0.00 O ATOM 604 CB ARG A 42 -7.978 -0.474 9.733 1.00 0.00 C ATOM 605 CG ARG A 42 -8.568 -1.565 10.629 1.00 0.00 C ATOM 606 CD ARG A 42 -7.473 -2.501 11.145 1.00 0.00 C ATOM 607 NE ARG A 42 -7.990 -3.312 12.270 1.00 0.00 N ATOM 608 CZ ARG A 42 -8.065 -2.879 13.536 1.00 0.00 C ATOM 609 NH1 ARG A 42 -7.659 -1.640 13.846 1.00 0.00 N ATOM 610 NH2 ARG A 42 -8.548 -3.684 14.492 1.00 0.00 N ATOM 0 H ARG A 42 -5.501 -0.503 9.549 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.451 -2.154 8.506 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.290 0.144 10.311 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.774 0.181 9.379 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.087 -1.108 11.471 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.308 -2.138 10.071 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -7.133 -3.154 10.341 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -6.610 -1.920 11.471 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.309 -4.260 12.069 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -7.293 -1.026 13.118 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.716 -1.311 14.810 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.859 -4.627 14.256 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.605 -3.354 15.456 1.00 0.00 H new ATOM 624 N ASP A 43 -7.481 0.870 7.147 1.00 0.00 N ATOM 625 CA ASP A 43 -7.896 1.626 5.977 1.00 0.00 C ATOM 626 C ASP A 43 -7.750 0.749 4.731 1.00 0.00 C ATOM 627 O ASP A 43 -8.671 0.658 3.921 1.00 0.00 O ATOM 628 CB ASP A 43 -7.023 2.868 5.786 1.00 0.00 C ATOM 629 CG ASP A 43 -7.593 4.156 6.382 1.00 0.00 C ATOM 630 OD1 ASP A 43 -8.507 4.721 5.743 1.00 0.00 O ATOM 631 OD2 ASP A 43 -7.103 4.548 7.463 1.00 0.00 O ATOM 0 H ASP A 43 -6.988 1.415 7.854 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.932 1.932 6.123 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -6.047 2.680 6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.861 3.020 4.719 1.00 0.00 H new ATOM 636 N VAL A 44 -6.586 0.127 4.617 1.00 0.00 N ATOM 637 CA VAL A 44 -6.308 -0.739 3.484 1.00 0.00 C ATOM 638 C VAL A 44 -7.396 -1.810 3.387 1.00 0.00 C ATOM 639 O VAL A 44 -8.020 -1.974 2.340 1.00 0.00 O ATOM 640 CB VAL A 44 -4.900 -1.325 3.606 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.600 -2.276 2.446 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.850 -0.216 3.692 1.00 0.00 C ATOM 0 H VAL A 44 -5.824 0.206 5.291 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.329 -0.170 2.554 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.855 -1.900 4.531 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.593 -2.679 2.557 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.320 -3.094 2.450 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.672 -1.734 1.503 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.858 -0.660 3.778 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.896 0.399 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.047 0.404 4.566 1.00 0.00 H new ATOM 652 N LEU A 45 -7.590 -2.512 4.494 1.00 0.00 N ATOM 653 CA LEU A 45 -8.592 -3.564 4.547 1.00 0.00 C ATOM 654 C LEU A 45 -9.966 -2.969 4.237 1.00 0.00 C ATOM 655 O LEU A 45 -10.799 -3.617 3.606 1.00 0.00 O ATOM 656 CB LEU A 45 -8.527 -4.298 5.888 1.00 0.00 C ATOM 657 CG LEU A 45 -7.296 -5.178 6.113 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.813 -5.790 4.797 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.188 -4.400 6.824 1.00 0.00 C ATOM 0 H LEU A 45 -7.071 -2.373 5.361 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.393 -4.319 3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.571 -3.558 6.687 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.416 -4.921 5.982 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.580 -6.002 6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.937 -6.411 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.606 -6.402 4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.551 -4.994 4.100 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.325 -5.049 6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.898 -3.543 6.216 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.550 -4.053 7.792 1.00 0.00 H new ATOM 671 N ASP A 46 -10.161 -1.741 4.696 1.00 0.00 N ATOM 672 CA ASP A 46 -11.421 -1.051 4.476 1.00 0.00 C ATOM 673 C ASP A 46 -11.599 -0.789 2.979 1.00 0.00 C ATOM 674 O ASP A 46 -12.724 -0.734 2.484 1.00 0.00 O ATOM 675 CB ASP A 46 -11.444 0.298 5.198 1.00 0.00 C ATOM 676 CG ASP A 46 -12.103 0.281 6.578 1.00 0.00 C ATOM 677 OD1 ASP A 46 -11.784 -0.651 7.348 1.00 0.00 O ATOM 678 OD2 ASP A 46 -12.911 1.200 6.833 1.00 0.00 O ATOM 0 H ASP A 46 -9.468 -1.206 5.219 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.222 -1.681 4.863 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.419 0.653 5.306 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.967 1.020 4.571 1.00 0.00 H new ATOM 683 N VAL A 47 -10.472 -0.634 2.299 1.00 0.00 N ATOM 684 CA VAL A 47 -10.489 -0.379 0.869 1.00 0.00 C ATOM 685 C VAL A 47 -10.636 -1.705 0.121 1.00 0.00 C ATOM 686 O VAL A 47 -11.584 -1.891 -0.641 1.00 0.00 O ATOM 687 CB VAL A 47 -9.238 0.402 0.462 1.00 0.00 C ATOM 688 CG1 VAL A 47 -9.060 0.398 -1.058 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.283 1.832 1.005 1.00 0.00 C ATOM 0 H VAL A 47 -9.541 -0.680 2.713 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.344 0.242 0.602 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.374 -0.096 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.164 0.960 -1.321 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.961 -0.629 -1.410 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.929 0.860 -1.527 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.382 2.365 0.701 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.159 2.345 0.608 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.340 1.806 2.093 1.00 0.00 H new ATOM 699 N ILE A 48 -9.684 -2.594 0.364 1.00 0.00 N ATOM 700 CA ILE A 48 -9.695 -3.898 -0.278 1.00 0.00 C ATOM 701 C ILE A 48 -11.110 -4.478 -0.219 1.00 0.00 C ATOM 702 O ILE A 48 -11.570 -5.099 -1.176 1.00 0.00 O ATOM 703 CB ILE A 48 -8.631 -4.808 0.340 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.238 -4.457 -0.186 1.00 0.00 C ATOM 705 CG2 ILE A 48 -8.974 -6.282 0.116 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.157 -5.244 0.559 1.00 0.00 C ATOM 0 H ILE A 48 -8.900 -2.437 0.997 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.431 -3.807 -1.332 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.620 -4.640 1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.182 -4.675 -1.252 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.060 -3.388 -0.070 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.202 -6.907 0.565 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.936 -6.506 0.577 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.028 -6.484 -0.954 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.176 -4.976 0.166 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.200 -5.005 1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.324 -6.312 0.421 1.00 0.00 H new ATOM 718 N GLY A 49 -11.760 -4.254 0.913 1.00 0.00 N ATOM 719 CA GLY A 49 -13.113 -4.746 1.109 1.00 0.00 C ATOM 720 C GLY A 49 -14.018 -4.341 -0.057 1.00 0.00 C ATOM 721 O GLY A 49 -14.942 -5.071 -0.413 1.00 0.00 O ATOM 0 H GLY A 49 -11.375 -3.738 1.704 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.099 -5.832 1.203 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.516 -4.351 2.041 1.00 0.00 H new ATOM 725 N GLN A 50 -13.721 -3.179 -0.619 1.00 0.00 N ATOM 726 CA GLN A 50 -14.496 -2.667 -1.736 1.00 0.00 C ATOM 727 C GLN A 50 -14.054 -3.338 -3.039 1.00 0.00 C ATOM 728 O GLN A 50 -14.856 -3.510 -3.955 1.00 0.00 O ATOM 729 CB GLN A 50 -14.377 -1.145 -1.835 1.00 0.00 C ATOM 730 CG GLN A 50 -14.722 -0.481 -0.501 1.00 0.00 C ATOM 731 CD GLN A 50 -15.758 0.629 -0.692 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.892 0.395 -1.078 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.307 1.846 -0.403 1.00 0.00 N ATOM 0 H GLN A 50 -12.953 -2.577 -0.321 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.546 -2.905 -1.565 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.363 -0.874 -2.129 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.044 -0.774 -2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.108 -1.228 0.192 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.819 -0.067 -0.053 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.346 1.972 -0.085 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.922 2.654 -0.500 1.00 0.00 H new ATOM 742 N VAL A 51 -12.780 -3.697 -3.080 1.00 0.00 N ATOM 743 CA VAL A 51 -12.222 -4.345 -4.255 1.00 0.00 C ATOM 744 C VAL A 51 -12.658 -5.811 -4.279 1.00 0.00 C ATOM 745 O VAL A 51 -13.099 -6.314 -5.312 1.00 0.00 O ATOM 746 CB VAL A 51 -10.702 -4.173 -4.275 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.108 -4.695 -5.585 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.312 -2.712 -4.039 1.00 0.00 C ATOM 0 H VAL A 51 -12.117 -3.552 -2.318 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.601 -3.878 -5.164 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.287 -4.766 -3.460 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.026 -4.561 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.341 -5.754 -5.694 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.533 -4.142 -6.423 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.226 -2.618 -4.058 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.744 -2.089 -4.822 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.687 -2.387 -3.069 1.00 0.00 H new ATOM 758 N LEU A 52 -12.521 -6.455 -3.130 1.00 0.00 N ATOM 759 CA LEU A 52 -12.895 -7.854 -3.007 1.00 0.00 C ATOM 760 C LEU A 52 -13.972 -7.996 -1.929 1.00 0.00 C ATOM 761 O LEU A 52 -13.683 -8.413 -0.809 1.00 0.00 O ATOM 762 CB LEU A 52 -11.659 -8.720 -2.758 1.00 0.00 C ATOM 763 CG LEU A 52 -10.763 -8.975 -3.973 1.00 0.00 C ATOM 764 CD1 LEU A 52 -9.900 -7.751 -4.284 1.00 0.00 C ATOM 765 CD2 LEU A 52 -9.920 -10.237 -3.777 1.00 0.00 C ATOM 0 H LEU A 52 -12.156 -6.034 -2.275 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.326 -8.216 -3.940 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.058 -8.246 -1.981 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.987 -9.682 -2.365 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.402 -9.146 -4.839 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.273 -7.959 -5.151 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.543 -6.897 -4.497 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.268 -7.524 -3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.293 -10.395 -4.654 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.289 -10.120 -2.896 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.577 -11.096 -3.641 1.00 0.00 H new ATOM 777 N PRO A 53 -15.224 -7.632 -2.316 1.00 0.00 N ATOM 778 CA PRO A 53 -16.345 -7.714 -1.396 1.00 0.00 C ATOM 779 C PRO A 53 -16.790 -9.166 -1.202 1.00 0.00 C ATOM 780 O PRO A 53 -17.441 -9.492 -0.211 1.00 0.00 O ATOM 781 CB PRO A 53 -17.425 -6.840 -2.012 1.00 0.00 C ATOM 782 CG PRO A 53 -17.043 -6.674 -3.474 1.00 0.00 C ATOM 783 CD PRO A 53 -15.604 -7.134 -3.635 1.00 0.00 C ATOM 0 HA PRO A 53 -16.093 -7.366 -0.394 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.406 -7.305 -1.915 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.479 -5.874 -1.510 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.705 -7.261 -4.110 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.147 -5.633 -3.780 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.520 -7.914 -4.392 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -14.959 -6.314 -3.949 1.00 0.00 H new ATOM 791 N GLU A 54 -16.420 -9.998 -2.165 1.00 0.00 N ATOM 792 CA GLU A 54 -16.773 -11.406 -2.113 1.00 0.00 C ATOM 793 C GLU A 54 -15.609 -12.224 -1.550 1.00 0.00 C ATOM 794 O GLU A 54 -15.761 -13.410 -1.261 1.00 0.00 O ATOM 795 CB GLU A 54 -17.187 -11.919 -3.493 1.00 0.00 C ATOM 796 CG GLU A 54 -16.907 -13.417 -3.628 1.00 0.00 C ATOM 797 CD GLU A 54 -17.765 -14.225 -2.652 1.00 0.00 C ATOM 798 OE1 GLU A 54 -18.416 -13.581 -1.801 1.00 0.00 O ATOM 799 OE2 GLU A 54 -17.750 -15.469 -2.779 1.00 0.00 O ATOM 0 H GLU A 54 -15.879 -9.724 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 54 -17.629 -11.522 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -18.248 -11.728 -3.653 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -16.645 -11.373 -4.265 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -17.111 -13.738 -4.649 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -15.852 -13.612 -3.438 1.00 0.00 H new ATOM 806 N ALA A 55 -14.471 -11.559 -1.413 1.00 0.00 N ATOM 807 CA ALA A 55 -13.282 -12.209 -0.890 1.00 0.00 C ATOM 808 C ALA A 55 -12.622 -11.299 0.148 1.00 0.00 C ATOM 809 O ALA A 55 -11.627 -10.637 -0.145 1.00 0.00 O ATOM 810 CB ALA A 55 -12.340 -12.555 -2.045 1.00 0.00 C ATOM 0 H ALA A 55 -14.348 -10.576 -1.655 1.00 0.00 H new ATOM 0 HA ALA A 55 -13.543 -13.142 -0.391 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.448 -13.043 -1.653 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -12.846 -13.227 -2.738 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.055 -11.642 -2.568 1.00 0.00 H new ATOM 816 N THR A 56 -13.203 -11.295 1.338 1.00 0.00 N ATOM 817 CA THR A 56 -12.684 -10.476 2.421 1.00 0.00 C ATOM 818 C THR A 56 -11.167 -10.643 2.535 1.00 0.00 C ATOM 819 O THR A 56 -10.593 -11.557 1.946 1.00 0.00 O ATOM 820 CB THR A 56 -13.434 -10.853 3.700 1.00 0.00 C ATOM 821 OG1 THR A 56 -14.793 -10.538 3.411 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.082 -9.940 4.876 1.00 0.00 C ATOM 0 H THR A 56 -14.028 -11.845 1.577 1.00 0.00 H new ATOM 0 HA THR A 56 -12.850 -9.416 2.230 1.00 0.00 H new ATOM 0 HB THR A 56 -13.207 -11.886 3.962 1.00 0.00 H new ATOM 0 HG1 THR A 56 -15.351 -10.753 4.187 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.642 -10.251 5.758 1.00 0.00 H new ATOM 0 HG22 THR A 56 -12.014 -10.007 5.082 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.340 -8.911 4.627 1.00 0.00 H new ATOM 830 N THR A 57 -10.561 -9.745 3.298 1.00 0.00 N ATOM 831 CA THR A 57 -9.122 -9.781 3.497 1.00 0.00 C ATOM 832 C THR A 57 -8.741 -9.024 4.771 1.00 0.00 C ATOM 833 O THR A 57 -9.204 -7.907 4.996 1.00 0.00 O ATOM 834 CB THR A 57 -8.457 -9.223 2.238 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.291 -10.363 1.399 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.028 -8.740 2.495 1.00 0.00 C ATOM 0 H THR A 57 -11.040 -8.988 3.786 1.00 0.00 H new ATOM 0 HA THR A 57 -8.768 -10.801 3.644 1.00 0.00 H new ATOM 0 HB THR A 57 -9.054 -8.399 1.847 1.00 0.00 H new ATOM 0 HG1 THR A 57 -8.890 -11.079 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.602 -8.354 1.569 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.040 -7.950 3.246 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.422 -9.572 2.854 1.00 0.00 H new ATOM 844 N THR A 58 -7.901 -9.663 5.572 1.00 0.00 N ATOM 845 CA THR A 58 -7.452 -9.065 6.818 1.00 0.00 C ATOM 846 C THR A 58 -5.935 -8.872 6.800 1.00 0.00 C ATOM 847 O THR A 58 -5.346 -8.465 7.801 1.00 0.00 O ATOM 848 CB THR A 58 -7.940 -9.947 7.968 1.00 0.00 C ATOM 849 OG1 THR A 58 -7.472 -11.250 7.630 1.00 0.00 O ATOM 850 CG2 THR A 58 -9.463 -10.092 7.991 1.00 0.00 C ATOM 0 H THR A 58 -7.519 -10.590 5.382 1.00 0.00 H new ATOM 0 HA THR A 58 -7.873 -8.069 6.953 1.00 0.00 H new ATOM 0 HB THR A 58 -7.602 -9.527 8.915 1.00 0.00 H new ATOM 0 HG1 THR A 58 -7.743 -11.886 8.325 1.00 0.00 H new ATOM 0 HG21 THR A 58 -9.755 -10.728 8.827 1.00 0.00 H new ATOM 0 HG22 THR A 58 -9.920 -9.109 8.105 1.00 0.00 H new ATOM 0 HG23 THR A 58 -9.800 -10.542 7.057 1.00 0.00 H new ATOM 858 N ALA A 59 -5.345 -9.174 5.653 1.00 0.00 N ATOM 859 CA ALA A 59 -3.907 -9.039 5.492 1.00 0.00 C ATOM 860 C ALA A 59 -3.552 -9.144 4.008 1.00 0.00 C ATOM 861 O ALA A 59 -4.306 -9.720 3.225 1.00 0.00 O ATOM 862 CB ALA A 59 -3.197 -10.098 6.338 1.00 0.00 C ATOM 0 H ALA A 59 -5.837 -9.512 4.826 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.572 -8.063 5.843 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.118 -9.997 6.217 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.459 -9.961 7.387 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.507 -11.091 6.013 1.00 0.00 H new ATOM 868 N PHE A 60 -2.403 -8.579 3.666 1.00 0.00 N ATOM 869 CA PHE A 60 -1.939 -8.602 2.289 1.00 0.00 C ATOM 870 C PHE A 60 -0.415 -8.715 2.226 1.00 0.00 C ATOM 871 O PHE A 60 0.269 -8.499 3.225 1.00 0.00 O ATOM 872 CB PHE A 60 -2.367 -7.279 1.650 1.00 0.00 C ATOM 873 CG PHE A 60 -2.078 -6.049 2.514 1.00 0.00 C ATOM 874 CD1 PHE A 60 -2.951 -5.684 3.491 1.00 0.00 C ATOM 875 CD2 PHE A 60 -0.948 -5.322 2.304 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.683 -4.543 4.292 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.680 -4.180 3.105 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.553 -3.815 4.082 1.00 0.00 C ATOM 0 H PHE A 60 -1.780 -8.103 4.318 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.362 -9.461 1.768 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -1.856 -7.167 0.694 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.435 -7.319 1.438 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.848 -6.262 3.657 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.255 -5.613 1.529 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.376 -4.253 5.068 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.217 -3.602 2.938 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.349 -2.947 4.691 1.00 0.00 H new ATOM 888 N GLU A 61 0.073 -9.054 1.042 1.00 0.00 N ATOM 889 CA GLU A 61 1.504 -9.199 0.836 1.00 0.00 C ATOM 890 C GLU A 61 1.995 -8.193 -0.207 1.00 0.00 C ATOM 891 O GLU A 61 1.265 -7.849 -1.135 1.00 0.00 O ATOM 892 CB GLU A 61 1.857 -10.630 0.425 1.00 0.00 C ATOM 893 CG GLU A 61 1.429 -11.631 1.500 1.00 0.00 C ATOM 894 CD GLU A 61 2.287 -12.896 1.445 1.00 0.00 C ATOM 895 OE1 GLU A 61 3.449 -12.775 1.000 1.00 0.00 O ATOM 896 OE2 GLU A 61 1.761 -13.956 1.848 1.00 0.00 O ATOM 0 H GLU A 61 -0.497 -9.232 0.215 1.00 0.00 H new ATOM 0 HA GLU A 61 2.009 -8.991 1.779 1.00 0.00 H new ATOM 0 HB2 GLU A 61 1.367 -10.872 -0.518 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.931 -10.709 0.256 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.515 -11.171 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.380 -11.893 1.361 1.00 0.00 H new ATOM 903 N TYR A 62 3.229 -7.747 -0.019 1.00 0.00 N ATOM 904 CA TYR A 62 3.825 -6.787 -0.931 1.00 0.00 C ATOM 905 C TYR A 62 5.249 -7.201 -1.309 1.00 0.00 C ATOM 906 O TYR A 62 6.084 -7.433 -0.436 1.00 0.00 O ATOM 907 CB TYR A 62 3.877 -5.460 -0.172 1.00 0.00 C ATOM 908 CG TYR A 62 5.122 -5.290 0.700 1.00 0.00 C ATOM 909 CD1 TYR A 62 6.332 -4.968 0.121 1.00 0.00 C ATOM 910 CD2 TYR A 62 5.035 -5.459 2.067 1.00 0.00 C ATOM 911 CE1 TYR A 62 7.504 -4.808 0.942 1.00 0.00 C ATOM 912 CE2 TYR A 62 6.206 -5.299 2.889 1.00 0.00 C ATOM 913 CZ TYR A 62 7.383 -4.981 2.285 1.00 0.00 C ATOM 914 OH TYR A 62 8.490 -4.830 3.061 1.00 0.00 O ATOM 0 H TYR A 62 3.832 -8.033 0.752 1.00 0.00 H new ATOM 0 HA TYR A 62 3.244 -6.720 -1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.834 -4.641 -0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.991 -5.379 0.458 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.400 -4.836 -0.949 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.088 -5.711 2.520 1.00 0.00 H new ATOM 0 HE1 TYR A 62 8.457 -4.556 0.501 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.152 -5.428 3.960 1.00 0.00 H new ATOM 0 HH TYR A 62 8.254 -4.982 4.000 1.00 0.00 H new ATOM 924 N GLU A 63 5.483 -7.280 -2.611 1.00 0.00 N ATOM 925 CA GLU A 63 6.791 -7.661 -3.114 1.00 0.00 C ATOM 926 C GLU A 63 7.865 -6.717 -2.570 1.00 0.00 C ATOM 927 O GLU A 63 7.682 -5.501 -2.564 1.00 0.00 O ATOM 928 CB GLU A 63 6.804 -7.684 -4.644 1.00 0.00 C ATOM 929 CG GLU A 63 6.822 -9.120 -5.171 1.00 0.00 C ATOM 930 CD GLU A 63 7.829 -9.272 -6.313 1.00 0.00 C ATOM 931 OE1 GLU A 63 8.246 -8.222 -6.847 1.00 0.00 O ATOM 932 OE2 GLU A 63 8.159 -10.436 -6.627 1.00 0.00 O ATOM 0 H GLU A 63 4.788 -7.086 -3.332 1.00 0.00 H new ATOM 0 HA GLU A 63 7.013 -8.670 -2.766 1.00 0.00 H new ATOM 0 HB2 GLU A 63 5.926 -7.164 -5.026 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.678 -7.147 -5.012 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.078 -9.805 -4.362 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.827 -9.396 -5.520 1.00 0.00 H new ATOM 939 N ASP A 64 8.962 -7.313 -2.127 1.00 0.00 N ATOM 940 CA ASP A 64 10.066 -6.541 -1.582 1.00 0.00 C ATOM 941 C ASP A 64 11.231 -6.556 -2.573 1.00 0.00 C ATOM 942 O ASP A 64 11.047 -6.868 -3.749 1.00 0.00 O ATOM 943 CB ASP A 64 10.559 -7.139 -0.264 1.00 0.00 C ATOM 944 CG ASP A 64 11.308 -8.467 -0.396 1.00 0.00 C ATOM 945 OD1 ASP A 64 10.615 -9.506 -0.452 1.00 0.00 O ATOM 946 OD2 ASP A 64 12.556 -8.413 -0.438 1.00 0.00 O ATOM 0 H ASP A 64 9.110 -8.322 -2.134 1.00 0.00 H new ATOM 0 HA ASP A 64 9.712 -5.525 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 64 11.214 -6.417 0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 64 9.702 -7.286 0.394 1.00 0.00 H new ATOM 951 N GLU A 65 12.405 -6.213 -2.063 1.00 0.00 N ATOM 952 CA GLU A 65 13.600 -6.183 -2.889 1.00 0.00 C ATOM 953 C GLU A 65 13.779 -7.519 -3.612 1.00 0.00 C ATOM 954 O GLU A 65 13.922 -7.554 -4.833 1.00 0.00 O ATOM 955 CB GLU A 65 14.835 -5.842 -2.053 1.00 0.00 C ATOM 956 CG GLU A 65 15.610 -4.676 -2.670 1.00 0.00 C ATOM 957 CD GLU A 65 16.860 -4.352 -1.849 1.00 0.00 C ATOM 958 OE1 GLU A 65 16.736 -4.348 -0.605 1.00 0.00 O ATOM 959 OE2 GLU A 65 17.910 -4.116 -2.484 1.00 0.00 O ATOM 0 H GLU A 65 12.554 -5.953 -1.088 1.00 0.00 H new ATOM 0 HA GLU A 65 13.481 -5.400 -3.638 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.532 -5.585 -1.038 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.482 -6.716 -1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.896 -4.925 -3.692 1.00 0.00 H new ATOM 0 HG3 GLU A 65 14.968 -3.797 -2.724 1.00 0.00 H new ATOM 966 N ASP A 66 13.766 -8.587 -2.827 1.00 0.00 N ATOM 967 CA ASP A 66 13.925 -9.922 -3.378 1.00 0.00 C ATOM 968 C ASP A 66 12.549 -10.497 -3.716 1.00 0.00 C ATOM 969 O ASP A 66 12.375 -11.714 -3.764 1.00 0.00 O ATOM 970 CB ASP A 66 14.593 -10.858 -2.368 1.00 0.00 C ATOM 971 CG ASP A 66 16.077 -11.132 -2.624 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.835 -10.140 -2.681 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.419 -12.327 -2.755 1.00 0.00 O ATOM 0 H ASP A 66 13.648 -8.555 -1.814 1.00 0.00 H new ATOM 0 HA ASP A 66 14.549 -9.847 -4.269 1.00 0.00 H new ATOM 0 HB2 ASP A 66 14.485 -10.430 -1.371 1.00 0.00 H new ATOM 0 HB3 ASP A 66 14.058 -11.808 -2.367 1.00 0.00 H new ATOM 978 N GLY A 67 11.605 -9.595 -3.943 1.00 0.00 N ATOM 979 CA GLY A 67 10.249 -9.997 -4.275 1.00 0.00 C ATOM 980 C GLY A 67 9.841 -11.247 -3.493 1.00 0.00 C ATOM 981 O GLY A 67 9.165 -12.125 -4.028 1.00 0.00 O ATOM 0 H GLY A 67 11.753 -8.587 -3.903 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.560 -9.183 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.175 -10.193 -5.345 1.00 0.00 H new ATOM 985 N ASP A 68 10.268 -11.288 -2.240 1.00 0.00 N ATOM 986 CA ASP A 68 9.956 -12.416 -1.379 1.00 0.00 C ATOM 987 C ASP A 68 8.509 -12.297 -0.895 1.00 0.00 C ATOM 988 O ASP A 68 8.026 -13.152 -0.154 1.00 0.00 O ATOM 989 CB ASP A 68 10.865 -12.439 -0.149 1.00 0.00 C ATOM 990 CG ASP A 68 11.021 -13.809 0.514 1.00 0.00 C ATOM 991 OD1 ASP A 68 11.356 -14.761 -0.222 1.00 0.00 O ATOM 992 OD2 ASP A 68 10.802 -13.872 1.743 1.00 0.00 O ATOM 0 H ASP A 68 10.828 -10.558 -1.800 1.00 0.00 H new ATOM 0 HA ASP A 68 10.105 -13.330 -1.954 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.852 -12.078 -0.438 1.00 0.00 H new ATOM 0 HB3 ASP A 68 10.472 -11.738 0.588 1.00 0.00 H new ATOM 997 N ARG A 69 7.858 -11.230 -1.334 1.00 0.00 N ATOM 998 CA ARG A 69 6.476 -10.988 -0.955 1.00 0.00 C ATOM 999 C ARG A 69 6.329 -11.028 0.568 1.00 0.00 C ATOM 1000 O ARG A 69 6.235 -12.104 1.157 1.00 0.00 O ATOM 1001 CB ARG A 69 5.544 -12.028 -1.579 1.00 0.00 C ATOM 1002 CG ARG A 69 5.526 -11.904 -3.104 1.00 0.00 C ATOM 1003 CD ARG A 69 4.376 -11.009 -3.568 1.00 0.00 C ATOM 1004 NE ARG A 69 4.037 -11.310 -4.977 1.00 0.00 N ATOM 1005 CZ ARG A 69 3.326 -12.377 -5.367 1.00 0.00 C ATOM 1006 NH1 ARG A 69 2.874 -13.250 -4.457 1.00 0.00 N ATOM 1007 NH2 ARG A 69 3.067 -12.570 -6.668 1.00 0.00 N ATOM 0 H ARG A 69 8.262 -10.523 -1.949 1.00 0.00 H new ATOM 0 HA ARG A 69 6.198 -10.001 -1.324 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.869 -13.029 -1.296 1.00 0.00 H new ATOM 0 HB3 ARG A 69 4.535 -11.898 -1.188 1.00 0.00 H new ATOM 0 HG2 ARG A 69 6.474 -11.492 -3.450 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.425 -12.893 -3.552 1.00 0.00 H new ATOM 0 HD2 ARG A 69 3.503 -11.166 -2.934 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.657 -9.961 -3.469 1.00 0.00 H new ATOM 0 HE ARG A 69 4.365 -10.665 -5.696 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.071 -13.103 -3.467 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.333 -14.062 -4.754 1.00 0.00 H new ATOM 0 HH21 ARG A 69 3.411 -11.905 -7.361 1.00 0.00 H new ATOM 0 HH22 ARG A 69 2.526 -13.382 -6.965 1.00 0.00 H new ATOM 1021 N ILE A 70 6.312 -9.843 1.160 1.00 0.00 N ATOM 1022 CA ILE A 70 6.177 -9.730 2.603 1.00 0.00 C ATOM 1023 C ILE A 70 4.706 -9.894 2.987 1.00 0.00 C ATOM 1024 O ILE A 70 3.846 -10.041 2.120 1.00 0.00 O ATOM 1025 CB ILE A 70 6.800 -8.423 3.098 1.00 0.00 C ATOM 1026 CG1 ILE A 70 8.038 -8.059 2.275 1.00 0.00 C ATOM 1027 CG2 ILE A 70 7.108 -8.495 4.595 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.966 -9.266 2.118 1.00 0.00 C ATOM 0 H ILE A 70 6.389 -8.953 0.667 1.00 0.00 H new ATOM 0 HA ILE A 70 6.728 -10.528 3.101 1.00 0.00 H new ATOM 0 HB ILE A 70 6.073 -7.623 2.957 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.733 -7.700 1.292 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.575 -7.244 2.760 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.550 -7.554 4.921 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.186 -8.674 5.148 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.808 -9.309 4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.838 -8.981 1.529 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.288 -9.608 3.102 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.434 -10.071 1.611 1.00 0.00 H new ATOM 1040 N THR A 71 4.461 -9.863 4.289 1.00 0.00 N ATOM 1041 CA THR A 71 3.108 -10.007 4.800 1.00 0.00 C ATOM 1042 C THR A 71 2.774 -8.861 5.756 1.00 0.00 C ATOM 1043 O THR A 71 3.589 -8.498 6.604 1.00 0.00 O ATOM 1044 CB THR A 71 2.989 -11.390 5.443 1.00 0.00 C ATOM 1045 OG1 THR A 71 3.269 -12.294 4.378 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.553 -11.726 5.850 1.00 0.00 C ATOM 0 H THR A 71 5.177 -9.740 5.005 1.00 0.00 H new ATOM 0 HA THR A 71 2.374 -9.943 3.997 1.00 0.00 H new ATOM 0 HB THR A 71 3.635 -11.439 6.320 1.00 0.00 H new ATOM 0 HG1 THR A 71 3.215 -13.215 4.708 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.525 -12.718 6.301 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.197 -10.990 6.571 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.912 -11.710 4.969 1.00 0.00 H new ATOM 1054 N VAL A 72 1.575 -8.322 5.589 1.00 0.00 N ATOM 1055 CA VAL A 72 1.124 -7.225 6.427 1.00 0.00 C ATOM 1056 C VAL A 72 -0.123 -7.658 7.200 1.00 0.00 C ATOM 1057 O VAL A 72 -1.216 -7.720 6.638 1.00 0.00 O ATOM 1058 CB VAL A 72 0.895 -5.975 5.575 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.385 -4.814 6.431 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.168 -5.584 4.822 1.00 0.00 C ATOM 0 H VAL A 72 0.902 -8.625 4.885 1.00 0.00 H new ATOM 0 HA VAL A 72 1.888 -6.967 7.161 1.00 0.00 H new ATOM 0 HB VAL A 72 0.128 -6.209 4.837 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.230 -3.938 5.801 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.558 -5.095 6.900 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.119 -4.581 7.203 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.978 -4.693 4.224 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.965 -5.378 5.537 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.470 -6.402 4.168 1.00 0.00 H new ATOM 1070 N ARG A 73 0.081 -7.947 8.477 1.00 0.00 N ATOM 1071 CA ARG A 73 -1.013 -8.373 9.332 1.00 0.00 C ATOM 1072 C ARG A 73 -1.320 -7.297 10.377 1.00 0.00 C ATOM 1073 O ARG A 73 -2.369 -7.331 11.018 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.678 -9.684 10.045 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.862 -10.880 9.108 1.00 0.00 C ATOM 1076 CD ARG A 73 -1.251 -12.135 9.891 1.00 0.00 C ATOM 1077 NE ARG A 73 -2.716 -12.171 10.094 1.00 0.00 N ATOM 1078 CZ ARG A 73 -3.604 -12.428 9.123 1.00 0.00 C ATOM 1079 NH1 ARG A 73 -3.180 -12.672 7.876 1.00 0.00 N ATOM 1080 NH2 ARG A 73 -4.915 -12.440 9.400 1.00 0.00 N ATOM 0 H ARG A 73 0.988 -7.894 8.940 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.886 -8.530 8.699 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.351 -9.654 10.405 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.318 -9.801 10.919 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.632 -10.654 8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.062 -11.062 8.559 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -0.928 -13.025 9.351 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -0.742 -12.145 10.855 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.073 -11.989 11.032 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -2.182 -12.662 7.666 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.855 -12.868 7.137 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.237 -12.254 10.350 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.591 -12.636 8.661 1.00 0.00 H new ATOM 1094 N SER A 74 -0.386 -6.368 10.515 1.00 0.00 N ATOM 1095 CA SER A 74 -0.543 -5.285 11.470 1.00 0.00 C ATOM 1096 C SER A 74 0.042 -3.993 10.897 1.00 0.00 C ATOM 1097 O SER A 74 0.710 -4.014 9.865 1.00 0.00 O ATOM 1098 CB SER A 74 0.126 -5.625 12.804 1.00 0.00 C ATOM 1099 OG SER A 74 -0.547 -6.680 13.485 1.00 0.00 O ATOM 0 H SER A 74 0.483 -6.343 9.981 1.00 0.00 H new ATOM 0 HA SER A 74 -1.608 -5.144 11.654 1.00 0.00 H new ATOM 0 HB2 SER A 74 1.163 -5.911 12.627 1.00 0.00 H new ATOM 0 HB3 SER A 74 0.144 -4.738 13.437 1.00 0.00 H new ATOM 0 HG SER A 74 -0.089 -6.868 14.331 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.229 -2.898 11.593 1.00 0.00 N ATOM 1106 CA ASP A 75 0.262 -1.599 11.167 1.00 0.00 C ATOM 1107 C ASP A 75 1.784 -1.656 11.023 1.00 0.00 C ATOM 1108 O ASP A 75 2.349 -1.050 10.113 1.00 0.00 O ATOM 1109 CB ASP A 75 -0.075 -0.518 12.195 1.00 0.00 C ATOM 1110 CG ASP A 75 0.100 -0.938 13.656 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -0.680 -1.812 14.092 1.00 0.00 O ATOM 1112 OD2 ASP A 75 1.009 -0.375 14.303 1.00 0.00 O ATOM 0 H ASP A 75 -0.783 -2.884 12.450 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.214 -1.354 10.217 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.554 0.352 12.005 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -1.108 -0.204 12.044 1.00 0.00 H new ATOM 1117 N GLU A 76 2.405 -2.391 11.934 1.00 0.00 N ATOM 1118 CA GLU A 76 3.851 -2.535 11.920 1.00 0.00 C ATOM 1119 C GLU A 76 4.338 -2.865 10.508 1.00 0.00 C ATOM 1120 O GLU A 76 5.049 -2.072 9.891 1.00 0.00 O ATOM 1121 CB GLU A 76 4.306 -3.600 12.920 1.00 0.00 C ATOM 1122 CG GLU A 76 5.458 -3.085 13.784 1.00 0.00 C ATOM 1123 CD GLU A 76 4.960 -2.068 14.813 1.00 0.00 C ATOM 1124 OE1 GLU A 76 4.561 -0.968 14.376 1.00 0.00 O ATOM 1125 OE2 GLU A 76 4.990 -2.415 16.014 1.00 0.00 O ATOM 0 H GLU A 76 1.933 -2.893 12.686 1.00 0.00 H new ATOM 0 HA GLU A 76 4.294 -1.586 12.223 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.469 -3.887 13.557 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.621 -4.496 12.385 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.936 -3.921 14.295 1.00 0.00 H new ATOM 0 HG3 GLU A 76 6.215 -2.625 13.150 1.00 0.00 H new ATOM 1132 N GLU A 77 3.936 -4.036 10.036 1.00 0.00 N ATOM 1133 CA GLU A 77 4.322 -4.480 8.708 1.00 0.00 C ATOM 1134 C GLU A 77 4.026 -3.390 7.676 1.00 0.00 C ATOM 1135 O GLU A 77 4.847 -3.118 6.802 1.00 0.00 O ATOM 1136 CB GLU A 77 3.619 -5.788 8.341 1.00 0.00 C ATOM 1137 CG GLU A 77 4.346 -6.991 8.946 1.00 0.00 C ATOM 1138 CD GLU A 77 5.050 -6.607 10.249 1.00 0.00 C ATOM 1139 OE1 GLU A 77 4.325 -6.386 11.242 1.00 0.00 O ATOM 1140 OE2 GLU A 77 6.298 -6.543 10.222 1.00 0.00 O ATOM 0 H GLU A 77 3.347 -4.691 10.550 1.00 0.00 H new ATOM 0 HA GLU A 77 5.395 -4.670 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.589 -5.764 8.698 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.578 -5.891 7.257 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.633 -7.793 9.136 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.076 -7.375 8.234 1.00 0.00 H new ATOM 1147 N MET A 78 2.850 -2.795 7.812 1.00 0.00 N ATOM 1148 CA MET A 78 2.435 -1.740 6.903 1.00 0.00 C ATOM 1149 C MET A 78 3.534 -0.687 6.747 1.00 0.00 C ATOM 1150 O MET A 78 4.123 -0.553 5.675 1.00 0.00 O ATOM 1151 CB MET A 78 1.164 -1.077 7.436 1.00 0.00 C ATOM 1152 CG MET A 78 0.030 -1.161 6.412 1.00 0.00 C ATOM 1153 SD MET A 78 0.119 0.222 5.288 1.00 0.00 S ATOM 1154 CE MET A 78 -0.813 1.433 6.212 1.00 0.00 C ATOM 0 H MET A 78 2.171 -3.024 8.538 1.00 0.00 H new ATOM 0 HA MET A 78 2.241 -2.183 5.926 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.858 -1.562 8.363 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.367 -0.033 7.674 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.099 -2.096 5.857 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.933 -1.164 6.923 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.505 2.435 5.913 1.00 0.00 H new ATOM 0 HE2 MET A 78 -1.876 1.305 6.010 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.627 1.299 7.278 1.00 0.00 H new ATOM 1164 N LYS A 79 3.777 0.034 7.832 1.00 0.00 N ATOM 1165 CA LYS A 79 4.795 1.071 7.829 1.00 0.00 C ATOM 1166 C LYS A 79 6.047 0.549 7.121 1.00 0.00 C ATOM 1167 O LYS A 79 6.773 1.316 6.490 1.00 0.00 O ATOM 1168 CB LYS A 79 5.055 1.570 9.251 1.00 0.00 C ATOM 1169 CG LYS A 79 4.065 2.671 9.636 1.00 0.00 C ATOM 1170 CD LYS A 79 4.729 3.716 10.535 1.00 0.00 C ATOM 1171 CE LYS A 79 4.273 3.560 11.987 1.00 0.00 C ATOM 1172 NZ LYS A 79 5.314 4.059 12.913 1.00 0.00 N ATOM 0 H LYS A 79 3.286 -0.080 8.719 1.00 0.00 H new ATOM 0 HA LYS A 79 4.452 1.941 7.269 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.972 0.740 9.952 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.074 1.950 9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.682 3.151 8.736 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.211 2.233 10.152 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.813 3.614 10.478 1.00 0.00 H new ATOM 0 HD3 LYS A 79 4.483 4.716 10.178 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.345 4.109 12.144 1.00 0.00 H new ATOM 0 HE3 LYS A 79 4.063 2.511 12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 4.989 3.946 13.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.191 3.517 12.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.495 5.065 12.722 1.00 0.00 H new ATOM 1186 N ALA A 80 6.261 -0.752 7.250 1.00 0.00 N ATOM 1187 CA ALA A 80 7.413 -1.386 6.631 1.00 0.00 C ATOM 1188 C ALA A 80 7.232 -1.388 5.111 1.00 0.00 C ATOM 1189 O ALA A 80 8.086 -0.887 4.380 1.00 0.00 O ATOM 1190 CB ALA A 80 7.588 -2.795 7.200 1.00 0.00 C ATOM 0 H ALA A 80 5.656 -1.385 7.774 1.00 0.00 H new ATOM 0 HA ALA A 80 8.324 -0.830 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.452 -3.270 6.736 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.742 -2.736 8.277 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.695 -3.385 6.993 1.00 0.00 H new ATOM 1196 N MET A 81 6.116 -1.958 4.681 1.00 0.00 N ATOM 1197 CA MET A 81 5.813 -2.033 3.262 1.00 0.00 C ATOM 1198 C MET A 81 5.952 -0.661 2.599 1.00 0.00 C ATOM 1199 O MET A 81 6.475 -0.554 1.490 1.00 0.00 O ATOM 1200 CB MET A 81 4.386 -2.550 3.071 1.00 0.00 C ATOM 1201 CG MET A 81 3.934 -2.389 1.618 1.00 0.00 C ATOM 1202 SD MET A 81 2.244 -2.936 1.440 1.00 0.00 S ATOM 1203 CE MET A 81 1.386 -1.497 2.058 1.00 0.00 C ATOM 0 H MET A 81 5.411 -2.372 5.290 1.00 0.00 H new ATOM 0 HA MET A 81 6.522 -2.716 2.794 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.335 -3.601 3.357 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.708 -2.007 3.729 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.021 -1.346 1.315 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.583 -2.967 0.960 1.00 0.00 H new ATOM 0 HE1 MET A 81 0.566 -1.245 1.385 1.00 0.00 H new ATOM 0 HE2 MET A 81 0.989 -1.709 3.051 1.00 0.00 H new ATOM 0 HE3 MET A 81 2.079 -0.657 2.116 1.00 0.00 H new ATOM 1213 N LEU A 82 5.476 0.353 3.305 1.00 0.00 N ATOM 1214 CA LEU A 82 5.541 1.714 2.799 1.00 0.00 C ATOM 1215 C LEU A 82 6.974 2.234 2.929 1.00 0.00 C ATOM 1216 O LEU A 82 7.419 3.047 2.121 1.00 0.00 O ATOM 1217 CB LEU A 82 4.501 2.595 3.495 1.00 0.00 C ATOM 1218 CG LEU A 82 3.045 2.367 3.082 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.091 2.701 4.230 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.707 3.148 1.810 1.00 0.00 C ATOM 0 H LEU A 82 5.043 0.260 4.224 1.00 0.00 H new ATOM 0 HA LEU A 82 5.288 1.739 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.582 2.438 4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.753 3.639 3.306 1.00 0.00 H new ATOM 0 HG LEU A 82 2.916 1.309 2.854 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.063 2.530 3.910 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.315 2.065 5.086 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.214 3.746 4.513 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.667 2.968 1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.857 4.213 1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.356 2.819 0.998 1.00 0.00 H new ATOM 1232 N SER A 83 7.656 1.744 3.954 1.00 0.00 N ATOM 1233 CA SER A 83 9.030 2.150 4.200 1.00 0.00 C ATOM 1234 C SER A 83 9.927 1.686 3.051 1.00 0.00 C ATOM 1235 O SER A 83 10.909 2.348 2.719 1.00 0.00 O ATOM 1236 CB SER A 83 9.539 1.590 5.530 1.00 0.00 C ATOM 1237 OG SER A 83 9.235 2.451 6.624 1.00 0.00 O ATOM 0 H SER A 83 7.283 1.070 4.623 1.00 0.00 H new ATOM 0 HA SER A 83 9.060 3.238 4.259 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.094 0.611 5.705 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.618 1.444 5.473 1.00 0.00 H new ATOM 0 HG SER A 83 8.304 2.316 6.897 1.00 0.00 H new ATOM 1243 N TYR A 84 9.557 0.552 2.474 1.00 0.00 N ATOM 1244 CA TYR A 84 10.316 -0.008 1.369 1.00 0.00 C ATOM 1245 C TYR A 84 9.916 0.643 0.044 1.00 0.00 C ATOM 1246 O TYR A 84 10.773 1.092 -0.716 1.00 0.00 O ATOM 1247 CB TYR A 84 9.958 -1.495 1.322 1.00 0.00 C ATOM 1248 CG TYR A 84 10.134 -2.133 -0.057 1.00 0.00 C ATOM 1249 CD1 TYR A 84 11.367 -2.620 -0.441 1.00 0.00 C ATOM 1250 CD2 TYR A 84 9.059 -2.223 -0.918 1.00 0.00 C ATOM 1251 CE1 TYR A 84 11.532 -3.221 -1.739 1.00 0.00 C ATOM 1252 CE2 TYR A 84 9.224 -2.824 -2.216 1.00 0.00 C ATOM 1253 CZ TYR A 84 10.453 -3.293 -2.563 1.00 0.00 C ATOM 1254 OH TYR A 84 10.609 -3.861 -3.788 1.00 0.00 O ATOM 0 H TYR A 84 8.741 0.006 2.751 1.00 0.00 H new ATOM 0 HA TYR A 84 11.383 0.160 1.512 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.578 -2.031 2.041 1.00 0.00 H new ATOM 0 HB3 TYR A 84 8.923 -1.619 1.639 1.00 0.00 H new ATOM 0 HD1 TYR A 84 12.208 -2.550 0.232 1.00 0.00 H new ATOM 0 HD2 TYR A 84 8.094 -1.843 -0.618 1.00 0.00 H new ATOM 0 HE1 TYR A 84 12.492 -3.606 -2.051 1.00 0.00 H new ATOM 0 HE2 TYR A 84 8.391 -2.901 -2.899 1.00 0.00 H new ATOM 0 HH TYR A 84 9.754 -3.845 -4.267 1.00 0.00 H new ATOM 1264 N TYR A 85 8.613 0.675 -0.194 1.00 0.00 N ATOM 1265 CA TYR A 85 8.089 1.264 -1.414 1.00 0.00 C ATOM 1266 C TYR A 85 8.767 2.603 -1.712 1.00 0.00 C ATOM 1267 O TYR A 85 9.181 2.854 -2.842 1.00 0.00 O ATOM 1268 CB TYR A 85 6.599 1.506 -1.159 1.00 0.00 C ATOM 1269 CG TYR A 85 5.829 1.990 -2.389 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.596 1.128 -3.441 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.366 3.289 -2.446 1.00 0.00 C ATOM 1272 CE1 TYR A 85 4.870 1.583 -4.599 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.641 3.745 -3.604 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.428 2.869 -4.623 1.00 0.00 C ATOM 1275 OH TYR A 85 3.743 3.300 -5.716 1.00 0.00 O ATOM 0 H TYR A 85 7.904 0.302 0.438 1.00 0.00 H new ATOM 0 HA TYR A 85 8.267 0.606 -2.265 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.147 0.581 -0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.492 2.243 -0.363 1.00 0.00 H new ATOM 0 HD1 TYR A 85 5.958 0.112 -3.396 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.547 3.964 -1.622 1.00 0.00 H new ATOM 0 HE1 TYR A 85 4.681 0.918 -5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.275 4.759 -3.662 1.00 0.00 H new ATOM 0 HH TYR A 85 4.096 2.860 -6.518 1.00 0.00 H new ATOM 1285 N TYR A 86 8.859 3.426 -0.678 1.00 0.00 N ATOM 1286 CA TYR A 86 9.480 4.733 -0.815 1.00 0.00 C ATOM 1287 C TYR A 86 10.997 4.606 -0.962 1.00 0.00 C ATOM 1288 O TYR A 86 11.600 5.265 -1.808 1.00 0.00 O ATOM 1289 CB TYR A 86 9.166 5.487 0.479 1.00 0.00 C ATOM 1290 CG TYR A 86 7.675 5.541 0.821 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.733 5.461 -0.185 1.00 0.00 C ATOM 1292 CD2 TYR A 86 7.273 5.671 2.134 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.330 5.513 0.137 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.871 5.723 2.457 1.00 0.00 C ATOM 1295 CZ TYR A 86 4.969 5.641 1.442 1.00 0.00 C ATOM 1296 OH TYR A 86 3.644 5.690 1.746 1.00 0.00 O ATOM 0 H TYR A 86 8.514 3.213 0.258 1.00 0.00 H new ATOM 0 HA TYR A 86 9.103 5.246 -1.700 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.700 5.013 1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.546 6.505 0.396 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.048 5.359 -1.213 1.00 0.00 H new ATOM 0 HD2 TYR A 86 8.011 5.734 2.920 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.582 5.452 -0.640 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.543 5.825 3.481 1.00 0.00 H new ATOM 0 HH TYR A 86 3.521 5.510 2.701 1.00 0.00 H new ATOM 1306 N SER A 87 11.572 3.754 -0.125 1.00 0.00 N ATOM 1307 CA SER A 87 13.007 3.533 -0.151 1.00 0.00 C ATOM 1308 C SER A 87 13.433 3.021 -1.528 1.00 0.00 C ATOM 1309 O SER A 87 14.566 3.243 -1.954 1.00 0.00 O ATOM 1310 CB SER A 87 13.432 2.544 0.937 1.00 0.00 C ATOM 1311 OG SER A 87 14.832 2.601 1.193 1.00 0.00 O ATOM 0 H SER A 87 11.069 3.209 0.575 1.00 0.00 H new ATOM 0 HA SER A 87 13.503 4.484 0.046 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.886 2.759 1.856 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.160 1.533 0.634 1.00 0.00 H new ATOM 0 HG SER A 87 15.063 1.956 1.894 1.00 0.00 H new ATOM 1317 N THR A 88 12.502 2.347 -2.188 1.00 0.00 N ATOM 1318 CA THR A 88 12.767 1.802 -3.508 1.00 0.00 C ATOM 1319 C THR A 88 12.264 2.759 -4.591 1.00 0.00 C ATOM 1320 O THR A 88 12.947 2.987 -5.588 1.00 0.00 O ATOM 1321 CB THR A 88 12.131 0.413 -3.583 1.00 0.00 C ATOM 1322 OG1 THR A 88 12.997 -0.320 -4.445 1.00 0.00 O ATOM 1323 CG2 THR A 88 10.791 0.421 -4.321 1.00 0.00 C ATOM 0 H THR A 88 11.563 2.166 -1.833 1.00 0.00 H new ATOM 0 HA THR A 88 13.837 1.695 -3.684 1.00 0.00 H new ATOM 0 HB THR A 88 11.988 0.025 -2.574 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.659 -1.234 -4.548 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.383 -0.589 -4.345 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.095 1.081 -3.804 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.939 0.777 -5.340 1.00 0.00 H new ATOM 1331 N VAL A 89 11.075 3.294 -4.357 1.00 0.00 N ATOM 1332 CA VAL A 89 10.473 4.221 -5.299 1.00 0.00 C ATOM 1333 C VAL A 89 11.457 5.356 -5.590 1.00 0.00 C ATOM 1334 O VAL A 89 11.718 5.675 -6.750 1.00 0.00 O ATOM 1335 CB VAL A 89 9.130 4.718 -4.759 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.757 6.068 -5.375 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.028 3.684 -4.997 1.00 0.00 C ATOM 0 H VAL A 89 10.512 3.103 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 89 10.263 3.722 -6.245 1.00 0.00 H new ATOM 0 HB VAL A 89 9.232 4.858 -3.683 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.799 6.398 -4.974 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.524 6.803 -5.133 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.682 5.966 -6.458 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.084 4.061 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.928 3.499 -6.066 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.286 2.754 -4.490 1.00 0.00 H new ATOM 1347 N MET A 90 11.976 5.936 -4.518 1.00 0.00 N ATOM 1348 CA MET A 90 12.926 7.029 -4.644 1.00 0.00 C ATOM 1349 C MET A 90 14.155 6.597 -5.447 1.00 0.00 C ATOM 1350 O MET A 90 14.833 7.430 -6.047 1.00 0.00 O ATOM 1351 CB MET A 90 13.362 7.490 -3.252 1.00 0.00 C ATOM 1352 CG MET A 90 14.439 6.566 -2.681 1.00 0.00 C ATOM 1353 SD MET A 90 14.958 7.151 -1.076 1.00 0.00 S ATOM 1354 CE MET A 90 16.193 5.924 -0.683 1.00 0.00 C ATOM 0 H MET A 90 11.757 5.670 -3.558 1.00 0.00 H new ATOM 0 HA MET A 90 12.440 7.849 -5.172 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.744 8.510 -3.306 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.501 7.507 -2.584 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.052 5.550 -2.599 1.00 0.00 H new ATOM 0 HG3 MET A 90 15.293 6.528 -3.357 1.00 0.00 H new ATOM 0 HE1 MET A 90 15.957 5.464 0.277 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.205 5.158 -1.459 1.00 0.00 H new ATOM 0 HE3 MET A 90 17.173 6.399 -0.627 1.00 0.00 H new ATOM 1364 N GLU A 91 14.404 5.296 -5.433 1.00 0.00 N ATOM 1365 CA GLU A 91 15.540 4.744 -6.153 1.00 0.00 C ATOM 1366 C GLU A 91 15.204 4.592 -7.638 1.00 0.00 C ATOM 1367 O GLU A 91 16.078 4.728 -8.492 1.00 0.00 O ATOM 1368 CB GLU A 91 15.974 3.407 -5.549 1.00 0.00 C ATOM 1369 CG GLU A 91 16.857 3.623 -4.318 1.00 0.00 C ATOM 1370 CD GLU A 91 18.308 3.887 -4.723 1.00 0.00 C ATOM 1371 OE1 GLU A 91 18.769 3.203 -5.663 1.00 0.00 O ATOM 1372 OE2 GLU A 91 18.925 4.767 -4.085 1.00 0.00 O ATOM 0 H GLU A 91 13.839 4.608 -4.935 1.00 0.00 H new ATOM 0 HA GLU A 91 16.377 5.436 -6.059 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.094 2.826 -5.273 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.518 2.827 -6.294 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.479 4.465 -3.738 1.00 0.00 H new ATOM 0 HG3 GLU A 91 16.810 2.745 -3.674 1.00 0.00 H new ATOM 1379 N GLN A 92 13.936 4.311 -7.899 1.00 0.00 N ATOM 1380 CA GLN A 92 13.474 4.139 -9.266 1.00 0.00 C ATOM 1381 C GLN A 92 13.475 5.481 -10.000 1.00 0.00 C ATOM 1382 O GLN A 92 13.414 5.522 -11.227 1.00 0.00 O ATOM 1383 CB GLN A 92 12.085 3.497 -9.298 1.00 0.00 C ATOM 1384 CG GLN A 92 12.173 1.989 -9.061 1.00 0.00 C ATOM 1385 CD GLN A 92 11.275 1.227 -10.038 1.00 0.00 C ATOM 1386 OE1 GLN A 92 11.730 0.604 -10.983 1.00 0.00 O ATOM 1387 NE2 GLN A 92 9.977 1.311 -9.757 1.00 0.00 N ATOM 0 H GLN A 92 13.214 4.198 -7.187 1.00 0.00 H new ATOM 0 HA GLN A 92 14.161 3.467 -9.779 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.452 3.952 -8.536 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.613 3.690 -10.261 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.205 1.659 -9.177 1.00 0.00 H new ATOM 0 HG3 GLN A 92 11.878 1.760 -8.037 1.00 0.00 H new ATOM 0 HE21 GLN A 92 9.664 1.850 -8.950 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.295 0.836 -10.349 1.00 0.00 H new ATOM 1396 N GLN A 93 13.545 6.548 -9.216 1.00 0.00 N ATOM 1397 CA GLN A 93 13.555 7.889 -9.776 1.00 0.00 C ATOM 1398 C GLN A 93 14.986 8.313 -10.113 1.00 0.00 C ATOM 1399 O GLN A 93 15.241 8.847 -11.191 1.00 0.00 O ATOM 1400 CB GLN A 93 12.897 8.887 -8.821 1.00 0.00 C ATOM 1401 CG GLN A 93 11.449 8.491 -8.527 1.00 0.00 C ATOM 1402 CD GLN A 93 10.571 9.729 -8.334 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.685 10.719 -9.038 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.690 9.619 -7.343 1.00 0.00 N ATOM 0 H GLN A 93 13.595 6.511 -8.198 1.00 0.00 H new ATOM 0 HA GLN A 93 12.973 7.881 -10.698 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.462 8.931 -7.890 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.923 9.885 -9.258 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.059 7.888 -9.347 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.412 7.871 -7.631 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.647 8.762 -6.792 1.00 0.00 H new ATOM 0 HE22 GLN A 93 9.058 10.392 -7.135 1.00 0.00 H new ATOM 1413 N VAL A 94 15.881 8.059 -9.170 1.00 0.00 N ATOM 1414 CA VAL A 94 17.280 8.408 -9.353 1.00 0.00 C ATOM 1415 C VAL A 94 17.842 7.634 -10.546 1.00 0.00 C ATOM 1416 O VAL A 94 18.732 8.119 -11.242 1.00 0.00 O ATOM 1417 CB VAL A 94 18.055 8.158 -8.058 1.00 0.00 C ATOM 1418 CG1 VAL A 94 17.237 8.584 -6.838 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.481 6.692 -7.949 1.00 0.00 C ATOM 0 H VAL A 94 15.665 7.616 -8.277 1.00 0.00 H new ATOM 0 HA VAL A 94 17.383 9.470 -9.577 1.00 0.00 H new ATOM 0 HB VAL A 94 18.958 8.768 -8.084 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.811 8.395 -5.931 1.00 0.00 H new ATOM 0 HG12 VAL A 94 17.007 9.647 -6.907 1.00 0.00 H new ATOM 0 HG13 VAL A 94 16.309 8.013 -6.805 1.00 0.00 H new ATOM 0 HG21 VAL A 94 19.030 6.541 -7.020 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.597 6.055 -7.956 1.00 0.00 H new ATOM 0 HG23 VAL A 94 19.120 6.435 -8.794 1.00 0.00 H new ATOM 1429 N ASN A 95 17.299 6.442 -10.746 1.00 0.00 N ATOM 1430 CA ASN A 95 17.736 5.595 -11.843 1.00 0.00 C ATOM 1431 C ASN A 95 17.192 6.153 -13.160 1.00 0.00 C ATOM 1432 O ASN A 95 17.957 6.611 -14.008 1.00 0.00 O ATOM 1433 CB ASN A 95 17.210 4.168 -11.681 1.00 0.00 C ATOM 1434 CG ASN A 95 18.362 3.169 -11.558 1.00 0.00 C ATOM 1435 OD1 ASN A 95 18.597 2.343 -12.425 1.00 0.00 O ATOM 1436 ND2 ASN A 95 19.065 3.290 -10.436 1.00 0.00 N ATOM 0 H ASN A 95 16.560 6.043 -10.167 1.00 0.00 H new ATOM 0 HA ASN A 95 18.826 5.579 -11.843 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.577 4.109 -10.796 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.587 3.907 -12.537 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.855 2.669 -10.260 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.814 4.003 -9.752 1.00 0.00 H new ATOM 1443 N GLY A 96 15.875 6.096 -13.290 1.00 0.00 N ATOM 1444 CA GLY A 96 15.219 6.590 -14.489 1.00 0.00 C ATOM 1445 C GLY A 96 13.850 5.934 -14.676 1.00 0.00 C ATOM 1446 O GLY A 96 12.848 6.622 -14.864 1.00 0.00 O ATOM 0 H GLY A 96 15.244 5.715 -12.585 1.00 0.00 H new ATOM 0 HA2 GLY A 96 15.102 7.672 -14.424 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.844 6.389 -15.359 1.00 0.00 H new ATOM 1450 N GLN A 97 13.851 4.610 -14.617 1.00 0.00 N ATOM 1451 CA GLN A 97 12.621 3.853 -14.777 1.00 0.00 C ATOM 1452 C GLN A 97 11.471 4.548 -14.045 1.00 0.00 C ATOM 1453 O GLN A 97 11.690 5.241 -13.053 1.00 0.00 O ATOM 1454 CB GLN A 97 12.795 2.415 -14.284 1.00 0.00 C ATOM 1455 CG GLN A 97 13.440 2.384 -12.898 1.00 0.00 C ATOM 1456 CD GLN A 97 14.348 1.162 -12.742 1.00 0.00 C ATOM 1457 OE1 GLN A 97 13.947 0.115 -12.261 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.591 1.354 -13.175 1.00 0.00 N ATOM 0 H GLN A 97 14.684 4.042 -14.461 1.00 0.00 H new ATOM 0 HA GLN A 97 12.378 3.812 -15.839 1.00 0.00 H new ATOM 0 HB2 GLN A 97 11.825 1.919 -14.249 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.412 1.858 -14.989 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.019 3.294 -12.742 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.664 2.365 -12.132 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.861 2.256 -13.567 1.00 0.00 H new ATOM 0 HE22 GLN A 97 16.274 0.599 -13.115 1.00 0.00 H new ATOM 1467 N LEU A 98 10.270 4.338 -14.563 1.00 0.00 N ATOM 1468 CA LEU A 98 9.085 4.935 -13.971 1.00 0.00 C ATOM 1469 C LEU A 98 8.757 4.217 -12.660 1.00 0.00 C ATOM 1470 O LEU A 98 9.123 3.057 -12.476 1.00 0.00 O ATOM 1471 CB LEU A 98 7.930 4.941 -14.974 1.00 0.00 C ATOM 1472 CG LEU A 98 7.845 6.162 -15.892 1.00 0.00 C ATOM 1473 CD1 LEU A 98 6.783 5.962 -16.975 1.00 0.00 C ATOM 1474 CD2 LEU A 98 7.607 7.440 -15.085 1.00 0.00 C ATOM 0 H LEU A 98 10.092 3.763 -15.386 1.00 0.00 H new ATOM 0 HA LEU A 98 9.269 5.981 -13.725 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.010 4.049 -15.595 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.994 4.861 -14.421 1.00 0.00 H new ATOM 0 HG LEU A 98 8.804 6.275 -16.398 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.744 6.845 -17.613 1.00 0.00 H new ATOM 0 HD12 LEU A 98 7.037 5.090 -17.577 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.811 5.809 -16.507 1.00 0.00 H new ATOM 0 HD21 LEU A 98 7.551 8.293 -15.762 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.671 7.353 -14.533 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.429 7.586 -14.385 1.00 0.00 H new ATOM 1486 N ILE A 99 8.071 4.936 -11.784 1.00 0.00 N ATOM 1487 CA ILE A 99 7.690 4.382 -10.496 1.00 0.00 C ATOM 1488 C ILE A 99 6.578 3.351 -10.698 1.00 0.00 C ATOM 1489 O ILE A 99 5.720 3.519 -11.563 1.00 0.00 O ATOM 1490 CB ILE A 99 7.321 5.501 -9.520 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.451 6.526 -9.407 1.00 0.00 C ATOM 1492 CG2 ILE A 99 6.926 4.930 -8.156 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.732 5.873 -8.881 1.00 0.00 C ATOM 0 H ILE A 99 7.769 5.898 -11.941 1.00 0.00 H new ATOM 0 HA ILE A 99 8.532 3.859 -10.042 1.00 0.00 H new ATOM 0 HB ILE A 99 6.450 6.025 -9.915 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.640 6.973 -10.383 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.149 7.333 -8.740 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.668 5.746 -7.481 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.066 4.270 -8.273 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.762 4.366 -7.742 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.520 6.623 -8.810 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.545 5.448 -7.895 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.044 5.082 -9.563 1.00 0.00 H new ATOM 1505 N GLU A 100 6.630 2.305 -9.886 1.00 0.00 N ATOM 1506 CA GLU A 100 5.638 1.246 -9.965 1.00 0.00 C ATOM 1507 C GLU A 100 4.675 1.332 -8.779 1.00 0.00 C ATOM 1508 O GLU A 100 5.057 1.769 -7.695 1.00 0.00 O ATOM 1509 CB GLU A 100 6.307 -0.128 -10.030 1.00 0.00 C ATOM 1510 CG GLU A 100 7.176 -0.256 -11.283 1.00 0.00 C ATOM 1511 CD GLU A 100 6.328 -0.621 -12.503 1.00 0.00 C ATOM 1512 OE1 GLU A 100 5.727 -1.716 -12.469 1.00 0.00 O ATOM 1513 OE2 GLU A 100 6.301 0.204 -13.442 1.00 0.00 O ATOM 0 H GLU A 100 7.344 2.168 -9.170 1.00 0.00 H new ATOM 0 HA GLU A 100 5.066 1.378 -10.883 1.00 0.00 H new ATOM 0 HB2 GLU A 100 6.919 -0.281 -9.141 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.545 -0.908 -10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 100 7.697 0.684 -11.466 1.00 0.00 H new ATOM 0 HG3 GLU A 100 7.939 -1.018 -11.125 1.00 0.00 H new ATOM 1520 N PRO A 101 3.412 0.895 -9.031 1.00 0.00 N ATOM 1521 CA PRO A 101 2.392 0.918 -7.997 1.00 0.00 C ATOM 1522 C PRO A 101 2.614 -0.205 -6.982 1.00 0.00 C ATOM 1523 O PRO A 101 2.923 -1.335 -7.359 1.00 0.00 O ATOM 1524 CB PRO A 101 1.073 0.792 -8.743 1.00 0.00 C ATOM 1525 CG PRO A 101 1.421 0.239 -10.115 1.00 0.00 C ATOM 1526 CD PRO A 101 2.924 0.370 -10.303 1.00 0.00 C ATOM 0 HA PRO A 101 2.414 1.833 -7.405 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.388 0.127 -8.216 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.577 1.759 -8.826 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.116 -0.804 -10.195 1.00 0.00 H new ATOM 0 HG3 PRO A 101 0.890 0.787 -10.893 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.379 -0.593 -10.535 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.163 1.043 -11.127 1.00 0.00 H new ATOM 1534 N LEU A 102 2.449 0.144 -5.715 1.00 0.00 N ATOM 1535 CA LEU A 102 2.628 -0.821 -4.643 1.00 0.00 C ATOM 1536 C LEU A 102 1.832 -2.087 -4.964 1.00 0.00 C ATOM 1537 O LEU A 102 0.647 -2.177 -4.646 1.00 0.00 O ATOM 1538 CB LEU A 102 2.271 -0.195 -3.294 1.00 0.00 C ATOM 1539 CG LEU A 102 2.557 -1.053 -2.060 1.00 0.00 C ATOM 1540 CD1 LEU A 102 3.984 -1.603 -2.094 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.274 -0.275 -0.773 1.00 0.00 C ATOM 0 H LEU A 102 2.193 1.082 -5.406 1.00 0.00 H new ATOM 0 HA LEU A 102 3.675 -1.114 -4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 102 2.818 0.743 -3.195 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.210 0.054 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 102 1.881 -1.908 -2.075 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.162 -2.209 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.116 -2.217 -2.985 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.693 -0.775 -2.116 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.485 -0.908 0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 102 2.908 0.611 -0.737 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.227 0.027 -0.753 1.00 0.00 H new ATOM 1553 N GLN A 103 2.514 -3.034 -5.591 1.00 0.00 N ATOM 1554 CA GLN A 103 1.885 -4.291 -5.959 1.00 0.00 C ATOM 1555 C GLN A 103 1.640 -5.146 -4.714 1.00 0.00 C ATOM 1556 O GLN A 103 2.527 -5.874 -4.271 1.00 0.00 O ATOM 1557 CB GLN A 103 2.730 -5.048 -6.985 1.00 0.00 C ATOM 1558 CG GLN A 103 1.960 -6.239 -7.559 1.00 0.00 C ATOM 1559 CD GLN A 103 2.774 -6.947 -8.644 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.779 -6.450 -9.125 1.00 0.00 O ATOM 1561 NE2 GLN A 103 2.284 -8.131 -9.001 1.00 0.00 N ATOM 0 H GLN A 103 3.497 -2.956 -5.854 1.00 0.00 H new ATOM 0 HA GLN A 103 0.923 -4.071 -6.421 1.00 0.00 H new ATOM 0 HB2 GLN A 103 3.019 -4.374 -7.792 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.650 -5.397 -6.517 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.723 -6.942 -6.761 1.00 0.00 H new ATOM 0 HG3 GLN A 103 1.012 -5.897 -7.975 1.00 0.00 H new ATOM 0 HE21 GLN A 103 1.438 -8.488 -8.557 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.755 -8.682 -9.719 1.00 0.00 H new ATOM 1570 N ILE A 104 0.431 -5.029 -4.183 1.00 0.00 N ATOM 1571 CA ILE A 104 0.058 -5.782 -2.998 1.00 0.00 C ATOM 1572 C ILE A 104 -0.910 -6.899 -3.393 1.00 0.00 C ATOM 1573 O ILE A 104 -1.516 -6.851 -4.462 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.490 -4.846 -1.919 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.708 -4.074 -2.430 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.603 -3.911 -1.397 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.511 -3.484 -1.268 1.00 0.00 C ATOM 0 H ILE A 104 -0.302 -4.424 -4.552 1.00 0.00 H new ATOM 0 HA ILE A 104 0.934 -6.259 -2.558 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.823 -5.453 -1.077 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.383 -3.274 -3.095 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.344 -4.738 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.187 -3.256 -0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.413 -4.501 -0.969 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.989 -3.308 -2.219 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.371 -2.940 -1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.855 -4.288 -0.618 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -1.879 -2.802 -0.698 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.026 -7.879 -2.508 1.00 0.00 N ATOM 1590 CA PHE A 105 -1.910 -9.006 -2.750 1.00 0.00 C ATOM 1591 C PHE A 105 -2.813 -9.264 -1.543 1.00 0.00 C ATOM 1592 O PHE A 105 -2.327 -9.461 -0.430 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.021 -10.230 -2.979 1.00 0.00 C ATOM 1594 CG PHE A 105 0.021 -10.046 -4.083 1.00 0.00 C ATOM 1595 CD1 PHE A 105 -0.288 -10.363 -5.369 1.00 0.00 C ATOM 1596 CD2 PHE A 105 1.256 -9.564 -3.779 1.00 0.00 C ATOM 1597 CE1 PHE A 105 0.680 -10.192 -6.395 1.00 0.00 C ATOM 1598 CE2 PHE A 105 2.223 -9.393 -4.805 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.915 -9.710 -6.091 1.00 0.00 C ATOM 0 H PHE A 105 -0.522 -7.915 -1.622 1.00 0.00 H new ATOM 0 HA PHE A 105 -2.549 -8.800 -3.609 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -0.509 -10.474 -2.048 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -1.652 -11.083 -3.228 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -1.269 -10.745 -5.610 1.00 0.00 H new ATOM 0 HD2 PHE A 105 1.501 -9.311 -2.758 1.00 0.00 H new ATOM 0 HE1 PHE A 105 0.435 -10.445 -7.416 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.204 -9.011 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 105 2.651 -9.579 -6.871 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.147 -9.254 -1.810 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.122 -9.484 -0.758 1.00 0.00 C ATOM 1611 C PRO A 106 -5.175 -10.964 -0.374 1.00 0.00 C ATOM 1612 O PRO A 106 -5.664 -11.791 -1.142 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.437 -8.969 -1.321 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.246 -8.899 -2.828 1.00 0.00 C ATOM 1615 CD PRO A 106 -4.759 -9.023 -3.115 1.00 0.00 C ATOM 0 HA PRO A 106 -4.871 -8.967 0.168 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.260 -9.635 -1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -6.680 -7.988 -0.912 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -6.798 -9.700 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -6.633 -7.958 -3.219 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -4.555 -9.847 -3.799 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.369 -8.118 -3.581 1.00 0.00 H new ATOM 1623 N ARG A 107 -4.666 -11.253 0.814 1.00 0.00 N ATOM 1624 CA ARG A 107 -4.649 -12.619 1.310 1.00 0.00 C ATOM 1625 C ARG A 107 -6.060 -13.057 1.707 1.00 0.00 C ATOM 1626 O ARG A 107 -6.487 -12.834 2.839 1.00 0.00 O ATOM 1627 CB ARG A 107 -3.721 -12.755 2.518 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.328 -13.223 2.090 1.00 0.00 C ATOM 1629 CD ARG A 107 -1.667 -14.054 3.191 1.00 0.00 C ATOM 1630 NE ARG A 107 -1.282 -15.381 2.662 1.00 0.00 N ATOM 1631 CZ ARG A 107 -0.854 -16.398 3.422 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -0.753 -16.246 4.749 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -0.526 -17.567 2.855 1.00 0.00 N ATOM 0 H ARG A 107 -4.262 -10.564 1.448 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.279 -13.258 0.508 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.645 -11.797 3.032 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.145 -13.465 3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -2.404 -13.815 1.178 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -1.705 -12.359 1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.787 -13.535 3.570 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.353 -14.173 4.030 1.00 0.00 H new ATOM 0 HE ARG A 107 -1.346 -15.531 1.655 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -1.002 -15.356 5.181 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -0.427 -17.020 5.328 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -0.602 -17.683 1.844 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.200 -18.341 3.434 1.00 0.00 H new ATOM 1647 N SER A 108 -6.745 -13.671 0.754 1.00 0.00 N ATOM 1648 CA SER A 108 -8.099 -14.142 0.990 1.00 0.00 C ATOM 1649 C SER A 108 -8.078 -15.624 1.372 1.00 0.00 C ATOM 1650 O SER A 108 -8.202 -15.967 2.547 1.00 0.00 O ATOM 1651 CB SER A 108 -8.981 -13.924 -0.241 1.00 0.00 C ATOM 1652 OG SER A 108 -8.226 -13.488 -1.368 1.00 0.00 O ATOM 0 H SER A 108 -6.388 -13.853 -0.184 1.00 0.00 H new ATOM 0 HA SER A 108 -8.523 -13.567 1.813 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.496 -14.853 -0.487 1.00 0.00 H new ATOM 0 HB3 SER A 108 -9.748 -13.185 -0.011 1.00 0.00 H new ATOM 0 HG SER A 108 -8.825 -13.362 -2.134 1.00 0.00 H new ATOM 1658 N GLY A 109 -7.921 -16.461 0.358 1.00 0.00 N ATOM 1659 CA GLY A 109 -7.883 -17.898 0.573 1.00 0.00 C ATOM 1660 C GLY A 109 -9.158 -18.383 1.266 1.00 0.00 C ATOM 1661 O GLY A 109 -10.212 -17.763 1.138 1.00 0.00 O ATOM 0 H GLY A 109 -7.819 -16.172 -0.615 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -7.767 -18.409 -0.383 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -7.015 -18.156 1.179 1.00 0.00 H new ATOM 1665 N PRO A 110 -9.015 -19.516 2.004 1.00 0.00 N ATOM 1666 CA PRO A 110 -10.142 -20.091 2.718 1.00 0.00 C ATOM 1667 C PRO A 110 -10.473 -19.276 3.970 1.00 0.00 C ATOM 1668 O PRO A 110 -11.632 -18.944 4.210 1.00 0.00 O ATOM 1669 CB PRO A 110 -9.722 -21.518 3.032 1.00 0.00 C ATOM 1670 CG PRO A 110 -8.209 -21.546 2.896 1.00 0.00 C ATOM 1671 CD PRO A 110 -7.781 -20.277 2.179 1.00 0.00 C ATOM 0 HA PRO A 110 -11.061 -20.080 2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.029 -21.803 4.038 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -10.189 -22.223 2.344 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -7.739 -21.607 3.877 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.892 -22.426 2.336 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -7.051 -19.718 2.765 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.315 -20.502 1.220 1.00 0.00 H new ATOM 1679 N SER A 111 -9.432 -18.977 4.734 1.00 0.00 N ATOM 1680 CA SER A 111 -9.598 -18.207 5.955 1.00 0.00 C ATOM 1681 C SER A 111 -10.514 -17.009 5.698 1.00 0.00 C ATOM 1682 O SER A 111 -10.556 -16.482 4.587 1.00 0.00 O ATOM 1683 CB SER A 111 -8.246 -17.735 6.495 1.00 0.00 C ATOM 1684 OG SER A 111 -8.121 -17.966 7.896 1.00 0.00 O ATOM 0 H SER A 111 -8.471 -19.254 4.531 1.00 0.00 H new ATOM 0 HA SER A 111 -10.055 -18.851 6.706 1.00 0.00 H new ATOM 0 HB2 SER A 111 -7.444 -18.254 5.969 1.00 0.00 H new ATOM 0 HB3 SER A 111 -8.125 -16.671 6.291 1.00 0.00 H new ATOM 0 HG SER A 111 -7.244 -17.653 8.202 1.00 0.00 H new ATOM 1690 N SER A 112 -11.226 -16.614 6.743 1.00 0.00 N ATOM 1691 CA SER A 112 -12.139 -15.489 6.645 1.00 0.00 C ATOM 1692 C SER A 112 -12.640 -15.098 8.037 1.00 0.00 C ATOM 1693 O SER A 112 -12.529 -13.940 8.438 1.00 0.00 O ATOM 1694 CB SER A 112 -13.320 -15.816 5.729 1.00 0.00 C ATOM 1695 OG SER A 112 -13.936 -17.054 6.073 1.00 0.00 O ATOM 0 H SER A 112 -11.189 -17.054 7.663 1.00 0.00 H new ATOM 0 HA SER A 112 -11.599 -14.648 6.211 1.00 0.00 H new ATOM 0 HB2 SER A 112 -14.057 -15.015 5.788 1.00 0.00 H new ATOM 0 HB3 SER A 112 -12.977 -15.857 4.695 1.00 0.00 H new ATOM 0 HG SER A 112 -14.686 -17.226 5.466 1.00 0.00 H new ATOM 1701 N GLY A 113 -13.181 -16.085 8.735 1.00 0.00 N ATOM 1702 CA GLY A 113 -13.699 -15.859 10.074 1.00 0.00 C ATOM 1703 C GLY A 113 -14.014 -17.184 10.771 1.00 0.00 C ATOM 1704 O GLY A 113 -14.824 -17.970 10.282 1.00 0.00 O ATOM 0 H GLY A 113 -13.272 -17.044 8.399 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -12.970 -15.300 10.660 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -14.601 -15.249 10.021 1.00 0.00 H new TER 1708 GLY A 113