USER MOD reduce.3.24.130724 H: found=0, std=0, add=700, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 701 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 14 ASN : amide:sc= 1.18 K(o=1.2,f=-0.0079) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0.143 USER MOD Single : A 21 LYS NZ :NH3+ -119:sc= 1.07 (180deg=-0.285) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -157:sc= 0.777 (180deg=0.534) USER MOD Single : A 26 LYS NZ :NH3+ 159:sc= 1.13 (180deg=0.842) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 28:sc= 0.424 USER MOD Single : A 47 MET CE :methyl 171:sc= -0.781 (180deg=-1.04) USER MOD Single : A 53 THR OG1 : rot 88:sc= 1.22 USER MOD Single : A 55 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00509) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot -146:sc= 0.938 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 86:sc= 1.02 USER MOD Single : A 71 ASN :FLIP amide:sc= -0.0743 F(o=-1.2!,f=-0.074) USER MOD Single : A 76 MET CE :methyl -164:sc= -0.789 (180deg=-1.21) USER MOD Single : A 79 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.9) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 THR OG1 : rot 75:sc= 1.05 USER MOD ----------------------------------------------------------------- ATOM 27 N ARG A 3 -10.112 11.429 -0.375 1.00 1.00 N ATOM 28 CA ARG A 3 -10.456 10.036 -0.670 1.00 1.00 C ATOM 29 C ARG A 3 -9.270 9.142 -0.977 1.00 1.00 C ATOM 30 O ARG A 3 -9.383 7.949 -0.740 1.00 1.00 O ATOM 31 CB ARG A 3 -11.531 9.951 -1.763 1.00 1.00 C ATOM 32 CG ARG A 3 -12.891 10.416 -1.218 1.00 1.00 C ATOM 33 CD ARG A 3 -14.008 10.458 -2.265 1.00 1.00 C ATOM 34 NE ARG A 3 -14.516 9.130 -2.640 1.00 1.00 N ATOM 35 CZ ARG A 3 -15.428 8.901 -3.592 1.00 1.00 C ATOM 36 NH1 ARG A 3 -15.981 9.903 -4.270 1.00 1.00 N ATOM 37 NH2 ARG A 3 -15.771 7.660 -3.890 1.00 1.00 N ATOM 0 HA ARG A 3 -10.868 9.638 0.257 1.00 1.00 H new ATOM 0 HB2 ARG A 3 -11.243 10.569 -2.613 1.00 1.00 H new ATOM 0 HB3 ARG A 3 -11.609 8.926 -2.126 1.00 1.00 H new ATOM 0 HG2 ARG A 3 -13.192 9.750 -0.409 1.00 1.00 H new ATOM 0 HG3 ARG A 3 -12.776 11.410 -0.786 1.00 1.00 H new ATOM 0 HD2 ARG A 3 -14.833 11.057 -1.880 1.00 1.00 H new ATOM 0 HD3 ARG A 3 -13.638 10.961 -3.158 1.00 1.00 H new ATOM 0 HE ARG A 3 -14.146 8.324 -2.137 1.00 1.00 H new ATOM 0 HH11 ARG A 3 -15.711 10.866 -4.068 1.00 1.00 H new ATOM 0 HH12 ARG A 3 -16.675 9.709 -4.992 1.00 1.00 H new ATOM 0 HH21 ARG A 3 -15.341 6.879 -3.395 1.00 1.00 H new ATOM 0 HH22 ARG A 3 -16.466 7.483 -4.615 1.00 1.00 H new ATOM 51 N ALA A 4 -8.152 9.674 -1.471 1.00 1.00 N ATOM 52 CA ALA A 4 -6.955 8.861 -1.664 1.00 1.00 C ATOM 53 C ALA A 4 -6.509 8.297 -0.319 1.00 1.00 C ATOM 54 O ALA A 4 -6.324 7.093 -0.156 1.00 1.00 O ATOM 55 CB ALA A 4 -5.834 9.709 -2.274 1.00 1.00 C ATOM 0 H ALA A 4 -8.052 10.652 -1.741 1.00 1.00 H new ATOM 0 HA ALA A 4 -7.181 8.041 -2.346 1.00 1.00 H new ATOM 0 HB1 ALA A 4 -4.946 9.092 -2.414 1.00 1.00 H new ATOM 0 HB2 ALA A 4 -6.158 10.102 -3.238 1.00 1.00 H new ATOM 0 HB3 ALA A 4 -5.599 10.537 -1.605 1.00 1.00 H new ATOM 61 N ARG A 5 -6.341 9.194 0.651 1.00 1.00 N ATOM 62 CA ARG A 5 -5.915 8.847 1.989 1.00 1.00 C ATOM 63 C ARG A 5 -6.976 7.970 2.632 1.00 1.00 C ATOM 64 O ARG A 5 -6.623 6.920 3.152 1.00 1.00 O ATOM 65 CB ARG A 5 -5.665 10.109 2.819 1.00 1.00 C ATOM 66 CG ARG A 5 -4.656 11.089 2.199 1.00 1.00 C ATOM 67 CD ARG A 5 -3.677 11.521 3.308 1.00 1.00 C ATOM 68 NE ARG A 5 -2.969 12.778 3.025 1.00 1.00 N ATOM 69 CZ ARG A 5 -2.309 13.482 3.956 1.00 1.00 C ATOM 70 NH1 ARG A 5 -2.101 12.992 5.168 1.00 1.00 N ATOM 71 NH2 ARG A 5 -1.848 14.693 3.673 1.00 1.00 N ATOM 0 H ARG A 5 -6.501 10.193 0.519 1.00 1.00 H new ATOM 0 HA ARG A 5 -4.976 8.296 1.943 1.00 1.00 H new ATOM 0 HB2 ARG A 5 -6.613 10.627 2.965 1.00 1.00 H new ATOM 0 HB3 ARG A 5 -5.308 9.815 3.806 1.00 1.00 H new ATOM 0 HG2 ARG A 5 -4.118 10.615 1.378 1.00 1.00 H new ATOM 0 HG3 ARG A 5 -5.171 11.956 1.785 1.00 1.00 H new ATOM 0 HD2 ARG A 5 -4.228 11.629 4.243 1.00 1.00 H new ATOM 0 HD3 ARG A 5 -2.943 10.729 3.460 1.00 1.00 H new ATOM 0 HE ARG A 5 -2.980 13.134 2.069 1.00 1.00 H new ATOM 0 HH11 ARG A 5 -2.445 12.062 5.408 1.00 1.00 H new ATOM 0 HH12 ARG A 5 -1.596 13.544 5.862 1.00 1.00 H new ATOM 0 HH21 ARG A 5 -1.995 15.091 2.745 1.00 1.00 H new ATOM 0 HH22 ARG A 5 -1.346 15.226 4.383 1.00 1.00 H new ATOM 85 N ASP A 6 -8.254 8.364 2.558 1.00 1.00 N ATOM 86 CA ASP A 6 -9.317 7.610 3.212 1.00 1.00 C ATOM 87 C ASP A 6 -9.347 6.182 2.671 1.00 1.00 C ATOM 88 O ASP A 6 -9.475 5.233 3.436 1.00 1.00 O ATOM 89 CB ASP A 6 -10.696 8.239 2.981 1.00 1.00 C ATOM 90 CG ASP A 6 -11.016 9.516 3.757 1.00 1.00 C ATOM 91 OD1 ASP A 6 -10.317 10.545 3.584 1.00 1.00 O ATOM 92 OD2 ASP A 6 -12.108 9.586 4.369 1.00 1.00 O ATOM 0 H ASP A 6 -8.569 9.194 2.055 1.00 1.00 H new ATOM 0 HA ASP A 6 -9.104 7.619 4.281 1.00 1.00 H new ATOM 0 HB2 ASP A 6 -10.796 8.455 1.917 1.00 1.00 H new ATOM 0 HB3 ASP A 6 -11.453 7.495 3.227 1.00 1.00 H new ATOM 97 N ALA A 7 -9.226 6.011 1.352 1.00 1.00 N ATOM 98 CA ALA A 7 -9.310 4.702 0.734 1.00 1.00 C ATOM 99 C ALA A 7 -8.104 3.838 1.090 1.00 1.00 C ATOM 100 O ALA A 7 -8.307 2.648 1.337 1.00 1.00 O ATOM 101 CB ALA A 7 -9.475 4.845 -0.783 1.00 1.00 C ATOM 0 H ALA A 7 -9.068 6.774 0.694 1.00 1.00 H new ATOM 0 HA ALA A 7 -10.190 4.192 1.126 1.00 1.00 H new ATOM 0 HB1 ALA A 7 -9.537 3.856 -1.237 1.00 1.00 H new ATOM 0 HB2 ALA A 7 -10.387 5.401 -0.999 1.00 1.00 H new ATOM 0 HB3 ALA A 7 -8.618 5.380 -1.193 1.00 1.00 H new ATOM 107 N ILE A 8 -6.880 4.385 1.113 1.00 1.00 N ATOM 108 CA ILE A 8 -5.704 3.624 1.552 1.00 1.00 C ATOM 109 C ILE A 8 -5.967 3.193 3.002 1.00 1.00 C ATOM 110 O ILE A 8 -5.912 1.998 3.282 1.00 1.00 O ATOM 111 CB ILE A 8 -4.387 4.428 1.374 1.00 1.00 C ATOM 112 CG1 ILE A 8 -4.124 4.753 -0.118 1.00 1.00 C ATOM 113 CG2 ILE A 8 -3.160 3.696 1.941 1.00 1.00 C ATOM 114 CD1 ILE A 8 -3.224 5.981 -0.303 1.00 1.00 C ATOM 0 H ILE A 8 -6.680 5.346 0.834 1.00 1.00 H new ATOM 0 HA ILE A 8 -5.558 2.740 0.931 1.00 1.00 H new ATOM 0 HB ILE A 8 -4.528 5.350 1.938 1.00 1.00 H new ATOM 0 HG12 ILE A 8 -3.660 3.891 -0.598 1.00 1.00 H new ATOM 0 HG13 ILE A 8 -5.075 4.925 -0.622 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -2.270 4.306 1.788 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -3.301 3.521 3.008 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -3.038 2.741 1.430 1.00 1.00 H new ATOM 0 HD11 ILE A 8 -3.072 6.164 -1.367 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -3.698 6.851 0.151 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -2.261 5.802 0.175 1.00 1.00 H new ATOM 126 N LEU A 9 -6.312 4.131 3.892 1.00 1.00 N ATOM 127 CA LEU A 9 -6.568 3.886 5.310 1.00 1.00 C ATOM 128 C LEU A 9 -7.559 2.742 5.474 1.00 1.00 C ATOM 129 O LEU A 9 -7.254 1.743 6.128 1.00 1.00 O ATOM 130 CB LEU A 9 -7.067 5.189 5.972 1.00 1.00 C ATOM 131 CG LEU A 9 -7.156 5.220 7.510 1.00 1.00 C ATOM 132 CD1 LEU A 9 -8.238 4.314 8.099 1.00 1.00 C ATOM 133 CD2 LEU A 9 -5.808 4.906 8.160 1.00 1.00 C ATOM 0 H LEU A 9 -6.423 5.111 3.634 1.00 1.00 H new ATOM 0 HA LEU A 9 -5.647 3.586 5.810 1.00 1.00 H new ATOM 0 HB2 LEU A 9 -6.409 5.999 5.657 1.00 1.00 H new ATOM 0 HB3 LEU A 9 -8.057 5.410 5.574 1.00 1.00 H new ATOM 0 HG LEU A 9 -7.446 6.244 7.745 1.00 1.00 H new ATOM 0 HD11 LEU A 9 -8.231 4.397 9.186 1.00 1.00 H new ATOM 0 HD12 LEU A 9 -9.213 4.617 7.718 1.00 1.00 H new ATOM 0 HD13 LEU A 9 -8.042 3.280 7.813 1.00 1.00 H new ATOM 0 HD21 LEU A 9 -5.911 4.937 9.245 1.00 1.00 H new ATOM 0 HD22 LEU A 9 -5.480 3.912 7.855 1.00 1.00 H new ATOM 0 HD23 LEU A 9 -5.071 5.644 7.844 1.00 1.00 H new ATOM 145 N ASP A 10 -8.724 2.874 4.838 1.00 1.00 N ATOM 146 CA ASP A 10 -9.806 1.908 4.920 1.00 1.00 C ATOM 147 C ASP A 10 -9.307 0.542 4.455 1.00 1.00 C ATOM 148 O ASP A 10 -9.612 -0.479 5.069 1.00 1.00 O ATOM 149 CB ASP A 10 -10.970 2.316 4.008 1.00 1.00 C ATOM 150 CG ASP A 10 -11.797 3.534 4.417 1.00 1.00 C ATOM 151 OD1 ASP A 10 -11.616 4.131 5.503 1.00 1.00 O ATOM 152 OD2 ASP A 10 -12.702 3.878 3.623 1.00 1.00 O ATOM 0 H ASP A 10 -8.940 3.673 4.242 1.00 1.00 H new ATOM 0 HA ASP A 10 -10.145 1.869 5.955 1.00 1.00 H new ATOM 0 HB2 ASP A 10 -10.567 2.503 3.013 1.00 1.00 H new ATOM 0 HB3 ASP A 10 -11.645 1.464 3.924 1.00 1.00 H new ATOM 157 N ALA A 11 -8.551 0.504 3.355 1.00 1.00 N ATOM 158 CA ALA A 11 -8.054 -0.727 2.770 1.00 1.00 C ATOM 159 C ALA A 11 -7.081 -1.427 3.722 1.00 1.00 C ATOM 160 O ALA A 11 -7.170 -2.644 3.878 1.00 1.00 O ATOM 161 CB ALA A 11 -7.420 -0.424 1.411 1.00 1.00 C ATOM 0 H ALA A 11 -8.268 1.341 2.846 1.00 1.00 H new ATOM 0 HA ALA A 11 -8.882 -1.417 2.610 1.00 1.00 H new ATOM 0 HB1 ALA A 11 -7.046 -1.348 0.970 1.00 1.00 H new ATOM 0 HB2 ALA A 11 -8.167 0.017 0.751 1.00 1.00 H new ATOM 0 HB3 ALA A 11 -6.594 0.275 1.542 1.00 1.00 H new ATOM 167 N LEU A 12 -6.168 -0.689 4.364 1.00 1.00 N ATOM 168 CA LEU A 12 -5.244 -1.217 5.369 1.00 1.00 C ATOM 169 C LEU A 12 -5.988 -1.779 6.581 1.00 1.00 C ATOM 170 O LEU A 12 -5.687 -2.879 7.041 1.00 1.00 O ATOM 171 CB LEU A 12 -4.204 -0.186 5.822 1.00 1.00 C ATOM 172 CG LEU A 12 -2.966 0.036 4.966 1.00 1.00 C ATOM 173 CD1 LEU A 12 -2.069 -1.207 4.964 1.00 1.00 C ATOM 174 CD2 LEU A 12 -3.282 0.479 3.561 1.00 1.00 C ATOM 0 H LEU A 12 -6.050 0.310 4.195 1.00 1.00 H new ATOM 0 HA LEU A 12 -4.708 -2.030 4.879 1.00 1.00 H new ATOM 0 HB2 LEU A 12 -4.712 0.773 5.921 1.00 1.00 H new ATOM 0 HB3 LEU A 12 -3.868 -0.473 6.819 1.00 1.00 H new ATOM 0 HG LEU A 12 -2.421 0.860 5.427 1.00 1.00 H new ATOM 0 HD11 LEU A 12 -1.191 -1.021 4.345 1.00 1.00 H new ATOM 0 HD12 LEU A 12 -1.753 -1.430 5.983 1.00 1.00 H new ATOM 0 HD13 LEU A 12 -2.624 -2.055 4.563 1.00 1.00 H new ATOM 0 HD21 LEU A 12 -2.354 0.619 3.006 1.00 1.00 H new ATOM 0 HD22 LEU A 12 -3.889 -0.280 3.068 1.00 1.00 H new ATOM 0 HD23 LEU A 12 -3.832 1.420 3.591 1.00 1.00 H new ATOM 186 N GLU A 13 -6.959 -1.035 7.100 1.00 1.00 N ATOM 187 CA GLU A 13 -7.838 -1.450 8.190 1.00 1.00 C ATOM 188 C GLU A 13 -8.561 -2.755 7.838 1.00 1.00 C ATOM 189 O GLU A 13 -8.723 -3.634 8.689 1.00 1.00 O ATOM 190 CB GLU A 13 -8.826 -0.324 8.544 1.00 1.00 C ATOM 191 CG GLU A 13 -8.194 0.802 9.377 1.00 1.00 C ATOM 192 CD GLU A 13 -7.995 0.393 10.837 1.00 1.00 C ATOM 193 OE1 GLU A 13 -7.102 -0.427 11.143 1.00 1.00 O ATOM 194 OE2 GLU A 13 -8.798 0.811 11.707 1.00 1.00 O ATOM 0 H GLU A 13 -7.163 -0.094 6.763 1.00 1.00 H new ATOM 0 HA GLU A 13 -7.231 -1.645 9.074 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -9.230 0.098 7.624 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -9.665 -0.747 9.096 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -7.233 1.078 8.944 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -8.829 1.687 9.332 1.00 1.00 H new ATOM 201 N ASN A 14 -9.060 -2.881 6.606 1.00 1.00 N ATOM 202 CA ASN A 14 -9.725 -4.074 6.110 1.00 1.00 C ATOM 203 C ASN A 14 -8.784 -5.259 5.879 1.00 1.00 C ATOM 204 O ASN A 14 -9.284 -6.381 5.738 1.00 1.00 O ATOM 205 CB ASN A 14 -10.552 -3.741 4.863 1.00 1.00 C ATOM 206 CG ASN A 14 -11.900 -3.143 5.249 1.00 1.00 C ATOM 207 OD1 ASN A 14 -12.878 -3.873 5.383 1.00 1.00 O ATOM 208 ND2 ASN A 14 -11.992 -1.846 5.450 1.00 1.00 N ATOM 0 H ASN A 14 -9.008 -2.134 5.914 1.00 1.00 H new ATOM 0 HA ASN A 14 -10.399 -4.408 6.898 1.00 1.00 H new ATOM 0 HB2 ASN A 14 -10.004 -3.038 4.235 1.00 1.00 H new ATOM 0 HB3 ASN A 14 -10.706 -4.644 4.272 1.00 1.00 H new ATOM 0 HD21 ASN A 14 -12.885 -1.434 5.721 1.00 1.00 H new ATOM 0 HD22 ASN A 14 -11.170 -1.253 5.335 1.00 1.00 H new ATOM 215 N LEU A 15 -7.457 -5.092 5.900 1.00 1.00 N ATOM 216 CA LEU A 15 -6.532 -6.213 5.794 1.00 1.00 C ATOM 217 C LEU A 15 -6.348 -6.836 7.172 1.00 1.00 C ATOM 218 O LEU A 15 -6.685 -6.239 8.196 1.00 1.00 O ATOM 219 CB LEU A 15 -5.169 -5.746 5.260 1.00 1.00 C ATOM 220 CG LEU A 15 -5.115 -5.407 3.763 1.00 1.00 C ATOM 221 CD1 LEU A 15 -3.672 -5.343 3.252 1.00 1.00 C ATOM 222 CD2 LEU A 15 -5.906 -6.385 2.893 1.00 1.00 C ATOM 0 H LEU A 15 -7.003 -4.183 5.990 1.00 1.00 H new ATOM 0 HA LEU A 15 -6.943 -6.946 5.100 1.00 1.00 H new ATOM 0 HB2 LEU A 15 -4.862 -4.865 5.824 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -4.435 -6.526 5.463 1.00 1.00 H new ATOM 0 HG LEU A 15 -5.582 -4.426 3.676 1.00 1.00 H new ATOM 0 HD11 LEU A 15 -3.673 -5.101 2.189 1.00 1.00 H new ATOM 0 HD12 LEU A 15 -3.126 -4.574 3.799 1.00 1.00 H new ATOM 0 HD13 LEU A 15 -3.189 -6.308 3.404 1.00 1.00 H new ATOM 0 HD21 LEU A 15 -5.826 -6.088 1.847 1.00 1.00 H new ATOM 0 HD22 LEU A 15 -5.503 -7.390 3.017 1.00 1.00 H new ATOM 0 HD23 LEU A 15 -6.954 -6.375 3.194 1.00 1.00 H new ATOM 234 N THR A 16 -5.866 -8.069 7.212 1.00 1.00 N ATOM 235 CA THR A 16 -5.538 -8.770 8.445 1.00 1.00 C ATOM 236 C THR A 16 -4.038 -8.663 8.667 1.00 1.00 C ATOM 237 O THR A 16 -3.317 -8.254 7.765 1.00 1.00 O ATOM 238 CB THR A 16 -5.974 -10.239 8.298 1.00 1.00 C ATOM 239 OG1 THR A 16 -5.309 -10.804 7.180 1.00 1.00 O ATOM 240 CG2 THR A 16 -7.487 -10.365 8.099 1.00 1.00 C ATOM 0 H THR A 16 -5.688 -8.621 6.373 1.00 1.00 H new ATOM 0 HA THR A 16 -6.053 -8.337 9.302 1.00 1.00 H new ATOM 0 HB THR A 16 -5.711 -10.767 9.215 1.00 1.00 H new ATOM 0 HG1 THR A 16 -5.578 -11.741 7.078 1.00 1.00 H new ATOM 0 HG21 THR A 16 -7.755 -11.417 7.999 1.00 1.00 H new ATOM 0 HG22 THR A 16 -8.004 -9.939 8.959 1.00 1.00 H new ATOM 0 HG23 THR A 16 -7.781 -9.829 7.197 1.00 1.00 H new ATOM 248 N ALA A 17 -3.527 -9.075 9.823 1.00 1.00 N ATOM 249 CA ALA A 17 -2.089 -9.099 10.050 1.00 1.00 C ATOM 250 C ALA A 17 -1.367 -10.049 9.074 1.00 1.00 C ATOM 251 O ALA A 17 -0.172 -9.877 8.823 1.00 1.00 O ATOM 252 CB ALA A 17 -1.838 -9.500 11.496 1.00 1.00 C ATOM 0 H ALA A 17 -4.086 -9.395 10.614 1.00 1.00 H new ATOM 0 HA ALA A 17 -1.681 -8.105 9.864 1.00 1.00 H new ATOM 0 HB1 ALA A 17 -0.765 -9.524 11.686 1.00 1.00 H new ATOM 0 HB2 ALA A 17 -2.308 -8.776 12.161 1.00 1.00 H new ATOM 0 HB3 ALA A 17 -2.261 -10.488 11.678 1.00 1.00 H new ATOM 258 N GLU A 18 -2.060 -11.048 8.519 1.00 1.00 N ATOM 259 CA GLU A 18 -1.524 -11.982 7.531 1.00 1.00 C ATOM 260 C GLU A 18 -1.389 -11.270 6.180 1.00 1.00 C ATOM 261 O GLU A 18 -0.318 -11.266 5.567 1.00 1.00 O ATOM 262 CB GLU A 18 -2.443 -13.214 7.471 1.00 1.00 C ATOM 263 CG GLU A 18 -1.851 -14.398 6.695 1.00 1.00 C ATOM 264 CD GLU A 18 -0.541 -14.938 7.288 1.00 1.00 C ATOM 265 OE1 GLU A 18 -0.336 -14.905 8.524 1.00 1.00 O ATOM 266 OE2 GLU A 18 0.333 -15.367 6.502 1.00 1.00 O ATOM 0 H GLU A 18 -3.036 -11.232 8.753 1.00 1.00 H new ATOM 0 HA GLU A 18 -0.528 -12.326 7.809 1.00 1.00 H new ATOM 0 HB2 GLU A 18 -2.669 -13.536 8.488 1.00 1.00 H new ATOM 0 HB3 GLU A 18 -3.388 -12.927 7.010 1.00 1.00 H new ATOM 0 HG2 GLU A 18 -2.584 -15.204 6.666 1.00 1.00 H new ATOM 0 HG3 GLU A 18 -1.673 -14.092 5.664 1.00 1.00 H new ATOM 273 N GLU A 19 -2.448 -10.586 5.745 1.00 1.00 N ATOM 274 CA GLU A 19 -2.377 -9.796 4.526 1.00 1.00 C ATOM 275 C GLU A 19 -1.388 -8.650 4.718 1.00 1.00 C ATOM 276 O GLU A 19 -0.580 -8.398 3.837 1.00 1.00 O ATOM 277 CB GLU A 19 -3.756 -9.258 4.134 1.00 1.00 C ATOM 278 CG GLU A 19 -4.767 -10.343 3.749 1.00 1.00 C ATOM 279 CD GLU A 19 -4.524 -11.005 2.388 1.00 1.00 C ATOM 280 OE1 GLU A 19 -3.371 -11.127 1.925 1.00 1.00 O ATOM 281 OE2 GLU A 19 -5.526 -11.488 1.805 1.00 1.00 O ATOM 0 H GLU A 19 -3.353 -10.566 6.216 1.00 1.00 H new ATOM 0 HA GLU A 19 -2.032 -10.437 3.715 1.00 1.00 H new ATOM 0 HB2 GLU A 19 -4.159 -8.681 4.966 1.00 1.00 H new ATOM 0 HB3 GLU A 19 -3.641 -8.571 3.296 1.00 1.00 H new ATOM 0 HG2 GLU A 19 -4.758 -11.115 4.518 1.00 1.00 H new ATOM 0 HG3 GLU A 19 -5.765 -9.904 3.749 1.00 1.00 H new ATOM 288 N LEU A 20 -1.384 -7.979 5.872 1.00 1.00 N ATOM 289 CA LEU A 20 -0.439 -6.911 6.169 1.00 1.00 C ATOM 290 C LEU A 20 0.988 -7.442 6.145 1.00 1.00 C ATOM 291 O LEU A 20 1.865 -6.727 5.678 1.00 1.00 O ATOM 292 CB LEU A 20 -0.788 -6.136 7.460 1.00 1.00 C ATOM 293 CG LEU A 20 -2.056 -5.253 7.344 1.00 1.00 C ATOM 294 CD1 LEU A 20 -2.285 -4.377 8.577 1.00 1.00 C ATOM 295 CD2 LEU A 20 -1.948 -4.269 6.179 1.00 1.00 C ATOM 0 H LEU A 20 -2.042 -8.166 6.628 1.00 1.00 H new ATOM 0 HA LEU A 20 -0.519 -6.165 5.378 1.00 1.00 H new ATOM 0 HB2 LEU A 20 -0.928 -6.849 8.273 1.00 1.00 H new ATOM 0 HB3 LEU A 20 0.058 -5.505 7.732 1.00 1.00 H new ATOM 0 HG LEU A 20 -2.871 -5.965 7.213 1.00 1.00 H new ATOM 0 HD11 LEU A 20 -3.187 -3.781 8.438 1.00 1.00 H new ATOM 0 HD12 LEU A 20 -2.401 -5.010 9.457 1.00 1.00 H new ATOM 0 HD13 LEU A 20 -1.431 -3.715 8.716 1.00 1.00 H new ATOM 0 HD21 LEU A 20 -2.854 -3.666 6.127 1.00 1.00 H new ATOM 0 HD22 LEU A 20 -1.087 -3.618 6.331 1.00 1.00 H new ATOM 0 HD23 LEU A 20 -1.825 -4.821 5.247 1.00 1.00 H new ATOM 307 N LYS A 21 1.252 -8.679 6.573 1.00 1.00 N ATOM 308 CA LYS A 21 2.585 -9.267 6.451 1.00 1.00 C ATOM 309 C LYS A 21 2.962 -9.305 4.976 1.00 1.00 C ATOM 310 O LYS A 21 3.985 -8.742 4.577 1.00 1.00 O ATOM 311 CB LYS A 21 2.559 -10.680 7.025 1.00 1.00 C ATOM 312 CG LYS A 21 3.872 -11.460 6.858 1.00 1.00 C ATOM 313 CD LYS A 21 3.862 -12.676 7.788 1.00 1.00 C ATOM 314 CE LYS A 21 2.763 -13.670 7.408 1.00 1.00 C ATOM 315 NZ LYS A 21 2.411 -14.534 8.543 1.00 1.00 N ATOM 0 H LYS A 21 0.560 -9.291 7.006 1.00 1.00 H new ATOM 0 HA LYS A 21 3.319 -8.676 6.999 1.00 1.00 H new ATOM 0 HB2 LYS A 21 2.318 -10.623 8.086 1.00 1.00 H new ATOM 0 HB3 LYS A 21 1.756 -11.239 6.545 1.00 1.00 H new ATOM 0 HG2 LYS A 21 3.988 -11.781 5.823 1.00 1.00 H new ATOM 0 HG3 LYS A 21 4.722 -10.818 7.090 1.00 1.00 H new ATOM 0 HD2 LYS A 21 4.831 -13.173 7.748 1.00 1.00 H new ATOM 0 HD3 LYS A 21 3.715 -12.346 8.816 1.00 1.00 H new ATOM 0 HE2 LYS A 21 1.879 -13.128 7.073 1.00 1.00 H new ATOM 0 HE3 LYS A 21 3.097 -14.283 6.571 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 2.602 -15.526 8.296 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 2.980 -14.268 9.372 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 1.401 -14.421 8.765 1.00 1.00 H new ATOM 329 N LYS A 22 2.131 -9.973 4.165 1.00 1.00 N ATOM 330 CA LYS A 22 2.404 -10.100 2.739 1.00 1.00 C ATOM 331 C LYS A 22 2.532 -8.724 2.088 1.00 1.00 C ATOM 332 O LYS A 22 3.474 -8.525 1.336 1.00 1.00 O ATOM 333 CB LYS A 22 1.348 -10.987 2.068 1.00 1.00 C ATOM 334 CG LYS A 22 1.651 -12.477 2.275 1.00 1.00 C ATOM 335 CD LYS A 22 0.594 -13.384 1.632 1.00 1.00 C ATOM 336 CE LYS A 22 0.516 -13.238 0.110 1.00 1.00 C ATOM 337 NZ LYS A 22 -0.391 -14.243 -0.472 1.00 1.00 N ATOM 0 H LYS A 22 1.272 -10.428 4.475 1.00 1.00 H new ATOM 0 HA LYS A 22 3.364 -10.597 2.600 1.00 1.00 H new ATOM 0 HB2 LYS A 22 0.364 -10.755 2.476 1.00 1.00 H new ATOM 0 HB3 LYS A 22 1.311 -10.767 1.001 1.00 1.00 H new ATOM 0 HG2 LYS A 22 2.629 -12.708 1.853 1.00 1.00 H new ATOM 0 HG3 LYS A 22 1.706 -12.689 3.343 1.00 1.00 H new ATOM 0 HD2 LYS A 22 0.817 -14.422 1.880 1.00 1.00 H new ATOM 0 HD3 LYS A 22 -0.381 -13.156 2.062 1.00 1.00 H new ATOM 0 HE2 LYS A 22 0.167 -12.237 -0.145 1.00 1.00 H new ATOM 0 HE3 LYS A 22 1.511 -13.348 -0.321 1.00 1.00 H new ATOM 0 HZ1 LYS A 22 -0.426 -14.122 -1.504 1.00 1.00 H new ATOM 0 HZ2 LYS A 22 -0.043 -15.197 -0.246 1.00 1.00 H new ATOM 0 HZ3 LYS A 22 -1.345 -14.120 -0.076 1.00 1.00 H new ATOM 351 N PHE A 23 1.662 -7.767 2.399 1.00 1.00 N ATOM 352 CA PHE A 23 1.682 -6.393 1.907 1.00 1.00 C ATOM 353 C PHE A 23 3.026 -5.744 2.221 1.00 1.00 C ATOM 354 O PHE A 23 3.710 -5.252 1.327 1.00 1.00 O ATOM 355 CB PHE A 23 0.527 -5.616 2.561 1.00 1.00 C ATOM 356 CG PHE A 23 0.307 -4.198 2.070 1.00 1.00 C ATOM 357 CD1 PHE A 23 -0.300 -3.964 0.821 1.00 1.00 C ATOM 358 CD2 PHE A 23 0.672 -3.102 2.875 1.00 1.00 C ATOM 359 CE1 PHE A 23 -0.515 -2.651 0.366 1.00 1.00 C ATOM 360 CE2 PHE A 23 0.426 -1.792 2.429 1.00 1.00 C ATOM 361 CZ PHE A 23 -0.146 -1.560 1.169 1.00 1.00 C ATOM 0 H PHE A 23 0.883 -7.938 3.035 1.00 1.00 H new ATOM 0 HA PHE A 23 1.552 -6.381 0.825 1.00 1.00 H new ATOM 0 HB2 PHE A 23 -0.394 -6.178 2.406 1.00 1.00 H new ATOM 0 HB3 PHE A 23 0.703 -5.582 3.636 1.00 1.00 H new ATOM 0 HD1 PHE A 23 -0.603 -4.800 0.208 1.00 1.00 H new ATOM 0 HD2 PHE A 23 1.140 -3.268 3.834 1.00 1.00 H new ATOM 0 HE1 PHE A 23 -0.964 -2.482 -0.601 1.00 1.00 H new ATOM 0 HE2 PHE A 23 0.680 -0.955 3.063 1.00 1.00 H new ATOM 0 HZ PHE A 23 -0.301 -0.550 0.820 1.00 1.00 H new ATOM 371 N LYS A 24 3.420 -5.746 3.494 1.00 1.00 N ATOM 372 CA LYS A 24 4.627 -5.097 3.976 1.00 1.00 C ATOM 373 C LYS A 24 5.891 -5.726 3.378 1.00 1.00 C ATOM 374 O LYS A 24 6.895 -5.032 3.238 1.00 1.00 O ATOM 375 CB LYS A 24 4.572 -5.054 5.509 1.00 1.00 C ATOM 376 CG LYS A 24 3.437 -4.119 5.994 1.00 1.00 C ATOM 377 CD LYS A 24 3.280 -4.086 7.521 1.00 1.00 C ATOM 378 CE LYS A 24 2.200 -3.057 7.902 1.00 1.00 C ATOM 379 NZ LYS A 24 2.094 -2.816 9.357 1.00 1.00 N ATOM 0 H LYS A 24 2.892 -6.212 4.232 1.00 1.00 H new ATOM 0 HA LYS A 24 4.680 -4.064 3.631 1.00 1.00 H new ATOM 0 HB2 LYS A 24 4.413 -6.059 5.900 1.00 1.00 H new ATOM 0 HB3 LYS A 24 5.528 -4.707 5.902 1.00 1.00 H new ATOM 0 HG2 LYS A 24 3.631 -3.108 5.635 1.00 1.00 H new ATOM 0 HG3 LYS A 24 2.496 -4.441 5.547 1.00 1.00 H new ATOM 0 HD2 LYS A 24 3.004 -5.073 7.891 1.00 1.00 H new ATOM 0 HD3 LYS A 24 4.229 -3.824 7.990 1.00 1.00 H new ATOM 0 HE2 LYS A 24 2.417 -2.113 7.402 1.00 1.00 H new ATOM 0 HE3 LYS A 24 1.235 -3.401 7.529 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 1.148 -2.447 9.580 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 2.247 -3.708 9.869 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 2.813 -2.123 9.647 1.00 1.00 H new ATOM 393 N LEU A 25 5.865 -7.008 3.008 1.00 1.00 N ATOM 394 CA LEU A 25 6.965 -7.678 2.320 1.00 1.00 C ATOM 395 C LEU A 25 6.919 -7.334 0.837 1.00 1.00 C ATOM 396 O LEU A 25 7.948 -6.977 0.276 1.00 1.00 O ATOM 397 CB LEU A 25 6.839 -9.203 2.487 1.00 1.00 C ATOM 398 CG LEU A 25 7.318 -9.702 3.859 1.00 1.00 C ATOM 399 CD1 LEU A 25 6.709 -11.073 4.168 1.00 1.00 C ATOM 400 CD2 LEU A 25 8.848 -9.804 3.876 1.00 1.00 C ATOM 0 H LEU A 25 5.066 -7.617 3.182 1.00 1.00 H new ATOM 0 HA LEU A 25 7.909 -7.344 2.750 1.00 1.00 H new ATOM 0 HB2 LEU A 25 5.798 -9.493 2.345 1.00 1.00 H new ATOM 0 HB3 LEU A 25 7.417 -9.697 1.706 1.00 1.00 H new ATOM 0 HG LEU A 25 6.996 -8.990 4.619 1.00 1.00 H new ATOM 0 HD11 LEU A 25 7.057 -11.414 5.143 1.00 1.00 H new ATOM 0 HD12 LEU A 25 5.622 -10.994 4.178 1.00 1.00 H new ATOM 0 HD13 LEU A 25 7.014 -11.787 3.403 1.00 1.00 H new ATOM 0 HD21 LEU A 25 9.178 -10.158 4.852 1.00 1.00 H new ATOM 0 HD22 LEU A 25 9.175 -10.504 3.107 1.00 1.00 H new ATOM 0 HD23 LEU A 25 9.280 -8.823 3.681 1.00 1.00 H new ATOM 412 N LYS A 26 5.748 -7.410 0.194 1.00 1.00 N ATOM 413 CA LYS A 26 5.542 -7.064 -1.214 1.00 1.00 C ATOM 414 C LYS A 26 6.023 -5.635 -1.477 1.00 1.00 C ATOM 415 O LYS A 26 6.677 -5.391 -2.492 1.00 1.00 O ATOM 416 CB LYS A 26 4.070 -7.274 -1.602 1.00 1.00 C ATOM 417 CG LYS A 26 3.663 -8.756 -1.692 1.00 1.00 C ATOM 418 CD LYS A 26 3.578 -9.251 -3.138 1.00 1.00 C ATOM 419 CE LYS A 26 3.168 -10.727 -3.176 1.00 1.00 C ATOM 420 NZ LYS A 26 3.275 -11.305 -4.530 1.00 1.00 N ATOM 0 H LYS A 26 4.893 -7.723 0.654 1.00 1.00 H new ATOM 0 HA LYS A 26 6.135 -7.725 -1.847 1.00 1.00 H new ATOM 0 HB2 LYS A 26 3.435 -6.775 -0.870 1.00 1.00 H new ATOM 0 HB3 LYS A 26 3.884 -6.796 -2.564 1.00 1.00 H new ATOM 0 HG2 LYS A 26 4.385 -9.362 -1.145 1.00 1.00 H new ATOM 0 HG3 LYS A 26 2.697 -8.895 -1.206 1.00 1.00 H new ATOM 0 HD2 LYS A 26 2.855 -8.652 -3.692 1.00 1.00 H new ATOM 0 HD3 LYS A 26 4.542 -9.122 -3.630 1.00 1.00 H new ATOM 0 HE2 LYS A 26 3.798 -11.294 -2.491 1.00 1.00 H new ATOM 0 HE3 LYS A 26 2.142 -10.826 -2.822 1.00 1.00 H new ATOM 0 HZ1 LYS A 26 3.340 -12.341 -4.461 1.00 1.00 H new ATOM 0 HZ2 LYS A 26 2.434 -11.047 -5.085 1.00 1.00 H new ATOM 0 HZ3 LYS A 26 4.126 -10.935 -4.999 1.00 1.00 H new ATOM 434 N LEU A 27 5.772 -4.714 -0.541 1.00 1.00 N ATOM 435 CA LEU A 27 6.251 -3.334 -0.567 1.00 1.00 C ATOM 436 C LEU A 27 7.765 -3.235 -0.689 1.00 1.00 C ATOM 437 O LEU A 27 8.250 -2.221 -1.187 1.00 1.00 O ATOM 438 CB LEU A 27 5.813 -2.568 0.694 1.00 1.00 C ATOM 439 CG LEU A 27 4.377 -2.036 0.625 1.00 1.00 C ATOM 440 CD1 LEU A 27 3.795 -1.657 1.985 1.00 1.00 C ATOM 441 CD2 LEU A 27 4.363 -0.752 -0.196 1.00 1.00 C ATOM 0 H LEU A 27 5.209 -4.920 0.284 1.00 1.00 H new ATOM 0 HA LEU A 27 5.803 -2.886 -1.454 1.00 1.00 H new ATOM 0 HB2 LEU A 27 5.906 -3.226 1.558 1.00 1.00 H new ATOM 0 HB3 LEU A 27 6.493 -1.732 0.855 1.00 1.00 H new ATOM 0 HG LEU A 27 3.784 -2.843 0.194 1.00 1.00 H new ATOM 0 HD11 LEU A 27 2.777 -1.289 1.855 1.00 1.00 H new ATOM 0 HD12 LEU A 27 3.785 -2.533 2.633 1.00 1.00 H new ATOM 0 HD13 LEU A 27 4.407 -0.878 2.438 1.00 1.00 H new ATOM 0 HD21 LEU A 27 3.345 -0.366 -0.251 1.00 1.00 H new ATOM 0 HD22 LEU A 27 5.007 -0.011 0.277 1.00 1.00 H new ATOM 0 HD23 LEU A 27 4.727 -0.960 -1.202 1.00 1.00 H new ATOM 453 N LEU A 28 8.519 -4.253 -0.280 1.00 1.00 N ATOM 454 CA LEU A 28 9.964 -4.296 -0.447 1.00 1.00 C ATOM 455 C LEU A 28 10.294 -5.620 -1.150 1.00 1.00 C ATOM 456 O LEU A 28 11.199 -6.354 -0.758 1.00 1.00 O ATOM 457 CB LEU A 28 10.647 -4.138 0.922 1.00 1.00 C ATOM 458 CG LEU A 28 12.118 -3.635 0.827 1.00 1.00 C ATOM 459 CD1 LEU A 28 12.902 -4.030 2.084 1.00 1.00 C ATOM 460 CD2 LEU A 28 12.964 -3.938 -0.430 1.00 1.00 C ATOM 0 H LEU A 28 8.137 -5.079 0.181 1.00 1.00 H new ATOM 0 HA LEU A 28 10.339 -3.477 -1.061 1.00 1.00 H new ATOM 0 HB2 LEU A 28 10.071 -3.439 1.528 1.00 1.00 H new ATOM 0 HB3 LEU A 28 10.632 -5.097 1.440 1.00 1.00 H new ATOM 0 HG LEU A 28 11.960 -2.561 0.734 1.00 1.00 H new ATOM 0 HD11 LEU A 28 13.928 -3.671 2.001 1.00 1.00 H new ATOM 0 HD12 LEU A 28 12.432 -3.585 2.961 1.00 1.00 H new ATOM 0 HD13 LEU A 28 12.905 -5.115 2.185 1.00 1.00 H new ATOM 0 HD21 LEU A 28 13.959 -3.508 -0.312 1.00 1.00 H new ATOM 0 HD22 LEU A 28 13.048 -5.017 -0.560 1.00 1.00 H new ATOM 0 HD23 LEU A 28 12.483 -3.503 -1.306 1.00 1.00 H new ATOM 472 N SER A 29 9.517 -5.964 -2.175 1.00 1.00 N ATOM 473 CA SER A 29 9.713 -7.125 -3.026 1.00 1.00 C ATOM 474 C SER A 29 9.835 -6.595 -4.444 1.00 1.00 C ATOM 475 O SER A 29 10.870 -6.813 -5.079 1.00 1.00 O ATOM 476 CB SER A 29 8.566 -8.117 -2.824 1.00 1.00 C ATOM 477 OG SER A 29 8.793 -9.340 -3.490 1.00 1.00 O ATOM 0 H SER A 29 8.700 -5.415 -2.443 1.00 1.00 H new ATOM 0 HA SER A 29 10.616 -7.686 -2.784 1.00 1.00 H new ATOM 0 HB2 SER A 29 8.434 -8.305 -1.758 1.00 1.00 H new ATOM 0 HB3 SER A 29 7.638 -7.675 -3.187 1.00 1.00 H new ATOM 0 HG SER A 29 8.037 -9.943 -3.333 1.00 1.00 H new ATOM 483 N VAL A 30 8.825 -5.873 -4.935 1.00 1.00 N ATOM 484 CA VAL A 30 8.905 -5.233 -6.237 1.00 1.00 C ATOM 485 C VAL A 30 9.911 -4.072 -6.111 1.00 1.00 C ATOM 486 O VAL A 30 9.748 -3.225 -5.222 1.00 1.00 O ATOM 487 CB VAL A 30 7.494 -4.833 -6.728 1.00 1.00 C ATOM 488 CG1 VAL A 30 6.708 -3.888 -5.804 1.00 1.00 C ATOM 489 CG2 VAL A 30 7.555 -4.224 -8.134 1.00 1.00 C ATOM 0 H VAL A 30 7.944 -5.721 -4.445 1.00 1.00 H new ATOM 0 HA VAL A 30 9.275 -5.904 -7.012 1.00 1.00 H new ATOM 0 HB VAL A 30 6.943 -5.774 -6.730 1.00 1.00 H new ATOM 0 HG11 VAL A 30 5.735 -3.674 -6.245 1.00 1.00 H new ATOM 0 HG12 VAL A 30 6.569 -4.362 -4.832 1.00 1.00 H new ATOM 0 HG13 VAL A 30 7.262 -2.958 -5.679 1.00 1.00 H new ATOM 0 HG21 VAL A 30 6.550 -3.951 -8.456 1.00 1.00 H new ATOM 0 HG22 VAL A 30 8.185 -3.335 -8.118 1.00 1.00 H new ATOM 0 HG23 VAL A 30 7.973 -4.953 -8.828 1.00 1.00 H new ATOM 499 N PRO A 31 10.998 -4.030 -6.901 1.00 1.00 N ATOM 500 CA PRO A 31 11.912 -2.901 -6.894 1.00 1.00 C ATOM 501 C PRO A 31 11.179 -1.764 -7.622 1.00 1.00 C ATOM 502 O PRO A 31 10.937 -1.847 -8.832 1.00 1.00 O ATOM 503 CB PRO A 31 13.165 -3.377 -7.633 1.00 1.00 C ATOM 504 CG PRO A 31 12.641 -4.440 -8.596 1.00 1.00 C ATOM 505 CD PRO A 31 11.438 -5.034 -7.862 1.00 1.00 C ATOM 0 HA PRO A 31 12.207 -2.544 -5.907 1.00 1.00 H new ATOM 0 HB2 PRO A 31 13.650 -2.559 -8.166 1.00 1.00 H new ATOM 0 HB3 PRO A 31 13.902 -3.790 -6.945 1.00 1.00 H new ATOM 0 HG2 PRO A 31 12.351 -4.005 -9.553 1.00 1.00 H new ATOM 0 HG3 PRO A 31 13.396 -5.198 -8.805 1.00 1.00 H new ATOM 0 HD2 PRO A 31 10.638 -5.277 -8.562 1.00 1.00 H new ATOM 0 HD3 PRO A 31 11.711 -5.960 -7.357 1.00 1.00 H new ATOM 513 N LEU A 32 10.784 -0.718 -6.901 1.00 1.00 N ATOM 514 CA LEU A 32 9.981 0.382 -7.443 1.00 1.00 C ATOM 515 C LEU A 32 10.901 1.392 -8.141 1.00 1.00 C ATOM 516 O LEU A 32 12.127 1.310 -8.015 1.00 1.00 O ATOM 517 CB LEU A 32 9.216 1.033 -6.282 1.00 1.00 C ATOM 518 CG LEU A 32 8.043 1.949 -6.691 1.00 1.00 C ATOM 519 CD1 LEU A 32 6.707 1.397 -6.182 1.00 1.00 C ATOM 520 CD2 LEU A 32 8.264 3.350 -6.121 1.00 1.00 C ATOM 0 H LEU A 32 11.013 -0.606 -5.913 1.00 1.00 H new ATOM 0 HA LEU A 32 9.267 0.017 -8.181 1.00 1.00 H new ATOM 0 HB2 LEU A 32 8.830 0.244 -5.636 1.00 1.00 H new ATOM 0 HB3 LEU A 32 9.920 1.616 -5.688 1.00 1.00 H new ATOM 0 HG LEU A 32 8.006 1.991 -7.780 1.00 1.00 H new ATOM 0 HD11 LEU A 32 5.899 2.063 -6.485 1.00 1.00 H new ATOM 0 HD12 LEU A 32 6.538 0.406 -6.604 1.00 1.00 H new ATOM 0 HD13 LEU A 32 6.732 1.329 -5.094 1.00 1.00 H new ATOM 0 HD21 LEU A 32 7.435 3.996 -6.411 1.00 1.00 H new ATOM 0 HD22 LEU A 32 8.319 3.296 -5.034 1.00 1.00 H new ATOM 0 HD23 LEU A 32 9.196 3.759 -6.512 1.00 1.00 H new ATOM 532 N ARG A 33 10.316 2.330 -8.887 1.00 1.00 N ATOM 533 CA ARG A 33 11.039 3.301 -9.701 1.00 1.00 C ATOM 534 C ARG A 33 11.696 4.397 -8.866 1.00 1.00 C ATOM 535 O ARG A 33 11.482 4.494 -7.657 1.00 1.00 O ATOM 536 CB ARG A 33 10.082 3.955 -10.710 1.00 1.00 C ATOM 537 CG ARG A 33 9.447 2.949 -11.673 1.00 1.00 C ATOM 538 CD ARG A 33 8.742 3.724 -12.785 1.00 1.00 C ATOM 539 NE ARG A 33 7.964 2.833 -13.653 1.00 1.00 N ATOM 540 CZ ARG A 33 8.355 2.306 -14.815 1.00 1.00 C ATOM 541 NH1 ARG A 33 9.616 2.421 -15.221 1.00 1.00 N ATOM 542 NH2 ARG A 33 7.473 1.654 -15.557 1.00 1.00 N ATOM 0 H ARG A 33 9.303 2.436 -8.942 1.00 1.00 H new ATOM 0 HA ARG A 33 11.828 2.753 -10.215 1.00 1.00 H new ATOM 0 HB2 ARG A 33 9.294 4.478 -10.168 1.00 1.00 H new ATOM 0 HB3 ARG A 33 10.626 4.705 -11.284 1.00 1.00 H new ATOM 0 HG2 ARG A 33 10.209 2.293 -12.093 1.00 1.00 H new ATOM 0 HG3 ARG A 33 8.736 2.314 -11.144 1.00 1.00 H new ATOM 0 HD2 ARG A 33 8.083 4.473 -12.346 1.00 1.00 H new ATOM 0 HD3 ARG A 33 9.481 4.260 -13.381 1.00 1.00 H new ATOM 0 HE ARG A 33 7.026 2.591 -13.335 1.00 1.00 H new ATOM 0 HH11 ARG A 33 10.295 2.916 -14.642 1.00 1.00 H new ATOM 0 HH12 ARG A 33 9.904 2.014 -16.111 1.00 1.00 H new ATOM 0 HH21 ARG A 33 6.509 1.560 -15.238 1.00 1.00 H new ATOM 0 HH22 ARG A 33 7.758 1.246 -16.447 1.00 1.00 H new ATOM 556 N GLU A 34 12.471 5.239 -9.539 1.00 1.00 N ATOM 557 CA GLU A 34 13.103 6.421 -8.979 1.00 1.00 C ATOM 558 C GLU A 34 12.066 7.556 -9.016 1.00 1.00 C ATOM 559 O GLU A 34 11.026 7.453 -9.678 1.00 1.00 O ATOM 560 CB GLU A 34 14.367 6.735 -9.797 1.00 1.00 C ATOM 561 CG GLU A 34 15.127 7.966 -9.280 1.00 1.00 C ATOM 562 CD GLU A 34 16.562 8.049 -9.792 1.00 1.00 C ATOM 563 OE1 GLU A 34 16.798 7.876 -11.007 1.00 1.00 O ATOM 564 OE2 GLU A 34 17.458 8.347 -8.967 1.00 1.00 O ATOM 0 H GLU A 34 12.683 5.109 -10.528 1.00 1.00 H new ATOM 0 HA GLU A 34 13.419 6.280 -7.945 1.00 1.00 H new ATOM 0 HB2 GLU A 34 15.030 5.870 -9.776 1.00 1.00 H new ATOM 0 HB3 GLU A 34 14.088 6.898 -10.838 1.00 1.00 H new ATOM 0 HG2 GLU A 34 14.590 8.867 -9.577 1.00 1.00 H new ATOM 0 HG3 GLU A 34 15.138 7.946 -8.190 1.00 1.00 H new ATOM 571 N GLY A 35 12.339 8.639 -8.286 1.00 1.00 N ATOM 572 CA GLY A 35 11.431 9.766 -8.117 1.00 1.00 C ATOM 573 C GLY A 35 10.354 9.480 -7.074 1.00 1.00 C ATOM 574 O GLY A 35 9.472 10.307 -6.854 1.00 1.00 O ATOM 0 H GLY A 35 13.220 8.756 -7.785 1.00 1.00 H new ATOM 0 HA2 GLY A 35 11.999 10.648 -7.820 1.00 1.00 H new ATOM 0 HA3 GLY A 35 10.959 9.998 -9.072 1.00 1.00 H new ATOM 578 N TYR A 36 10.420 8.312 -6.439 1.00 1.00 N ATOM 579 CA TYR A 36 9.530 7.822 -5.416 1.00 1.00 C ATOM 580 C TYR A 36 10.395 7.032 -4.442 1.00 1.00 C ATOM 581 O TYR A 36 11.375 6.405 -4.860 1.00 1.00 O ATOM 582 CB TYR A 36 8.488 6.930 -6.093 1.00 1.00 C ATOM 583 CG TYR A 36 7.554 7.706 -6.998 1.00 1.00 C ATOM 584 CD1 TYR A 36 6.564 8.530 -6.434 1.00 1.00 C ATOM 585 CD2 TYR A 36 7.740 7.690 -8.395 1.00 1.00 C ATOM 586 CE1 TYR A 36 5.755 9.326 -7.258 1.00 1.00 C ATOM 587 CE2 TYR A 36 6.947 8.506 -9.222 1.00 1.00 C ATOM 588 CZ TYR A 36 5.950 9.331 -8.655 1.00 1.00 C ATOM 589 OH TYR A 36 5.195 10.152 -9.439 1.00 1.00 O ATOM 0 H TYR A 36 11.158 7.640 -6.650 1.00 1.00 H new ATOM 0 HA TYR A 36 9.006 8.615 -4.882 1.00 1.00 H new ATOM 0 HB2 TYR A 36 8.997 6.162 -6.675 1.00 1.00 H new ATOM 0 HB3 TYR A 36 7.904 6.417 -5.329 1.00 1.00 H new ATOM 0 HD1 TYR A 36 6.426 8.550 -5.363 1.00 1.00 H new ATOM 0 HD2 TYR A 36 8.493 7.050 -8.831 1.00 1.00 H new ATOM 0 HE1 TYR A 36 4.980 9.938 -6.821 1.00 1.00 H new ATOM 0 HE2 TYR A 36 7.100 8.502 -10.291 1.00 1.00 H new ATOM 0 HH TYR A 36 5.453 10.036 -10.377 1.00 1.00 H new ATOM 599 N GLY A 37 10.046 7.059 -3.158 1.00 1.00 N ATOM 600 CA GLY A 37 10.794 6.332 -2.144 1.00 1.00 C ATOM 601 C GLY A 37 10.397 4.860 -2.121 1.00 1.00 C ATOM 602 O GLY A 37 9.540 4.407 -2.885 1.00 1.00 O ATOM 0 H GLY A 37 9.246 7.580 -2.797 1.00 1.00 H new ATOM 0 HA2 GLY A 37 11.862 6.421 -2.342 1.00 1.00 H new ATOM 0 HA3 GLY A 37 10.613 6.776 -1.165 1.00 1.00 H new ATOM 606 N ARG A 38 11.009 4.092 -1.221 1.00 1.00 N ATOM 607 CA ARG A 38 10.675 2.689 -0.982 1.00 1.00 C ATOM 608 C ARG A 38 10.737 2.478 0.518 1.00 1.00 C ATOM 609 O ARG A 38 11.842 2.476 1.078 1.00 1.00 O ATOM 610 CB ARG A 38 11.595 1.732 -1.752 1.00 1.00 C ATOM 611 CG ARG A 38 11.323 1.794 -3.261 1.00 1.00 C ATOM 612 CD ARG A 38 11.957 0.611 -4.003 1.00 1.00 C ATOM 613 NE ARG A 38 12.822 1.045 -5.118 1.00 1.00 N ATOM 614 CZ ARG A 38 14.159 1.083 -5.100 1.00 1.00 C ATOM 615 NH1 ARG A 38 14.846 0.576 -4.083 1.00 1.00 N ATOM 616 NH2 ARG A 38 14.816 1.631 -6.111 1.00 1.00 N ATOM 0 H ARG A 38 11.764 4.434 -0.627 1.00 1.00 H new ATOM 0 HA ARG A 38 9.676 2.463 -1.355 1.00 1.00 H new ATOM 0 HB2 ARG A 38 12.636 1.989 -1.557 1.00 1.00 H new ATOM 0 HB3 ARG A 38 11.445 0.713 -1.394 1.00 1.00 H new ATOM 0 HG2 ARG A 38 10.247 1.799 -3.437 1.00 1.00 H new ATOM 0 HG3 ARG A 38 11.716 2.728 -3.663 1.00 1.00 H new ATOM 0 HD2 ARG A 38 12.543 0.018 -3.301 1.00 1.00 H new ATOM 0 HD3 ARG A 38 11.170 -0.037 -4.388 1.00 1.00 H new ATOM 0 HE ARG A 38 12.360 1.342 -5.977 1.00 1.00 H new ATOM 0 HH11 ARG A 38 14.354 0.148 -3.298 1.00 1.00 H new ATOM 0 HH12 ARG A 38 15.865 0.614 -4.087 1.00 1.00 H new ATOM 0 HH21 ARG A 38 14.302 2.023 -6.901 1.00 1.00 H new ATOM 0 HH22 ARG A 38 15.835 1.661 -6.100 1.00 1.00 H new ATOM 630 N ILE A 39 9.591 2.279 1.166 1.00 1.00 N ATOM 631 CA ILE A 39 9.540 2.188 2.620 1.00 1.00 C ATOM 632 C ILE A 39 9.910 0.737 2.955 1.00 1.00 C ATOM 633 O ILE A 39 9.302 -0.188 2.414 1.00 1.00 O ATOM 634 CB ILE A 39 8.146 2.578 3.174 1.00 1.00 C ATOM 635 CG1 ILE A 39 7.635 3.932 2.619 1.00 1.00 C ATOM 636 CG2 ILE A 39 8.218 2.655 4.715 1.00 1.00 C ATOM 637 CD1 ILE A 39 6.195 4.277 3.026 1.00 1.00 C ATOM 0 H ILE A 39 8.687 2.178 0.705 1.00 1.00 H new ATOM 0 HA ILE A 39 10.232 2.889 3.088 1.00 1.00 H new ATOM 0 HB ILE A 39 7.442 1.811 2.852 1.00 1.00 H new ATOM 0 HG12 ILE A 39 8.298 4.726 2.963 1.00 1.00 H new ATOM 0 HG13 ILE A 39 7.698 3.913 1.531 1.00 1.00 H new ATOM 0 HG21 ILE A 39 7.240 2.929 5.112 1.00 1.00 H new ATOM 0 HG22 ILE A 39 8.513 1.685 5.114 1.00 1.00 H new ATOM 0 HG23 ILE A 39 8.952 3.406 5.008 1.00 1.00 H new ATOM 0 HD11 ILE A 39 5.916 5.239 2.596 1.00 1.00 H new ATOM 0 HD12 ILE A 39 5.518 3.506 2.658 1.00 1.00 H new ATOM 0 HD13 ILE A 39 6.127 4.331 4.113 1.00 1.00 H new ATOM 649 N PRO A 40 10.946 0.516 3.781 1.00 1.00 N ATOM 650 CA PRO A 40 11.438 -0.821 4.061 1.00 1.00 C ATOM 651 C PRO A 40 10.513 -1.607 4.991 1.00 1.00 C ATOM 652 O PRO A 40 9.799 -1.055 5.829 1.00 1.00 O ATOM 653 CB PRO A 40 12.825 -0.610 4.658 1.00 1.00 C ATOM 654 CG PRO A 40 12.702 0.730 5.372 1.00 1.00 C ATOM 655 CD PRO A 40 11.764 1.514 4.457 1.00 1.00 C ATOM 0 HA PRO A 40 11.476 -1.431 3.158 1.00 1.00 H new ATOM 0 HB2 PRO A 40 13.091 -1.410 5.349 1.00 1.00 H new ATOM 0 HB3 PRO A 40 13.595 -0.585 3.887 1.00 1.00 H new ATOM 0 HG2 PRO A 40 12.289 0.618 6.375 1.00 1.00 H new ATOM 0 HG3 PRO A 40 13.669 1.222 5.478 1.00 1.00 H new ATOM 0 HD2 PRO A 40 11.145 2.204 5.030 1.00 1.00 H new ATOM 0 HD3 PRO A 40 12.326 2.111 3.739 1.00 1.00 H new ATOM 663 N ARG A 41 10.610 -2.932 4.895 1.00 1.00 N ATOM 664 CA ARG A 41 9.766 -3.893 5.587 1.00 1.00 C ATOM 665 C ARG A 41 9.722 -3.690 7.097 1.00 1.00 C ATOM 666 O ARG A 41 8.631 -3.599 7.646 1.00 1.00 O ATOM 667 CB ARG A 41 10.211 -5.307 5.187 1.00 1.00 C ATOM 668 CG ARG A 41 9.244 -6.404 5.661 1.00 1.00 C ATOM 669 CD ARG A 41 9.979 -7.604 6.271 1.00 1.00 C ATOM 670 NE ARG A 41 10.626 -7.268 7.557 1.00 1.00 N ATOM 671 CZ ARG A 41 10.282 -7.731 8.769 1.00 1.00 C ATOM 672 NH1 ARG A 41 9.393 -8.710 8.917 1.00 1.00 N ATOM 673 NH2 ARG A 41 10.835 -7.207 9.854 1.00 1.00 N ATOM 0 H ARG A 41 11.311 -3.380 4.306 1.00 1.00 H new ATOM 0 HA ARG A 41 8.733 -3.737 5.275 1.00 1.00 H new ATOM 0 HB2 ARG A 41 10.304 -5.358 4.102 1.00 1.00 H new ATOM 0 HB3 ARG A 41 11.200 -5.500 5.601 1.00 1.00 H new ATOM 0 HG2 ARG A 41 8.559 -5.987 6.399 1.00 1.00 H new ATOM 0 HG3 ARG A 41 8.639 -6.741 4.819 1.00 1.00 H new ATOM 0 HD2 ARG A 41 9.273 -8.421 6.424 1.00 1.00 H new ATOM 0 HD3 ARG A 41 10.733 -7.961 5.569 1.00 1.00 H new ATOM 0 HE ARG A 41 11.412 -6.620 7.520 1.00 1.00 H new ATOM 0 HH11 ARG A 41 8.954 -9.128 8.097 1.00 1.00 H new ATOM 0 HH12 ARG A 41 9.151 -9.042 9.851 1.00 1.00 H new ATOM 0 HH21 ARG A 41 11.519 -6.455 9.766 1.00 1.00 H new ATOM 0 HH22 ARG A 41 10.577 -7.556 10.777 1.00 1.00 H new ATOM 687 N GLY A 42 10.859 -3.635 7.789 1.00 1.00 N ATOM 688 CA GLY A 42 10.860 -3.496 9.242 1.00 1.00 C ATOM 689 C GLY A 42 10.119 -2.236 9.680 1.00 1.00 C ATOM 690 O GLY A 42 9.309 -2.297 10.612 1.00 1.00 O ATOM 0 H GLY A 42 11.787 -3.684 7.368 1.00 1.00 H new ATOM 0 HA2 GLY A 42 10.392 -4.371 9.693 1.00 1.00 H new ATOM 0 HA3 GLY A 42 11.887 -3.461 9.605 1.00 1.00 H new ATOM 694 N ALA A 43 10.364 -1.127 8.974 1.00 1.00 N ATOM 695 CA ALA A 43 9.728 0.154 9.244 1.00 1.00 C ATOM 696 C ALA A 43 8.221 0.034 9.025 1.00 1.00 C ATOM 697 O ALA A 43 7.426 0.514 9.827 1.00 1.00 O ATOM 698 CB ALA A 43 10.330 1.248 8.357 1.00 1.00 C ATOM 0 H ALA A 43 11.018 -1.100 8.192 1.00 1.00 H new ATOM 0 HA ALA A 43 9.907 0.434 10.282 1.00 1.00 H new ATOM 0 HB1 ALA A 43 9.843 2.199 8.572 1.00 1.00 H new ATOM 0 HB2 ALA A 43 11.398 1.333 8.559 1.00 1.00 H new ATOM 0 HB3 ALA A 43 10.178 0.991 7.309 1.00 1.00 H new ATOM 704 N LEU A 44 7.821 -0.641 7.947 1.00 1.00 N ATOM 705 CA LEU A 44 6.421 -0.885 7.661 1.00 1.00 C ATOM 706 C LEU A 44 5.753 -1.699 8.760 1.00 1.00 C ATOM 707 O LEU A 44 4.588 -1.446 9.040 1.00 1.00 O ATOM 708 CB LEU A 44 6.253 -1.602 6.323 1.00 1.00 C ATOM 709 CG LEU A 44 6.538 -0.733 5.094 1.00 1.00 C ATOM 710 CD1 LEU A 44 6.676 -1.666 3.894 1.00 1.00 C ATOM 711 CD2 LEU A 44 5.411 0.282 4.864 1.00 1.00 C ATOM 0 H LEU A 44 8.461 -1.030 7.255 1.00 1.00 H new ATOM 0 HA LEU A 44 5.935 0.089 7.611 1.00 1.00 H new ATOM 0 HB2 LEU A 44 6.917 -2.466 6.303 1.00 1.00 H new ATOM 0 HB3 LEU A 44 5.234 -1.982 6.255 1.00 1.00 H new ATOM 0 HG LEU A 44 7.455 -0.162 5.242 1.00 1.00 H new ATOM 0 HD11 LEU A 44 6.880 -1.079 2.998 1.00 1.00 H new ATOM 0 HD12 LEU A 44 7.497 -2.362 4.067 1.00 1.00 H new ATOM 0 HD13 LEU A 44 5.750 -2.224 3.759 1.00 1.00 H new ATOM 0 HD21 LEU A 44 5.639 0.886 3.986 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.471 -0.247 4.707 1.00 1.00 H new ATOM 0 HD23 LEU A 44 5.321 0.930 5.736 1.00 1.00 H new ATOM 723 N LEU A 45 6.435 -2.685 9.353 1.00 1.00 N ATOM 724 CA LEU A 45 5.881 -3.432 10.485 1.00 1.00 C ATOM 725 C LEU A 45 5.778 -2.564 11.732 1.00 1.00 C ATOM 726 O LEU A 45 4.827 -2.751 12.488 1.00 1.00 O ATOM 727 CB LEU A 45 6.620 -4.743 10.804 1.00 1.00 C ATOM 728 CG LEU A 45 6.231 -5.951 9.933 1.00 1.00 C ATOM 729 CD1 LEU A 45 6.761 -5.888 8.504 1.00 1.00 C ATOM 730 CD2 LEU A 45 6.799 -7.215 10.581 1.00 1.00 C ATOM 0 H LEU A 45 7.368 -2.983 9.068 1.00 1.00 H new ATOM 0 HA LEU A 45 4.880 -3.720 10.164 1.00 1.00 H new ATOM 0 HB2 LEU A 45 7.691 -4.571 10.699 1.00 1.00 H new ATOM 0 HB3 LEU A 45 6.439 -4.997 11.848 1.00 1.00 H new ATOM 0 HG LEU A 45 5.143 -5.951 9.874 1.00 1.00 H new ATOM 0 HD11 LEU A 45 6.442 -6.776 7.958 1.00 1.00 H new ATOM 0 HD12 LEU A 45 6.370 -4.999 8.010 1.00 1.00 H new ATOM 0 HD13 LEU A 45 7.850 -5.844 8.521 1.00 1.00 H new ATOM 0 HD21 LEU A 45 6.534 -8.084 9.978 1.00 1.00 H new ATOM 0 HD22 LEU A 45 7.884 -7.135 10.645 1.00 1.00 H new ATOM 0 HD23 LEU A 45 6.384 -7.328 11.583 1.00 1.00 H new ATOM 742 N SER A 46 6.735 -1.670 12.007 1.00 1.00 N ATOM 743 CA SER A 46 6.589 -0.754 13.130 1.00 1.00 C ATOM 744 C SER A 46 5.499 0.295 12.856 1.00 1.00 C ATOM 745 O SER A 46 5.001 0.914 13.799 1.00 1.00 O ATOM 746 CB SER A 46 7.949 -0.177 13.528 1.00 1.00 C ATOM 747 OG SER A 46 8.774 0.107 12.420 1.00 1.00 O ATOM 0 H SER A 46 7.600 -1.566 11.476 1.00 1.00 H new ATOM 0 HA SER A 46 6.234 -1.300 14.004 1.00 1.00 H new ATOM 0 HB2 SER A 46 7.796 0.736 14.103 1.00 1.00 H new ATOM 0 HB3 SER A 46 8.460 -0.884 14.182 1.00 1.00 H new ATOM 0 HG SER A 46 8.216 0.314 11.641 1.00 1.00 H new ATOM 753 N MET A 47 5.144 0.551 11.596 1.00 1.00 N ATOM 754 CA MET A 47 4.051 1.429 11.201 1.00 1.00 C ATOM 755 C MET A 47 2.744 0.620 11.178 1.00 1.00 C ATOM 756 O MET A 47 2.751 -0.611 11.159 1.00 1.00 O ATOM 757 CB MET A 47 4.337 1.981 9.798 1.00 1.00 C ATOM 758 CG MET A 47 5.483 2.999 9.757 1.00 1.00 C ATOM 759 SD MET A 47 6.175 3.279 8.099 1.00 1.00 S ATOM 760 CE MET A 47 4.683 3.750 7.190 1.00 1.00 C ATOM 0 H MET A 47 5.628 0.137 10.799 1.00 1.00 H new ATOM 0 HA MET A 47 3.958 2.254 11.907 1.00 1.00 H new ATOM 0 HB2 MET A 47 4.576 1.151 9.133 1.00 1.00 H new ATOM 0 HB3 MET A 47 3.433 2.450 9.410 1.00 1.00 H new ATOM 0 HG2 MET A 47 5.124 3.949 10.153 1.00 1.00 H new ATOM 0 HG3 MET A 47 6.280 2.658 10.418 1.00 1.00 H new ATOM 0 HE1 MET A 47 4.959 4.108 6.198 1.00 1.00 H new ATOM 0 HE2 MET A 47 4.027 2.885 7.094 1.00 1.00 H new ATOM 0 HE3 MET A 47 4.163 4.541 7.730 1.00 1.00 H new ATOM 770 N ASP A 48 1.611 1.316 11.126 1.00 1.00 N ATOM 771 CA ASP A 48 0.271 0.747 10.988 1.00 1.00 C ATOM 772 C ASP A 48 -0.392 1.333 9.754 1.00 1.00 C ATOM 773 O ASP A 48 0.262 1.926 8.898 1.00 1.00 O ATOM 774 CB ASP A 48 -0.602 1.012 12.220 1.00 1.00 C ATOM 775 CG ASP A 48 -1.208 2.419 12.257 1.00 1.00 C ATOM 776 OD1 ASP A 48 -0.443 3.409 12.231 1.00 1.00 O ATOM 777 OD2 ASP A 48 -2.452 2.521 12.296 1.00 1.00 O ATOM 0 H ASP A 48 1.600 2.334 11.181 1.00 1.00 H new ATOM 0 HA ASP A 48 0.373 -0.334 10.891 1.00 1.00 H new ATOM 0 HB2 ASP A 48 -1.408 0.279 12.247 1.00 1.00 H new ATOM 0 HB3 ASP A 48 -0.003 0.861 13.118 1.00 1.00 H new ATOM 782 N ALA A 49 -1.705 1.155 9.676 1.00 1.00 N ATOM 783 CA ALA A 49 -2.535 1.700 8.624 1.00 1.00 C ATOM 784 C ALA A 49 -2.473 3.228 8.559 1.00 1.00 C ATOM 785 O ALA A 49 -2.348 3.766 7.458 1.00 1.00 O ATOM 786 CB ALA A 49 -3.981 1.241 8.862 1.00 1.00 C ATOM 0 H ALA A 49 -2.229 0.613 10.363 1.00 1.00 H new ATOM 0 HA ALA A 49 -2.162 1.333 7.668 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -4.624 1.642 8.078 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -4.025 0.152 8.845 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -4.323 1.603 9.832 1.00 1.00 H new ATOM 792 N LEU A 50 -2.576 3.934 9.690 1.00 1.00 N ATOM 793 CA LEU A 50 -2.596 5.395 9.703 1.00 1.00 C ATOM 794 C LEU A 50 -1.222 5.951 9.349 1.00 1.00 C ATOM 795 O LEU A 50 -1.114 6.821 8.479 1.00 1.00 O ATOM 796 CB LEU A 50 -3.075 5.921 11.062 1.00 1.00 C ATOM 797 CG LEU A 50 -3.348 7.438 11.044 1.00 1.00 C ATOM 798 CD1 LEU A 50 -4.663 7.744 10.323 1.00 1.00 C ATOM 799 CD2 LEU A 50 -3.423 7.997 12.466 1.00 1.00 C ATOM 0 H LEU A 50 -2.647 3.509 10.615 1.00 1.00 H new ATOM 0 HA LEU A 50 -3.303 5.737 8.947 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.984 5.395 11.352 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -2.323 5.699 11.819 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.522 7.911 10.513 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -4.836 8.820 10.322 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -4.607 7.385 9.295 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -5.485 7.245 10.837 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -3.616 9.069 12.426 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -4.229 7.503 13.009 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -2.477 7.818 12.978 1.00 1.00 H new ATOM 811 N ASP A 51 -0.180 5.439 10.015 1.00 1.00 N ATOM 812 CA ASP A 51 1.195 5.809 9.698 1.00 1.00 C ATOM 813 C ASP A 51 1.498 5.511 8.241 1.00 1.00 C ATOM 814 O ASP A 51 2.087 6.360 7.576 1.00 1.00 O ATOM 815 CB ASP A 51 2.245 5.138 10.600 1.00 1.00 C ATOM 816 CG ASP A 51 2.447 5.829 11.949 1.00 1.00 C ATOM 817 OD1 ASP A 51 2.855 7.015 11.966 1.00 1.00 O ATOM 818 OD2 ASP A 51 2.298 5.171 13.004 1.00 1.00 O ATOM 0 H ASP A 51 -0.268 4.767 10.777 1.00 1.00 H new ATOM 0 HA ASP A 51 1.268 6.880 9.887 1.00 1.00 H new ATOM 0 HB2 ASP A 51 1.949 4.104 10.775 1.00 1.00 H new ATOM 0 HB3 ASP A 51 3.198 5.112 10.072 1.00 1.00 H new ATOM 823 N LEU A 52 1.096 4.344 7.715 1.00 1.00 N ATOM 824 CA LEU A 52 1.302 4.071 6.306 1.00 1.00 C ATOM 825 C LEU A 52 0.548 5.078 5.472 1.00 1.00 C ATOM 826 O LEU A 52 1.193 5.668 4.628 1.00 1.00 O ATOM 827 CB LEU A 52 0.907 2.640 5.910 1.00 1.00 C ATOM 828 CG LEU A 52 0.952 2.433 4.370 1.00 1.00 C ATOM 829 CD1 LEU A 52 1.967 1.369 3.954 1.00 1.00 C ATOM 830 CD2 LEU A 52 -0.434 2.094 3.821 1.00 1.00 C ATOM 0 H LEU A 52 0.638 3.598 8.238 1.00 1.00 H new ATOM 0 HA LEU A 52 2.371 4.161 6.114 1.00 1.00 H new ATOM 0 HB2 LEU A 52 1.580 1.931 6.392 1.00 1.00 H new ATOM 0 HB3 LEU A 52 -0.097 2.426 6.276 1.00 1.00 H new ATOM 0 HG LEU A 52 1.279 3.378 3.937 1.00 1.00 H new ATOM 0 HD11 LEU A 52 1.959 1.263 2.869 1.00 1.00 H new ATOM 0 HD12 LEU A 52 2.963 1.668 4.282 1.00 1.00 H new ATOM 0 HD13 LEU A 52 1.704 0.416 4.414 1.00 1.00 H new ATOM 0 HD21 LEU A 52 -0.374 1.954 2.742 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -0.795 1.177 4.286 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -1.123 2.909 4.043 1.00 1.00 H new ATOM 842 N THR A 53 -0.755 5.269 5.648 1.00 1.00 N ATOM 843 CA THR A 53 -1.536 6.151 4.794 1.00 1.00 C ATOM 844 C THR A 53 -0.838 7.495 4.628 1.00 1.00 C ATOM 845 O THR A 53 -0.563 7.918 3.500 1.00 1.00 O ATOM 846 CB THR A 53 -2.947 6.291 5.379 1.00 1.00 C ATOM 847 OG1 THR A 53 -3.548 5.015 5.390 1.00 1.00 O ATOM 848 CG2 THR A 53 -3.813 7.254 4.565 1.00 1.00 C ATOM 0 H THR A 53 -1.297 4.817 6.385 1.00 1.00 H new ATOM 0 HA THR A 53 -1.623 5.724 3.795 1.00 1.00 H new ATOM 0 HB THR A 53 -2.867 6.699 6.387 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.329 4.557 6.228 1.00 1.00 H new ATOM 0 HG21 THR A 53 -4.803 7.322 5.016 1.00 1.00 H new ATOM 0 HG22 THR A 53 -3.350 8.241 4.556 1.00 1.00 H new ATOM 0 HG23 THR A 53 -3.904 6.886 3.543 1.00 1.00 H new ATOM 856 N ASP A 54 -0.506 8.140 5.744 1.00 1.00 N ATOM 857 CA ASP A 54 0.122 9.449 5.661 1.00 1.00 C ATOM 858 C ASP A 54 1.499 9.358 5.033 1.00 1.00 C ATOM 859 O ASP A 54 1.797 10.158 4.146 1.00 1.00 O ATOM 860 CB ASP A 54 0.168 10.139 7.021 1.00 1.00 C ATOM 861 CG ASP A 54 -1.151 10.814 7.378 1.00 1.00 C ATOM 862 OD1 ASP A 54 -2.162 10.670 6.652 1.00 1.00 O ATOM 863 OD2 ASP A 54 -1.173 11.566 8.378 1.00 1.00 O ATOM 0 H ASP A 54 -0.657 7.788 6.689 1.00 1.00 H new ATOM 0 HA ASP A 54 -0.495 10.068 5.010 1.00 1.00 H new ATOM 0 HB2 ASP A 54 0.417 9.406 7.788 1.00 1.00 H new ATOM 0 HB3 ASP A 54 0.965 10.883 7.021 1.00 1.00 H new ATOM 868 N LYS A 55 2.331 8.393 5.434 1.00 1.00 N ATOM 869 CA LYS A 55 3.682 8.282 4.893 1.00 1.00 C ATOM 870 C LYS A 55 3.606 8.015 3.396 1.00 1.00 C ATOM 871 O LYS A 55 4.207 8.725 2.611 1.00 1.00 O ATOM 872 CB LYS A 55 4.475 7.176 5.610 1.00 1.00 C ATOM 873 CG LYS A 55 5.988 7.416 5.431 1.00 1.00 C ATOM 874 CD LYS A 55 6.877 6.602 6.389 1.00 1.00 C ATOM 875 CE LYS A 55 6.519 6.785 7.872 1.00 1.00 C ATOM 876 NZ LYS A 55 6.573 8.194 8.310 1.00 1.00 N ATOM 0 H LYS A 55 2.092 7.683 6.127 1.00 1.00 H new ATOM 0 HA LYS A 55 4.210 9.221 5.061 1.00 1.00 H new ATOM 0 HB2 LYS A 55 4.223 7.164 6.670 1.00 1.00 H new ATOM 0 HB3 LYS A 55 4.202 6.201 5.207 1.00 1.00 H new ATOM 0 HG2 LYS A 55 6.263 7.174 4.405 1.00 1.00 H new ATOM 0 HG3 LYS A 55 6.195 8.476 5.575 1.00 1.00 H new ATOM 0 HD2 LYS A 55 6.798 5.545 6.133 1.00 1.00 H new ATOM 0 HD3 LYS A 55 7.917 6.890 6.238 1.00 1.00 H new ATOM 0 HE2 LYS A 55 5.517 6.394 8.049 1.00 1.00 H new ATOM 0 HE3 LYS A 55 7.204 6.195 8.481 1.00 1.00 H new ATOM 0 HZ1 LYS A 55 6.355 8.250 9.325 1.00 1.00 H new ATOM 0 HZ2 LYS A 55 7.525 8.575 8.138 1.00 1.00 H new ATOM 0 HZ3 LYS A 55 5.876 8.751 7.775 1.00 1.00 H new ATOM 890 N LEU A 56 2.859 6.999 2.991 1.00 1.00 N ATOM 891 CA LEU A 56 2.709 6.490 1.640 1.00 1.00 C ATOM 892 C LEU A 56 2.093 7.553 0.726 1.00 1.00 C ATOM 893 O LEU A 56 2.355 7.540 -0.471 1.00 1.00 O ATOM 894 CB LEU A 56 1.922 5.174 1.771 1.00 1.00 C ATOM 895 CG LEU A 56 1.831 4.198 0.597 1.00 1.00 C ATOM 896 CD1 LEU A 56 0.701 4.567 -0.346 1.00 1.00 C ATOM 897 CD2 LEU A 56 3.138 4.016 -0.170 1.00 1.00 C ATOM 0 H LEU A 56 2.297 6.467 3.655 1.00 1.00 H new ATOM 0 HA LEU A 56 3.657 6.268 1.150 1.00 1.00 H new ATOM 0 HB2 LEU A 56 2.350 4.627 2.611 1.00 1.00 H new ATOM 0 HB3 LEU A 56 0.901 5.437 2.049 1.00 1.00 H new ATOM 0 HG LEU A 56 1.614 3.230 1.049 1.00 1.00 H new ATOM 0 HD11 LEU A 56 0.665 3.853 -1.168 1.00 1.00 H new ATOM 0 HD12 LEU A 56 -0.245 4.546 0.194 1.00 1.00 H new ATOM 0 HD13 LEU A 56 0.870 5.568 -0.742 1.00 1.00 H new ATOM 0 HD21 LEU A 56 2.986 3.309 -0.985 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.458 4.975 -0.577 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.905 3.634 0.504 1.00 1.00 H new ATOM 909 N VAL A 57 1.312 8.500 1.248 1.00 1.00 N ATOM 910 CA VAL A 57 0.803 9.605 0.438 1.00 1.00 C ATOM 911 C VAL A 57 1.872 10.708 0.380 1.00 1.00 C ATOM 912 O VAL A 57 2.220 11.188 -0.700 1.00 1.00 O ATOM 913 CB VAL A 57 -0.550 10.060 1.011 1.00 1.00 C ATOM 914 CG1 VAL A 57 -0.989 11.426 0.467 1.00 1.00 C ATOM 915 CG2 VAL A 57 -1.608 8.997 0.667 1.00 1.00 C ATOM 0 H VAL A 57 1.020 8.523 2.225 1.00 1.00 H new ATOM 0 HA VAL A 57 0.613 9.307 -0.593 1.00 1.00 H new ATOM 0 HB VAL A 57 -0.443 10.169 2.090 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -1.950 11.700 0.903 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -0.244 12.178 0.728 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.085 11.372 -0.617 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.575 9.304 1.066 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.679 8.892 -0.416 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.320 8.042 1.106 1.00 1.00 H new ATOM 925 N SER A 58 2.413 11.120 1.525 1.00 1.00 N ATOM 926 CA SER A 58 3.365 12.214 1.677 1.00 1.00 C ATOM 927 C SER A 58 4.659 11.943 0.894 1.00 1.00 C ATOM 928 O SER A 58 5.113 12.783 0.114 1.00 1.00 O ATOM 929 CB SER A 58 3.602 12.348 3.189 1.00 1.00 C ATOM 930 OG SER A 58 4.412 13.431 3.588 1.00 1.00 O ATOM 0 H SER A 58 2.187 10.676 2.415 1.00 1.00 H new ATOM 0 HA SER A 58 2.983 13.148 1.265 1.00 1.00 H new ATOM 0 HB2 SER A 58 2.635 12.441 3.683 1.00 1.00 H new ATOM 0 HB3 SER A 58 4.057 11.426 3.550 1.00 1.00 H new ATOM 0 HG SER A 58 4.501 13.431 4.564 1.00 1.00 H new ATOM 936 N PHE A 59 5.233 10.760 1.080 1.00 1.00 N ATOM 937 CA PHE A 59 6.506 10.281 0.551 1.00 1.00 C ATOM 938 C PHE A 59 6.409 9.915 -0.936 1.00 1.00 C ATOM 939 O PHE A 59 7.427 9.594 -1.552 1.00 1.00 O ATOM 940 CB PHE A 59 6.880 9.068 1.417 1.00 1.00 C ATOM 941 CG PHE A 59 8.319 8.601 1.501 1.00 1.00 C ATOM 942 CD1 PHE A 59 9.256 9.373 2.216 1.00 1.00 C ATOM 943 CD2 PHE A 59 8.669 7.305 1.081 1.00 1.00 C ATOM 944 CE1 PHE A 59 10.525 8.848 2.510 1.00 1.00 C ATOM 945 CE2 PHE A 59 9.927 6.769 1.405 1.00 1.00 C ATOM 946 CZ PHE A 59 10.854 7.538 2.126 1.00 1.00 C ATOM 0 H PHE A 59 4.781 10.049 1.655 1.00 1.00 H new ATOM 0 HA PHE A 59 7.272 11.055 0.599 1.00 1.00 H new ATOM 0 HB2 PHE A 59 6.551 9.284 2.434 1.00 1.00 H new ATOM 0 HB3 PHE A 59 6.287 8.224 1.063 1.00 1.00 H new ATOM 0 HD1 PHE A 59 8.998 10.371 2.539 1.00 1.00 H new ATOM 0 HD2 PHE A 59 7.967 6.719 0.506 1.00 1.00 H new ATOM 0 HE1 PHE A 59 11.250 9.454 3.033 1.00 1.00 H new ATOM 0 HE2 PHE A 59 10.181 5.765 1.099 1.00 1.00 H new ATOM 0 HZ PHE A 59 11.817 7.123 2.385 1.00 1.00 H new ATOM 956 N TYR A 60 5.197 9.951 -1.508 1.00 1.00 N ATOM 957 CA TYR A 60 4.961 9.724 -2.927 1.00 1.00 C ATOM 958 C TYR A 60 4.103 10.877 -3.462 1.00 1.00 C ATOM 959 O TYR A 60 4.655 11.951 -3.695 1.00 1.00 O ATOM 960 CB TYR A 60 4.319 8.331 -3.126 1.00 1.00 C ATOM 961 CG TYR A 60 5.145 7.153 -2.638 1.00 1.00 C ATOM 962 CD1 TYR A 60 5.228 6.864 -1.263 1.00 1.00 C ATOM 963 CD2 TYR A 60 5.812 6.322 -3.554 1.00 1.00 C ATOM 964 CE1 TYR A 60 5.954 5.760 -0.799 1.00 1.00 C ATOM 965 CE2 TYR A 60 6.578 5.239 -3.096 1.00 1.00 C ATOM 966 CZ TYR A 60 6.648 4.949 -1.714 1.00 1.00 C ATOM 967 OH TYR A 60 7.399 3.913 -1.261 1.00 1.00 O ATOM 0 H TYR A 60 4.344 10.142 -0.982 1.00 1.00 H new ATOM 0 HA TYR A 60 5.891 9.716 -3.496 1.00 1.00 H new ATOM 0 HB2 TYR A 60 3.358 8.316 -2.611 1.00 1.00 H new ATOM 0 HB3 TYR A 60 4.114 8.193 -4.188 1.00 1.00 H new ATOM 0 HD1 TYR A 60 4.724 7.504 -0.554 1.00 1.00 H new ATOM 0 HD2 TYR A 60 5.735 6.517 -4.613 1.00 1.00 H new ATOM 0 HE1 TYR A 60 5.981 5.533 0.256 1.00 1.00 H new ATOM 0 HE2 TYR A 60 7.116 4.624 -3.802 1.00 1.00 H new ATOM 0 HH TYR A 60 8.186 3.804 -1.835 1.00 1.00 H new ATOM 977 N LEU A 61 2.783 10.686 -3.551 1.00 1.00 N ATOM 978 CA LEU A 61 1.662 11.563 -3.919 1.00 1.00 C ATOM 979 C LEU A 61 0.384 10.848 -3.467 1.00 1.00 C ATOM 980 O LEU A 61 0.426 9.656 -3.175 1.00 1.00 O ATOM 981 CB LEU A 61 1.511 11.803 -5.439 1.00 1.00 C ATOM 982 CG LEU A 61 2.361 12.849 -6.178 1.00 1.00 C ATOM 983 CD1 LEU A 61 2.604 14.108 -5.348 1.00 1.00 C ATOM 984 CD2 LEU A 61 3.650 12.307 -6.786 1.00 1.00 C ATOM 0 H LEU A 61 2.418 9.760 -3.330 1.00 1.00 H new ATOM 0 HA LEU A 61 1.842 12.531 -3.452 1.00 1.00 H new ATOM 0 HB2 LEU A 61 1.690 10.846 -5.930 1.00 1.00 H new ATOM 0 HB3 LEU A 61 0.467 12.062 -5.616 1.00 1.00 H new ATOM 0 HG LEU A 61 1.746 13.137 -7.030 1.00 1.00 H new ATOM 0 HD11 LEU A 61 3.210 14.810 -5.921 1.00 1.00 H new ATOM 0 HD12 LEU A 61 1.649 14.571 -5.100 1.00 1.00 H new ATOM 0 HD13 LEU A 61 3.128 13.843 -4.429 1.00 1.00 H new ATOM 0 HD21 LEU A 61 4.184 13.115 -7.287 1.00 1.00 H new ATOM 0 HD22 LEU A 61 4.277 11.891 -5.998 1.00 1.00 H new ATOM 0 HD23 LEU A 61 3.411 11.527 -7.509 1.00 1.00 H new ATOM 996 N GLU A 62 -0.768 11.524 -3.491 1.00 1.00 N ATOM 997 CA GLU A 62 -2.060 10.914 -3.196 1.00 1.00 C ATOM 998 C GLU A 62 -2.358 9.791 -4.185 1.00 1.00 C ATOM 999 O GLU A 62 -2.490 8.627 -3.809 1.00 1.00 O ATOM 1000 CB GLU A 62 -3.202 11.941 -3.313 1.00 1.00 C ATOM 1001 CG GLU A 62 -3.261 12.970 -2.189 1.00 1.00 C ATOM 1002 CD GLU A 62 -2.519 14.266 -2.513 1.00 1.00 C ATOM 1003 OE1 GLU A 62 -1.563 14.279 -3.323 1.00 1.00 O ATOM 1004 OE2 GLU A 62 -2.940 15.303 -1.952 1.00 1.00 O ATOM 0 H GLU A 62 -0.827 12.517 -3.718 1.00 1.00 H new ATOM 0 HA GLU A 62 -2.004 10.530 -2.177 1.00 1.00 H new ATOM 0 HB2 GLU A 62 -3.101 12.467 -4.262 1.00 1.00 H new ATOM 0 HB3 GLU A 62 -4.151 11.405 -3.345 1.00 1.00 H new ATOM 0 HG2 GLU A 62 -4.304 13.202 -1.973 1.00 1.00 H new ATOM 0 HG3 GLU A 62 -2.837 12.534 -1.284 1.00 1.00 H new ATOM 1011 N THR A 63 -2.453 10.148 -5.463 1.00 1.00 N ATOM 1012 CA THR A 63 -2.848 9.228 -6.510 1.00 1.00 C ATOM 1013 C THR A 63 -1.779 8.154 -6.713 1.00 1.00 C ATOM 1014 O THR A 63 -2.127 6.985 -6.869 1.00 1.00 O ATOM 1015 CB THR A 63 -3.121 10.031 -7.790 1.00 1.00 C ATOM 1016 OG1 THR A 63 -3.761 11.257 -7.468 1.00 1.00 O ATOM 1017 CG2 THR A 63 -4.074 9.262 -8.705 1.00 1.00 C ATOM 0 H THR A 63 -2.255 11.091 -5.797 1.00 1.00 H new ATOM 0 HA THR A 63 -3.762 8.704 -6.230 1.00 1.00 H new ATOM 0 HB THR A 63 -2.164 10.205 -8.283 1.00 1.00 H new ATOM 0 HG1 THR A 63 -3.930 11.764 -8.290 1.00 1.00 H new ATOM 0 HG21 THR A 63 -4.259 9.843 -9.609 1.00 1.00 H new ATOM 0 HG22 THR A 63 -3.627 8.305 -8.974 1.00 1.00 H new ATOM 0 HG23 THR A 63 -5.017 9.089 -8.186 1.00 1.00 H new ATOM 1025 N TYR A 64 -0.488 8.516 -6.658 1.00 1.00 N ATOM 1026 CA TYR A 64 0.586 7.530 -6.741 1.00 1.00 C ATOM 1027 C TYR A 64 0.585 6.627 -5.505 1.00 1.00 C ATOM 1028 O TYR A 64 0.956 5.464 -5.602 1.00 1.00 O ATOM 1029 CB TYR A 64 1.956 8.195 -6.913 1.00 1.00 C ATOM 1030 CG TYR A 64 3.012 7.257 -7.475 1.00 1.00 C ATOM 1031 CD1 TYR A 64 3.713 6.364 -6.638 1.00 1.00 C ATOM 1032 CD2 TYR A 64 3.286 7.267 -8.855 1.00 1.00 C ATOM 1033 CE1 TYR A 64 4.694 5.508 -7.171 1.00 1.00 C ATOM 1034 CE2 TYR A 64 4.277 6.433 -9.392 1.00 1.00 C ATOM 1035 CZ TYR A 64 4.998 5.558 -8.551 1.00 1.00 C ATOM 1036 OH TYR A 64 5.940 4.735 -9.091 1.00 1.00 O ATOM 0 H TYR A 64 -0.170 9.480 -6.557 1.00 1.00 H new ATOM 0 HA TYR A 64 0.400 6.920 -7.625 1.00 1.00 H new ATOM 0 HB2 TYR A 64 1.854 9.055 -7.575 1.00 1.00 H new ATOM 0 HB3 TYR A 64 2.292 8.573 -5.948 1.00 1.00 H new ATOM 0 HD1 TYR A 64 3.495 6.337 -5.581 1.00 1.00 H new ATOM 0 HD2 TYR A 64 2.728 7.923 -9.507 1.00 1.00 H new ATOM 0 HE1 TYR A 64 5.214 4.814 -6.527 1.00 1.00 H new ATOM 0 HE2 TYR A 64 4.489 6.460 -10.451 1.00 1.00 H new ATOM 0 HH TYR A 64 6.014 4.909 -10.053 1.00 1.00 H new ATOM 1046 N GLY A 65 0.152 7.125 -4.349 1.00 1.00 N ATOM 1047 CA GLY A 65 0.025 6.328 -3.146 1.00 1.00 C ATOM 1048 C GLY A 65 -1.077 5.285 -3.324 1.00 1.00 C ATOM 1049 O GLY A 65 -0.877 4.105 -3.032 1.00 1.00 O ATOM 0 H GLY A 65 -0.121 8.100 -4.227 1.00 1.00 H new ATOM 0 HA2 GLY A 65 0.972 5.835 -2.925 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -0.205 6.971 -2.297 1.00 1.00 H new ATOM 1053 N ALA A 66 -2.236 5.692 -3.852 1.00 1.00 N ATOM 1054 CA ALA A 66 -3.329 4.769 -4.133 1.00 1.00 C ATOM 1055 C ALA A 66 -2.909 3.756 -5.201 1.00 1.00 C ATOM 1056 O ALA A 66 -3.191 2.569 -5.065 1.00 1.00 O ATOM 1057 CB ALA A 66 -4.579 5.546 -4.552 1.00 1.00 C ATOM 0 H ALA A 66 -2.437 6.662 -4.093 1.00 1.00 H new ATOM 0 HA ALA A 66 -3.570 4.212 -3.228 1.00 1.00 H new ATOM 0 HB1 ALA A 66 -5.389 4.847 -4.760 1.00 1.00 H new ATOM 0 HB2 ALA A 66 -4.877 6.218 -3.747 1.00 1.00 H new ATOM 0 HB3 ALA A 66 -4.363 6.127 -5.448 1.00 1.00 H new ATOM 1063 N GLU A 67 -2.197 4.219 -6.230 1.00 1.00 N ATOM 1064 CA GLU A 67 -1.625 3.402 -7.293 1.00 1.00 C ATOM 1065 C GLU A 67 -0.705 2.339 -6.699 1.00 1.00 C ATOM 1066 O GLU A 67 -0.875 1.157 -6.974 1.00 1.00 O ATOM 1067 CB GLU A 67 -0.832 4.288 -8.270 1.00 1.00 C ATOM 1068 CG GLU A 67 -0.324 3.531 -9.499 1.00 1.00 C ATOM 1069 CD GLU A 67 -1.354 3.558 -10.616 1.00 1.00 C ATOM 1070 OE1 GLU A 67 -2.445 2.959 -10.469 1.00 1.00 O ATOM 1071 OE2 GLU A 67 -1.092 4.195 -11.659 1.00 1.00 O ATOM 0 H GLU A 67 -1.997 5.212 -6.347 1.00 1.00 H new ATOM 0 HA GLU A 67 -2.435 2.911 -7.833 1.00 1.00 H new ATOM 0 HB2 GLU A 67 -1.465 5.113 -8.596 1.00 1.00 H new ATOM 0 HB3 GLU A 67 0.017 4.726 -7.745 1.00 1.00 H new ATOM 0 HG2 GLU A 67 0.607 3.978 -9.847 1.00 1.00 H new ATOM 0 HG3 GLU A 67 -0.101 2.499 -9.229 1.00 1.00 H new ATOM 1078 N LEU A 68 0.276 2.761 -5.898 1.00 1.00 N ATOM 1079 CA LEU A 68 1.239 1.896 -5.243 1.00 1.00 C ATOM 1080 C LEU A 68 0.489 0.862 -4.417 1.00 1.00 C ATOM 1081 O LEU A 68 0.733 -0.328 -4.572 1.00 1.00 O ATOM 1082 CB LEU A 68 2.195 2.743 -4.380 1.00 1.00 C ATOM 1083 CG LEU A 68 3.244 1.888 -3.656 1.00 1.00 C ATOM 1084 CD1 LEU A 68 4.448 2.751 -3.270 1.00 1.00 C ATOM 1085 CD2 LEU A 68 2.671 1.237 -2.398 1.00 1.00 C ATOM 0 H LEU A 68 0.420 3.748 -5.685 1.00 1.00 H new ATOM 0 HA LEU A 68 1.846 1.369 -5.979 1.00 1.00 H new ATOM 0 HB2 LEU A 68 2.700 3.474 -5.012 1.00 1.00 H new ATOM 0 HB3 LEU A 68 1.617 3.303 -3.645 1.00 1.00 H new ATOM 0 HG LEU A 68 3.553 1.099 -4.342 1.00 1.00 H new ATOM 0 HD11 LEU A 68 5.187 2.136 -2.757 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.893 3.178 -4.169 1.00 1.00 H new ATOM 0 HD13 LEU A 68 4.123 3.554 -2.609 1.00 1.00 H new ATOM 0 HD21 LEU A 68 3.443 0.640 -1.913 1.00 1.00 H new ATOM 0 HD22 LEU A 68 2.327 2.011 -1.712 1.00 1.00 H new ATOM 0 HD23 LEU A 68 1.833 0.595 -2.670 1.00 1.00 H new ATOM 1097 N THR A 69 -0.410 1.306 -3.545 1.00 1.00 N ATOM 1098 CA THR A 69 -1.174 0.437 -2.665 1.00 1.00 C ATOM 1099 C THR A 69 -1.888 -0.627 -3.509 1.00 1.00 C ATOM 1100 O THR A 69 -1.655 -1.816 -3.298 1.00 1.00 O ATOM 1101 CB THR A 69 -2.101 1.304 -1.800 1.00 1.00 C ATOM 1102 OG1 THR A 69 -1.331 2.224 -1.063 1.00 1.00 O ATOM 1103 CG2 THR A 69 -2.932 0.509 -0.789 1.00 1.00 C ATOM 0 H THR A 69 -0.630 2.295 -3.430 1.00 1.00 H new ATOM 0 HA THR A 69 -0.538 -0.112 -1.971 1.00 1.00 H new ATOM 0 HB THR A 69 -2.784 1.788 -2.498 1.00 1.00 H new ATOM 0 HG1 THR A 69 -1.174 3.026 -1.604 1.00 1.00 H new ATOM 0 HG21 THR A 69 -3.560 1.192 -0.217 1.00 1.00 H new ATOM 0 HG22 THR A 69 -3.562 -0.206 -1.318 1.00 1.00 H new ATOM 0 HG23 THR A 69 -2.266 -0.025 -0.111 1.00 1.00 H new ATOM 1111 N ALA A 70 -2.677 -0.231 -4.512 1.00 1.00 N ATOM 1112 CA ALA A 70 -3.345 -1.155 -5.423 1.00 1.00 C ATOM 1113 C ALA A 70 -2.332 -2.069 -6.134 1.00 1.00 C ATOM 1114 O ALA A 70 -2.642 -3.233 -6.361 1.00 1.00 O ATOM 1115 CB ALA A 70 -4.098 -0.341 -6.491 1.00 1.00 C ATOM 0 H ALA A 70 -2.870 0.750 -4.713 1.00 1.00 H new ATOM 0 HA ALA A 70 -4.029 -1.774 -4.843 1.00 1.00 H new ATOM 0 HB1 ALA A 70 -4.602 -1.021 -7.178 1.00 1.00 H new ATOM 0 HB2 ALA A 70 -4.836 0.299 -6.007 1.00 1.00 H new ATOM 0 HB3 ALA A 70 -3.390 0.276 -7.044 1.00 1.00 H new ATOM 1121 N ASN A 71 -1.138 -1.585 -6.491 1.00 1.00 N ATOM 1122 CA ASN A 71 -0.089 -2.376 -7.141 1.00 1.00 C ATOM 1123 C ASN A 71 0.325 -3.524 -6.243 1.00 1.00 C ATOM 1124 O ASN A 71 0.388 -4.663 -6.690 1.00 1.00 O ATOM 1125 CB ASN A 71 1.164 -1.532 -7.435 1.00 1.00 C ATOM 1126 CG ASN A 71 2.116 -2.168 -8.441 1.00 1.00 C ATOM 1127 OD1 ASN A 71 2.537 -3.410 -8.268 1.00 1.00 O flip ATOM 1128 ND2 ASN A 71 2.512 -1.523 -9.409 1.00 1.00 N flip ATOM 0 H ASN A 71 -0.869 -0.614 -6.333 1.00 1.00 H new ATOM 0 HA ASN A 71 -0.502 -2.743 -8.080 1.00 1.00 H new ATOM 0 HB2 ASN A 71 0.853 -0.557 -7.810 1.00 1.00 H new ATOM 0 HB3 ASN A 71 1.700 -1.358 -6.502 1.00 1.00 H new ATOM 0 HD21 ASN A 71 2.192 -0.565 -9.549 1.00 1.00 H new ATOM 0 HD22 ASN A 71 3.161 -1.946 -10.073 1.00 1.00 H new ATOM 1135 N VAL A 72 0.692 -3.202 -5.007 1.00 1.00 N ATOM 1136 CA VAL A 72 1.104 -4.176 -3.999 1.00 1.00 C ATOM 1137 C VAL A 72 -0.034 -5.188 -3.800 1.00 1.00 C ATOM 1138 O VAL A 72 0.200 -6.393 -3.785 1.00 1.00 O ATOM 1139 CB VAL A 72 1.472 -3.450 -2.687 1.00 1.00 C ATOM 1140 CG1 VAL A 72 1.916 -4.428 -1.593 1.00 1.00 C ATOM 1141 CG2 VAL A 72 2.613 -2.427 -2.829 1.00 1.00 C ATOM 0 H VAL A 72 0.712 -2.239 -4.670 1.00 1.00 H new ATOM 0 HA VAL A 72 1.992 -4.717 -4.326 1.00 1.00 H new ATOM 0 HB VAL A 72 0.549 -2.934 -2.421 1.00 1.00 H new ATOM 0 HG11 VAL A 72 2.165 -3.873 -0.688 1.00 1.00 H new ATOM 0 HG12 VAL A 72 1.107 -5.126 -1.379 1.00 1.00 H new ATOM 0 HG13 VAL A 72 2.792 -4.981 -1.933 1.00 1.00 H new ATOM 0 HG21 VAL A 72 2.808 -1.963 -1.862 1.00 1.00 H new ATOM 0 HG22 VAL A 72 3.514 -2.933 -3.177 1.00 1.00 H new ATOM 0 HG23 VAL A 72 2.326 -1.660 -3.548 1.00 1.00 H new ATOM 1151 N LEU A 73 -1.271 -4.707 -3.684 1.00 1.00 N ATOM 1152 CA LEU A 73 -2.461 -5.528 -3.487 1.00 1.00 C ATOM 1153 C LEU A 73 -2.642 -6.486 -4.666 1.00 1.00 C ATOM 1154 O LEU A 73 -2.704 -7.699 -4.481 1.00 1.00 O ATOM 1155 CB LEU A 73 -3.661 -4.588 -3.253 1.00 1.00 C ATOM 1156 CG LEU A 73 -3.579 -3.864 -1.893 1.00 1.00 C ATOM 1157 CD1 LEU A 73 -4.602 -2.731 -1.868 1.00 1.00 C ATOM 1158 CD2 LEU A 73 -3.744 -4.746 -0.657 1.00 1.00 C ATOM 0 H LEU A 73 -1.477 -3.709 -3.726 1.00 1.00 H new ATOM 0 HA LEU A 73 -2.367 -6.165 -2.608 1.00 1.00 H new ATOM 0 HB2 LEU A 73 -3.703 -3.850 -4.054 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -4.586 -5.163 -3.301 1.00 1.00 H new ATOM 0 HG LEU A 73 -2.558 -3.490 -1.824 1.00 1.00 H new ATOM 0 HD11 LEU A 73 -4.550 -2.215 -0.909 1.00 1.00 H new ATOM 0 HD12 LEU A 73 -4.385 -2.027 -2.672 1.00 1.00 H new ATOM 0 HD13 LEU A 73 -5.603 -3.141 -2.005 1.00 1.00 H new ATOM 0 HD21 LEU A 73 -3.669 -4.132 0.241 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -4.720 -5.231 -0.684 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -2.962 -5.505 -0.644 1.00 1.00 H new ATOM 1170 N ARG A 74 -2.649 -5.982 -5.896 1.00 1.00 N ATOM 1171 CA ARG A 74 -2.725 -6.814 -7.094 1.00 1.00 C ATOM 1172 C ARG A 74 -1.527 -7.764 -7.200 1.00 1.00 C ATOM 1173 O ARG A 74 -1.698 -8.868 -7.716 1.00 1.00 O ATOM 1174 CB ARG A 74 -2.909 -5.911 -8.321 1.00 1.00 C ATOM 1175 CG ARG A 74 -3.332 -6.678 -9.587 1.00 1.00 C ATOM 1176 CD ARG A 74 -2.183 -6.986 -10.562 1.00 1.00 C ATOM 1177 NE ARG A 74 -1.525 -5.769 -11.074 1.00 1.00 N ATOM 1178 CZ ARG A 74 -2.055 -4.857 -11.899 1.00 1.00 C ATOM 1179 NH1 ARG A 74 -3.261 -5.025 -12.427 1.00 1.00 N ATOM 1180 NH2 ARG A 74 -1.373 -3.758 -12.198 1.00 1.00 N ATOM 0 H ARG A 74 -2.602 -4.982 -6.092 1.00 1.00 H new ATOM 0 HA ARG A 74 -3.594 -7.469 -7.035 1.00 1.00 H new ATOM 0 HB2 ARG A 74 -3.660 -5.154 -8.096 1.00 1.00 H new ATOM 0 HB3 ARG A 74 -1.975 -5.385 -8.519 1.00 1.00 H new ATOM 0 HG2 ARG A 74 -3.799 -7.616 -9.288 1.00 1.00 H new ATOM 0 HG3 ARG A 74 -4.091 -6.097 -10.112 1.00 1.00 H new ATOM 0 HD2 ARG A 74 -1.443 -7.609 -10.059 1.00 1.00 H new ATOM 0 HD3 ARG A 74 -2.570 -7.565 -11.401 1.00 1.00 H new ATOM 0 HE ARG A 74 -0.566 -5.605 -10.768 1.00 1.00 H new ATOM 0 HH11 ARG A 74 -3.802 -5.861 -12.207 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -3.647 -4.318 -13.053 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -0.446 -3.609 -11.799 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -1.776 -3.063 -12.826 1.00 1.00 H new ATOM 1194 N ASP A 75 -0.341 -7.393 -6.708 1.00 1.00 N ATOM 1195 CA ASP A 75 0.833 -8.273 -6.659 1.00 1.00 C ATOM 1196 C ASP A 75 0.539 -9.433 -5.699 1.00 1.00 C ATOM 1197 O ASP A 75 0.918 -10.573 -5.956 1.00 1.00 O ATOM 1198 CB ASP A 75 2.102 -7.490 -6.277 1.00 1.00 C ATOM 1199 CG ASP A 75 3.407 -8.294 -6.362 1.00 1.00 C ATOM 1200 OD1 ASP A 75 3.411 -9.450 -6.841 1.00 1.00 O ATOM 1201 OD2 ASP A 75 4.472 -7.735 -6.025 1.00 1.00 O ATOM 0 H ASP A 75 -0.166 -6.463 -6.328 1.00 1.00 H new ATOM 0 HA ASP A 75 1.029 -8.687 -7.648 1.00 1.00 H new ATOM 0 HB2 ASP A 75 2.185 -6.620 -6.929 1.00 1.00 H new ATOM 0 HB3 ASP A 75 1.988 -7.116 -5.260 1.00 1.00 H new ATOM 1206 N MET A 76 -0.181 -9.190 -4.597 1.00 1.00 N ATOM 1207 CA MET A 76 -0.630 -10.237 -3.673 1.00 1.00 C ATOM 1208 C MET A 76 -1.749 -11.081 -4.315 1.00 1.00 C ATOM 1209 O MET A 76 -2.187 -12.060 -3.717 1.00 1.00 O ATOM 1210 CB MET A 76 -1.143 -9.639 -2.345 1.00 1.00 C ATOM 1211 CG MET A 76 -0.090 -8.850 -1.563 1.00 1.00 C ATOM 1212 SD MET A 76 -0.784 -7.651 -0.392 1.00 1.00 S ATOM 1213 CE MET A 76 -1.370 -8.750 0.926 1.00 1.00 C ATOM 0 H MET A 76 -0.471 -8.252 -4.320 1.00 1.00 H new ATOM 0 HA MET A 76 0.231 -10.871 -3.460 1.00 1.00 H new ATOM 0 HB2 MET A 76 -1.988 -8.984 -2.557 1.00 1.00 H new ATOM 0 HB3 MET A 76 -1.516 -10.447 -1.716 1.00 1.00 H new ATOM 0 HG2 MET A 76 0.543 -9.550 -1.018 1.00 1.00 H new ATOM 0 HG3 MET A 76 0.552 -8.323 -2.269 1.00 1.00 H new ATOM 0 HE1 MET A 76 -2.062 -8.208 1.571 1.00 1.00 H new ATOM 0 HE2 MET A 76 -1.880 -9.607 0.485 1.00 1.00 H new ATOM 0 HE3 MET A 76 -0.521 -9.097 1.515 1.00 1.00 H new ATOM 1223 N GLY A 77 -2.217 -10.732 -5.518 1.00 1.00 N ATOM 1224 CA GLY A 77 -3.332 -11.362 -6.211 1.00 1.00 C ATOM 1225 C GLY A 77 -4.670 -10.724 -5.832 1.00 1.00 C ATOM 1226 O GLY A 77 -5.699 -11.074 -6.411 1.00 1.00 O ATOM 0 H GLY A 77 -1.806 -9.968 -6.054 1.00 1.00 H new ATOM 0 HA2 GLY A 77 -3.183 -11.281 -7.288 1.00 1.00 H new ATOM 0 HA3 GLY A 77 -3.355 -12.425 -5.971 1.00 1.00 H new ATOM 1230 N LEU A 78 -4.664 -9.771 -4.900 1.00 1.00 N ATOM 1231 CA LEU A 78 -5.817 -9.104 -4.316 1.00 1.00 C ATOM 1232 C LEU A 78 -6.264 -7.965 -5.253 1.00 1.00 C ATOM 1233 O LEU A 78 -6.138 -6.777 -4.939 1.00 1.00 O ATOM 1234 CB LEU A 78 -5.375 -8.632 -2.914 1.00 1.00 C ATOM 1235 CG LEU A 78 -6.466 -8.331 -1.869 1.00 1.00 C ATOM 1236 CD1 LEU A 78 -6.007 -7.140 -1.035 1.00 1.00 C ATOM 1237 CD2 LEU A 78 -7.841 -8.008 -2.438 1.00 1.00 C ATOM 0 H LEU A 78 -3.788 -9.424 -4.509 1.00 1.00 H new ATOM 0 HA LEU A 78 -6.687 -9.751 -4.204 1.00 1.00 H new ATOM 0 HB2 LEU A 78 -4.717 -9.395 -2.498 1.00 1.00 H new ATOM 0 HB3 LEU A 78 -4.777 -7.730 -3.040 1.00 1.00 H new ATOM 0 HG LEU A 78 -6.588 -9.246 -1.290 1.00 1.00 H new ATOM 0 HD11 LEU A 78 -6.764 -6.907 -0.286 1.00 1.00 H new ATOM 0 HD12 LEU A 78 -5.068 -7.384 -0.538 1.00 1.00 H new ATOM 0 HD13 LEU A 78 -5.860 -6.276 -1.684 1.00 1.00 H new ATOM 0 HD21 LEU A 78 -8.536 -7.812 -1.621 1.00 1.00 H new ATOM 0 HD22 LEU A 78 -7.773 -7.127 -3.076 1.00 1.00 H new ATOM 0 HD23 LEU A 78 -8.200 -8.854 -3.024 1.00 1.00 H new ATOM 1249 N GLN A 79 -6.739 -8.320 -6.449 1.00 1.00 N ATOM 1250 CA GLN A 79 -7.102 -7.347 -7.477 1.00 1.00 C ATOM 1251 C GLN A 79 -8.395 -6.594 -7.141 1.00 1.00 C ATOM 1252 O GLN A 79 -8.567 -5.458 -7.589 1.00 1.00 O ATOM 1253 CB GLN A 79 -7.151 -8.021 -8.862 1.00 1.00 C ATOM 1254 CG GLN A 79 -8.335 -8.976 -9.118 1.00 1.00 C ATOM 1255 CD GLN A 79 -9.669 -8.273 -9.393 1.00 1.00 C ATOM 1256 OE1 GLN A 79 -9.717 -7.162 -9.913 1.00 1.00 O ATOM 1257 NE2 GLN A 79 -10.781 -8.892 -9.040 1.00 1.00 N ATOM 0 H GLN A 79 -6.882 -9.290 -6.730 1.00 1.00 H new ATOM 0 HA GLN A 79 -6.323 -6.586 -7.507 1.00 1.00 H new ATOM 0 HB2 GLN A 79 -7.172 -7.240 -9.622 1.00 1.00 H new ATOM 0 HB3 GLN A 79 -6.225 -8.579 -9.004 1.00 1.00 H new ATOM 0 HG2 GLN A 79 -8.093 -9.615 -9.967 1.00 1.00 H new ATOM 0 HG3 GLN A 79 -8.454 -9.628 -8.252 1.00 1.00 H new ATOM 0 HE21 GLN A 79 -10.736 -9.815 -8.608 1.00 1.00 H new ATOM 0 HE22 GLN A 79 -11.685 -8.447 -9.199 1.00 1.00 H new ATOM 1266 N GLU A 80 -9.303 -7.205 -6.370 1.00 1.00 N ATOM 1267 CA GLU A 80 -10.602 -6.607 -6.064 1.00 1.00 C ATOM 1268 C GLU A 80 -10.396 -5.303 -5.286 1.00 1.00 C ATOM 1269 O GLU A 80 -10.890 -4.254 -5.695 1.00 1.00 O ATOM 1270 CB GLU A 80 -11.516 -7.623 -5.345 1.00 1.00 C ATOM 1271 CG GLU A 80 -11.041 -8.000 -3.935 1.00 1.00 C ATOM 1272 CD GLU A 80 -11.626 -9.313 -3.416 1.00 1.00 C ATOM 1273 OE1 GLU A 80 -12.858 -9.373 -3.187 1.00 1.00 O ATOM 1274 OE2 GLU A 80 -10.842 -10.262 -3.174 1.00 1.00 O ATOM 0 H GLU A 80 -9.157 -8.121 -5.945 1.00 1.00 H new ATOM 0 HA GLU A 80 -11.122 -6.347 -6.986 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -12.522 -7.209 -5.280 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -11.582 -8.528 -5.949 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -9.953 -8.073 -3.936 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -11.306 -7.198 -3.246 1.00 1.00 H new ATOM 1281 N MET A 81 -9.595 -5.344 -4.213 1.00 1.00 N ATOM 1282 CA MET A 81 -9.244 -4.176 -3.420 1.00 1.00 C ATOM 1283 C MET A 81 -8.543 -3.158 -4.298 1.00 1.00 C ATOM 1284 O MET A 81 -8.927 -2.004 -4.270 1.00 1.00 O ATOM 1285 CB MET A 81 -8.376 -4.567 -2.223 1.00 1.00 C ATOM 1286 CG MET A 81 -8.123 -3.364 -1.317 1.00 1.00 C ATOM 1287 SD MET A 81 -9.554 -2.766 -0.371 1.00 1.00 S ATOM 1288 CE MET A 81 -9.566 -3.985 0.973 1.00 1.00 C ATOM 0 H MET A 81 -9.170 -6.207 -3.873 1.00 1.00 H new ATOM 0 HA MET A 81 -10.156 -3.728 -3.025 1.00 1.00 H new ATOM 0 HB2 MET A 81 -8.867 -5.358 -1.656 1.00 1.00 H new ATOM 0 HB3 MET A 81 -7.426 -4.969 -2.574 1.00 1.00 H new ATOM 0 HG2 MET A 81 -7.331 -3.623 -0.615 1.00 1.00 H new ATOM 0 HG3 MET A 81 -7.750 -2.544 -1.931 1.00 1.00 H new ATOM 0 HE1 MET A 81 -10.389 -3.767 1.654 1.00 1.00 H new ATOM 0 HE2 MET A 81 -9.694 -4.984 0.557 1.00 1.00 H new ATOM 0 HE3 MET A 81 -8.622 -3.937 1.516 1.00 1.00 H new ATOM 1298 N ALA A 82 -7.567 -3.563 -5.107 1.00 1.00 N ATOM 1299 CA ALA A 82 -6.835 -2.655 -5.985 1.00 1.00 C ATOM 1300 C ALA A 82 -7.787 -1.834 -6.878 1.00 1.00 C ATOM 1301 O ALA A 82 -7.600 -0.622 -7.056 1.00 1.00 O ATOM 1302 CB ALA A 82 -5.864 -3.492 -6.826 1.00 1.00 C ATOM 0 H ALA A 82 -7.261 -4.534 -5.172 1.00 1.00 H new ATOM 0 HA ALA A 82 -6.282 -1.931 -5.386 1.00 1.00 H new ATOM 0 HB1 ALA A 82 -5.303 -2.837 -7.493 1.00 1.00 H new ATOM 0 HB2 ALA A 82 -5.173 -4.018 -6.168 1.00 1.00 H new ATOM 0 HB3 ALA A 82 -6.425 -4.216 -7.416 1.00 1.00 H new ATOM 1308 N GLY A 83 -8.833 -2.477 -7.402 1.00 1.00 N ATOM 1309 CA GLY A 83 -9.855 -1.823 -8.205 1.00 1.00 C ATOM 1310 C GLY A 83 -10.728 -0.901 -7.363 1.00 1.00 C ATOM 1311 O GLY A 83 -10.866 0.282 -7.679 1.00 1.00 O ATOM 0 H GLY A 83 -8.991 -3.477 -7.276 1.00 1.00 H new ATOM 0 HA2 GLY A 83 -9.381 -1.249 -9.001 1.00 1.00 H new ATOM 0 HA3 GLY A 83 -10.479 -2.577 -8.685 1.00 1.00 H new ATOM 1315 N GLN A 84 -11.298 -1.435 -6.280 1.00 1.00 N ATOM 1316 CA GLN A 84 -12.156 -0.706 -5.351 1.00 1.00 C ATOM 1317 C GLN A 84 -11.448 0.547 -4.833 1.00 1.00 C ATOM 1318 O GLN A 84 -12.053 1.613 -4.770 1.00 1.00 O ATOM 1319 CB GLN A 84 -12.531 -1.626 -4.175 1.00 1.00 C ATOM 1320 CG GLN A 84 -13.457 -2.793 -4.555 1.00 1.00 C ATOM 1321 CD GLN A 84 -14.911 -2.359 -4.610 1.00 1.00 C ATOM 1322 OE1 GLN A 84 -15.621 -2.409 -3.609 1.00 1.00 O ATOM 1323 NE2 GLN A 84 -15.398 -1.908 -5.754 1.00 1.00 N ATOM 0 H GLN A 84 -11.170 -2.413 -6.021 1.00 1.00 H new ATOM 0 HA GLN A 84 -13.061 -0.395 -5.873 1.00 1.00 H new ATOM 0 HB2 GLN A 84 -11.617 -2.030 -3.739 1.00 1.00 H new ATOM 0 HB3 GLN A 84 -13.016 -1.029 -3.402 1.00 1.00 H new ATOM 0 HG2 GLN A 84 -13.159 -3.193 -5.524 1.00 1.00 H new ATOM 0 HG3 GLN A 84 -13.344 -3.598 -3.829 1.00 1.00 H new ATOM 0 HE21 GLN A 84 -14.803 -1.869 -6.582 1.00 1.00 H new ATOM 0 HE22 GLN A 84 -16.369 -1.599 -5.809 1.00 1.00 H new ATOM 1332 N LEU A 85 -10.171 0.413 -4.490 1.00 1.00 N ATOM 1333 CA LEU A 85 -9.264 1.417 -3.969 1.00 1.00 C ATOM 1334 C LEU A 85 -9.033 2.511 -5.000 1.00 1.00 C ATOM 1335 O LEU A 85 -9.180 3.690 -4.661 1.00 1.00 O ATOM 1336 CB LEU A 85 -7.942 0.720 -3.624 1.00 1.00 C ATOM 1337 CG LEU A 85 -6.883 1.637 -3.011 1.00 1.00 C ATOM 1338 CD1 LEU A 85 -7.097 1.784 -1.517 1.00 1.00 C ATOM 1339 CD2 LEU A 85 -5.521 0.985 -3.156 1.00 1.00 C ATOM 0 H LEU A 85 -9.705 -0.490 -4.581 1.00 1.00 H new ATOM 0 HA LEU A 85 -9.689 1.885 -3.081 1.00 1.00 H new ATOM 0 HB2 LEU A 85 -8.146 -0.094 -2.929 1.00 1.00 H new ATOM 0 HB3 LEU A 85 -7.535 0.271 -4.530 1.00 1.00 H new ATOM 0 HG LEU A 85 -6.949 2.601 -3.516 1.00 1.00 H new ATOM 0 HD11 LEU A 85 -6.332 2.441 -1.103 1.00 1.00 H new ATOM 0 HD12 LEU A 85 -8.082 2.212 -1.331 1.00 1.00 H new ATOM 0 HD13 LEU A 85 -7.031 0.805 -1.042 1.00 1.00 H new ATOM 0 HD21 LEU A 85 -4.760 1.633 -2.721 1.00 1.00 H new ATOM 0 HD22 LEU A 85 -5.520 0.026 -2.639 1.00 1.00 H new ATOM 0 HD23 LEU A 85 -5.304 0.828 -4.212 1.00 1.00 H new ATOM 1351 N GLN A 86 -8.657 2.151 -6.238 1.00 1.00 N ATOM 1352 CA GLN A 86 -8.471 3.182 -7.250 1.00 1.00 C ATOM 1353 C GLN A 86 -9.787 3.931 -7.467 1.00 1.00 C ATOM 1354 O GLN A 86 -9.789 5.156 -7.374 1.00 1.00 O ATOM 1355 CB GLN A 86 -7.905 2.629 -8.565 1.00 1.00 C ATOM 1356 CG GLN A 86 -7.492 3.809 -9.465 1.00 1.00 C ATOM 1357 CD GLN A 86 -6.969 3.359 -10.821 1.00 1.00 C ATOM 1358 OE1 GLN A 86 -5.914 2.741 -10.922 1.00 1.00 O ATOM 1359 NE2 GLN A 86 -7.657 3.674 -11.900 1.00 1.00 N ATOM 0 H GLN A 86 -8.484 1.194 -6.546 1.00 1.00 H new ATOM 0 HA GLN A 86 -7.721 3.882 -6.882 1.00 1.00 H new ATOM 0 HB2 GLN A 86 -7.046 1.988 -8.366 1.00 1.00 H new ATOM 0 HB3 GLN A 86 -8.652 2.014 -9.068 1.00 1.00 H new ATOM 0 HG2 GLN A 86 -8.349 4.467 -9.611 1.00 1.00 H new ATOM 0 HG3 GLN A 86 -6.724 4.394 -8.960 1.00 1.00 H new ATOM 0 HE21 GLN A 86 -8.534 4.188 -11.814 1.00 1.00 H new ATOM 0 HE22 GLN A 86 -7.313 3.404 -12.821 1.00 1.00 H new ATOM 1368 N ALA A 87 -10.895 3.225 -7.718 1.00 1.00 N ATOM 1369 CA ALA A 87 -12.185 3.853 -7.982 1.00 1.00 C ATOM 1370 C ALA A 87 -12.660 4.698 -6.790 1.00 1.00 C ATOM 1371 O ALA A 87 -13.255 5.758 -6.987 1.00 1.00 O ATOM 1372 CB ALA A 87 -13.210 2.775 -8.348 1.00 1.00 C ATOM 0 H ALA A 87 -10.918 2.206 -7.743 1.00 1.00 H new ATOM 0 HA ALA A 87 -12.075 4.537 -8.823 1.00 1.00 H new ATOM 0 HB1 ALA A 87 -14.175 3.242 -8.546 1.00 1.00 H new ATOM 0 HB2 ALA A 87 -12.876 2.242 -9.238 1.00 1.00 H new ATOM 0 HB3 ALA A 87 -13.310 2.072 -7.521 1.00 1.00 H new ATOM 1378 N ALA A 88 -12.394 4.271 -5.555 1.00 1.00 N ATOM 1379 CA ALA A 88 -12.702 5.046 -4.360 1.00 1.00 C ATOM 1380 C ALA A 88 -11.907 6.351 -4.383 1.00 1.00 C ATOM 1381 O ALA A 88 -12.465 7.419 -4.123 1.00 1.00 O ATOM 1382 CB ALA A 88 -12.376 4.239 -3.099 1.00 1.00 C ATOM 0 H ALA A 88 -11.956 3.371 -5.358 1.00 1.00 H new ATOM 0 HA ALA A 88 -13.767 5.277 -4.346 1.00 1.00 H new ATOM 0 HB1 ALA A 88 -12.612 4.833 -2.216 1.00 1.00 H new ATOM 0 HB2 ALA A 88 -12.968 3.324 -3.090 1.00 1.00 H new ATOM 0 HB3 ALA A 88 -11.316 3.986 -3.093 1.00 1.00 H new ATOM 1388 N THR A 89 -10.622 6.281 -4.734 1.00 1.00 N ATOM 1389 CA THR A 89 -9.754 7.444 -4.836 1.00 1.00 C ATOM 1390 C THR A 89 -10.224 8.401 -5.929 1.00 1.00 C ATOM 1391 O THR A 89 -10.340 9.611 -5.708 1.00 1.00 O ATOM 1392 CB THR A 89 -8.288 7.006 -5.009 1.00 1.00 C ATOM 1393 OG1 THR A 89 -7.928 6.109 -3.978 1.00 1.00 O ATOM 1394 CG2 THR A 89 -7.350 8.219 -4.952 1.00 1.00 C ATOM 0 H THR A 89 -10.154 5.403 -4.957 1.00 1.00 H new ATOM 0 HA THR A 89 -9.813 8.006 -3.904 1.00 1.00 H new ATOM 0 HB THR A 89 -8.193 6.520 -5.980 1.00 1.00 H new ATOM 0 HG1 THR A 89 -8.334 5.234 -4.149 1.00 1.00 H new ATOM 0 HG21 THR A 89 -6.319 7.888 -5.076 1.00 1.00 H new ATOM 0 HG22 THR A 89 -7.606 8.915 -5.751 1.00 1.00 H new ATOM 0 HG23 THR A 89 -7.457 8.717 -3.988 1.00 1.00 H new