USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 597 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 50 ASN : amide:sc= 1.57 K(o=3.5,f=-4.1!) USER MOD Set 1.2: A 58 THR OG1 : rot 76:sc= 1.35 USER MOD Set 1.3: A 68 THR OG1 : rot 140:sc= 0.547 USER MOD Set 2.1: A 25 THR OG1 : rot 83:sc= 2.34 USER MOD Set 2.2: A 31 TYR OH : rot 8:sc= 0.487 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 TYR OH : rot -72:sc= 0.489 USER MOD Single : A 10 THR OG1 : rot 50:sc= -0.381 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot -86:sc= 0.906 USER MOD Single : A 16 TYR OH : rot -15:sc= 0.989 USER MOD Single : A 21 LYS NZ :NH3+ 173:sc= 1.08 (180deg=0.834) USER MOD Single : A 22 THR OG1 : rot -84:sc= 1.27 USER MOD Single : A 27 ASN : amide:sc= 1.17 K(o=1.2,f=-0.082) USER MOD Single : A 38 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 ASN :FLIP amide:sc= -1.51 F(o=-2.2!,f=-1.5) USER MOD Single : A 48 SER OG : rot 71:sc= 1.26 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.054) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -1.02 K(o=-1,f=-3.9!) USER MOD Single : A 71 SER OG : rot 92:sc= 1.24 USER MOD Single : A 76 LYS NZ :NH3+ -162:sc= -0.0246 (180deg=-0.338) USER MOD Single : A 78 LYS NZ :NH3+ 160:sc= -0.627 (180deg=-0.699) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 60 N ALA A 5 6.415 3.208 6.306 1.00 0.00 N ATOM 61 CA ALA A 5 6.579 3.839 4.999 1.00 0.00 C ATOM 62 C ALA A 5 5.356 3.638 4.106 1.00 0.00 C ATOM 63 O ALA A 5 5.155 4.372 3.120 1.00 0.00 O ATOM 64 CB ALA A 5 7.821 3.285 4.315 1.00 0.00 C ATOM 0 HA ALA A 5 6.691 4.911 5.160 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.941 3.758 3.340 1.00 0.00 H new ATOM 0 HB2 ALA A 5 8.697 3.492 4.929 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.715 2.208 4.186 1.00 0.00 H new ATOM 70 N LEU A 6 4.548 2.664 4.444 1.00 0.00 N ATOM 71 CA LEU A 6 3.383 2.336 3.664 1.00 0.00 C ATOM 72 C LEU A 6 2.114 2.707 4.371 1.00 0.00 C ATOM 73 O LEU A 6 1.993 2.577 5.598 1.00 0.00 O ATOM 74 CB LEU A 6 3.320 0.844 3.312 1.00 0.00 C ATOM 75 CG LEU A 6 4.256 0.310 2.231 1.00 0.00 C ATOM 76 CD1 LEU A 6 5.706 0.445 2.620 1.00 0.00 C ATOM 77 CD2 LEU A 6 3.920 -1.134 1.933 1.00 0.00 C ATOM 0 H LEU A 6 4.680 2.077 5.268 1.00 0.00 H new ATOM 0 HA LEU A 6 3.475 2.918 2.747 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.512 0.280 4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.298 0.618 3.007 1.00 0.00 H new ATOM 0 HG LEU A 6 4.108 0.911 1.334 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.335 0.052 1.821 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.942 1.496 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.891 -0.116 3.536 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.590 -1.512 1.161 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.038 -1.729 2.838 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.890 -1.203 1.585 1.00 0.00 H new ATOM 89 N THR A 7 1.201 3.186 3.610 1.00 0.00 N ATOM 90 CA THR A 7 -0.122 3.438 4.048 1.00 0.00 C ATOM 91 C THR A 7 -1.028 2.692 3.075 1.00 0.00 C ATOM 92 O THR A 7 -1.120 3.053 1.902 1.00 0.00 O ATOM 93 CB THR A 7 -0.410 4.942 4.019 1.00 0.00 C ATOM 94 OG1 THR A 7 0.628 5.629 4.750 1.00 0.00 O ATOM 95 CG2 THR A 7 -1.758 5.247 4.649 1.00 0.00 C ATOM 0 H THR A 7 1.359 3.422 2.630 1.00 0.00 H new ATOM 0 HA THR A 7 -0.283 3.104 5.073 1.00 0.00 H new ATOM 0 HB THR A 7 -0.432 5.279 2.982 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.454 6.593 4.736 1.00 0.00 H new ATOM 0 HG21 THR A 7 -1.940 6.321 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 7 -2.543 4.729 4.098 1.00 0.00 H new ATOM 0 HG23 THR A 7 -1.760 4.910 5.686 1.00 0.00 H new ATOM 103 N ILE A 8 -1.621 1.634 3.534 1.00 0.00 N ATOM 104 CA ILE A 8 -2.381 0.768 2.689 1.00 0.00 C ATOM 105 C ILE A 8 -3.859 0.886 2.965 1.00 0.00 C ATOM 106 O ILE A 8 -4.306 0.925 4.110 1.00 0.00 O ATOM 107 CB ILE A 8 -1.916 -0.707 2.821 1.00 0.00 C ATOM 108 CG1 ILE A 8 -0.470 -0.839 2.357 1.00 0.00 C ATOM 109 CG2 ILE A 8 -2.825 -1.653 2.038 1.00 0.00 C ATOM 110 CD1 ILE A 8 0.066 -2.238 2.433 1.00 0.00 C ATOM 0 H ILE A 8 -1.591 1.346 4.512 1.00 0.00 H new ATOM 0 HA ILE A 8 -2.203 1.086 1.662 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.979 -0.992 3.871 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -0.395 -0.487 1.328 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.157 -0.186 2.964 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -2.470 -2.677 2.153 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.843 -1.577 2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.811 -1.380 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.099 -2.251 2.086 1.00 0.00 H new ATOM 0 HD12 ILE A 8 0.025 -2.588 3.464 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -0.536 -2.893 1.803 1.00 0.00 H new ATOM 122 N TYR A 9 -4.586 0.960 1.914 1.00 0.00 N ATOM 123 CA TYR A 9 -5.997 1.042 1.945 1.00 0.00 C ATOM 124 C TYR A 9 -6.564 -0.374 1.907 1.00 0.00 C ATOM 125 O TYR A 9 -6.391 -1.078 0.920 1.00 0.00 O ATOM 126 CB TYR A 9 -6.442 1.880 0.744 1.00 0.00 C ATOM 127 CG TYR A 9 -5.912 3.314 0.786 1.00 0.00 C ATOM 128 CD1 TYR A 9 -6.566 4.299 1.511 1.00 0.00 C ATOM 129 CD2 TYR A 9 -4.741 3.668 0.123 1.00 0.00 C ATOM 130 CE1 TYR A 9 -6.076 5.592 1.570 1.00 0.00 C ATOM 131 CE2 TYR A 9 -4.243 4.951 0.182 1.00 0.00 C ATOM 132 CZ TYR A 9 -4.914 5.909 0.906 1.00 0.00 C ATOM 133 OH TYR A 9 -4.411 7.191 0.977 1.00 0.00 O ATOM 0 H TYR A 9 -4.199 0.965 0.970 1.00 0.00 H new ATOM 0 HA TYR A 9 -6.364 1.521 2.853 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -6.102 1.400 -0.173 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -7.531 1.902 0.707 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -7.475 4.052 2.040 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -4.211 2.921 -0.450 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -6.603 6.347 2.134 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.330 5.203 -0.338 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.978 7.794 0.453 1.00 0.00 H new ATOM 143 N THR A 10 -7.164 -0.809 3.007 1.00 0.00 N ATOM 144 CA THR A 10 -7.725 -2.144 3.107 1.00 0.00 C ATOM 145 C THR A 10 -9.086 -2.147 3.791 1.00 0.00 C ATOM 146 O THR A 10 -9.346 -1.352 4.706 1.00 0.00 O ATOM 147 CB THR A 10 -6.777 -3.108 3.870 1.00 0.00 C ATOM 148 OG1 THR A 10 -6.220 -2.463 5.023 1.00 0.00 O ATOM 149 CG2 THR A 10 -5.671 -3.639 2.986 1.00 0.00 C ATOM 0 H THR A 10 -7.274 -0.246 3.851 1.00 0.00 H new ATOM 0 HA THR A 10 -7.847 -2.493 2.082 1.00 0.00 H new ATOM 0 HB THR A 10 -7.379 -3.958 4.191 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.938 -2.046 5.544 1.00 0.00 H new ATOM 0 HG21 THR A 10 -5.034 -4.309 3.563 1.00 0.00 H new ATOM 0 HG22 THR A 10 -6.105 -4.184 2.148 1.00 0.00 H new ATOM 0 HG23 THR A 10 -5.076 -2.807 2.609 1.00 0.00 H new ATOM 157 N THR A 11 -9.947 -3.014 3.332 1.00 0.00 N ATOM 158 CA THR A 11 -11.220 -3.238 3.923 1.00 0.00 C ATOM 159 C THR A 11 -11.376 -4.737 4.097 1.00 0.00 C ATOM 160 O THR A 11 -10.594 -5.511 3.536 1.00 0.00 O ATOM 161 CB THR A 11 -12.369 -2.700 3.031 1.00 0.00 C ATOM 162 OG1 THR A 11 -12.233 -3.211 1.700 1.00 0.00 O ATOM 163 CG2 THR A 11 -12.389 -1.181 2.996 1.00 0.00 C ATOM 0 H THR A 11 -9.769 -3.596 2.513 1.00 0.00 H new ATOM 0 HA THR A 11 -11.277 -2.712 4.876 1.00 0.00 H new ATOM 0 HB THR A 11 -13.311 -3.039 3.463 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.963 -2.869 1.142 1.00 0.00 H new ATOM 0 HG21 THR A 11 -13.208 -0.842 2.361 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.530 -0.796 4.006 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.444 -0.814 2.596 1.00 0.00 H new ATOM 171 N SER A 12 -12.327 -5.149 4.875 1.00 0.00 N ATOM 172 CA SER A 12 -12.605 -6.556 5.040 1.00 0.00 C ATOM 173 C SER A 12 -13.573 -7.052 3.949 1.00 0.00 C ATOM 174 O SER A 12 -13.910 -8.247 3.877 1.00 0.00 O ATOM 175 CB SER A 12 -13.146 -6.818 6.446 1.00 0.00 C ATOM 176 OG SER A 12 -14.264 -5.982 6.729 1.00 0.00 O ATOM 0 H SER A 12 -12.934 -4.531 5.414 1.00 0.00 H new ATOM 0 HA SER A 12 -11.679 -7.120 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 12 -13.438 -7.864 6.538 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.360 -6.641 7.180 1.00 0.00 H new ATOM 0 HG SER A 12 -13.949 -5.123 7.081 1.00 0.00 H new ATOM 182 N TRP A 13 -13.971 -6.134 3.068 1.00 0.00 N ATOM 183 CA TRP A 13 -14.986 -6.391 2.047 1.00 0.00 C ATOM 184 C TRP A 13 -14.381 -7.079 0.810 1.00 0.00 C ATOM 185 O TRP A 13 -15.021 -7.170 -0.238 1.00 0.00 O ATOM 186 CB TRP A 13 -15.633 -5.070 1.592 1.00 0.00 C ATOM 187 CG TRP A 13 -16.088 -4.144 2.693 1.00 0.00 C ATOM 188 CD1 TRP A 13 -16.585 -4.479 3.925 1.00 0.00 C ATOM 189 CD2 TRP A 13 -16.123 -2.710 2.630 1.00 0.00 C ATOM 190 NE1 TRP A 13 -16.882 -3.341 4.634 1.00 0.00 N ATOM 191 CE2 TRP A 13 -16.619 -2.245 3.858 1.00 0.00 C ATOM 192 CE3 TRP A 13 -15.770 -1.773 1.651 1.00 0.00 C ATOM 193 CZ2 TRP A 13 -16.773 -0.888 4.136 1.00 0.00 C ATOM 194 CZ3 TRP A 13 -15.927 -0.430 1.930 1.00 0.00 C ATOM 195 CH2 TRP A 13 -16.422 0.001 3.160 1.00 0.00 C ATOM 0 H TRP A 13 -13.596 -5.186 3.043 1.00 0.00 H new ATOM 0 HA TRP A 13 -15.732 -7.047 2.495 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -14.919 -4.535 0.966 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -16.492 -5.306 0.964 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -16.723 -5.488 4.285 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -17.242 -3.317 5.588 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -15.382 -2.095 0.696 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -17.156 -0.552 5.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -15.661 0.301 1.181 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -16.530 1.060 3.345 1.00 0.00 H new ATOM 206 N CYS A 14 -13.180 -7.559 0.928 1.00 0.00 N ATOM 207 CA CYS A 14 -12.508 -8.165 -0.187 1.00 0.00 C ATOM 208 C CYS A 14 -11.610 -9.304 0.260 1.00 0.00 C ATOM 209 O CYS A 14 -11.433 -9.531 1.465 1.00 0.00 O ATOM 210 CB CYS A 14 -11.710 -7.096 -0.936 1.00 0.00 C ATOM 211 SG CYS A 14 -10.661 -6.042 0.138 1.00 0.00 S ATOM 0 H CYS A 14 -12.639 -7.543 1.793 1.00 0.00 H new ATOM 0 HA CYS A 14 -13.253 -8.592 -0.858 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -11.076 -7.585 -1.675 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -12.404 -6.458 -1.483 1.00 0.00 H new ATOM 216 N GLY A 15 -11.081 -10.030 -0.699 1.00 0.00 N ATOM 217 CA GLY A 15 -10.160 -11.098 -0.428 1.00 0.00 C ATOM 218 C GLY A 15 -8.790 -10.817 -1.020 1.00 0.00 C ATOM 219 O GLY A 15 -7.767 -11.112 -0.397 1.00 0.00 O ATOM 0 H GLY A 15 -11.281 -9.892 -1.690 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -10.070 -11.237 0.649 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -10.551 -12.029 -0.838 1.00 0.00 H new ATOM 223 N TYR A 16 -8.759 -10.189 -2.206 1.00 0.00 N ATOM 224 CA TYR A 16 -7.478 -9.907 -2.904 1.00 0.00 C ATOM 225 C TYR A 16 -6.599 -8.930 -2.120 1.00 0.00 C ATOM 226 O TYR A 16 -5.375 -8.919 -2.260 1.00 0.00 O ATOM 227 CB TYR A 16 -7.691 -9.428 -4.375 1.00 0.00 C ATOM 228 CG TYR A 16 -8.300 -8.027 -4.586 1.00 0.00 C ATOM 229 CD1 TYR A 16 -9.280 -7.519 -3.753 1.00 0.00 C ATOM 230 CD2 TYR A 16 -7.900 -7.240 -5.660 1.00 0.00 C ATOM 231 CE1 TYR A 16 -9.845 -6.281 -3.973 1.00 0.00 C ATOM 232 CE2 TYR A 16 -8.458 -5.999 -5.882 1.00 0.00 C ATOM 233 CZ TYR A 16 -9.429 -5.527 -5.038 1.00 0.00 C ATOM 234 OH TYR A 16 -9.987 -4.294 -5.262 1.00 0.00 O ATOM 0 H TYR A 16 -9.590 -9.867 -2.703 1.00 0.00 H new ATOM 0 HA TYR A 16 -6.945 -10.856 -2.954 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -6.726 -9.455 -4.881 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -8.333 -10.153 -4.875 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -9.611 -8.107 -2.909 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -7.139 -7.607 -6.332 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -10.611 -5.908 -3.310 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -8.131 -5.400 -6.719 1.00 0.00 H new ATOM 0 HH TYR A 16 -10.810 -4.207 -4.737 1.00 0.00 H new ATOM 244 N CYS A 17 -7.235 -8.154 -1.282 1.00 0.00 N ATOM 245 CA CYS A 17 -6.568 -7.201 -0.429 1.00 0.00 C ATOM 246 C CYS A 17 -5.787 -7.927 0.659 1.00 0.00 C ATOM 247 O CYS A 17 -4.624 -7.617 0.913 1.00 0.00 O ATOM 248 CB CYS A 17 -7.617 -6.286 0.171 1.00 0.00 C ATOM 249 SG CYS A 17 -9.100 -7.204 0.690 1.00 0.00 S ATOM 0 H CYS A 17 -8.249 -8.165 -1.170 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.856 -6.609 -1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -7.195 -5.763 1.029 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -7.897 -5.527 -0.559 1.00 0.00 H new ATOM 254 N LEU A 18 -6.416 -8.948 1.237 1.00 0.00 N ATOM 255 CA LEU A 18 -5.823 -9.743 2.296 1.00 0.00 C ATOM 256 C LEU A 18 -4.613 -10.502 1.819 1.00 0.00 C ATOM 257 O LEU A 18 -3.682 -10.719 2.582 1.00 0.00 O ATOM 258 CB LEU A 18 -6.832 -10.710 2.910 1.00 0.00 C ATOM 259 CG LEU A 18 -7.765 -10.138 3.991 1.00 0.00 C ATOM 260 CD1 LEU A 18 -8.719 -9.090 3.461 1.00 0.00 C ATOM 261 CD2 LEU A 18 -8.517 -11.246 4.654 1.00 0.00 C ATOM 0 H LEU A 18 -7.357 -9.244 0.978 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.505 -9.039 3.065 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -7.449 -11.114 2.107 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -6.283 -11.547 3.342 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.133 -9.633 4.722 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -9.349 -8.727 4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -8.151 -8.259 3.043 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -9.345 -9.528 2.684 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -9.175 -10.833 5.418 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -9.112 -11.777 3.911 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -7.813 -11.937 5.117 1.00 0.00 H new ATOM 273 N ARG A 19 -4.622 -10.882 0.552 1.00 0.00 N ATOM 274 CA ARG A 19 -3.513 -11.617 -0.048 1.00 0.00 C ATOM 275 C ARG A 19 -2.234 -10.797 0.006 1.00 0.00 C ATOM 276 O ARG A 19 -1.218 -11.257 0.521 1.00 0.00 O ATOM 277 CB ARG A 19 -3.830 -12.009 -1.491 1.00 0.00 C ATOM 278 CG ARG A 19 -5.044 -12.909 -1.641 1.00 0.00 C ATOM 279 CD ARG A 19 -4.876 -14.204 -0.880 1.00 0.00 C ATOM 280 NE ARG A 19 -6.020 -15.092 -1.055 1.00 0.00 N ATOM 281 CZ ARG A 19 -6.073 -16.349 -0.601 1.00 0.00 C ATOM 282 NH1 ARG A 19 -5.040 -16.866 0.070 1.00 0.00 N ATOM 283 NH2 ARG A 19 -7.151 -17.085 -0.830 1.00 0.00 N ATOM 0 H ARG A 19 -5.392 -10.693 -0.089 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.367 -12.530 0.529 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -3.990 -11.103 -2.075 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.963 -12.514 -1.917 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.931 -12.387 -1.281 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.208 -13.126 -2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.971 -14.708 -1.218 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.744 -13.987 0.180 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.832 -14.731 -1.556 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.207 -16.302 0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -5.084 -17.825 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -7.935 -16.692 -1.350 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -7.196 -18.044 -0.486 1.00 0.00 H new ATOM 297 N LEU A 20 -2.310 -9.572 -0.476 1.00 0.00 N ATOM 298 CA LEU A 20 -1.156 -8.683 -0.473 1.00 0.00 C ATOM 299 C LEU A 20 -0.803 -8.292 0.958 1.00 0.00 C ATOM 300 O LEU A 20 0.369 -8.280 1.342 1.00 0.00 O ATOM 301 CB LEU A 20 -1.447 -7.419 -1.295 1.00 0.00 C ATOM 302 CG LEU A 20 -0.382 -6.291 -1.267 1.00 0.00 C ATOM 303 CD1 LEU A 20 0.815 -6.555 -2.188 1.00 0.00 C ATOM 304 CD2 LEU A 20 -1.018 -4.945 -1.552 1.00 0.00 C ATOM 0 H LEU A 20 -3.156 -9.166 -0.875 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.314 -9.209 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.594 -7.718 -2.333 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.391 -7.000 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 20 0.026 -6.277 -0.256 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.519 -5.725 -2.117 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.310 -7.478 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 20 0.468 -6.650 -3.217 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.253 -4.169 -1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.484 -4.964 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.775 -4.733 -0.797 1.00 0.00 H new ATOM 316 N LYS A 21 -1.838 -8.010 1.738 1.00 0.00 N ATOM 317 CA LYS A 21 -1.700 -7.562 3.113 1.00 0.00 C ATOM 318 C LYS A 21 -0.890 -8.582 3.940 1.00 0.00 C ATOM 319 O LYS A 21 0.105 -8.230 4.591 1.00 0.00 O ATOM 320 CB LYS A 21 -3.099 -7.346 3.722 1.00 0.00 C ATOM 321 CG LYS A 21 -3.093 -6.576 5.019 1.00 0.00 C ATOM 322 CD LYS A 21 -4.484 -6.403 5.606 1.00 0.00 C ATOM 323 CE LYS A 21 -4.419 -5.519 6.851 1.00 0.00 C ATOM 324 NZ LYS A 21 -5.714 -5.400 7.552 1.00 0.00 N ATOM 0 H LYS A 21 -2.807 -8.087 1.428 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.156 -6.618 3.130 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.720 -6.816 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.564 -8.317 3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.461 -7.093 5.741 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.649 -5.595 4.852 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -5.147 -5.955 4.866 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -4.903 -7.376 5.862 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -3.678 -5.926 7.539 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.076 -4.525 6.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -5.578 -4.888 8.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -6.386 -4.879 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -6.090 -6.349 7.749 1.00 0.00 H new ATOM 338 N THR A 22 -1.277 -9.842 3.856 1.00 0.00 N ATOM 339 CA THR A 22 -0.602 -10.903 4.581 1.00 0.00 C ATOM 340 C THR A 22 0.813 -11.141 4.042 1.00 0.00 C ATOM 341 O THR A 22 1.742 -11.423 4.809 1.00 0.00 O ATOM 342 CB THR A 22 -1.425 -12.208 4.552 1.00 0.00 C ATOM 343 OG1 THR A 22 -1.798 -12.513 3.200 1.00 0.00 O ATOM 344 CG2 THR A 22 -2.680 -12.079 5.405 1.00 0.00 C ATOM 0 H THR A 22 -2.063 -10.157 3.287 1.00 0.00 H new ATOM 0 HA THR A 22 -0.512 -10.581 5.618 1.00 0.00 H new ATOM 0 HB THR A 22 -0.809 -13.011 4.958 1.00 0.00 H new ATOM 0 HG1 THR A 22 -2.615 -12.024 2.968 1.00 0.00 H new ATOM 0 HG21 THR A 22 -3.243 -13.012 5.368 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.399 -11.866 6.436 1.00 0.00 H new ATOM 0 HG23 THR A 22 -3.298 -11.267 5.022 1.00 0.00 H new ATOM 352 N ALA A 23 0.981 -10.967 2.729 1.00 0.00 N ATOM 353 CA ALA A 23 2.276 -11.131 2.075 1.00 0.00 C ATOM 354 C ALA A 23 3.266 -10.132 2.621 1.00 0.00 C ATOM 355 O ALA A 23 4.368 -10.495 3.020 1.00 0.00 O ATOM 356 CB ALA A 23 2.143 -10.976 0.566 1.00 0.00 C ATOM 0 H ALA A 23 0.225 -10.710 2.094 1.00 0.00 H new ATOM 0 HA ALA A 23 2.641 -12.137 2.283 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.120 -11.102 0.100 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.457 -11.731 0.182 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.756 -9.984 0.335 1.00 0.00 H new ATOM 362 N LEU A 24 2.861 -8.884 2.682 1.00 0.00 N ATOM 363 CA LEU A 24 3.711 -7.822 3.196 1.00 0.00 C ATOM 364 C LEU A 24 4.022 -8.059 4.669 1.00 0.00 C ATOM 365 O LEU A 24 5.152 -7.842 5.116 1.00 0.00 O ATOM 366 CB LEU A 24 3.056 -6.463 2.979 1.00 0.00 C ATOM 367 CG LEU A 24 2.735 -6.112 1.519 1.00 0.00 C ATOM 368 CD1 LEU A 24 2.094 -4.760 1.433 1.00 0.00 C ATOM 369 CD2 LEU A 24 3.979 -6.156 0.652 1.00 0.00 C ATOM 0 H LEU A 24 1.938 -8.572 2.379 1.00 0.00 H new ATOM 0 HA LEU A 24 4.653 -7.829 2.648 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.131 -6.428 3.555 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.713 -5.693 3.384 1.00 0.00 H new ATOM 0 HG LEU A 24 2.036 -6.861 1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.873 -4.528 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.169 -4.759 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.773 -4.009 1.836 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.716 -5.903 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.709 -5.439 1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.407 -7.158 0.680 1.00 0.00 H new ATOM 381 N THR A 25 3.031 -8.570 5.393 1.00 0.00 N ATOM 382 CA THR A 25 3.186 -8.911 6.798 1.00 0.00 C ATOM 383 C THR A 25 4.305 -9.964 6.961 1.00 0.00 C ATOM 384 O THR A 25 5.231 -9.795 7.765 1.00 0.00 O ATOM 385 CB THR A 25 1.858 -9.477 7.375 1.00 0.00 C ATOM 386 OG1 THR A 25 0.785 -8.539 7.167 1.00 0.00 O ATOM 387 CG2 THR A 25 1.983 -9.757 8.869 1.00 0.00 C ATOM 0 H THR A 25 2.100 -8.758 5.020 1.00 0.00 H new ATOM 0 HA THR A 25 3.450 -8.006 7.345 1.00 0.00 H new ATOM 0 HB THR A 25 1.643 -10.410 6.854 1.00 0.00 H new ATOM 0 HG1 THR A 25 0.428 -8.646 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 25 1.039 -10.152 9.245 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.775 -10.487 9.037 1.00 0.00 H new ATOM 0 HG23 THR A 25 2.224 -8.832 9.394 1.00 0.00 H new ATOM 395 N ALA A 26 4.237 -11.012 6.154 1.00 0.00 N ATOM 396 CA ALA A 26 5.200 -12.097 6.204 1.00 0.00 C ATOM 397 C ALA A 26 6.581 -11.651 5.747 1.00 0.00 C ATOM 398 O ALA A 26 7.596 -12.079 6.295 1.00 0.00 O ATOM 399 CB ALA A 26 4.717 -13.271 5.376 1.00 0.00 C ATOM 0 H ALA A 26 3.512 -11.132 5.447 1.00 0.00 H new ATOM 0 HA ALA A 26 5.288 -12.411 7.244 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.450 -14.076 5.424 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.763 -13.625 5.768 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.590 -12.958 4.340 1.00 0.00 H new ATOM 405 N ASN A 27 6.606 -10.756 4.793 1.00 0.00 N ATOM 406 CA ASN A 27 7.850 -10.256 4.202 1.00 0.00 C ATOM 407 C ASN A 27 8.510 -9.153 5.033 1.00 0.00 C ATOM 408 O ASN A 27 9.521 -8.580 4.608 1.00 0.00 O ATOM 409 CB ASN A 27 7.611 -9.784 2.766 1.00 0.00 C ATOM 410 CG ASN A 27 7.566 -10.921 1.749 1.00 0.00 C ATOM 411 OD1 ASN A 27 8.586 -11.317 1.189 1.00 0.00 O ATOM 412 ND2 ASN A 27 6.397 -11.442 1.494 1.00 0.00 N ATOM 0 H ASN A 27 5.765 -10.342 4.392 1.00 0.00 H new ATOM 0 HA ASN A 27 8.548 -11.093 4.192 1.00 0.00 H new ATOM 0 HB2 ASN A 27 6.671 -9.234 2.725 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.401 -9.087 2.485 1.00 0.00 H new ATOM 0 HD21 ASN A 27 6.313 -12.198 0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 27 5.567 -11.093 1.974 1.00 0.00 H new ATOM 419 N ARG A 28 7.938 -8.871 6.218 1.00 0.00 N ATOM 420 CA ARG A 28 8.469 -7.876 7.180 1.00 0.00 C ATOM 421 C ARG A 28 8.321 -6.444 6.699 1.00 0.00 C ATOM 422 O ARG A 28 9.032 -5.554 7.157 1.00 0.00 O ATOM 423 CB ARG A 28 9.929 -8.157 7.562 1.00 0.00 C ATOM 424 CG ARG A 28 10.133 -9.385 8.424 1.00 0.00 C ATOM 425 CD ARG A 28 11.602 -9.559 8.765 1.00 0.00 C ATOM 426 NE ARG A 28 12.168 -8.356 9.401 1.00 0.00 N ATOM 427 CZ ARG A 28 13.467 -8.166 9.671 1.00 0.00 C ATOM 428 NH1 ARG A 28 14.354 -9.131 9.428 1.00 0.00 N ATOM 429 NH2 ARG A 28 13.872 -7.007 10.179 1.00 0.00 N ATOM 0 H ARG A 28 7.086 -9.329 6.542 1.00 0.00 H new ATOM 0 HA ARG A 28 7.853 -7.987 8.072 1.00 0.00 H new ATOM 0 HB2 ARG A 28 10.514 -8.270 6.649 1.00 0.00 H new ATOM 0 HB3 ARG A 28 10.326 -7.290 8.090 1.00 0.00 H new ATOM 0 HG2 ARG A 28 9.550 -9.294 9.340 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.768 -10.269 7.900 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.720 -10.412 9.433 1.00 0.00 H new ATOM 0 HD3 ARG A 28 12.161 -9.786 7.857 1.00 0.00 H new ATOM 0 HE ARG A 28 11.521 -7.610 9.656 1.00 0.00 H new ATOM 0 HH11 ARG A 28 14.045 -10.020 9.034 1.00 0.00 H new ATOM 0 HH12 ARG A 28 15.341 -8.980 9.636 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.195 -6.266 10.362 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.860 -6.858 10.386 1.00 0.00 H new ATOM 443 N ILE A 29 7.375 -6.214 5.837 1.00 0.00 N ATOM 444 CA ILE A 29 7.136 -4.891 5.332 1.00 0.00 C ATOM 445 C ILE A 29 6.056 -4.232 6.185 1.00 0.00 C ATOM 446 O ILE A 29 4.924 -4.720 6.246 1.00 0.00 O ATOM 447 CB ILE A 29 6.710 -4.922 3.841 1.00 0.00 C ATOM 448 CG1 ILE A 29 7.819 -5.585 2.986 1.00 0.00 C ATOM 449 CG2 ILE A 29 6.413 -3.508 3.349 1.00 0.00 C ATOM 450 CD1 ILE A 29 7.495 -5.707 1.510 1.00 0.00 C ATOM 0 H ILE A 29 6.751 -6.930 5.466 1.00 0.00 H new ATOM 0 HA ILE A 29 8.059 -4.315 5.389 1.00 0.00 H new ATOM 0 HB ILE A 29 5.801 -5.514 3.741 1.00 0.00 H new ATOM 0 HG12 ILE A 29 8.737 -5.008 3.096 1.00 0.00 H new ATOM 0 HG13 ILE A 29 8.019 -6.580 3.383 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.115 -3.542 2.301 1.00 0.00 H new ATOM 0 HG22 ILE A 29 5.605 -3.079 3.942 1.00 0.00 H new ATOM 0 HG23 ILE A 29 7.306 -2.892 3.452 1.00 0.00 H new ATOM 0 HD11 ILE A 29 8.328 -6.182 0.993 1.00 0.00 H new ATOM 0 HD12 ILE A 29 6.597 -6.312 1.383 1.00 0.00 H new ATOM 0 HD13 ILE A 29 7.326 -4.715 1.091 1.00 0.00 H new ATOM 462 N ALA A 30 6.423 -3.173 6.882 1.00 0.00 N ATOM 463 CA ALA A 30 5.496 -2.458 7.743 1.00 0.00 C ATOM 464 C ALA A 30 4.577 -1.564 6.928 1.00 0.00 C ATOM 465 O ALA A 30 4.996 -0.976 5.922 1.00 0.00 O ATOM 466 CB ALA A 30 6.250 -1.645 8.770 1.00 0.00 C ATOM 0 H ALA A 30 7.366 -2.785 6.869 1.00 0.00 H new ATOM 0 HA ALA A 30 4.881 -3.192 8.263 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.541 -1.116 9.407 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.862 -2.308 9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 30 6.892 -0.924 8.264 1.00 0.00 H new ATOM 472 N TYR A 31 3.344 -1.443 7.374 1.00 0.00 N ATOM 473 CA TYR A 31 2.341 -0.683 6.671 1.00 0.00 C ATOM 474 C TYR A 31 1.219 -0.307 7.622 1.00 0.00 C ATOM 475 O TYR A 31 0.886 -1.073 8.536 1.00 0.00 O ATOM 476 CB TYR A 31 1.769 -1.503 5.490 1.00 0.00 C ATOM 477 CG TYR A 31 1.086 -2.805 5.896 1.00 0.00 C ATOM 478 CD1 TYR A 31 1.802 -3.988 5.999 1.00 0.00 C ATOM 479 CD2 TYR A 31 -0.275 -2.837 6.187 1.00 0.00 C ATOM 480 CE1 TYR A 31 1.187 -5.157 6.385 1.00 0.00 C ATOM 481 CE2 TYR A 31 -0.893 -3.999 6.570 1.00 0.00 C ATOM 482 CZ TYR A 31 -0.159 -5.154 6.668 1.00 0.00 C ATOM 483 OH TYR A 31 -0.772 -6.308 7.064 1.00 0.00 O ATOM 0 H TYR A 31 3.012 -1.872 8.238 1.00 0.00 H new ATOM 0 HA TYR A 31 2.803 0.223 6.278 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.053 -0.885 4.949 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.579 -1.733 4.798 1.00 0.00 H new ATOM 0 HD1 TYR A 31 2.858 -3.992 5.773 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -0.855 -1.929 6.110 1.00 0.00 H new ATOM 0 HE1 TYR A 31 1.757 -6.071 6.465 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -1.950 -4.005 6.793 1.00 0.00 H new ATOM 0 HH TYR A 31 -0.097 -7.003 7.210 1.00 0.00 H new ATOM 493 N ASP A 32 0.659 0.850 7.428 1.00 0.00 N ATOM 494 CA ASP A 32 -0.490 1.275 8.204 1.00 0.00 C ATOM 495 C ASP A 32 -1.708 1.107 7.358 1.00 0.00 C ATOM 496 O ASP A 32 -1.690 1.492 6.198 1.00 0.00 O ATOM 497 CB ASP A 32 -0.394 2.746 8.620 1.00 0.00 C ATOM 498 CG ASP A 32 0.767 3.052 9.522 1.00 0.00 C ATOM 499 OD1 ASP A 32 0.812 2.514 10.651 1.00 0.00 O ATOM 500 OD2 ASP A 32 1.639 3.881 9.130 1.00 0.00 O ATOM 0 H ASP A 32 0.975 1.528 6.735 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.532 0.670 9.110 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.317 3.362 7.724 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.317 3.031 9.124 1.00 0.00 H new ATOM 505 N GLU A 33 -2.742 0.532 7.898 1.00 0.00 N ATOM 506 CA GLU A 33 -3.967 0.354 7.145 1.00 0.00 C ATOM 507 C GLU A 33 -4.904 1.530 7.432 1.00 0.00 C ATOM 508 O GLU A 33 -4.951 2.041 8.563 1.00 0.00 O ATOM 509 CB GLU A 33 -4.621 -0.998 7.467 1.00 0.00 C ATOM 510 CG GLU A 33 -5.049 -1.171 8.914 1.00 0.00 C ATOM 511 CD GLU A 33 -5.652 -2.520 9.176 1.00 0.00 C ATOM 512 OE1 GLU A 33 -4.902 -3.500 9.370 1.00 0.00 O ATOM 513 OE2 GLU A 33 -6.888 -2.640 9.179 1.00 0.00 O ATOM 0 H GLU A 33 -2.771 0.176 8.854 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.743 0.341 6.078 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.494 -1.125 6.827 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.921 -1.794 7.212 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.186 -1.030 9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -5.772 -0.397 9.171 1.00 0.00 H new ATOM 520 N VAL A 34 -5.610 1.976 6.434 1.00 0.00 N ATOM 521 CA VAL A 34 -6.451 3.148 6.573 1.00 0.00 C ATOM 522 C VAL A 34 -7.864 2.794 7.081 1.00 0.00 C ATOM 523 O VAL A 34 -8.443 1.777 6.718 1.00 0.00 O ATOM 524 CB VAL A 34 -6.520 3.964 5.249 1.00 0.00 C ATOM 525 CG1 VAL A 34 -7.171 5.322 5.458 1.00 0.00 C ATOM 526 CG2 VAL A 34 -5.135 4.132 4.660 1.00 0.00 C ATOM 0 H VAL A 34 -5.626 1.549 5.508 1.00 0.00 H new ATOM 0 HA VAL A 34 -5.985 3.779 7.330 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.140 3.403 4.549 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.200 5.861 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.187 5.185 5.829 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.593 5.895 6.184 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.200 4.705 3.735 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.499 4.661 5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.707 3.152 4.451 1.00 0.00 H new ATOM 536 N ASP A 35 -8.392 3.694 7.884 1.00 0.00 N ATOM 537 CA ASP A 35 -9.689 3.623 8.600 1.00 0.00 C ATOM 538 C ASP A 35 -10.932 3.609 7.657 1.00 0.00 C ATOM 539 O ASP A 35 -12.065 3.532 8.122 1.00 0.00 O ATOM 540 CB ASP A 35 -9.761 4.795 9.599 1.00 0.00 C ATOM 541 CG ASP A 35 -10.874 4.687 10.620 1.00 0.00 C ATOM 542 OD1 ASP A 35 -10.769 3.828 11.532 1.00 0.00 O ATOM 543 OD2 ASP A 35 -11.825 5.494 10.574 1.00 0.00 O ATOM 0 H ASP A 35 -7.904 4.568 8.081 1.00 0.00 H new ATOM 0 HA ASP A 35 -9.726 2.668 9.125 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.809 4.865 10.125 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -9.886 5.723 9.041 1.00 0.00 H new ATOM 548 N ILE A 36 -10.693 3.700 6.338 1.00 0.00 N ATOM 549 CA ILE A 36 -11.737 3.870 5.260 1.00 0.00 C ATOM 550 C ILE A 36 -12.994 2.986 5.380 1.00 0.00 C ATOM 551 O ILE A 36 -14.042 3.340 4.826 1.00 0.00 O ATOM 552 CB ILE A 36 -11.172 3.593 3.855 1.00 0.00 C ATOM 553 CG1 ILE A 36 -10.630 2.161 3.761 1.00 0.00 C ATOM 554 CG2 ILE A 36 -10.109 4.599 3.487 1.00 0.00 C ATOM 555 CD1 ILE A 36 -10.318 1.734 2.359 1.00 0.00 C ATOM 0 H ILE A 36 -9.747 3.658 5.960 1.00 0.00 H new ATOM 0 HA ILE A 36 -12.029 4.910 5.405 1.00 0.00 H new ATOM 0 HB ILE A 36 -11.987 3.696 3.138 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -9.727 2.082 4.367 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -11.361 1.475 4.188 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -9.729 4.378 2.490 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -10.537 5.601 3.498 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -9.292 4.545 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -9.939 0.712 2.366 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -11.224 1.781 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -9.564 2.398 1.936 1.00 0.00 H new ATOM 567 N GLU A 37 -12.897 1.853 6.067 1.00 0.00 N ATOM 568 CA GLU A 37 -14.036 0.961 6.222 1.00 0.00 C ATOM 569 C GLU A 37 -15.118 1.662 7.050 1.00 0.00 C ATOM 570 O GLU A 37 -16.304 1.373 6.933 1.00 0.00 O ATOM 571 CB GLU A 37 -13.595 -0.357 6.864 1.00 0.00 C ATOM 572 CG GLU A 37 -14.669 -1.427 6.890 1.00 0.00 C ATOM 573 CD GLU A 37 -14.169 -2.734 7.419 1.00 0.00 C ATOM 574 OE1 GLU A 37 -13.426 -3.443 6.692 1.00 0.00 O ATOM 575 OE2 GLU A 37 -14.478 -3.086 8.571 1.00 0.00 O ATOM 0 H GLU A 37 -12.043 1.533 6.524 1.00 0.00 H new ATOM 0 HA GLU A 37 -14.454 0.721 5.244 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.730 -0.740 6.323 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -13.270 -0.160 7.886 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -15.502 -1.085 7.505 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -15.056 -1.572 5.881 1.00 0.00 H new ATOM 582 N HIS A 38 -14.682 2.599 7.862 1.00 0.00 N ATOM 583 CA HIS A 38 -15.559 3.433 8.647 1.00 0.00 C ATOM 584 C HIS A 38 -15.474 4.862 8.130 1.00 0.00 C ATOM 585 O HIS A 38 -16.492 5.509 7.880 1.00 0.00 O ATOM 586 CB HIS A 38 -15.159 3.414 10.132 1.00 0.00 C ATOM 587 CG HIS A 38 -15.333 2.098 10.836 1.00 0.00 C ATOM 588 ND1 HIS A 38 -16.291 1.873 11.795 1.00 0.00 N ATOM 589 CD2 HIS A 38 -14.616 0.949 10.748 1.00 0.00 C ATOM 590 CE1 HIS A 38 -16.138 0.633 12.256 1.00 0.00 C ATOM 591 NE2 HIS A 38 -15.127 0.021 11.652 1.00 0.00 N ATOM 0 H HIS A 38 -13.692 2.805 7.996 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.575 3.050 8.557 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.114 3.713 10.212 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -15.747 4.167 10.657 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -13.782 0.781 10.083 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -16.755 0.185 13.020 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -14.794 -0.929 11.816 1.00 0.00 H new ATOM 599 N ASN A 39 -14.245 5.324 7.924 1.00 0.00 N ATOM 600 CA ASN A 39 -13.979 6.694 7.495 1.00 0.00 C ATOM 601 C ASN A 39 -14.408 6.931 6.075 1.00 0.00 C ATOM 602 O ASN A 39 -13.789 6.434 5.135 1.00 0.00 O ATOM 603 CB ASN A 39 -12.507 7.033 7.605 1.00 0.00 C ATOM 604 CG ASN A 39 -12.213 8.497 7.277 1.00 0.00 C ATOM 605 OD1 ASN A 39 -11.109 8.739 6.642 1.00 0.00 O flip ATOM 606 ND2 ASN A 39 -13.027 9.388 7.519 1.00 0.00 N flip ATOM 0 H ASN A 39 -13.405 4.760 8.050 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.559 7.334 8.160 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.163 6.815 8.616 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.939 6.393 6.930 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -13.888 9.170 8.020 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.841 10.345 7.218 1.00 0.00 H new ATOM 613 N ARG A 40 -15.424 7.719 5.925 1.00 0.00 N ATOM 614 CA ARG A 40 -15.963 8.042 4.631 1.00 0.00 C ATOM 615 C ARG A 40 -15.041 9.008 3.875 1.00 0.00 C ATOM 616 O ARG A 40 -15.019 9.015 2.648 1.00 0.00 O ATOM 617 CB ARG A 40 -17.362 8.639 4.799 1.00 0.00 C ATOM 618 CG ARG A 40 -17.387 9.993 5.500 1.00 0.00 C ATOM 619 CD ARG A 40 -18.786 10.369 5.922 1.00 0.00 C ATOM 620 NE ARG A 40 -19.284 9.481 6.979 1.00 0.00 N ATOM 621 CZ ARG A 40 -20.560 9.377 7.356 1.00 0.00 C ATOM 622 NH1 ARG A 40 -21.511 10.029 6.699 1.00 0.00 N ATOM 623 NH2 ARG A 40 -20.885 8.605 8.381 1.00 0.00 N ATOM 0 H ARG A 40 -15.912 8.164 6.702 1.00 0.00 H new ATOM 0 HA ARG A 40 -16.033 7.130 4.038 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -17.820 8.744 3.815 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -17.977 7.939 5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.737 9.964 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -16.989 10.757 4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -18.796 11.400 6.276 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -19.452 10.321 5.061 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.602 8.898 7.463 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -21.269 10.615 5.900 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -22.484 9.944 6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -20.161 8.090 8.882 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -21.860 8.525 8.670 1.00 0.00 H new ATOM 637 N ALA A 41 -14.238 9.779 4.615 1.00 0.00 N ATOM 638 CA ALA A 41 -13.405 10.792 3.994 1.00 0.00 C ATOM 639 C ALA A 41 -12.276 10.219 3.164 1.00 0.00 C ATOM 640 O ALA A 41 -12.175 10.500 1.964 1.00 0.00 O ATOM 641 CB ALA A 41 -12.945 11.862 4.978 1.00 0.00 C ATOM 0 H ALA A 41 -14.153 9.717 5.630 1.00 0.00 H new ATOM 0 HA ALA A 41 -14.050 11.303 3.279 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.326 12.593 4.458 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -13.815 12.362 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.365 11.398 5.776 1.00 0.00 H new ATOM 647 N ALA A 42 -11.471 9.373 3.756 1.00 0.00 N ATOM 648 CA ALA A 42 -10.357 8.784 3.032 1.00 0.00 C ATOM 649 C ALA A 42 -10.854 7.751 2.030 1.00 0.00 C ATOM 650 O ALA A 42 -10.174 7.442 1.070 1.00 0.00 O ATOM 651 CB ALA A 42 -9.334 8.183 3.980 1.00 0.00 C ATOM 0 H ALA A 42 -11.559 9.075 4.727 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.858 9.580 2.479 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -8.515 7.751 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -8.946 8.961 4.637 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -9.806 7.405 4.579 1.00 0.00 H new ATOM 657 N ALA A 43 -12.063 7.245 2.257 1.00 0.00 N ATOM 658 CA ALA A 43 -12.668 6.259 1.379 1.00 0.00 C ATOM 659 C ALA A 43 -12.896 6.839 -0.020 1.00 0.00 C ATOM 660 O ALA A 43 -12.672 6.173 -1.030 1.00 0.00 O ATOM 661 CB ALA A 43 -13.966 5.754 1.978 1.00 0.00 C ATOM 0 H ALA A 43 -12.645 7.508 3.052 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.984 5.416 1.279 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.411 5.015 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.766 5.295 2.946 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.656 6.588 2.108 1.00 0.00 H new ATOM 667 N GLU A 44 -13.302 8.091 -0.072 1.00 0.00 N ATOM 668 CA GLU A 44 -13.510 8.772 -1.345 1.00 0.00 C ATOM 669 C GLU A 44 -12.168 9.096 -2.002 1.00 0.00 C ATOM 670 O GLU A 44 -12.042 9.102 -3.239 1.00 0.00 O ATOM 671 CB GLU A 44 -14.352 10.026 -1.141 1.00 0.00 C ATOM 672 CG GLU A 44 -15.780 9.732 -0.704 1.00 0.00 C ATOM 673 CD GLU A 44 -16.636 9.132 -1.812 1.00 0.00 C ATOM 674 OE1 GLU A 44 -16.425 7.946 -2.196 1.00 0.00 O ATOM 675 OE2 GLU A 44 -17.565 9.815 -2.300 1.00 0.00 O ATOM 0 H GLU A 44 -13.496 8.663 0.750 1.00 0.00 H new ATOM 0 HA GLU A 44 -14.056 8.110 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -13.874 10.658 -0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -14.374 10.595 -2.071 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -15.760 9.046 0.143 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -16.243 10.655 -0.355 1.00 0.00 H new ATOM 682 N PHE A 45 -11.156 9.311 -1.169 1.00 0.00 N ATOM 683 CA PHE A 45 -9.806 9.574 -1.643 1.00 0.00 C ATOM 684 C PHE A 45 -9.232 8.311 -2.302 1.00 0.00 C ATOM 685 O PHE A 45 -8.470 8.397 -3.272 1.00 0.00 O ATOM 686 CB PHE A 45 -8.910 10.067 -0.490 1.00 0.00 C ATOM 687 CG PHE A 45 -7.488 10.368 -0.886 1.00 0.00 C ATOM 688 CD1 PHE A 45 -7.194 11.469 -1.669 1.00 0.00 C ATOM 689 CD2 PHE A 45 -6.447 9.553 -0.469 1.00 0.00 C ATOM 690 CE1 PHE A 45 -5.894 11.751 -2.030 1.00 0.00 C ATOM 691 CE2 PHE A 45 -5.142 9.833 -0.829 1.00 0.00 C ATOM 692 CZ PHE A 45 -4.866 10.934 -1.609 1.00 0.00 C ATOM 0 H PHE A 45 -11.249 9.308 -0.153 1.00 0.00 H new ATOM 0 HA PHE A 45 -9.837 10.366 -2.391 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -9.353 10.967 -0.063 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -8.902 9.311 0.296 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -7.992 12.116 -2.002 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.658 8.689 0.144 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -5.680 12.614 -2.644 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -4.340 9.189 -0.499 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.847 11.157 -1.890 1.00 0.00 H new ATOM 702 N VAL A 46 -9.632 7.149 -1.779 1.00 0.00 N ATOM 703 CA VAL A 46 -9.261 5.846 -2.345 1.00 0.00 C ATOM 704 C VAL A 46 -9.670 5.793 -3.803 1.00 0.00 C ATOM 705 O VAL A 46 -8.832 5.621 -4.686 1.00 0.00 O ATOM 706 CB VAL A 46 -9.960 4.678 -1.587 1.00 0.00 C ATOM 707 CG1 VAL A 46 -9.695 3.338 -2.252 1.00 0.00 C ATOM 708 CG2 VAL A 46 -9.499 4.627 -0.161 1.00 0.00 C ATOM 0 H VAL A 46 -10.223 7.083 -0.950 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.182 5.732 -2.245 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.033 4.870 -1.618 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -10.199 2.549 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -10.073 3.358 -3.274 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -8.622 3.144 -2.266 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.997 3.805 0.353 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.420 4.472 -0.133 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.744 5.567 0.334 1.00 0.00 H new ATOM 718 N GLY A 47 -10.956 6.026 -4.043 1.00 0.00 N ATOM 719 CA GLY A 47 -11.483 5.988 -5.386 1.00 0.00 C ATOM 720 C GLY A 47 -10.807 6.989 -6.289 1.00 0.00 C ATOM 721 O GLY A 47 -10.591 6.722 -7.461 1.00 0.00 O ATOM 0 H GLY A 47 -11.644 6.242 -3.322 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -11.356 4.986 -5.797 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.554 6.189 -5.361 1.00 0.00 H new ATOM 725 N SER A 48 -10.436 8.117 -5.723 1.00 0.00 N ATOM 726 CA SER A 48 -9.789 9.188 -6.454 1.00 0.00 C ATOM 727 C SER A 48 -8.391 8.779 -6.967 1.00 0.00 C ATOM 728 O SER A 48 -8.038 9.065 -8.113 1.00 0.00 O ATOM 729 CB SER A 48 -9.687 10.418 -5.564 1.00 0.00 C ATOM 730 OG SER A 48 -10.973 10.809 -5.075 1.00 0.00 O ATOM 0 H SER A 48 -10.576 8.320 -4.733 1.00 0.00 H new ATOM 0 HA SER A 48 -10.397 9.414 -7.330 1.00 0.00 H new ATOM 0 HB2 SER A 48 -9.024 10.209 -4.725 1.00 0.00 H new ATOM 0 HB3 SER A 48 -9.242 11.240 -6.125 1.00 0.00 H new ATOM 0 HG SER A 48 -11.283 10.157 -4.412 1.00 0.00 H new ATOM 736 N VAL A 49 -7.608 8.099 -6.130 1.00 0.00 N ATOM 737 CA VAL A 49 -6.255 7.696 -6.536 1.00 0.00 C ATOM 738 C VAL A 49 -6.271 6.436 -7.392 1.00 0.00 C ATOM 739 O VAL A 49 -5.302 6.135 -8.103 1.00 0.00 O ATOM 740 CB VAL A 49 -5.264 7.542 -5.340 1.00 0.00 C ATOM 741 CG1 VAL A 49 -5.081 8.871 -4.628 1.00 0.00 C ATOM 742 CG2 VAL A 49 -5.719 6.468 -4.357 1.00 0.00 C ATOM 0 H VAL A 49 -7.876 7.819 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 49 -5.880 8.520 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 49 -4.305 7.224 -5.749 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.387 8.746 -3.797 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -4.682 9.606 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.043 9.216 -4.249 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -5.001 6.394 -3.541 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -6.698 6.732 -3.956 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -5.784 5.509 -4.871 1.00 0.00 H new ATOM 752 N ASN A 50 -7.352 5.698 -7.311 1.00 0.00 N ATOM 753 CA ASN A 50 -7.536 4.528 -8.151 1.00 0.00 C ATOM 754 C ASN A 50 -7.946 4.984 -9.537 1.00 0.00 C ATOM 755 O ASN A 50 -7.352 4.586 -10.538 1.00 0.00 O ATOM 756 CB ASN A 50 -8.615 3.599 -7.591 1.00 0.00 C ATOM 757 CG ASN A 50 -8.287 2.954 -6.252 1.00 0.00 C ATOM 758 OD1 ASN A 50 -9.181 2.731 -5.446 1.00 0.00 O ATOM 759 ND2 ASN A 50 -7.049 2.593 -6.025 1.00 0.00 N ATOM 0 H ASN A 50 -8.124 5.884 -6.670 1.00 0.00 H new ATOM 0 HA ASN A 50 -6.597 3.976 -8.184 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -9.540 4.166 -7.486 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -8.805 2.810 -8.319 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -6.809 2.112 -5.158 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -6.325 2.792 -6.715 1.00 0.00 H new ATOM 766 N GLY A 51 -8.946 5.841 -9.575 1.00 0.00 N ATOM 767 CA GLY A 51 -9.446 6.373 -10.806 1.00 0.00 C ATOM 768 C GLY A 51 -10.919 6.678 -10.693 1.00 0.00 C ATOM 769 O GLY A 51 -11.318 7.652 -10.043 1.00 0.00 O ATOM 0 H GLY A 51 -9.430 6.183 -8.745 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.900 7.280 -11.065 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -9.278 5.659 -11.612 1.00 0.00 H new ATOM 773 N GLY A 52 -11.727 5.842 -11.290 1.00 0.00 N ATOM 774 CA GLY A 52 -13.156 6.019 -11.239 1.00 0.00 C ATOM 775 C GLY A 52 -13.796 5.054 -10.271 1.00 0.00 C ATOM 776 O GLY A 52 -14.724 5.405 -9.540 1.00 0.00 O ATOM 0 H GLY A 52 -11.419 5.027 -11.820 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -13.387 7.042 -10.942 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -13.578 5.873 -12.233 1.00 0.00 H new ATOM 780 N ASN A 53 -13.272 3.863 -10.228 1.00 0.00 N ATOM 781 CA ASN A 53 -13.788 2.808 -9.370 1.00 0.00 C ATOM 782 C ASN A 53 -12.859 2.638 -8.207 1.00 0.00 C ATOM 783 O ASN A 53 -11.653 2.854 -8.351 1.00 0.00 O ATOM 784 CB ASN A 53 -13.852 1.466 -10.129 1.00 0.00 C ATOM 785 CG ASN A 53 -14.752 1.491 -11.343 1.00 0.00 C ATOM 786 OD1 ASN A 53 -14.320 1.840 -12.448 1.00 0.00 O ATOM 787 ND2 ASN A 53 -15.983 1.115 -11.172 1.00 0.00 N ATOM 0 H ASN A 53 -12.467 3.583 -10.788 1.00 0.00 H new ATOM 0 HA ASN A 53 -14.790 3.085 -9.042 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -12.845 1.188 -10.441 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.200 0.690 -9.447 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -16.627 1.101 -11.963 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -16.306 0.833 -10.247 1.00 0.00 H new ATOM 794 N ARG A 54 -13.388 2.265 -7.061 1.00 0.00 N ATOM 795 CA ARG A 54 -12.538 1.993 -5.925 1.00 0.00 C ATOM 796 C ARG A 54 -11.936 0.624 -6.084 1.00 0.00 C ATOM 797 O ARG A 54 -12.612 -0.324 -6.481 1.00 0.00 O ATOM 798 CB ARG A 54 -13.277 2.029 -4.581 1.00 0.00 C ATOM 799 CG ARG A 54 -13.842 3.365 -4.144 1.00 0.00 C ATOM 800 CD ARG A 54 -14.417 3.229 -2.741 1.00 0.00 C ATOM 801 NE ARG A 54 -15.011 4.460 -2.231 1.00 0.00 N ATOM 802 CZ ARG A 54 -15.658 4.563 -1.063 1.00 0.00 C ATOM 803 NH1 ARG A 54 -15.839 3.478 -0.297 1.00 0.00 N ATOM 804 NH2 ARG A 54 -16.128 5.739 -0.667 1.00 0.00 N ATOM 0 H ARG A 54 -14.387 2.145 -6.894 1.00 0.00 H new ATOM 0 HA ARG A 54 -11.784 2.780 -5.907 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -14.097 1.312 -4.626 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.592 1.681 -3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.062 4.126 -4.158 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.617 3.690 -4.838 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.173 2.444 -2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.626 2.909 -2.063 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.928 5.300 -2.803 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.484 2.572 -0.603 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.332 3.558 0.592 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -15.996 6.564 -1.252 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.621 5.818 0.223 1.00 0.00 H new ATOM 818 N THR A 55 -10.700 0.536 -5.815 1.00 0.00 N ATOM 819 CA THR A 55 -9.988 -0.691 -5.803 1.00 0.00 C ATOM 820 C THR A 55 -9.510 -0.813 -4.380 1.00 0.00 C ATOM 821 O THR A 55 -9.423 0.217 -3.701 1.00 0.00 O ATOM 822 CB THR A 55 -8.795 -0.587 -6.758 1.00 0.00 C ATOM 823 OG1 THR A 55 -9.261 0.008 -7.989 1.00 0.00 O ATOM 824 CG2 THR A 55 -8.241 -1.970 -7.066 1.00 0.00 C ATOM 0 H THR A 55 -10.122 1.345 -5.586 1.00 0.00 H new ATOM 0 HA THR A 55 -10.585 -1.547 -6.117 1.00 0.00 H new ATOM 0 HB THR A 55 -8.010 0.014 -6.299 1.00 0.00 H new ATOM 0 HG1 THR A 55 -8.513 0.087 -8.618 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.394 -1.879 -7.746 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.915 -2.446 -6.141 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.017 -2.577 -7.532 1.00 0.00 H new ATOM 832 N VAL A 56 -9.276 -1.985 -3.864 1.00 0.00 N ATOM 833 CA VAL A 56 -8.856 -1.999 -2.498 1.00 0.00 C ATOM 834 C VAL A 56 -7.420 -1.851 -2.306 1.00 0.00 C ATOM 835 O VAL A 56 -7.015 -0.774 -1.893 1.00 0.00 O ATOM 836 CB VAL A 56 -9.340 -3.128 -1.607 1.00 0.00 C ATOM 837 CG1 VAL A 56 -8.920 -2.822 -0.159 1.00 0.00 C ATOM 838 CG2 VAL A 56 -10.792 -3.215 -1.670 1.00 0.00 C ATOM 0 H VAL A 56 -9.361 -2.887 -4.332 1.00 0.00 H new ATOM 0 HA VAL A 56 -9.383 -1.106 -2.164 1.00 0.00 H new ATOM 0 HB VAL A 56 -8.907 -4.072 -1.939 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -9.260 -3.624 0.496 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.834 -2.744 -0.104 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -9.368 -1.880 0.158 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -11.136 -4.027 -1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.228 -2.275 -1.331 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.101 -3.408 -2.697 1.00 0.00 H new ATOM 848 N PRO A 57 -6.561 -2.882 -2.619 1.00 0.00 N ATOM 849 CA PRO A 57 -5.274 -2.855 -2.094 1.00 0.00 C ATOM 850 C PRO A 57 -4.374 -1.833 -2.799 1.00 0.00 C ATOM 851 O PRO A 57 -3.714 -2.106 -3.819 1.00 0.00 O ATOM 852 CB PRO A 57 -4.759 -4.270 -2.171 1.00 0.00 C ATOM 853 CG PRO A 57 -5.464 -4.853 -3.357 1.00 0.00 C ATOM 854 CD PRO A 57 -6.724 -4.023 -3.570 1.00 0.00 C ATOM 0 HA PRO A 57 -5.277 -2.515 -1.058 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -3.677 -4.294 -2.300 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -4.984 -4.826 -1.261 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -4.826 -4.821 -4.240 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.715 -5.899 -3.182 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -6.806 -3.677 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -7.624 -4.599 -3.354 1.00 0.00 H new ATOM 862 N THR A 58 -4.428 -0.678 -2.282 1.00 0.00 N ATOM 863 CA THR A 58 -3.794 0.441 -2.796 1.00 0.00 C ATOM 864 C THR A 58 -2.840 0.935 -1.727 1.00 0.00 C ATOM 865 O THR A 58 -3.213 1.041 -0.552 1.00 0.00 O ATOM 866 CB THR A 58 -4.893 1.485 -3.090 1.00 0.00 C ATOM 867 OG1 THR A 58 -5.909 0.884 -3.922 1.00 0.00 O ATOM 868 CG2 THR A 58 -4.357 2.721 -3.777 1.00 0.00 C ATOM 0 H THR A 58 -4.954 -0.483 -1.430 1.00 0.00 H new ATOM 0 HA THR A 58 -3.236 0.241 -3.711 1.00 0.00 H new ATOM 0 HB THR A 58 -5.307 1.799 -2.132 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.471 0.294 -3.377 1.00 0.00 H new ATOM 0 HG21 THR A 58 -5.174 3.419 -3.959 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.609 3.195 -3.142 1.00 0.00 H new ATOM 0 HG23 THR A 58 -3.901 2.441 -4.727 1.00 0.00 H new ATOM 876 N VAL A 59 -1.632 1.175 -2.103 1.00 0.00 N ATOM 877 CA VAL A 59 -0.627 1.583 -1.173 1.00 0.00 C ATOM 878 C VAL A 59 -0.129 2.981 -1.494 1.00 0.00 C ATOM 879 O VAL A 59 0.113 3.320 -2.651 1.00 0.00 O ATOM 880 CB VAL A 59 0.551 0.559 -1.130 1.00 0.00 C ATOM 881 CG1 VAL A 59 1.096 0.299 -2.512 1.00 0.00 C ATOM 882 CG2 VAL A 59 1.660 1.018 -0.191 1.00 0.00 C ATOM 0 H VAL A 59 -1.308 1.095 -3.067 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.078 1.608 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 59 0.152 -0.377 -0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.915 -0.418 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.306 -0.106 -3.145 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.462 1.232 -2.940 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.462 0.280 -0.187 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.051 1.977 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.261 1.126 0.818 1.00 0.00 H new ATOM 892 N LYS A 60 -0.056 3.789 -0.488 1.00 0.00 N ATOM 893 CA LYS A 60 0.489 5.102 -0.588 1.00 0.00 C ATOM 894 C LYS A 60 1.839 5.083 0.101 1.00 0.00 C ATOM 895 O LYS A 60 1.930 4.793 1.308 1.00 0.00 O ATOM 896 CB LYS A 60 -0.443 6.107 0.088 1.00 0.00 C ATOM 897 CG LYS A 60 -0.024 7.555 -0.042 1.00 0.00 C ATOM 898 CD LYS A 60 -0.987 8.450 0.716 1.00 0.00 C ATOM 899 CE LYS A 60 -0.708 9.914 0.469 1.00 0.00 C ATOM 900 NZ LYS A 60 0.658 10.314 0.867 1.00 0.00 N ATOM 0 H LYS A 60 -0.381 3.548 0.448 1.00 0.00 H new ATOM 0 HA LYS A 60 0.599 5.400 -1.631 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -1.442 5.994 -0.334 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -0.514 5.859 1.147 1.00 0.00 H new ATOM 0 HG2 LYS A 60 0.986 7.685 0.346 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -0.001 7.841 -1.093 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.009 8.220 0.416 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -0.913 8.241 1.783 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -0.851 10.133 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -1.432 10.515 1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 0.755 11.346 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 0.831 10.025 1.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 1.351 9.852 0.244 1.00 0.00 H new ATOM 914 N PHE A 61 2.872 5.327 -0.648 1.00 0.00 N ATOM 915 CA PHE A 61 4.206 5.335 -0.109 1.00 0.00 C ATOM 916 C PHE A 61 4.545 6.704 0.419 1.00 0.00 C ATOM 917 O PHE A 61 3.987 7.707 -0.037 1.00 0.00 O ATOM 918 CB PHE A 61 5.241 4.908 -1.163 1.00 0.00 C ATOM 919 CG PHE A 61 5.189 3.450 -1.531 1.00 0.00 C ATOM 920 CD1 PHE A 61 4.362 2.997 -2.542 1.00 0.00 C ATOM 921 CD2 PHE A 61 5.978 2.533 -0.857 1.00 0.00 C ATOM 922 CE1 PHE A 61 4.327 1.658 -2.872 1.00 0.00 C ATOM 923 CE2 PHE A 61 5.942 1.195 -1.185 1.00 0.00 C ATOM 924 CZ PHE A 61 5.114 0.758 -2.193 1.00 0.00 C ATOM 0 H PHE A 61 2.819 5.526 -1.647 1.00 0.00 H new ATOM 0 HA PHE A 61 4.239 4.614 0.708 1.00 0.00 H new ATOM 0 HB2 PHE A 61 5.091 5.503 -2.064 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.238 5.141 -0.790 1.00 0.00 H new ATOM 0 HD1 PHE A 61 3.738 3.697 -3.078 1.00 0.00 H new ATOM 0 HD2 PHE A 61 6.630 2.871 -0.065 1.00 0.00 H new ATOM 0 HE1 PHE A 61 3.680 1.316 -3.666 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.563 0.491 -0.652 1.00 0.00 H new ATOM 0 HZ PHE A 61 5.082 -0.290 -2.451 1.00 0.00 H new ATOM 934 N ALA A 62 5.477 6.747 1.366 1.00 0.00 N ATOM 935 CA ALA A 62 5.955 7.993 1.975 1.00 0.00 C ATOM 936 C ALA A 62 6.571 8.928 0.933 1.00 0.00 C ATOM 937 O ALA A 62 6.639 10.130 1.128 1.00 0.00 O ATOM 938 CB ALA A 62 6.966 7.684 3.065 1.00 0.00 C ATOM 0 H ALA A 62 5.929 5.912 1.739 1.00 0.00 H new ATOM 0 HA ALA A 62 5.097 8.503 2.412 1.00 0.00 H new ATOM 0 HB1 ALA A 62 7.316 8.615 3.512 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.497 7.067 3.832 1.00 0.00 H new ATOM 0 HB3 ALA A 62 7.812 7.148 2.635 1.00 0.00 H new ATOM 944 N ASP A 63 6.982 8.357 -0.191 1.00 0.00 N ATOM 945 CA ASP A 63 7.571 9.122 -1.297 1.00 0.00 C ATOM 946 C ASP A 63 6.479 9.937 -2.020 1.00 0.00 C ATOM 947 O ASP A 63 6.762 10.858 -2.772 1.00 0.00 O ATOM 948 CB ASP A 63 8.274 8.170 -2.278 1.00 0.00 C ATOM 949 CG ASP A 63 9.082 8.877 -3.356 1.00 0.00 C ATOM 950 OD1 ASP A 63 10.291 9.130 -3.148 1.00 0.00 O ATOM 951 OD2 ASP A 63 8.540 9.159 -4.437 1.00 0.00 O ATOM 0 H ASP A 63 6.920 7.354 -0.368 1.00 0.00 H new ATOM 0 HA ASP A 63 8.310 9.816 -0.896 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.936 7.510 -1.717 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.525 7.539 -2.756 1.00 0.00 H new ATOM 956 N GLY A 64 5.222 9.604 -1.750 1.00 0.00 N ATOM 957 CA GLY A 64 4.112 10.331 -2.327 1.00 0.00 C ATOM 958 C GLY A 64 3.356 9.528 -3.357 1.00 0.00 C ATOM 959 O GLY A 64 2.203 9.818 -3.647 1.00 0.00 O ATOM 0 H GLY A 64 4.953 8.836 -1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.428 10.630 -1.533 1.00 0.00 H new ATOM 0 HA3 GLY A 64 4.484 11.246 -2.788 1.00 0.00 H new ATOM 963 N SER A 65 4.001 8.516 -3.885 1.00 0.00 N ATOM 964 CA SER A 65 3.431 7.680 -4.919 1.00 0.00 C ATOM 965 C SER A 65 2.316 6.784 -4.371 1.00 0.00 C ATOM 966 O SER A 65 2.420 6.260 -3.247 1.00 0.00 O ATOM 967 CB SER A 65 4.535 6.801 -5.477 1.00 0.00 C ATOM 968 OG SER A 65 5.680 7.577 -5.781 1.00 0.00 O ATOM 0 H SER A 65 4.945 8.245 -3.608 1.00 0.00 H new ATOM 0 HA SER A 65 3.001 8.321 -5.689 1.00 0.00 H new ATOM 0 HB2 SER A 65 4.794 6.028 -4.753 1.00 0.00 H new ATOM 0 HB3 SER A 65 4.184 6.292 -6.375 1.00 0.00 H new ATOM 0 HG SER A 65 6.384 6.996 -6.138 1.00 0.00 H new ATOM 974 N THR A 66 1.263 6.628 -5.138 1.00 0.00 N ATOM 975 CA THR A 66 0.225 5.708 -4.804 1.00 0.00 C ATOM 976 C THR A 66 0.216 4.605 -5.856 1.00 0.00 C ATOM 977 O THR A 66 0.365 4.879 -7.060 1.00 0.00 O ATOM 978 CB THR A 66 -1.146 6.420 -4.782 1.00 0.00 C ATOM 979 OG1 THR A 66 -1.319 7.170 -5.996 1.00 0.00 O ATOM 980 CG2 THR A 66 -1.263 7.354 -3.586 1.00 0.00 C ATOM 0 H THR A 66 1.111 7.139 -6.008 1.00 0.00 H new ATOM 0 HA THR A 66 0.405 5.292 -3.813 1.00 0.00 H new ATOM 0 HB THR A 66 -1.923 5.660 -4.700 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.190 7.620 -5.981 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.238 7.840 -3.598 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.155 6.781 -2.665 1.00 0.00 H new ATOM 0 HG23 THR A 66 -0.480 8.110 -3.637 1.00 0.00 H new ATOM 988 N LEU A 67 0.060 3.389 -5.423 1.00 0.00 N ATOM 989 CA LEU A 67 0.048 2.253 -6.312 1.00 0.00 C ATOM 990 C LEU A 67 -1.170 1.406 -6.064 1.00 0.00 C ATOM 991 O LEU A 67 -1.413 0.964 -4.937 1.00 0.00 O ATOM 992 CB LEU A 67 1.331 1.387 -6.190 1.00 0.00 C ATOM 993 CG LEU A 67 2.605 1.863 -6.926 1.00 0.00 C ATOM 994 CD1 LEU A 67 3.189 3.168 -6.393 1.00 0.00 C ATOM 995 CD2 LEU A 67 3.650 0.763 -6.972 1.00 0.00 C ATOM 0 H LEU A 67 -0.064 3.150 -4.439 1.00 0.00 H new ATOM 0 HA LEU A 67 0.019 2.647 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.572 1.296 -5.131 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.093 0.386 -6.550 1.00 0.00 H new ATOM 0 HG LEU A 67 2.288 2.090 -7.944 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.079 3.429 -6.965 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.450 3.963 -6.489 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.455 3.045 -5.343 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.536 1.124 -7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.921 0.475 -5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.245 -0.102 -7.498 1.00 0.00 H new ATOM 1007 N THR A 68 -1.934 1.209 -7.093 1.00 0.00 N ATOM 1008 CA THR A 68 -3.107 0.393 -7.034 1.00 0.00 C ATOM 1009 C THR A 68 -2.769 -1.021 -7.551 1.00 0.00 C ATOM 1010 O THR A 68 -2.318 -1.179 -8.701 1.00 0.00 O ATOM 1011 CB THR A 68 -4.231 1.030 -7.884 1.00 0.00 C ATOM 1012 OG1 THR A 68 -4.524 2.357 -7.390 1.00 0.00 O ATOM 1013 CG2 THR A 68 -5.489 0.188 -7.855 1.00 0.00 C ATOM 0 H THR A 68 -1.758 1.617 -8.011 1.00 0.00 H new ATOM 0 HA THR A 68 -3.455 0.319 -6.004 1.00 0.00 H new ATOM 0 HB THR A 68 -3.883 1.087 -8.916 1.00 0.00 H new ATOM 0 HG1 THR A 68 -4.677 2.961 -8.146 1.00 0.00 H new ATOM 0 HG21 THR A 68 -6.259 0.664 -8.462 1.00 0.00 H new ATOM 0 HG22 THR A 68 -5.273 -0.803 -8.254 1.00 0.00 H new ATOM 0 HG23 THR A 68 -5.842 0.096 -6.828 1.00 0.00 H new ATOM 1021 N ASN A 69 -2.938 -2.013 -6.685 1.00 0.00 N ATOM 1022 CA ASN A 69 -2.676 -3.441 -6.991 1.00 0.00 C ATOM 1023 C ASN A 69 -1.239 -3.749 -7.453 1.00 0.00 C ATOM 1024 O ASN A 69 -1.010 -4.019 -8.638 1.00 0.00 O ATOM 1025 CB ASN A 69 -3.689 -4.043 -7.999 1.00 0.00 C ATOM 1026 CG ASN A 69 -5.072 -4.280 -7.436 1.00 0.00 C ATOM 1027 OD1 ASN A 69 -5.518 -3.599 -6.526 1.00 0.00 O ATOM 1028 ND2 ASN A 69 -5.764 -5.249 -7.985 1.00 0.00 N ATOM 0 H ASN A 69 -3.266 -1.860 -5.731 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.810 -3.927 -6.025 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -3.770 -3.374 -8.856 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.295 -4.989 -8.369 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.707 -5.454 -7.653 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -5.360 -5.798 -8.744 1.00 0.00 H new ATOM 1035 N PRO A 70 -0.240 -3.614 -6.572 1.00 0.00 N ATOM 1036 CA PRO A 70 1.123 -4.050 -6.864 1.00 0.00 C ATOM 1037 C PRO A 70 1.393 -5.460 -6.289 1.00 0.00 C ATOM 1038 O PRO A 70 0.571 -6.011 -5.533 1.00 0.00 O ATOM 1039 CB PRO A 70 1.938 -3.018 -6.096 1.00 0.00 C ATOM 1040 CG PRO A 70 1.141 -2.806 -4.851 1.00 0.00 C ATOM 1041 CD PRO A 70 -0.313 -2.939 -5.256 1.00 0.00 C ATOM 0 HA PRO A 70 1.344 -4.114 -7.929 1.00 0.00 H new ATOM 0 HB2 PRO A 70 2.941 -3.382 -5.874 1.00 0.00 H new ATOM 0 HB3 PRO A 70 2.052 -2.094 -6.662 1.00 0.00 H new ATOM 0 HG2 PRO A 70 1.403 -3.542 -4.091 1.00 0.00 H new ATOM 0 HG3 PRO A 70 1.338 -1.823 -4.424 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -0.880 -3.526 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -0.801 -1.967 -5.329 1.00 0.00 H new ATOM 1049 N SER A 71 2.495 -6.050 -6.658 1.00 0.00 N ATOM 1050 CA SER A 71 2.900 -7.306 -6.081 1.00 0.00 C ATOM 1051 C SER A 71 3.830 -7.019 -4.901 1.00 0.00 C ATOM 1052 O SER A 71 4.472 -5.960 -4.862 1.00 0.00 O ATOM 1053 CB SER A 71 3.610 -8.151 -7.133 1.00 0.00 C ATOM 1054 OG SER A 71 2.872 -8.144 -8.348 1.00 0.00 O ATOM 0 H SER A 71 3.135 -5.680 -7.361 1.00 0.00 H new ATOM 0 HA SER A 71 2.030 -7.861 -5.731 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.613 -7.762 -7.306 1.00 0.00 H new ATOM 0 HB3 SER A 71 3.723 -9.174 -6.773 1.00 0.00 H new ATOM 0 HG SER A 71 3.194 -7.418 -8.922 1.00 0.00 H new ATOM 1060 N ALA A 72 3.909 -7.946 -3.957 1.00 0.00 N ATOM 1061 CA ALA A 72 4.726 -7.788 -2.755 1.00 0.00 C ATOM 1062 C ALA A 72 6.191 -7.531 -3.098 1.00 0.00 C ATOM 1063 O ALA A 72 6.865 -6.730 -2.446 1.00 0.00 O ATOM 1064 CB ALA A 72 4.592 -9.012 -1.859 1.00 0.00 C ATOM 0 H ALA A 72 3.408 -8.833 -4.000 1.00 0.00 H new ATOM 0 HA ALA A 72 4.358 -6.915 -2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.206 -8.880 -0.968 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.549 -9.136 -1.566 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.925 -9.898 -2.401 1.00 0.00 H new ATOM 1070 N ASP A 73 6.663 -8.175 -4.153 1.00 0.00 N ATOM 1071 CA ASP A 73 8.050 -8.019 -4.587 1.00 0.00 C ATOM 1072 C ASP A 73 8.289 -6.621 -5.148 1.00 0.00 C ATOM 1073 O ASP A 73 9.351 -6.015 -4.946 1.00 0.00 O ATOM 1074 CB ASP A 73 8.420 -9.064 -5.630 1.00 0.00 C ATOM 1075 CG ASP A 73 9.893 -9.034 -5.944 1.00 0.00 C ATOM 1076 OD1 ASP A 73 10.682 -9.669 -5.207 1.00 0.00 O ATOM 1077 OD2 ASP A 73 10.300 -8.368 -6.899 1.00 0.00 O ATOM 0 H ASP A 73 6.110 -8.811 -4.727 1.00 0.00 H new ATOM 0 HA ASP A 73 8.685 -8.162 -3.713 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.144 -10.054 -5.268 1.00 0.00 H new ATOM 0 HB3 ASP A 73 7.849 -8.888 -6.542 1.00 0.00 H new ATOM 1082 N GLU A 74 7.277 -6.094 -5.823 1.00 0.00 N ATOM 1083 CA GLU A 74 7.339 -4.757 -6.391 1.00 0.00 C ATOM 1084 C GLU A 74 7.392 -3.736 -5.266 1.00 0.00 C ATOM 1085 O GLU A 74 8.075 -2.718 -5.364 1.00 0.00 O ATOM 1086 CB GLU A 74 6.126 -4.488 -7.286 1.00 0.00 C ATOM 1087 CG GLU A 74 6.008 -5.402 -8.494 1.00 0.00 C ATOM 1088 CD GLU A 74 4.773 -5.096 -9.313 1.00 0.00 C ATOM 1089 OE1 GLU A 74 4.828 -4.209 -10.189 1.00 0.00 O ATOM 1090 OE2 GLU A 74 3.719 -5.719 -9.076 1.00 0.00 O ATOM 0 H GLU A 74 6.395 -6.579 -5.991 1.00 0.00 H new ATOM 0 HA GLU A 74 8.237 -4.676 -7.004 1.00 0.00 H new ATOM 0 HB2 GLU A 74 5.221 -4.584 -6.686 1.00 0.00 H new ATOM 0 HB3 GLU A 74 6.170 -3.456 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.894 -5.294 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 74 5.976 -6.440 -8.163 1.00 0.00 H new ATOM 1097 N VAL A 75 6.671 -4.030 -4.201 1.00 0.00 N ATOM 1098 CA VAL A 75 6.648 -3.197 -3.015 1.00 0.00 C ATOM 1099 C VAL A 75 8.025 -3.208 -2.338 1.00 0.00 C ATOM 1100 O VAL A 75 8.569 -2.156 -2.005 1.00 0.00 O ATOM 1101 CB VAL A 75 5.547 -3.674 -2.025 1.00 0.00 C ATOM 1102 CG1 VAL A 75 5.546 -2.851 -0.757 1.00 0.00 C ATOM 1103 CG2 VAL A 75 4.181 -3.605 -2.682 1.00 0.00 C ATOM 0 H VAL A 75 6.081 -4.859 -4.134 1.00 0.00 H new ATOM 0 HA VAL A 75 6.412 -2.176 -3.313 1.00 0.00 H new ATOM 0 HB VAL A 75 5.770 -4.707 -1.759 1.00 0.00 H new ATOM 0 HG11 VAL A 75 4.764 -3.213 -0.089 1.00 0.00 H new ATOM 0 HG12 VAL A 75 6.514 -2.941 -0.264 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.359 -1.805 -1.002 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.421 -3.942 -1.977 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.971 -2.577 -2.978 1.00 0.00 H new ATOM 0 HG23 VAL A 75 4.168 -4.246 -3.563 1.00 0.00 H new ATOM 1113 N LYS A 76 8.592 -4.400 -2.183 1.00 0.00 N ATOM 1114 CA LYS A 76 9.921 -4.587 -1.590 1.00 0.00 C ATOM 1115 C LYS A 76 10.992 -3.734 -2.293 1.00 0.00 C ATOM 1116 O LYS A 76 11.822 -3.091 -1.634 1.00 0.00 O ATOM 1117 CB LYS A 76 10.302 -6.079 -1.608 1.00 0.00 C ATOM 1118 CG LYS A 76 11.762 -6.362 -1.280 1.00 0.00 C ATOM 1119 CD LYS A 76 12.055 -7.849 -1.288 1.00 0.00 C ATOM 1120 CE LYS A 76 13.544 -8.121 -1.179 1.00 0.00 C ATOM 1121 NZ LYS A 76 14.277 -7.650 -2.380 1.00 0.00 N ATOM 0 H LYS A 76 8.144 -5.272 -2.465 1.00 0.00 H new ATOM 0 HA LYS A 76 9.877 -4.247 -0.555 1.00 0.00 H new ATOM 0 HB2 LYS A 76 9.673 -6.610 -0.894 1.00 0.00 H new ATOM 0 HB3 LYS A 76 10.079 -6.486 -2.594 1.00 0.00 H new ATOM 0 HG2 LYS A 76 12.403 -5.860 -2.005 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.003 -5.948 -0.301 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.534 -8.328 -0.459 1.00 0.00 H new ATOM 0 HD3 LYS A 76 11.669 -8.292 -2.206 1.00 0.00 H new ATOM 0 HE2 LYS A 76 13.941 -7.625 -0.293 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.710 -9.190 -1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 15.210 -8.108 -2.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.736 -7.893 -3.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 14.400 -6.618 -2.330 1.00 0.00 H new ATOM 1135 N ALA A 77 10.931 -3.692 -3.615 1.00 0.00 N ATOM 1136 CA ALA A 77 11.874 -2.911 -4.423 1.00 0.00 C ATOM 1137 C ALA A 77 11.686 -1.407 -4.203 1.00 0.00 C ATOM 1138 O ALA A 77 12.570 -0.607 -4.497 1.00 0.00 O ATOM 1139 CB ALA A 77 11.742 -3.271 -5.895 1.00 0.00 C ATOM 0 H ALA A 77 10.232 -4.194 -4.163 1.00 0.00 H new ATOM 0 HA ALA A 77 12.884 -3.163 -4.099 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.449 -2.682 -6.479 1.00 0.00 H new ATOM 0 HB2 ALA A 77 11.954 -4.331 -6.031 1.00 0.00 H new ATOM 0 HB3 ALA A 77 10.727 -3.058 -6.232 1.00 0.00 H new ATOM 1145 N LYS A 78 10.534 -1.023 -3.711 1.00 0.00 N ATOM 1146 CA LYS A 78 10.299 0.355 -3.384 1.00 0.00 C ATOM 1147 C LYS A 78 10.823 0.658 -1.991 1.00 0.00 C ATOM 1148 O LYS A 78 11.414 1.691 -1.788 1.00 0.00 O ATOM 1149 CB LYS A 78 8.823 0.734 -3.515 1.00 0.00 C ATOM 1150 CG LYS A 78 8.271 0.625 -4.930 1.00 0.00 C ATOM 1151 CD LYS A 78 8.924 1.629 -5.876 1.00 0.00 C ATOM 1152 CE LYS A 78 8.421 1.471 -7.313 1.00 0.00 C ATOM 1153 NZ LYS A 78 6.955 1.613 -7.424 1.00 0.00 N ATOM 0 H LYS A 78 9.748 -1.647 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 78 10.843 0.966 -4.104 1.00 0.00 H new ATOM 0 HB2 LYS A 78 8.236 0.093 -2.858 1.00 0.00 H new ATOM 0 HB3 LYS A 78 8.690 1.757 -3.164 1.00 0.00 H new ATOM 0 HG2 LYS A 78 8.433 -0.385 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 78 7.194 0.790 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 78 8.718 2.642 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 78 10.006 1.498 -5.854 1.00 0.00 H new ATOM 0 HE2 LYS A 78 8.903 2.216 -7.946 1.00 0.00 H new ATOM 0 HE3 LYS A 78 8.717 0.492 -7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 6.701 1.836 -8.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 6.498 0.723 -7.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 6.632 2.381 -6.801 1.00 0.00 H new ATOM 1167 N LEU A 79 10.641 -0.272 -1.044 1.00 0.00 N ATOM 1168 CA LEU A 79 11.129 -0.078 0.354 1.00 0.00 C ATOM 1169 C LEU A 79 12.608 0.188 0.401 1.00 0.00 C ATOM 1170 O LEU A 79 13.067 1.036 1.164 1.00 0.00 O ATOM 1171 CB LEU A 79 10.808 -1.266 1.299 1.00 0.00 C ATOM 1172 CG LEU A 79 9.433 -1.328 2.003 1.00 0.00 C ATOM 1173 CD1 LEU A 79 9.252 -0.206 3.022 1.00 0.00 C ATOM 1174 CD2 LEU A 79 8.312 -1.334 1.004 1.00 0.00 C ATOM 0 H LEU A 79 10.167 -1.161 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 79 10.583 0.794 0.713 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.921 -2.183 0.721 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.573 -1.282 2.075 1.00 0.00 H new ATOM 0 HG LEU A 79 9.403 -2.267 2.555 1.00 0.00 H new ATOM 0 HD11 LEU A 79 8.271 -0.293 3.489 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.026 -0.280 3.786 1.00 0.00 H new ATOM 0 HD13 LEU A 79 9.330 0.758 2.519 1.00 0.00 H new ATOM 0 HD21 LEU A 79 7.357 -1.378 1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 79 8.355 -0.425 0.404 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.409 -2.203 0.353 1.00 0.00 H new ATOM 1186 N VAL A 80 13.345 -0.526 -0.399 1.00 0.00 N ATOM 1187 CA VAL A 80 14.776 -0.369 -0.442 1.00 0.00 C ATOM 1188 C VAL A 80 15.172 1.048 -0.922 1.00 0.00 C ATOM 1189 O VAL A 80 16.104 1.671 -0.372 1.00 0.00 O ATOM 1190 CB VAL A 80 15.446 -1.488 -1.299 1.00 0.00 C ATOM 1191 CG1 VAL A 80 15.204 -2.851 -0.671 1.00 0.00 C ATOM 1192 CG2 VAL A 80 14.924 -1.486 -2.714 1.00 0.00 C ATOM 0 H VAL A 80 12.977 -1.231 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 80 15.154 -0.479 0.574 1.00 0.00 H new ATOM 0 HB VAL A 80 16.516 -1.284 -1.327 1.00 0.00 H new ATOM 0 HG11 VAL A 80 15.677 -3.621 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 80 15.629 -2.870 0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 80 14.132 -3.041 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 80 15.412 -2.278 -3.283 1.00 0.00 H new ATOM 0 HG22 VAL A 80 13.847 -1.656 -2.705 1.00 0.00 H new ATOM 0 HG23 VAL A 80 15.135 -0.523 -3.178 1.00 0.00 H new ATOM 1202 N LYS A 81 14.451 1.554 -1.918 1.00 0.00 N ATOM 1203 CA LYS A 81 14.718 2.862 -2.464 1.00 0.00 C ATOM 1204 C LYS A 81 14.086 4.028 -1.673 1.00 0.00 C ATOM 1205 O LYS A 81 14.796 4.919 -1.219 1.00 0.00 O ATOM 1206 CB LYS A 81 14.426 2.944 -3.977 1.00 0.00 C ATOM 1207 CG LYS A 81 12.979 2.736 -4.379 1.00 0.00 C ATOM 1208 CD LYS A 81 12.776 2.869 -5.888 1.00 0.00 C ATOM 1209 CE LYS A 81 13.157 4.260 -6.398 1.00 0.00 C ATOM 1210 NZ LYS A 81 12.915 4.403 -7.840 1.00 0.00 N ATOM 0 H LYS A 81 13.672 1.066 -2.360 1.00 0.00 H new ATOM 0 HA LYS A 81 15.793 2.997 -2.341 1.00 0.00 H new ATOM 0 HB2 LYS A 81 14.747 3.921 -4.338 1.00 0.00 H new ATOM 0 HB3 LYS A 81 15.036 2.199 -4.487 1.00 0.00 H new ATOM 0 HG2 LYS A 81 12.652 1.748 -4.055 1.00 0.00 H new ATOM 0 HG3 LYS A 81 12.352 3.464 -3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 81 13.376 2.118 -6.402 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.733 2.666 -6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 81 12.584 5.014 -5.858 1.00 0.00 H new ATOM 0 HE3 LYS A 81 14.210 4.448 -6.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 13.186 5.360 -8.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.481 3.701 -8.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 11.906 4.250 -8.040 1.00 0.00 H new ATOM 1224 N ILE A 82 12.769 3.981 -1.454 1.00 0.00 N ATOM 1225 CA ILE A 82 12.036 5.130 -0.893 1.00 0.00 C ATOM 1226 C ILE A 82 12.373 5.433 0.553 1.00 0.00 C ATOM 1227 O ILE A 82 12.097 6.522 1.051 1.00 0.00 O ATOM 1228 CB ILE A 82 10.471 5.093 -1.149 1.00 0.00 C ATOM 1229 CG1 ILE A 82 9.742 3.867 -0.524 1.00 0.00 C ATOM 1230 CG2 ILE A 82 10.184 5.144 -2.642 1.00 0.00 C ATOM 1231 CD1 ILE A 82 9.572 3.885 0.985 1.00 0.00 C ATOM 0 H ILE A 82 12.187 3.167 -1.654 1.00 0.00 H new ATOM 0 HA ILE A 82 12.410 5.975 -1.471 1.00 0.00 H new ATOM 0 HB ILE A 82 10.073 5.973 -0.644 1.00 0.00 H new ATOM 0 HG12 ILE A 82 8.755 3.787 -0.979 1.00 0.00 H new ATOM 0 HG13 ILE A 82 10.292 2.966 -0.796 1.00 0.00 H new ATOM 0 HG21 ILE A 82 9.107 5.118 -2.807 1.00 0.00 H new ATOM 0 HG22 ILE A 82 10.593 6.064 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 82 10.646 4.287 -3.131 1.00 0.00 H new ATOM 0 HD11 ILE A 82 9.052 2.982 1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 82 10.552 3.926 1.461 1.00 0.00 H new ATOM 0 HD13 ILE A 82 8.990 4.760 1.275 1.00 0.00 H new ATOM 1243 N ALA A 83 12.974 4.478 1.225 1.00 0.00 N ATOM 1244 CA ALA A 83 13.384 4.672 2.597 1.00 0.00 C ATOM 1245 C ALA A 83 14.692 5.439 2.648 1.00 0.00 C ATOM 1246 O ALA A 83 15.100 5.916 3.712 1.00 0.00 O ATOM 1247 CB ALA A 83 13.539 3.343 3.301 1.00 0.00 C ATOM 0 H ALA A 83 13.190 3.557 0.843 1.00 0.00 H new ATOM 0 HA ALA A 83 12.612 5.248 3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 83 13.848 3.512 4.333 1.00 0.00 H new ATOM 0 HB2 ALA A 83 12.587 2.812 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 83 14.294 2.746 2.789 1.00 0.00 H new