USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 693 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 94 SER OG : rot -165:sc= 0.58 USER MOD Set 1.2: A 98 ASN : amide:sc= -2.95! C(o=-2.4!,f=-4.2!) USER MOD Set 2.1: A 75 HIS : no HD1:sc= -0.561 K(o=-1.1,f=-1.7) USER MOD Set 2.2: A 76 ASN : amide:sc= -0.542 K(o=-1.1,f=-5.3!) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 95:sc= 0.217 USER MOD Single : A 12 LYS NZ :NH3+ -132:sc= -0.187 (180deg=-1.16) USER MOD Single : A 13 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000918) USER MOD Single : A 15 TYR OH : rot 180:sc=-0.00235 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 164:sc= -0.0255 (180deg=-0.226) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 62:sc= -0.489 USER MOD Single : A 33 SER OG : rot 180:sc= -0.314 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN :FLIP amide:sc= -0.322 F(o=-1,f=-0.32) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 ASN :FLIP amide:sc= -4.63! C(o=-5.3!,f=-4.6!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 CYS SG : rot 4:sc= -1.04 USER MOD Single : A 59 GLN : amide:sc= -0.045 X(o=-0.045,f=0) USER MOD Single : A 61 LYS NZ :NH3+ 164:sc= -0.0222 (180deg=-0.212) USER MOD Single : A 63 ASN : amide:sc= -1.04! C(o=-1!,f=-12!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 143:sc= -0.842 (180deg=-2.91!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 104:sc= 0.884 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HE2:sc= 0.862 K(o=0.86,f=-3.1!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 30:sc= 0 USER MOD Single : A 97 THR OG1 : rot 105:sc= 1.21 USER MOD Single : A 99 SER OG : rot 93:sc= 0.588 USER MOD Single : A 100 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000279) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N TYR A 8 -14.014 -3.456 4.042 1.00 0.00 N ATOM 67 CA TYR A 8 -12.973 -4.372 4.494 1.00 0.00 C ATOM 68 C TYR A 8 -12.067 -3.702 5.523 1.00 0.00 C ATOM 69 O TYR A 8 -11.809 -4.254 6.592 1.00 0.00 O ATOM 70 CB TYR A 8 -12.142 -4.859 3.306 1.00 0.00 C ATOM 71 CG TYR A 8 -12.897 -5.780 2.375 1.00 0.00 C ATOM 72 CD1 TYR A 8 -14.048 -5.351 1.725 1.00 0.00 C ATOM 73 CD2 TYR A 8 -12.460 -7.078 2.144 1.00 0.00 C ATOM 74 CE1 TYR A 8 -14.742 -6.190 0.874 1.00 0.00 C ATOM 75 CE2 TYR A 8 -13.147 -7.923 1.294 1.00 0.00 C ATOM 76 CZ TYR A 8 -14.287 -7.474 0.661 1.00 0.00 C ATOM 77 OH TYR A 8 -14.975 -8.312 -0.187 1.00 0.00 O ATOM 0 HA TYR A 8 -13.457 -5.228 4.965 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -11.789 -3.996 2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -11.259 -5.378 3.679 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -14.406 -4.345 1.888 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -11.567 -7.433 2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -15.636 -5.842 0.378 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -12.793 -8.930 1.126 1.00 0.00 H new ATOM 0 HH TYR A 8 -14.522 -9.180 -0.228 1.00 0.00 H new ATOM 87 N GLY A 9 -11.588 -2.507 5.191 1.00 0.00 N ATOM 88 CA GLY A 9 -10.717 -1.780 6.095 1.00 0.00 C ATOM 89 C GLY A 9 -9.331 -1.567 5.519 1.00 0.00 C ATOM 90 O GLY A 9 -8.774 -2.458 4.877 1.00 0.00 O ATOM 0 H GLY A 9 -11.788 -2.030 4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -11.164 -0.813 6.326 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.636 -2.326 7.035 1.00 0.00 H new ATOM 94 N SER A 10 -8.773 -0.382 5.747 1.00 0.00 N ATOM 95 CA SER A 10 -7.446 -0.053 5.241 1.00 0.00 C ATOM 96 C SER A 10 -6.362 -0.552 6.192 1.00 0.00 C ATOM 97 O SER A 10 -5.276 0.022 6.268 1.00 0.00 O ATOM 98 CB SER A 10 -7.312 1.459 5.046 1.00 0.00 C ATOM 99 OG SER A 10 -8.062 2.167 6.018 1.00 0.00 O ATOM 0 H SER A 10 -9.219 0.365 6.279 1.00 0.00 H new ATOM 0 HA SER A 10 -7.318 -0.550 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 10 -6.262 1.746 5.112 1.00 0.00 H new ATOM 0 HB3 SER A 10 -7.655 1.732 4.048 1.00 0.00 H new ATOM 0 HG SER A 10 -7.480 2.409 6.768 1.00 0.00 H new ATOM 105 N GLU A 11 -6.667 -1.625 6.915 1.00 0.00 N ATOM 106 CA GLU A 11 -5.720 -2.201 7.862 1.00 0.00 C ATOM 107 C GLU A 11 -6.049 -3.666 8.138 1.00 0.00 C ATOM 108 O GLU A 11 -7.188 -4.009 8.458 1.00 0.00 O ATOM 109 CB GLU A 11 -5.728 -1.410 9.172 1.00 0.00 C ATOM 110 CG GLU A 11 -5.165 -0.005 9.037 1.00 0.00 C ATOM 111 CD GLU A 11 -6.220 1.011 8.644 1.00 0.00 C ATOM 112 OE1 GLU A 11 -7.422 0.707 8.796 1.00 0.00 O ATOM 113 OE2 GLU A 11 -5.844 2.109 8.184 1.00 0.00 O ATOM 0 H GLU A 11 -7.562 -2.112 6.863 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.725 -2.147 7.419 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.751 -1.348 9.543 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -5.150 -1.954 9.919 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.713 0.294 9.983 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.371 -0.006 8.290 1.00 0.00 H new ATOM 120 N LYS A 12 -5.044 -4.526 8.012 1.00 0.00 N ATOM 121 CA LYS A 12 -5.224 -5.953 8.247 1.00 0.00 C ATOM 122 C LYS A 12 -3.880 -6.672 8.289 1.00 0.00 C ATOM 123 O LYS A 12 -2.905 -6.224 7.684 1.00 0.00 O ATOM 124 CB LYS A 12 -6.107 -6.564 7.157 1.00 0.00 C ATOM 125 CG LYS A 12 -5.868 -8.048 6.940 1.00 0.00 C ATOM 126 CD LYS A 12 -6.699 -8.585 5.787 1.00 0.00 C ATOM 127 CE LYS A 12 -6.041 -9.795 5.141 1.00 0.00 C ATOM 128 NZ LYS A 12 -7.029 -10.648 4.425 1.00 0.00 N ATOM 0 H LYS A 12 -4.096 -4.259 7.748 1.00 0.00 H new ATOM 0 HA LYS A 12 -5.713 -6.077 9.213 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.153 -6.408 7.419 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -5.931 -6.036 6.220 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -4.811 -8.221 6.739 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -6.113 -8.594 7.851 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.690 -8.858 6.148 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -6.836 -7.802 5.041 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.275 -9.461 4.441 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.538 -10.386 5.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.888 -11.643 4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.993 -10.353 4.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -6.897 -10.545 3.399 1.00 0.00 H new ATOM 142 N LYS A 13 -3.833 -7.790 9.005 1.00 0.00 N ATOM 143 CA LYS A 13 -2.609 -8.573 9.124 1.00 0.00 C ATOM 144 C LYS A 13 -2.916 -10.067 9.121 1.00 0.00 C ATOM 145 O LYS A 13 -4.075 -10.472 9.192 1.00 0.00 O ATOM 146 CB LYS A 13 -1.861 -8.198 10.406 1.00 0.00 C ATOM 147 CG LYS A 13 -2.504 -8.746 11.667 1.00 0.00 C ATOM 148 CD LYS A 13 -3.552 -7.794 12.219 1.00 0.00 C ATOM 149 CE LYS A 13 -2.912 -6.632 12.963 1.00 0.00 C ATOM 150 NZ LYS A 13 -2.472 -7.023 14.331 1.00 0.00 N ATOM 0 H LYS A 13 -4.630 -8.175 9.512 1.00 0.00 H new ATOM 0 HA LYS A 13 -1.979 -8.348 8.264 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.837 -8.567 10.340 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -1.805 -7.112 10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -2.965 -9.710 11.452 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.737 -8.921 12.421 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -4.164 -7.412 11.402 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.219 -8.335 12.891 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.055 -6.266 12.397 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -3.623 -5.809 13.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.057 -6.199 14.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -3.290 -7.364 14.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.761 -7.779 14.264 1.00 0.00 H new ATOM 164 N GLY A 14 -1.868 -10.882 9.039 1.00 0.00 N ATOM 165 CA GLY A 14 -2.048 -12.322 9.029 1.00 0.00 C ATOM 166 C GLY A 14 -0.856 -13.051 8.441 1.00 0.00 C ATOM 167 O GLY A 14 0.289 -12.763 8.788 1.00 0.00 O ATOM 0 H GLY A 14 -0.899 -10.571 8.979 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -2.217 -12.671 10.048 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -2.941 -12.570 8.455 1.00 0.00 H new ATOM 171 N TYR A 15 -1.126 -13.999 7.550 1.00 0.00 N ATOM 172 CA TYR A 15 -0.067 -14.774 6.916 1.00 0.00 C ATOM 173 C TYR A 15 -0.305 -14.896 5.414 1.00 0.00 C ATOM 174 O TYR A 15 -1.447 -14.972 4.959 1.00 0.00 O ATOM 175 CB TYR A 15 0.021 -16.166 7.544 1.00 0.00 C ATOM 176 CG TYR A 15 0.963 -16.240 8.725 1.00 0.00 C ATOM 177 CD1 TYR A 15 0.759 -15.451 9.850 1.00 0.00 C ATOM 178 CD2 TYR A 15 2.056 -17.097 8.715 1.00 0.00 C ATOM 179 CE1 TYR A 15 1.617 -15.514 10.931 1.00 0.00 C ATOM 180 CE2 TYR A 15 2.918 -17.167 9.791 1.00 0.00 C ATOM 181 CZ TYR A 15 2.695 -16.374 10.897 1.00 0.00 C ATOM 182 OH TYR A 15 3.552 -16.441 11.972 1.00 0.00 O ATOM 0 H TYR A 15 -2.069 -14.249 7.251 1.00 0.00 H new ATOM 0 HA TYR A 15 0.876 -14.250 7.075 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.974 -16.474 7.864 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.347 -16.878 6.785 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -0.084 -14.777 9.880 1.00 0.00 H new ATOM 0 HD2 TYR A 15 2.235 -17.719 7.851 1.00 0.00 H new ATOM 0 HE1 TYR A 15 1.445 -14.893 11.798 1.00 0.00 H new ATOM 0 HE2 TYR A 15 3.763 -17.839 9.767 1.00 0.00 H new ATOM 0 HH TYR A 15 4.257 -17.096 11.788 1.00 0.00 H new ATOM 192 N LEU A 16 0.780 -14.914 4.649 1.00 0.00 N ATOM 193 CA LEU A 16 0.691 -15.027 3.197 1.00 0.00 C ATOM 194 C LEU A 16 1.824 -15.887 2.647 1.00 0.00 C ATOM 195 O LEU A 16 2.858 -16.060 3.295 1.00 0.00 O ATOM 196 CB LEU A 16 0.732 -13.639 2.554 1.00 0.00 C ATOM 197 CG LEU A 16 -0.616 -12.937 2.389 1.00 0.00 C ATOM 198 CD1 LEU A 16 -0.415 -11.479 2.005 1.00 0.00 C ATOM 199 CD2 LEU A 16 -1.467 -13.652 1.349 1.00 0.00 C ATOM 0 H LEU A 16 1.732 -14.852 5.009 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.257 -15.507 2.953 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.380 -13.001 3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.195 -13.729 1.571 1.00 0.00 H new ATOM 0 HG LEU A 16 -1.141 -12.971 3.344 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.385 -10.995 1.892 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.154 -10.973 2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.130 -11.423 1.063 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -2.423 -13.138 1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.948 -13.650 0.391 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.641 -14.680 1.666 1.00 0.00 H new ATOM 211 N LEU A 17 1.625 -16.423 1.448 1.00 0.00 N ATOM 212 CA LEU A 17 2.631 -17.264 0.809 1.00 0.00 C ATOM 213 C LEU A 17 3.604 -16.423 -0.010 1.00 0.00 C ATOM 214 O LEU A 17 3.220 -15.421 -0.614 1.00 0.00 O ATOM 215 CB LEU A 17 1.959 -18.305 -0.088 1.00 0.00 C ATOM 216 CG LEU A 17 1.053 -19.315 0.618 1.00 0.00 C ATOM 217 CD1 LEU A 17 0.560 -20.367 -0.364 1.00 0.00 C ATOM 218 CD2 LEU A 17 1.788 -19.970 1.779 1.00 0.00 C ATOM 0 H LEU A 17 0.776 -16.290 0.899 1.00 0.00 H new ATOM 0 HA LEU A 17 3.192 -17.775 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.369 -17.781 -0.840 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.737 -18.854 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 17 0.188 -18.784 1.015 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -0.083 -21.077 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.004 -19.884 -1.162 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.413 -20.895 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.128 -20.686 2.270 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.671 -20.488 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.092 -19.206 2.495 1.00 0.00 H new ATOM 230 N LYS A 18 4.867 -16.837 -0.028 1.00 0.00 N ATOM 231 CA LYS A 18 5.896 -16.124 -0.775 1.00 0.00 C ATOM 232 C LYS A 18 6.856 -17.101 -1.446 1.00 0.00 C ATOM 233 O LYS A 18 7.278 -18.087 -0.841 1.00 0.00 O ATOM 234 CB LYS A 18 6.671 -15.186 0.152 1.00 0.00 C ATOM 235 CG LYS A 18 7.592 -14.228 -0.583 1.00 0.00 C ATOM 236 CD LYS A 18 8.228 -13.226 0.366 1.00 0.00 C ATOM 237 CE LYS A 18 8.853 -12.062 -0.389 1.00 0.00 C ATOM 238 NZ LYS A 18 10.116 -12.458 -1.071 1.00 0.00 N ATOM 0 H LYS A 18 5.202 -17.663 0.467 1.00 0.00 H new ATOM 0 HA LYS A 18 5.405 -15.535 -1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.962 -14.610 0.748 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.261 -15.782 0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.372 -14.792 -1.094 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.028 -13.697 -1.350 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.474 -12.850 1.058 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.990 -13.724 0.965 1.00 0.00 H new ATOM 0 HE2 LYS A 18 8.145 -11.685 -1.127 1.00 0.00 H new ATOM 0 HE3 LYS A 18 9.055 -11.246 0.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 10.511 -11.638 -1.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 10.801 -12.794 -0.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 9.919 -13.219 -1.751 1.00 0.00 H new ATOM 252 N LYS A 19 7.199 -16.820 -2.699 1.00 0.00 N ATOM 253 CA LYS A 19 8.112 -17.672 -3.451 1.00 0.00 C ATOM 254 C LYS A 19 9.443 -17.823 -2.721 1.00 0.00 C ATOM 255 O LYS A 19 9.967 -16.860 -2.162 1.00 0.00 O ATOM 256 CB LYS A 19 8.347 -17.093 -4.848 1.00 0.00 C ATOM 257 CG LYS A 19 8.638 -18.148 -5.903 1.00 0.00 C ATOM 258 CD LYS A 19 7.364 -18.822 -6.382 1.00 0.00 C ATOM 259 CE LYS A 19 6.562 -17.911 -7.299 1.00 0.00 C ATOM 260 NZ LYS A 19 7.243 -17.701 -8.607 1.00 0.00 N ATOM 0 H LYS A 19 6.858 -16.009 -3.215 1.00 0.00 H new ATOM 0 HA LYS A 19 7.656 -18.658 -3.544 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.468 -16.523 -5.149 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.181 -16.393 -4.806 1.00 0.00 H new ATOM 0 HG2 LYS A 19 9.147 -17.687 -6.749 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.315 -18.897 -5.493 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.614 -19.742 -6.910 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.755 -19.103 -5.523 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.576 -18.343 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.408 -16.949 -6.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.565 -17.312 -9.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.032 -17.035 -8.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.608 -18.609 -8.958 1.00 0.00 H new ATOM 385 N TRP A 27 6.613 -22.436 -2.139 1.00 0.00 N ATOM 386 CA TRP A 27 5.779 -21.412 -1.520 1.00 0.00 C ATOM 387 C TRP A 27 5.844 -21.503 0.000 1.00 0.00 C ATOM 388 O TRP A 27 5.314 -22.440 0.597 1.00 0.00 O ATOM 389 CB TRP A 27 4.331 -21.550 -1.991 1.00 0.00 C ATOM 390 CG TRP A 27 4.099 -21.008 -3.369 1.00 0.00 C ATOM 391 CD1 TRP A 27 3.946 -21.729 -4.519 1.00 0.00 C ATOM 392 CD2 TRP A 27 3.997 -19.629 -3.741 1.00 0.00 C ATOM 393 NE1 TRP A 27 3.755 -20.881 -5.583 1.00 0.00 N ATOM 394 CE2 TRP A 27 3.781 -19.588 -5.132 1.00 0.00 C ATOM 395 CE3 TRP A 27 4.065 -18.425 -3.034 1.00 0.00 C ATOM 396 CZ2 TRP A 27 3.634 -18.390 -5.827 1.00 0.00 C ATOM 397 CZ3 TRP A 27 3.920 -17.238 -3.725 1.00 0.00 C ATOM 398 CH2 TRP A 27 3.705 -17.227 -5.110 1.00 0.00 C ATOM 0 HA TRP A 27 6.160 -20.437 -1.823 1.00 0.00 H new ATOM 0 HB2 TRP A 27 4.049 -22.603 -1.970 1.00 0.00 H new ATOM 0 HB3 TRP A 27 3.678 -21.031 -1.290 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.971 -22.807 -4.583 1.00 0.00 H new ATOM 0 HE1 TRP A 27 3.616 -21.168 -6.552 1.00 0.00 H new ATOM 0 HE3 TRP A 27 4.228 -18.423 -1.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 3.470 -18.379 -6.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 3.973 -16.302 -3.189 1.00 0.00 H new ATOM 0 HH2 TRP A 27 3.593 -16.282 -5.621 1.00 0.00 H new ATOM 409 N GLN A 28 6.495 -20.525 0.621 1.00 0.00 N ATOM 410 CA GLN A 28 6.627 -20.497 2.073 1.00 0.00 C ATOM 411 C GLN A 28 5.729 -19.425 2.681 1.00 0.00 C ATOM 412 O GLN A 28 5.704 -18.285 2.217 1.00 0.00 O ATOM 413 CB GLN A 28 8.083 -20.243 2.468 1.00 0.00 C ATOM 414 CG GLN A 28 9.048 -21.296 1.947 1.00 0.00 C ATOM 415 CD GLN A 28 9.092 -22.532 2.825 1.00 0.00 C ATOM 416 OE1 GLN A 28 9.578 -22.487 3.955 1.00 0.00 O ATOM 417 NE2 GLN A 28 8.585 -23.644 2.307 1.00 0.00 N ATOM 0 H GLN A 28 6.939 -19.742 0.142 1.00 0.00 H new ATOM 0 HA GLN A 28 6.316 -21.467 2.460 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.387 -19.266 2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.154 -20.203 3.555 1.00 0.00 H new ATOM 0 HG2 GLN A 28 8.756 -21.583 0.937 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.048 -20.866 1.880 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.192 -23.635 1.366 1.00 0.00 H new ATOM 0 HE22 GLN A 28 8.588 -24.507 2.850 1.00 0.00 H new ATOM 426 N ARG A 29 4.991 -19.799 3.722 1.00 0.00 N ATOM 427 CA ARG A 29 4.090 -18.870 4.392 1.00 0.00 C ATOM 428 C ARG A 29 4.848 -18.003 5.392 1.00 0.00 C ATOM 429 O ARG A 29 5.568 -18.513 6.251 1.00 0.00 O ATOM 430 CB ARG A 29 2.975 -19.635 5.108 1.00 0.00 C ATOM 431 CG ARG A 29 3.434 -20.339 6.374 1.00 0.00 C ATOM 432 CD ARG A 29 2.495 -21.473 6.753 1.00 0.00 C ATOM 433 NE ARG A 29 3.174 -22.511 7.525 1.00 0.00 N ATOM 434 CZ ARG A 29 2.680 -23.730 7.710 1.00 0.00 C ATOM 435 NH1 ARG A 29 1.511 -24.063 7.181 1.00 0.00 N ATOM 436 NH2 ARG A 29 3.357 -24.620 8.425 1.00 0.00 N ATOM 0 H ARG A 29 5.000 -20.739 4.119 1.00 0.00 H new ATOM 0 HA ARG A 29 3.649 -18.221 3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 29 2.173 -18.941 5.359 1.00 0.00 H new ATOM 0 HB3 ARG A 29 2.555 -20.373 4.424 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.440 -20.732 6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.487 -19.621 7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 29 1.662 -21.076 7.334 1.00 0.00 H new ATOM 0 HD3 ARG A 29 2.073 -21.911 5.849 1.00 0.00 H new ATOM 0 HE ARG A 29 4.076 -22.287 7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.988 -23.382 6.630 1.00 0.00 H new ATOM 0 HH12 ARG A 29 1.134 -25.000 7.325 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.257 -24.368 8.833 1.00 0.00 H new ATOM 0 HH22 ARG A 29 2.977 -25.556 8.567 1.00 0.00 H new ATOM 450 N ARG A 30 4.683 -16.689 5.274 1.00 0.00 N ATOM 451 CA ARG A 30 5.353 -15.751 6.166 1.00 0.00 C ATOM 452 C ARG A 30 4.348 -14.800 6.809 1.00 0.00 C ATOM 453 O ARG A 30 3.328 -14.459 6.210 1.00 0.00 O ATOM 454 CB ARG A 30 6.409 -14.952 5.400 1.00 0.00 C ATOM 455 CG ARG A 30 7.520 -14.408 6.283 1.00 0.00 C ATOM 456 CD ARG A 30 8.427 -15.521 6.786 1.00 0.00 C ATOM 457 NE ARG A 30 9.236 -16.095 5.714 1.00 0.00 N ATOM 458 CZ ARG A 30 8.840 -17.114 4.960 1.00 0.00 C ATOM 459 NH1 ARG A 30 7.652 -17.669 5.160 1.00 0.00 N ATOM 460 NH2 ARG A 30 9.633 -17.581 4.004 1.00 0.00 N ATOM 0 H ARG A 30 4.091 -16.250 4.569 1.00 0.00 H new ATOM 0 HA ARG A 30 5.841 -16.324 6.954 1.00 0.00 H new ATOM 0 HB2 ARG A 30 6.846 -15.588 4.631 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.923 -14.121 4.888 1.00 0.00 H new ATOM 0 HG2 ARG A 30 8.109 -13.682 5.723 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.086 -13.879 7.132 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.082 -15.131 7.565 1.00 0.00 H new ATOM 0 HD3 ARG A 30 7.821 -16.304 7.242 1.00 0.00 H new ATOM 0 HE ARG A 30 10.155 -15.691 5.535 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.040 -17.313 5.894 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.350 -18.452 4.579 1.00 0.00 H new ATOM 0 HH21 ARG A 30 10.548 -17.157 3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.328 -18.364 3.425 1.00 0.00 H new ATOM 474 N LYS A 31 4.643 -14.376 8.033 1.00 0.00 N ATOM 475 CA LYS A 31 3.767 -13.464 8.759 1.00 0.00 C ATOM 476 C LYS A 31 3.756 -12.085 8.107 1.00 0.00 C ATOM 477 O LYS A 31 4.805 -11.465 7.927 1.00 0.00 O ATOM 478 CB LYS A 31 4.215 -13.346 10.218 1.00 0.00 C ATOM 479 CG LYS A 31 3.452 -12.295 11.006 1.00 0.00 C ATOM 480 CD LYS A 31 4.227 -11.846 12.233 1.00 0.00 C ATOM 481 CE LYS A 31 4.165 -12.885 13.342 1.00 0.00 C ATOM 482 NZ LYS A 31 4.914 -12.448 14.553 1.00 0.00 N ATOM 0 H LYS A 31 5.483 -14.650 8.543 1.00 0.00 H new ATOM 0 HA LYS A 31 2.756 -13.870 8.727 1.00 0.00 H new ATOM 0 HB2 LYS A 31 4.093 -14.313 10.706 1.00 0.00 H new ATOM 0 HB3 LYS A 31 5.278 -13.107 10.245 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.251 -11.435 10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 31 2.487 -12.698 11.312 1.00 0.00 H new ATOM 0 HD2 LYS A 31 5.267 -11.664 11.961 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.822 -10.901 12.595 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.124 -13.072 13.606 1.00 0.00 H new ATOM 0 HE3 LYS A 31 4.577 -13.827 12.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.848 -13.183 15.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 5.912 -12.293 14.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.505 -11.562 14.913 1.00 0.00 H new ATOM 496 N CYS A 32 2.566 -11.610 7.757 1.00 0.00 N ATOM 497 CA CYS A 32 2.420 -10.304 7.125 1.00 0.00 C ATOM 498 C CYS A 32 1.514 -9.398 7.953 1.00 0.00 C ATOM 499 O CYS A 32 0.703 -9.873 8.747 1.00 0.00 O ATOM 500 CB CYS A 32 1.854 -10.458 5.712 1.00 0.00 C ATOM 501 SG CYS A 32 2.984 -11.255 4.547 1.00 0.00 S ATOM 0 H CYS A 32 1.688 -12.110 7.900 1.00 0.00 H new ATOM 0 HA CYS A 32 3.407 -9.844 7.065 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.933 -11.038 5.762 1.00 0.00 H new ATOM 0 HB3 CYS A 32 1.590 -9.472 5.329 1.00 0.00 H new ATOM 0 HG CYS A 32 3.239 -12.465 4.949 1.00 0.00 H new ATOM 507 N SER A 33 1.659 -8.091 7.762 1.00 0.00 N ATOM 508 CA SER A 33 0.858 -7.118 8.495 1.00 0.00 C ATOM 509 C SER A 33 0.800 -5.788 7.749 1.00 0.00 C ATOM 510 O SER A 33 1.813 -5.302 7.244 1.00 0.00 O ATOM 511 CB SER A 33 1.433 -6.904 9.897 1.00 0.00 C ATOM 512 OG SER A 33 2.828 -6.663 9.844 1.00 0.00 O ATOM 0 H SER A 33 2.324 -7.681 7.106 1.00 0.00 H new ATOM 0 HA SER A 33 -0.155 -7.511 8.581 1.00 0.00 H new ATOM 0 HB2 SER A 33 0.933 -6.061 10.374 1.00 0.00 H new ATOM 0 HB3 SER A 33 1.235 -7.782 10.512 1.00 0.00 H new ATOM 0 HG SER A 33 3.171 -6.528 10.752 1.00 0.00 H new ATOM 518 N VAL A 34 -0.392 -5.205 7.682 1.00 0.00 N ATOM 519 CA VAL A 34 -0.583 -3.931 6.999 1.00 0.00 C ATOM 520 C VAL A 34 -1.276 -2.920 7.905 1.00 0.00 C ATOM 521 O VAL A 34 -2.393 -3.148 8.370 1.00 0.00 O ATOM 522 CB VAL A 34 -1.413 -4.103 5.713 1.00 0.00 C ATOM 523 CG1 VAL A 34 -2.082 -2.792 5.329 1.00 0.00 C ATOM 524 CG2 VAL A 34 -0.537 -4.616 4.579 1.00 0.00 C ATOM 0 H VAL A 34 -1.241 -5.595 8.093 1.00 0.00 H new ATOM 0 HA VAL A 34 0.408 -3.561 6.737 1.00 0.00 H new ATOM 0 HB VAL A 34 -2.194 -4.840 5.901 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.664 -2.934 4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.742 -2.471 6.135 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.320 -2.031 5.158 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.139 -4.732 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.267 -3.904 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -0.110 -5.580 4.856 1.00 0.00 H new ATOM 534 N LYS A 35 -0.605 -1.800 8.153 1.00 0.00 N ATOM 535 CA LYS A 35 -1.155 -0.750 9.003 1.00 0.00 C ATOM 536 C LYS A 35 -0.586 0.613 8.622 1.00 0.00 C ATOM 537 O LYS A 35 0.564 0.719 8.197 1.00 0.00 O ATOM 538 CB LYS A 35 -0.854 -1.046 10.474 1.00 0.00 C ATOM 539 CG LYS A 35 -1.677 -0.214 11.443 1.00 0.00 C ATOM 540 CD LYS A 35 -1.549 -0.728 12.867 1.00 0.00 C ATOM 541 CE LYS A 35 -2.617 -0.132 13.772 1.00 0.00 C ATOM 542 NZ LYS A 35 -3.926 -0.826 13.616 1.00 0.00 N ATOM 0 H LYS A 35 0.321 -1.596 7.777 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.235 -0.728 8.856 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.038 -2.103 10.668 1.00 0.00 H new ATOM 0 HB3 LYS A 35 0.205 -0.867 10.663 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.351 0.825 11.400 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.724 -0.232 11.141 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.632 -1.815 12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.561 -0.482 13.257 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.292 -0.199 14.810 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -2.738 0.927 13.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.627 -0.391 14.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -4.249 -0.741 12.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.817 -1.831 13.859 1.00 0.00 H new ATOM 556 N ASN A 36 -1.399 1.653 8.778 1.00 0.00 N ATOM 557 CA ASN A 36 -0.975 3.010 8.450 1.00 0.00 C ATOM 558 C ASN A 36 -0.415 3.077 7.033 1.00 0.00 C ATOM 559 O ASN A 36 0.390 3.951 6.713 1.00 0.00 O ATOM 560 CB ASN A 36 0.077 3.493 9.450 1.00 0.00 C ATOM 561 CG ASN A 36 -0.490 3.675 10.845 1.00 0.00 C ATOM 562 OD1 ASN A 36 -0.086 2.808 11.766 1.00 0.00 O flip ATOM 563 ND2 ASN A 36 -1.283 4.584 11.090 1.00 0.00 N flip ATOM 0 H ASN A 36 -2.354 1.582 9.129 1.00 0.00 H new ATOM 0 HA ASN A 36 -1.847 3.661 8.508 1.00 0.00 H new ATOM 0 HB2 ASN A 36 0.897 2.776 9.485 1.00 0.00 H new ATOM 0 HB3 ASN A 36 0.495 4.439 9.105 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.566 5.227 10.351 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -1.657 4.694 12.032 1.00 0.00 H new ATOM 570 N GLY A 37 -0.848 2.148 6.186 1.00 0.00 N ATOM 571 CA GLY A 37 -0.380 2.120 4.813 1.00 0.00 C ATOM 572 C GLY A 37 1.031 1.581 4.692 1.00 0.00 C ATOM 573 O GLY A 37 1.803 2.028 3.843 1.00 0.00 O ATOM 0 H GLY A 37 -1.515 1.414 6.427 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.053 1.505 4.216 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.417 3.128 4.399 1.00 0.00 H new ATOM 577 N ILE A 38 1.370 0.619 5.543 1.00 0.00 N ATOM 578 CA ILE A 38 2.698 0.018 5.528 1.00 0.00 C ATOM 579 C ILE A 38 2.620 -1.494 5.711 1.00 0.00 C ATOM 580 O ILE A 38 1.929 -1.988 6.602 1.00 0.00 O ATOM 581 CB ILE A 38 3.596 0.611 6.630 1.00 0.00 C ATOM 582 CG1 ILE A 38 3.700 2.130 6.472 1.00 0.00 C ATOM 583 CG2 ILE A 38 4.977 -0.026 6.588 1.00 0.00 C ATOM 584 CD1 ILE A 38 4.402 2.559 5.203 1.00 0.00 C ATOM 0 H ILE A 38 0.743 0.239 6.252 1.00 0.00 H new ATOM 0 HA ILE A 38 3.134 0.242 4.555 1.00 0.00 H new ATOM 0 HB ILE A 38 3.146 0.395 7.599 1.00 0.00 H new ATOM 0 HG12 ILE A 38 2.698 2.558 6.485 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.233 2.541 7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.600 0.404 7.373 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.887 -1.101 6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.435 0.163 5.617 1.00 0.00 H new ATOM 0 HD11 ILE A 38 4.439 3.647 5.158 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.417 2.161 5.196 1.00 0.00 H new ATOM 0 HD13 ILE A 38 3.857 2.178 4.339 1.00 0.00 H new ATOM 596 N LEU A 39 3.335 -2.224 4.862 1.00 0.00 N ATOM 597 CA LEU A 39 3.349 -3.681 4.929 1.00 0.00 C ATOM 598 C LEU A 39 4.667 -4.186 5.507 1.00 0.00 C ATOM 599 O LEU A 39 5.737 -3.942 4.949 1.00 0.00 O ATOM 600 CB LEU A 39 3.126 -4.278 3.539 1.00 0.00 C ATOM 601 CG LEU A 39 3.252 -5.798 3.433 1.00 0.00 C ATOM 602 CD1 LEU A 39 2.123 -6.481 4.189 1.00 0.00 C ATOM 603 CD2 LEU A 39 3.258 -6.233 1.975 1.00 0.00 C ATOM 0 H LEU A 39 3.913 -1.831 4.119 1.00 0.00 H new ATOM 0 HA LEU A 39 2.540 -3.998 5.587 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.131 -3.991 3.198 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.841 -3.825 2.852 1.00 0.00 H new ATOM 0 HG LEU A 39 4.198 -6.097 3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.229 -7.562 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.164 -6.195 5.240 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.166 -6.175 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.348 -7.318 1.919 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.329 -5.921 1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.101 -5.772 1.461 1.00 0.00 H new ATOM 615 N THR A 40 4.582 -4.895 6.629 1.00 0.00 N ATOM 616 CA THR A 40 5.767 -5.437 7.282 1.00 0.00 C ATOM 617 C THR A 40 5.899 -6.934 7.028 1.00 0.00 C ATOM 618 O THR A 40 4.902 -7.655 6.978 1.00 0.00 O ATOM 619 CB THR A 40 5.735 -5.186 8.801 1.00 0.00 C ATOM 620 OG1 THR A 40 5.386 -3.823 9.066 1.00 0.00 O ATOM 621 CG2 THR A 40 7.084 -5.502 9.430 1.00 0.00 C ATOM 0 H THR A 40 3.705 -5.107 7.104 1.00 0.00 H new ATOM 0 HA THR A 40 6.627 -4.922 6.854 1.00 0.00 H new ATOM 0 HB THR A 40 4.984 -5.844 9.240 1.00 0.00 H new ATOM 0 HG1 THR A 40 5.366 -3.673 10.034 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.037 -5.317 10.503 1.00 0.00 H new ATOM 0 HG22 THR A 40 7.332 -6.548 9.252 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.850 -4.867 8.986 1.00 0.00 H new ATOM 629 N ILE A 41 7.135 -7.396 6.870 1.00 0.00 N ATOM 630 CA ILE A 41 7.396 -8.808 6.623 1.00 0.00 C ATOM 631 C ILE A 41 8.425 -9.357 7.606 1.00 0.00 C ATOM 632 O ILE A 41 9.582 -8.937 7.609 1.00 0.00 O ATOM 633 CB ILE A 41 7.899 -9.045 5.186 1.00 0.00 C ATOM 634 CG1 ILE A 41 6.824 -8.642 4.174 1.00 0.00 C ATOM 635 CG2 ILE A 41 8.293 -10.503 4.997 1.00 0.00 C ATOM 636 CD1 ILE A 41 7.326 -8.595 2.748 1.00 0.00 C ATOM 0 H ILE A 41 7.971 -6.813 6.909 1.00 0.00 H new ATOM 0 HA ILE A 41 6.450 -9.332 6.760 1.00 0.00 H new ATOM 0 HB ILE A 41 8.780 -8.426 5.018 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.995 -9.347 4.236 1.00 0.00 H new ATOM 0 HG13 ILE A 41 6.430 -7.662 4.445 1.00 0.00 H new ATOM 0 HG21 ILE A 41 8.646 -10.655 3.977 1.00 0.00 H new ATOM 0 HG22 ILE A 41 9.087 -10.759 5.698 1.00 0.00 H new ATOM 0 HG23 ILE A 41 7.428 -11.140 5.180 1.00 0.00 H new ATOM 0 HD11 ILE A 41 6.512 -8.303 2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 41 8.135 -7.869 2.671 1.00 0.00 H new ATOM 0 HD13 ILE A 41 7.693 -9.580 2.459 1.00 0.00 H new ATOM 648 N SER A 42 7.995 -10.300 8.439 1.00 0.00 N ATOM 649 CA SER A 42 8.878 -10.906 9.429 1.00 0.00 C ATOM 650 C SER A 42 9.922 -11.791 8.756 1.00 0.00 C ATOM 651 O SER A 42 9.638 -12.462 7.763 1.00 0.00 O ATOM 652 CB SER A 42 8.066 -11.728 10.432 1.00 0.00 C ATOM 653 OG SER A 42 8.733 -11.813 11.679 1.00 0.00 O ATOM 0 H SER A 42 7.041 -10.661 8.448 1.00 0.00 H new ATOM 0 HA SER A 42 9.393 -10.105 9.959 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.085 -11.273 10.571 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.899 -12.730 10.036 1.00 0.00 H new ATOM 0 HG SER A 42 8.193 -12.342 12.303 1.00 0.00 H new ATOM 767 N PRO A 50 12.537 -6.328 9.823 1.00 0.00 N ATOM 768 CA PRO A 50 11.706 -6.805 8.713 1.00 0.00 C ATOM 769 C PRO A 50 11.744 -5.864 7.514 1.00 0.00 C ATOM 770 O PRO A 50 12.392 -4.818 7.554 1.00 0.00 O ATOM 771 CB PRO A 50 10.300 -6.845 9.317 1.00 0.00 C ATOM 772 CG PRO A 50 10.332 -5.845 10.420 1.00 0.00 C ATOM 773 CD PRO A 50 11.731 -5.881 10.970 1.00 0.00 C ATOM 0 HA PRO A 50 12.049 -7.766 8.330 1.00 0.00 H new ATOM 0 HB2 PRO A 50 9.543 -6.591 8.575 1.00 0.00 H new ATOM 0 HB3 PRO A 50 10.058 -7.840 9.692 1.00 0.00 H new ATOM 0 HG2 PRO A 50 10.083 -4.850 10.052 1.00 0.00 H new ATOM 0 HG3 PRO A 50 9.603 -6.091 11.192 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.048 -4.901 11.326 1.00 0.00 H new ATOM 0 HD3 PRO A 50 11.814 -6.568 11.812 1.00 0.00 H new ATOM 781 N ALA A 51 11.046 -6.242 6.449 1.00 0.00 N ATOM 782 CA ALA A 51 10.998 -5.431 5.239 1.00 0.00 C ATOM 783 C ALA A 51 9.685 -4.663 5.144 1.00 0.00 C ATOM 784 O ALA A 51 8.639 -5.235 4.836 1.00 0.00 O ATOM 785 CB ALA A 51 11.191 -6.305 4.009 1.00 0.00 C ATOM 0 H ALA A 51 10.505 -7.106 6.399 1.00 0.00 H new ATOM 0 HA ALA A 51 11.810 -4.705 5.286 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.153 -5.686 3.113 1.00 0.00 H new ATOM 0 HB2 ALA A 51 12.159 -6.803 4.065 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.400 -7.053 3.967 1.00 0.00 H new ATOM 791 N LYS A 52 9.744 -3.363 5.411 1.00 0.00 N ATOM 792 CA LYS A 52 8.559 -2.514 5.356 1.00 0.00 C ATOM 793 C LYS A 52 8.392 -1.903 3.968 1.00 0.00 C ATOM 794 O LYS A 52 9.347 -1.384 3.389 1.00 0.00 O ATOM 795 CB LYS A 52 8.652 -1.405 6.406 1.00 0.00 C ATOM 796 CG LYS A 52 8.250 -1.852 7.801 1.00 0.00 C ATOM 797 CD LYS A 52 7.871 -0.671 8.678 1.00 0.00 C ATOM 798 CE LYS A 52 9.078 -0.123 9.425 1.00 0.00 C ATOM 799 NZ LYS A 52 8.802 1.215 10.018 1.00 0.00 N ATOM 0 H LYS A 52 10.601 -2.873 5.668 1.00 0.00 H new ATOM 0 HA LYS A 52 7.688 -3.134 5.568 1.00 0.00 H new ATOM 0 HB2 LYS A 52 9.675 -1.029 6.435 1.00 0.00 H new ATOM 0 HB3 LYS A 52 8.015 -0.574 6.102 1.00 0.00 H new ATOM 0 HG2 LYS A 52 7.409 -2.542 7.735 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.074 -2.398 8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.434 0.116 8.063 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.107 -0.977 9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.363 -0.818 10.214 1.00 0.00 H new ATOM 0 HE3 LYS A 52 9.925 -0.050 8.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 9.648 1.554 10.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.555 1.885 9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.010 1.141 10.688 1.00 0.00 H new ATOM 813 N LEU A 53 7.174 -1.967 3.442 1.00 0.00 N ATOM 814 CA LEU A 53 6.881 -1.418 2.122 1.00 0.00 C ATOM 815 C LEU A 53 5.882 -0.270 2.220 1.00 0.00 C ATOM 816 O LEU A 53 4.996 -0.275 3.073 1.00 0.00 O ATOM 817 CB LEU A 53 6.331 -2.511 1.204 1.00 0.00 C ATOM 818 CG LEU A 53 7.252 -3.706 0.957 1.00 0.00 C ATOM 819 CD1 LEU A 53 6.437 -4.966 0.708 1.00 0.00 C ATOM 820 CD2 LEU A 53 8.181 -3.429 -0.217 1.00 0.00 C ATOM 0 H LEU A 53 6.373 -2.393 3.909 1.00 0.00 H new ATOM 0 HA LEU A 53 7.810 -1.032 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.397 -2.879 1.629 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.087 -2.061 0.242 1.00 0.00 H new ATOM 0 HG LEU A 53 7.860 -3.862 1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.110 -5.806 0.534 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.814 -5.174 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 53 5.803 -4.822 -0.167 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.830 -4.290 -0.379 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.589 -3.247 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.790 -2.552 0.000 1.00 0.00 H new ATOM 832 N ASN A 54 6.031 0.714 1.338 1.00 0.00 N ATOM 833 CA ASN A 54 5.141 1.869 1.324 1.00 0.00 C ATOM 834 C ASN A 54 3.932 1.613 0.429 1.00 0.00 C ATOM 835 O ASN A 54 4.045 1.600 -0.797 1.00 0.00 O ATOM 836 CB ASN A 54 5.892 3.112 0.842 1.00 0.00 C ATOM 837 CG ASN A 54 5.303 4.394 1.397 1.00 0.00 C ATOM 838 OD1 ASN A 54 5.203 5.414 0.552 1.00 0.00 O flip ATOM 839 ND2 ASN A 54 4.943 4.467 2.572 1.00 0.00 N flip ATOM 0 H ASN A 54 6.759 0.734 0.624 1.00 0.00 H new ATOM 0 HA ASN A 54 4.789 2.037 2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.939 3.038 1.138 1.00 0.00 H new ATOM 0 HB3 ASN A 54 5.870 3.147 -0.247 1.00 0.00 H new ATOM 0 HD21 ASN A 54 5.038 3.658 3.186 1.00 0.00 H new ATOM 0 HD22 ASN A 54 4.549 5.336 2.932 1.00 0.00 H new ATOM 846 N LEU A 55 2.776 1.409 1.051 1.00 0.00 N ATOM 847 CA LEU A 55 1.544 1.154 0.311 1.00 0.00 C ATOM 848 C LEU A 55 1.116 2.388 -0.477 1.00 0.00 C ATOM 849 O LEU A 55 0.135 2.353 -1.220 1.00 0.00 O ATOM 850 CB LEU A 55 0.428 0.734 1.270 1.00 0.00 C ATOM 851 CG LEU A 55 0.370 -0.752 1.622 1.00 0.00 C ATOM 852 CD1 LEU A 55 1.689 -1.211 2.224 1.00 0.00 C ATOM 853 CD2 LEU A 55 -0.780 -1.028 2.580 1.00 0.00 C ATOM 0 H LEU A 55 2.666 1.415 2.065 1.00 0.00 H new ATOM 0 HA LEU A 55 1.733 0.344 -0.394 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.538 1.302 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.528 1.021 0.831 1.00 0.00 H new ATOM 0 HG LEU A 55 0.197 -1.316 0.705 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.628 -2.272 2.468 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.493 -1.050 1.506 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.893 -0.641 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.807 -2.091 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -0.637 -0.453 3.495 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -1.721 -0.738 2.112 1.00 0.00 H new ATOM 865 N LEU A 56 1.860 3.476 -0.311 1.00 0.00 N ATOM 866 CA LEU A 56 1.559 4.721 -1.008 1.00 0.00 C ATOM 867 C LEU A 56 2.112 4.697 -2.430 1.00 0.00 C ATOM 868 O LEU A 56 1.668 5.453 -3.294 1.00 0.00 O ATOM 869 CB LEU A 56 2.141 5.911 -0.243 1.00 0.00 C ATOM 870 CG LEU A 56 2.257 5.743 1.272 1.00 0.00 C ATOM 871 CD1 LEU A 56 2.693 7.047 1.922 1.00 0.00 C ATOM 872 CD2 LEU A 56 0.936 5.267 1.859 1.00 0.00 C ATOM 0 H LEU A 56 2.676 3.521 0.300 1.00 0.00 H new ATOM 0 HA LEU A 56 0.475 4.826 -1.061 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.133 6.124 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.522 6.785 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 56 3.015 4.988 1.477 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.770 6.908 3.000 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.663 7.345 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.959 7.824 1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 56 1.037 5.153 2.938 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.157 5.998 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.666 4.308 1.417 1.00 0.00 H new ATOM 884 N THR A 57 3.083 3.820 -2.666 1.00 0.00 N ATOM 885 CA THR A 57 3.696 3.695 -3.983 1.00 0.00 C ATOM 886 C THR A 57 3.595 2.266 -4.503 1.00 0.00 C ATOM 887 O THR A 57 3.536 2.038 -5.712 1.00 0.00 O ATOM 888 CB THR A 57 5.178 4.116 -3.954 1.00 0.00 C ATOM 889 OG1 THR A 57 5.747 3.991 -5.262 1.00 0.00 O ATOM 890 CG2 THR A 57 5.964 3.263 -2.970 1.00 0.00 C ATOM 0 H THR A 57 3.462 3.186 -1.962 1.00 0.00 H new ATOM 0 HA THR A 57 3.150 4.361 -4.651 1.00 0.00 H new ATOM 0 HB THR A 57 5.232 5.156 -3.632 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.689 4.262 -5.236 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.007 3.579 -2.967 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.546 3.382 -1.970 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.903 2.216 -3.266 1.00 0.00 H new ATOM 898 N CYS A 58 3.576 1.307 -3.584 1.00 0.00 N ATOM 899 CA CYS A 58 3.482 -0.101 -3.951 1.00 0.00 C ATOM 900 C CYS A 58 2.476 -0.303 -5.079 1.00 0.00 C ATOM 901 O CYS A 58 1.457 0.384 -5.144 1.00 0.00 O ATOM 902 CB CYS A 58 3.080 -0.940 -2.737 1.00 0.00 C ATOM 903 SG CYS A 58 1.294 -1.090 -2.501 1.00 0.00 S ATOM 0 H CYS A 58 3.624 1.479 -2.580 1.00 0.00 H new ATOM 0 HA CYS A 58 4.462 -0.426 -4.300 1.00 0.00 H new ATOM 0 HB2 CYS A 58 3.507 -1.938 -2.841 1.00 0.00 H new ATOM 0 HB3 CYS A 58 3.518 -0.498 -1.842 1.00 0.00 H new ATOM 0 HG CYS A 58 0.676 -0.499 -3.480 1.00 0.00 H new ATOM 909 N GLN A 59 2.770 -1.249 -5.965 1.00 0.00 N ATOM 910 CA GLN A 59 1.892 -1.539 -7.093 1.00 0.00 C ATOM 911 C GLN A 59 1.295 -2.937 -6.972 1.00 0.00 C ATOM 912 O GLN A 59 1.973 -3.936 -7.211 1.00 0.00 O ATOM 913 CB GLN A 59 2.659 -1.411 -8.410 1.00 0.00 C ATOM 914 CG GLN A 59 1.789 -0.982 -9.581 1.00 0.00 C ATOM 915 CD GLN A 59 2.601 -0.455 -10.748 1.00 0.00 C ATOM 916 OE1 GLN A 59 2.571 -1.015 -11.844 1.00 0.00 O ATOM 917 NE2 GLN A 59 3.332 0.630 -10.518 1.00 0.00 N ATOM 0 H GLN A 59 3.609 -1.828 -5.924 1.00 0.00 H new ATOM 0 HA GLN A 59 1.078 -0.814 -7.083 1.00 0.00 H new ATOM 0 HB2 GLN A 59 3.465 -0.688 -8.283 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.124 -2.369 -8.645 1.00 0.00 H new ATOM 0 HG2 GLN A 59 1.190 -1.830 -9.913 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.094 -0.211 -9.249 1.00 0.00 H new ATOM 0 HE21 GLN A 59 3.327 1.062 -9.594 1.00 0.00 H new ATOM 0 HE22 GLN A 59 3.898 1.031 -11.265 1.00 0.00 H new ATOM 926 N VAL A 60 0.021 -3.001 -6.598 1.00 0.00 N ATOM 927 CA VAL A 60 -0.668 -4.277 -6.446 1.00 0.00 C ATOM 928 C VAL A 60 -1.230 -4.761 -7.778 1.00 0.00 C ATOM 929 O VAL A 60 -2.306 -4.337 -8.202 1.00 0.00 O ATOM 930 CB VAL A 60 -1.816 -4.177 -5.424 1.00 0.00 C ATOM 931 CG1 VAL A 60 -2.587 -5.486 -5.356 1.00 0.00 C ATOM 932 CG2 VAL A 60 -1.276 -3.795 -4.053 1.00 0.00 C ATOM 0 H VAL A 60 -0.555 -2.184 -6.395 1.00 0.00 H new ATOM 0 HA VAL A 60 0.070 -4.993 -6.084 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.503 -3.396 -5.750 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.394 -5.396 -4.629 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.006 -5.713 -6.336 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -1.915 -6.289 -5.054 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.100 -3.729 -3.343 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -0.568 -4.552 -3.717 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.773 -2.830 -4.116 1.00 0.00 H new ATOM 942 N LYS A 61 -0.495 -5.651 -8.436 1.00 0.00 N ATOM 943 CA LYS A 61 -0.919 -6.195 -9.720 1.00 0.00 C ATOM 944 C LYS A 61 -1.429 -7.624 -9.564 1.00 0.00 C ATOM 945 O LYS A 61 -0.662 -8.588 -9.584 1.00 0.00 O ATOM 946 CB LYS A 61 0.240 -6.162 -10.719 1.00 0.00 C ATOM 947 CG LYS A 61 0.326 -4.867 -11.508 1.00 0.00 C ATOM 948 CD LYS A 61 0.926 -5.091 -12.886 1.00 0.00 C ATOM 949 CE LYS A 61 -0.079 -5.727 -13.834 1.00 0.00 C ATOM 950 NZ LYS A 61 -1.172 -4.783 -14.199 1.00 0.00 N ATOM 0 H LYS A 61 0.398 -6.011 -8.100 1.00 0.00 H new ATOM 0 HA LYS A 61 -1.733 -5.576 -10.097 1.00 0.00 H new ATOM 0 HB2 LYS A 61 1.176 -6.313 -10.182 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.133 -6.995 -11.414 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -0.670 -4.435 -11.610 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.932 -4.146 -10.960 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.263 -4.139 -13.296 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.804 -5.731 -12.802 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.433 -6.057 -14.738 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.506 -6.615 -13.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.675 -5.141 -15.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -1.838 -4.699 -13.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.767 -3.849 -14.412 1.00 0.00 H new ATOM 964 N PRO A 62 -2.753 -7.768 -9.407 1.00 0.00 N ATOM 965 CA PRO A 62 -3.394 -9.076 -9.246 1.00 0.00 C ATOM 966 C PRO A 62 -3.358 -9.900 -10.529 1.00 0.00 C ATOM 967 O PRO A 62 -3.562 -9.374 -11.622 1.00 0.00 O ATOM 968 CB PRO A 62 -4.837 -8.722 -8.878 1.00 0.00 C ATOM 969 CG PRO A 62 -5.053 -7.366 -9.457 1.00 0.00 C ATOM 970 CD PRO A 62 -3.726 -6.663 -9.374 1.00 0.00 C ATOM 0 HA PRO A 62 -2.888 -9.689 -8.500 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -5.540 -9.446 -9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.981 -8.719 -7.798 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.395 -7.433 -10.490 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.818 -6.822 -8.902 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.582 -5.976 -10.208 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -3.638 -6.077 -8.459 1.00 0.00 H new ATOM 978 N ASN A 63 -3.099 -11.196 -10.387 1.00 0.00 N ATOM 979 CA ASN A 63 -3.037 -12.093 -11.535 1.00 0.00 C ATOM 980 C ASN A 63 -4.380 -12.146 -12.258 1.00 0.00 C ATOM 981 O ASN A 63 -5.325 -11.453 -11.883 1.00 0.00 O ATOM 982 CB ASN A 63 -2.630 -13.499 -11.089 1.00 0.00 C ATOM 983 CG ASN A 63 -3.822 -14.347 -10.691 1.00 0.00 C ATOM 984 OD1 ASN A 63 -4.032 -15.435 -11.228 1.00 0.00 O ATOM 985 ND2 ASN A 63 -4.611 -13.851 -9.744 1.00 0.00 N ATOM 0 H ASN A 63 -2.929 -11.648 -9.489 1.00 0.00 H new ATOM 0 HA ASN A 63 -2.287 -11.707 -12.226 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -2.091 -13.992 -11.898 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.943 -13.425 -10.246 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -5.429 -14.376 -9.435 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -4.399 -12.945 -9.326 1.00 0.00 H new ATOM 992 N ALA A 64 -4.455 -12.973 -13.295 1.00 0.00 N ATOM 993 CA ALA A 64 -5.682 -13.118 -14.069 1.00 0.00 C ATOM 994 C ALA A 64 -6.123 -14.576 -14.129 1.00 0.00 C ATOM 995 O ALA A 64 -7.249 -14.909 -13.761 1.00 0.00 O ATOM 996 CB ALA A 64 -5.490 -12.564 -15.473 1.00 0.00 C ATOM 0 H ALA A 64 -3.681 -13.553 -13.619 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.466 -12.548 -13.571 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -6.414 -12.679 -16.039 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -5.229 -11.507 -15.415 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -4.688 -13.108 -15.972 1.00 0.00 H new ATOM 1002 N GLU A 65 -5.229 -15.442 -14.597 1.00 0.00 N ATOM 1003 CA GLU A 65 -5.528 -16.865 -14.707 1.00 0.00 C ATOM 1004 C GLU A 65 -6.249 -17.367 -13.459 1.00 0.00 C ATOM 1005 O GLU A 65 -7.335 -17.940 -13.545 1.00 0.00 O ATOM 1006 CB GLU A 65 -4.242 -17.664 -14.923 1.00 0.00 C ATOM 1007 CG GLU A 65 -3.646 -17.496 -16.311 1.00 0.00 C ATOM 1008 CD GLU A 65 -2.368 -18.290 -16.498 1.00 0.00 C ATOM 1009 OE1 GLU A 65 -1.507 -18.251 -15.594 1.00 0.00 O ATOM 1010 OE2 GLU A 65 -2.230 -18.951 -17.548 1.00 0.00 O ATOM 0 H GLU A 65 -4.292 -15.183 -14.906 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.183 -17.007 -15.566 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -3.505 -17.357 -14.181 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.447 -18.720 -14.751 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.377 -17.810 -17.056 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.443 -16.440 -16.489 1.00 0.00 H new ATOM 1017 N ASP A 66 -5.636 -17.148 -12.301 1.00 0.00 N ATOM 1018 CA ASP A 66 -6.218 -17.577 -11.035 1.00 0.00 C ATOM 1019 C ASP A 66 -6.822 -16.394 -10.285 1.00 0.00 C ATOM 1020 O ASP A 66 -6.799 -15.261 -10.769 1.00 0.00 O ATOM 1021 CB ASP A 66 -5.159 -18.259 -10.168 1.00 0.00 C ATOM 1022 CG ASP A 66 -4.196 -19.099 -10.984 1.00 0.00 C ATOM 1023 OD1 ASP A 66 -4.491 -20.291 -11.207 1.00 0.00 O ATOM 1024 OD2 ASP A 66 -3.146 -18.564 -11.398 1.00 0.00 O ATOM 0 H ASP A 66 -4.736 -16.676 -12.213 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.013 -18.290 -11.253 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.600 -17.501 -9.619 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -5.651 -18.891 -9.428 1.00 0.00 H new ATOM 1029 N LYS A 67 -7.363 -16.663 -9.102 1.00 0.00 N ATOM 1030 CA LYS A 67 -7.974 -15.622 -8.285 1.00 0.00 C ATOM 1031 C LYS A 67 -7.192 -15.418 -6.991 1.00 0.00 C ATOM 1032 O LYS A 67 -7.300 -14.375 -6.346 1.00 0.00 O ATOM 1033 CB LYS A 67 -9.426 -15.982 -7.964 1.00 0.00 C ATOM 1034 CG LYS A 67 -10.221 -14.832 -7.371 1.00 0.00 C ATOM 1035 CD LYS A 67 -10.848 -13.971 -8.454 1.00 0.00 C ATOM 1036 CE LYS A 67 -11.585 -12.779 -7.861 1.00 0.00 C ATOM 1037 NZ LYS A 67 -11.945 -11.776 -8.901 1.00 0.00 N ATOM 0 H LYS A 67 -7.391 -17.594 -8.687 1.00 0.00 H new ATOM 0 HA LYS A 67 -7.954 -14.692 -8.852 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.918 -16.320 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.438 -16.819 -7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.002 -15.226 -6.720 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.568 -14.219 -6.750 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.073 -13.619 -9.135 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -11.541 -14.572 -9.043 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.490 -13.124 -7.360 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -10.961 -12.307 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -12.445 -10.980 -8.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -11.080 -11.428 -9.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -12.561 -12.219 -9.612 1.00 0.00 H new ATOM 1051 N LYS A 68 -6.403 -16.420 -6.617 1.00 0.00 N ATOM 1052 CA LYS A 68 -5.601 -16.350 -5.402 1.00 0.00 C ATOM 1053 C LYS A 68 -4.125 -16.154 -5.735 1.00 0.00 C ATOM 1054 O LYS A 68 -3.267 -16.897 -5.257 1.00 0.00 O ATOM 1055 CB LYS A 68 -5.783 -17.622 -4.572 1.00 0.00 C ATOM 1056 CG LYS A 68 -7.160 -17.747 -3.943 1.00 0.00 C ATOM 1057 CD LYS A 68 -7.277 -19.007 -3.103 1.00 0.00 C ATOM 1058 CE LYS A 68 -7.586 -20.224 -3.962 1.00 0.00 C ATOM 1059 NZ LYS A 68 -6.378 -20.718 -4.678 1.00 0.00 N ATOM 0 H LYS A 68 -6.302 -17.291 -7.139 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.941 -15.493 -4.821 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.603 -18.489 -5.208 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.030 -17.642 -3.784 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.357 -16.874 -3.321 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -7.919 -17.759 -4.726 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.346 -19.171 -2.560 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -8.062 -18.877 -2.358 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.987 -21.020 -3.334 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.359 -19.970 -4.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.397 -21.757 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.368 -20.337 -5.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.524 -20.405 -4.174 1.00 0.00 H new ATOM 1073 N SER A 69 -3.836 -15.150 -6.556 1.00 0.00 N ATOM 1074 CA SER A 69 -2.464 -14.858 -6.955 1.00 0.00 C ATOM 1075 C SER A 69 -2.293 -13.375 -7.270 1.00 0.00 C ATOM 1076 O SER A 69 -2.984 -12.828 -8.130 1.00 0.00 O ATOM 1077 CB SER A 69 -2.075 -15.698 -8.173 1.00 0.00 C ATOM 1078 OG SER A 69 -1.531 -16.946 -7.779 1.00 0.00 O ATOM 0 H SER A 69 -4.534 -14.524 -6.958 1.00 0.00 H new ATOM 0 HA SER A 69 -1.808 -15.112 -6.122 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.951 -15.861 -8.801 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.348 -15.155 -8.776 1.00 0.00 H new ATOM 0 HG SER A 69 -1.292 -17.465 -8.575 1.00 0.00 H new ATOM 1084 N PHE A 70 -1.368 -12.731 -6.567 1.00 0.00 N ATOM 1085 CA PHE A 70 -1.106 -11.311 -6.770 1.00 0.00 C ATOM 1086 C PHE A 70 0.378 -11.001 -6.594 1.00 0.00 C ATOM 1087 O PHE A 70 1.053 -11.601 -5.757 1.00 0.00 O ATOM 1088 CB PHE A 70 -1.933 -10.473 -5.793 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.316 -10.360 -4.429 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -0.264 -9.487 -4.199 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -1.787 -11.126 -3.375 1.00 0.00 C ATOM 1092 CE1 PHE A 70 0.306 -9.382 -2.945 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -1.221 -11.025 -2.118 1.00 0.00 C ATOM 1094 CZ PHE A 70 -0.174 -10.151 -1.902 1.00 0.00 C ATOM 0 H PHE A 70 -0.787 -13.169 -5.852 1.00 0.00 H new ATOM 0 HA PHE A 70 -1.394 -11.056 -7.790 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -2.066 -9.473 -6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -2.925 -10.914 -5.699 1.00 0.00 H new ATOM 0 HD1 PHE A 70 0.114 -8.882 -5.010 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -2.606 -11.810 -3.538 1.00 0.00 H new ATOM 0 HE1 PHE A 70 1.126 -8.699 -2.780 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.597 -11.629 -1.306 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.269 -10.069 -0.920 1.00 0.00 H new ATOM 1104 N ASP A 71 0.878 -10.061 -7.388 1.00 0.00 N ATOM 1105 CA ASP A 71 2.282 -9.670 -7.320 1.00 0.00 C ATOM 1106 C ASP A 71 2.424 -8.242 -6.803 1.00 0.00 C ATOM 1107 O ASP A 71 1.620 -7.369 -7.131 1.00 0.00 O ATOM 1108 CB ASP A 71 2.935 -9.794 -8.698 1.00 0.00 C ATOM 1109 CG ASP A 71 3.520 -11.172 -8.939 1.00 0.00 C ATOM 1110 OD1 ASP A 71 2.763 -12.073 -9.354 1.00 0.00 O ATOM 1111 OD2 ASP A 71 4.736 -11.349 -8.712 1.00 0.00 O ATOM 0 H ASP A 71 0.333 -9.555 -8.086 1.00 0.00 H new ATOM 0 HA ASP A 71 2.787 -10.341 -6.625 1.00 0.00 H new ATOM 0 HB2 ASP A 71 2.195 -9.577 -9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 71 3.723 -9.046 -8.792 1.00 0.00 H new ATOM 1116 N LEU A 72 3.451 -8.012 -5.992 1.00 0.00 N ATOM 1117 CA LEU A 72 3.698 -6.689 -5.428 1.00 0.00 C ATOM 1118 C LEU A 72 4.998 -6.102 -5.967 1.00 0.00 C ATOM 1119 O LEU A 72 6.089 -6.540 -5.600 1.00 0.00 O ATOM 1120 CB LEU A 72 3.755 -6.767 -3.901 1.00 0.00 C ATOM 1121 CG LEU A 72 3.645 -5.436 -3.157 1.00 0.00 C ATOM 1122 CD1 LEU A 72 2.276 -4.812 -3.378 1.00 0.00 C ATOM 1123 CD2 LEU A 72 3.910 -5.632 -1.671 1.00 0.00 C ATOM 0 H LEU A 72 4.125 -8.723 -5.710 1.00 0.00 H new ATOM 0 HA LEU A 72 2.876 -6.036 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.950 -7.419 -3.560 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.693 -7.243 -3.616 1.00 0.00 H new ATOM 0 HG LEU A 72 4.399 -4.757 -3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.217 -3.865 -2.841 1.00 0.00 H new ATOM 0 HD12 LEU A 72 2.124 -4.635 -4.443 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.504 -5.488 -3.009 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.827 -4.674 -1.157 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.179 -6.328 -1.260 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.913 -6.034 -1.530 1.00 0.00 H new ATOM 1135 N ILE A 73 4.875 -5.106 -6.839 1.00 0.00 N ATOM 1136 CA ILE A 73 6.040 -4.456 -7.426 1.00 0.00 C ATOM 1137 C ILE A 73 6.525 -3.304 -6.552 1.00 0.00 C ATOM 1138 O ILE A 73 5.891 -2.251 -6.488 1.00 0.00 O ATOM 1139 CB ILE A 73 5.735 -3.922 -8.838 1.00 0.00 C ATOM 1140 CG1 ILE A 73 5.386 -5.077 -9.779 1.00 0.00 C ATOM 1141 CG2 ILE A 73 6.921 -3.134 -9.374 1.00 0.00 C ATOM 1142 CD1 ILE A 73 4.429 -4.688 -10.884 1.00 0.00 C ATOM 0 H ILE A 73 3.980 -4.732 -7.154 1.00 0.00 H new ATOM 0 HA ILE A 73 6.823 -5.212 -7.494 1.00 0.00 H new ATOM 0 HB ILE A 73 4.876 -3.253 -8.780 1.00 0.00 H new ATOM 0 HG12 ILE A 73 6.304 -5.463 -10.223 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.947 -5.888 -9.198 1.00 0.00 H new ATOM 0 HG21 ILE A 73 6.690 -2.763 -10.373 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.127 -2.292 -8.713 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.797 -3.781 -9.421 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.226 -5.556 -11.512 1.00 0.00 H new ATOM 0 HD12 ILE A 73 3.496 -4.330 -10.448 1.00 0.00 H new ATOM 0 HD13 ILE A 73 4.874 -3.898 -11.489 1.00 0.00 H new ATOM 1154 N SER A 74 7.654 -3.511 -5.883 1.00 0.00 N ATOM 1155 CA SER A 74 8.224 -2.490 -5.012 1.00 0.00 C ATOM 1156 C SER A 74 9.260 -1.654 -5.759 1.00 0.00 C ATOM 1157 O SER A 74 9.519 -1.878 -6.941 1.00 0.00 O ATOM 1158 CB SER A 74 8.866 -3.138 -3.783 1.00 0.00 C ATOM 1159 OG SER A 74 8.194 -4.335 -3.429 1.00 0.00 O ATOM 0 H SER A 74 8.192 -4.376 -5.927 1.00 0.00 H new ATOM 0 HA SER A 74 7.417 -1.833 -4.688 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.915 -3.353 -3.987 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.840 -2.441 -2.945 1.00 0.00 H new ATOM 0 HG SER A 74 8.728 -5.106 -3.712 1.00 0.00 H new ATOM 1165 N HIS A 75 9.848 -0.689 -5.059 1.00 0.00 N ATOM 1166 CA HIS A 75 10.856 0.181 -5.655 1.00 0.00 C ATOM 1167 C HIS A 75 11.974 -0.639 -6.292 1.00 0.00 C ATOM 1168 O HIS A 75 12.927 -1.034 -5.621 1.00 0.00 O ATOM 1169 CB HIS A 75 11.436 1.122 -4.599 1.00 0.00 C ATOM 1170 CG HIS A 75 12.551 1.982 -5.110 1.00 0.00 C ATOM 1171 ND1 HIS A 75 12.342 3.096 -5.896 1.00 0.00 N ATOM 1172 CD2 HIS A 75 13.891 1.887 -4.943 1.00 0.00 C ATOM 1173 CE1 HIS A 75 13.505 3.648 -6.191 1.00 0.00 C ATOM 1174 NE2 HIS A 75 14.461 2.934 -5.624 1.00 0.00 N ATOM 0 H HIS A 75 9.644 -0.490 -4.080 1.00 0.00 H new ATOM 0 HA HIS A 75 10.375 0.773 -6.434 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.640 1.762 -4.218 1.00 0.00 H new ATOM 0 HB3 HIS A 75 11.800 0.531 -3.758 1.00 0.00 H new ATOM 0 HD2 HIS A 75 14.414 1.129 -4.379 1.00 0.00 H new ATOM 0 HE1 HIS A 75 13.650 4.533 -6.793 1.00 0.00 H new ATOM 0 HE2 HIS A 75 15.460 3.129 -5.683 1.00 0.00 H new ATOM 1183 N ASN A 76 11.849 -0.893 -7.591 1.00 0.00 N ATOM 1184 CA ASN A 76 12.848 -1.667 -8.318 1.00 0.00 C ATOM 1185 C ASN A 76 12.970 -3.075 -7.742 1.00 0.00 C ATOM 1186 O ASN A 76 14.073 -3.564 -7.501 1.00 0.00 O ATOM 1187 CB ASN A 76 14.205 -0.963 -8.267 1.00 0.00 C ATOM 1188 CG ASN A 76 14.133 0.469 -8.759 1.00 0.00 C ATOM 1189 OD1 ASN A 76 14.090 1.409 -7.964 1.00 0.00 O ATOM 1190 ND2 ASN A 76 14.118 0.643 -10.075 1.00 0.00 N ATOM 0 H ASN A 76 11.066 -0.574 -8.161 1.00 0.00 H new ATOM 0 HA ASN A 76 12.526 -1.745 -9.356 1.00 0.00 H new ATOM 0 HB2 ASN A 76 14.578 -0.974 -7.243 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.921 -1.517 -8.874 1.00 0.00 H new ATOM 0 HD21 ASN A 76 14.069 1.584 -10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.155 -0.165 -10.697 1.00 0.00 H new ATOM 1197 N ARG A 77 11.829 -3.720 -7.524 1.00 0.00 N ATOM 1198 CA ARG A 77 11.808 -5.071 -6.976 1.00 0.00 C ATOM 1199 C ARG A 77 10.449 -5.728 -7.203 1.00 0.00 C ATOM 1200 O ARG A 77 9.406 -5.094 -7.044 1.00 0.00 O ATOM 1201 CB ARG A 77 12.129 -5.043 -5.481 1.00 0.00 C ATOM 1202 CG ARG A 77 12.225 -6.423 -4.852 1.00 0.00 C ATOM 1203 CD ARG A 77 13.438 -7.185 -5.364 1.00 0.00 C ATOM 1204 NE ARG A 77 13.568 -8.495 -4.730 1.00 0.00 N ATOM 1205 CZ ARG A 77 14.623 -9.286 -4.889 1.00 0.00 C ATOM 1206 NH1 ARG A 77 15.634 -8.902 -5.656 1.00 0.00 N ATOM 1207 NH2 ARG A 77 14.669 -10.464 -4.279 1.00 0.00 N ATOM 0 H ARG A 77 10.907 -3.329 -7.718 1.00 0.00 H new ATOM 0 HA ARG A 77 12.568 -5.658 -7.493 1.00 0.00 H new ATOM 0 HB2 ARG A 77 13.072 -4.518 -5.331 1.00 0.00 H new ATOM 0 HB3 ARG A 77 11.359 -4.470 -4.964 1.00 0.00 H new ATOM 0 HG2 ARG A 77 12.285 -6.327 -3.768 1.00 0.00 H new ATOM 0 HG3 ARG A 77 11.319 -6.988 -5.072 1.00 0.00 H new ATOM 0 HD2 ARG A 77 13.358 -7.311 -6.444 1.00 0.00 H new ATOM 0 HD3 ARG A 77 14.339 -6.601 -5.177 1.00 0.00 H new ATOM 0 HE ARG A 77 12.807 -8.820 -4.133 1.00 0.00 H new ATOM 0 HH11 ARG A 77 15.603 -7.997 -6.126 1.00 0.00 H new ATOM 0 HH12 ARG A 77 16.443 -9.511 -5.776 1.00 0.00 H new ATOM 0 HH21 ARG A 77 13.894 -10.763 -3.687 1.00 0.00 H new ATOM 0 HH22 ARG A 77 15.480 -11.071 -4.402 1.00 0.00 H new ATOM 1221 N THR A 78 10.470 -7.004 -7.576 1.00 0.00 N ATOM 1222 CA THR A 78 9.241 -7.747 -7.826 1.00 0.00 C ATOM 1223 C THR A 78 9.027 -8.826 -6.771 1.00 0.00 C ATOM 1224 O THR A 78 9.865 -9.711 -6.595 1.00 0.00 O ATOM 1225 CB THR A 78 9.256 -8.403 -9.220 1.00 0.00 C ATOM 1226 OG1 THR A 78 9.774 -7.485 -10.189 1.00 0.00 O ATOM 1227 CG2 THR A 78 7.857 -8.841 -9.626 1.00 0.00 C ATOM 0 H THR A 78 11.325 -7.544 -7.712 1.00 0.00 H new ATOM 0 HA THR A 78 8.422 -7.029 -7.779 1.00 0.00 H new ATOM 0 HB THR A 78 9.897 -9.283 -9.176 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.782 -7.911 -11.072 1.00 0.00 H new ATOM 0 HG21 THR A 78 7.892 -9.301 -10.613 1.00 0.00 H new ATOM 0 HG22 THR A 78 7.477 -9.562 -8.903 1.00 0.00 H new ATOM 0 HG23 THR A 78 7.198 -7.973 -9.653 1.00 0.00 H new ATOM 1235 N TYR A 79 7.899 -8.748 -6.073 1.00 0.00 N ATOM 1236 CA TYR A 79 7.576 -9.718 -5.033 1.00 0.00 C ATOM 1237 C TYR A 79 6.470 -10.662 -5.494 1.00 0.00 C ATOM 1238 O TYR A 79 5.587 -10.276 -6.262 1.00 0.00 O ATOM 1239 CB TYR A 79 7.147 -9.000 -3.752 1.00 0.00 C ATOM 1240 CG TYR A 79 8.263 -8.221 -3.093 1.00 0.00 C ATOM 1241 CD1 TYR A 79 8.852 -7.137 -3.733 1.00 0.00 C ATOM 1242 CD2 TYR A 79 8.728 -8.569 -1.831 1.00 0.00 C ATOM 1243 CE1 TYR A 79 9.872 -6.423 -3.134 1.00 0.00 C ATOM 1244 CE2 TYR A 79 9.747 -7.859 -1.225 1.00 0.00 C ATOM 1245 CZ TYR A 79 10.316 -6.787 -1.880 1.00 0.00 C ATOM 1246 OH TYR A 79 11.331 -6.079 -1.280 1.00 0.00 O ATOM 0 H TYR A 79 7.194 -8.024 -6.208 1.00 0.00 H new ATOM 0 HA TYR A 79 8.471 -10.306 -4.830 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.328 -8.320 -3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 79 6.761 -9.735 -3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 79 8.507 -6.848 -4.715 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.286 -9.408 -1.315 1.00 0.00 H new ATOM 0 HE1 TYR A 79 10.320 -5.584 -3.645 1.00 0.00 H new ATOM 0 HE2 TYR A 79 10.096 -8.142 -0.243 1.00 0.00 H new ATOM 0 HH TYR A 79 11.523 -6.465 -0.400 1.00 0.00 H new ATOM 1256 N HIS A 80 6.523 -11.902 -5.020 1.00 0.00 N ATOM 1257 CA HIS A 80 5.526 -12.903 -5.382 1.00 0.00 C ATOM 1258 C HIS A 80 4.740 -13.355 -4.155 1.00 0.00 C ATOM 1259 O HIS A 80 5.312 -13.859 -3.188 1.00 0.00 O ATOM 1260 CB HIS A 80 6.197 -14.107 -6.043 1.00 0.00 C ATOM 1261 CG HIS A 80 7.270 -13.734 -7.019 1.00 0.00 C ATOM 1262 ND1 HIS A 80 7.140 -12.699 -7.921 1.00 0.00 N ATOM 1263 CD2 HIS A 80 8.498 -14.262 -7.230 1.00 0.00 C ATOM 1264 CE1 HIS A 80 8.241 -12.608 -8.646 1.00 0.00 C ATOM 1265 NE2 HIS A 80 9.081 -13.546 -8.246 1.00 0.00 N ATOM 0 H HIS A 80 7.246 -12.238 -4.384 1.00 0.00 H new ATOM 0 HA HIS A 80 4.833 -12.449 -6.090 1.00 0.00 H new ATOM 0 HB2 HIS A 80 6.626 -14.743 -5.269 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.439 -14.698 -6.557 1.00 0.00 H new ATOM 0 HD1 HIS A 80 6.322 -12.097 -8.014 1.00 0.00 H new ATOM 0 HD2 HIS A 80 8.938 -15.093 -6.698 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.423 -11.889 -9.431 1.00 0.00 H new ATOM 1274 N PHE A 81 3.424 -13.169 -4.200 1.00 0.00 N ATOM 1275 CA PHE A 81 2.559 -13.556 -3.091 1.00 0.00 C ATOM 1276 C PHE A 81 1.393 -14.408 -3.583 1.00 0.00 C ATOM 1277 O PHE A 81 0.918 -14.238 -4.705 1.00 0.00 O ATOM 1278 CB PHE A 81 2.031 -12.313 -2.372 1.00 0.00 C ATOM 1279 CG PHE A 81 3.102 -11.517 -1.684 1.00 0.00 C ATOM 1280 CD1 PHE A 81 3.799 -12.050 -0.611 1.00 0.00 C ATOM 1281 CD2 PHE A 81 3.414 -10.236 -2.110 1.00 0.00 C ATOM 1282 CE1 PHE A 81 4.785 -11.319 0.025 1.00 0.00 C ATOM 1283 CE2 PHE A 81 4.400 -9.501 -1.479 1.00 0.00 C ATOM 1284 CZ PHE A 81 5.087 -10.044 -0.411 1.00 0.00 C ATOM 0 H PHE A 81 2.934 -12.753 -4.992 1.00 0.00 H new ATOM 0 HA PHE A 81 3.148 -14.149 -2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 81 1.522 -11.674 -3.094 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.287 -12.618 -1.636 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.569 -13.048 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.880 -9.807 -2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 81 5.319 -11.745 0.862 1.00 0.00 H new ATOM 0 HE2 PHE A 81 4.633 -8.503 -1.821 1.00 0.00 H new ATOM 0 HZ PHE A 81 5.859 -9.472 0.082 1.00 0.00 H new ATOM 1294 N GLN A 82 0.938 -15.324 -2.734 1.00 0.00 N ATOM 1295 CA GLN A 82 -0.172 -16.203 -3.082 1.00 0.00 C ATOM 1296 C GLN A 82 -1.083 -16.432 -1.880 1.00 0.00 C ATOM 1297 O GLN A 82 -0.619 -16.784 -0.796 1.00 0.00 O ATOM 1298 CB GLN A 82 0.354 -17.542 -3.601 1.00 0.00 C ATOM 1299 CG GLN A 82 -0.642 -18.292 -4.471 1.00 0.00 C ATOM 1300 CD GLN A 82 -0.115 -19.634 -4.939 1.00 0.00 C ATOM 1301 OE1 GLN A 82 -0.233 -20.639 -4.238 1.00 0.00 O ATOM 1302 NE2 GLN A 82 0.472 -19.657 -6.130 1.00 0.00 N ATOM 0 H GLN A 82 1.321 -15.477 -1.801 1.00 0.00 H new ATOM 0 HA GLN A 82 -0.753 -15.720 -3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.265 -17.367 -4.174 1.00 0.00 H new ATOM 0 HB3 GLN A 82 0.627 -18.169 -2.752 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -1.565 -18.444 -3.911 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -0.892 -17.682 -5.339 1.00 0.00 H new ATOM 0 HE21 GLN A 82 0.548 -18.800 -6.678 1.00 0.00 H new ATOM 0 HE22 GLN A 82 0.847 -20.532 -6.497 1.00 0.00 H new ATOM 1311 N ALA A 83 -2.381 -16.230 -2.081 1.00 0.00 N ATOM 1312 CA ALA A 83 -3.357 -16.417 -1.014 1.00 0.00 C ATOM 1313 C ALA A 83 -3.801 -17.873 -0.926 1.00 0.00 C ATOM 1314 O ALA A 83 -3.864 -18.574 -1.935 1.00 0.00 O ATOM 1315 CB ALA A 83 -4.557 -15.508 -1.233 1.00 0.00 C ATOM 0 H ALA A 83 -2.781 -15.937 -2.972 1.00 0.00 H new ATOM 0 HA ALA A 83 -2.883 -16.152 -0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.278 -15.657 -0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -4.230 -14.468 -1.238 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -5.024 -15.746 -2.189 1.00 0.00 H new ATOM 1321 N GLU A 84 -4.108 -18.320 0.288 1.00 0.00 N ATOM 1322 CA GLU A 84 -4.546 -19.694 0.507 1.00 0.00 C ATOM 1323 C GLU A 84 -6.007 -19.871 0.104 1.00 0.00 C ATOM 1324 O GLU A 84 -6.344 -20.765 -0.672 1.00 0.00 O ATOM 1325 CB GLU A 84 -4.359 -20.084 1.975 1.00 0.00 C ATOM 1326 CG GLU A 84 -2.926 -20.442 2.332 1.00 0.00 C ATOM 1327 CD GLU A 84 -2.591 -21.888 2.023 1.00 0.00 C ATOM 1328 OE1 GLU A 84 -2.224 -22.176 0.864 1.00 0.00 O ATOM 1329 OE2 GLU A 84 -2.696 -22.731 2.938 1.00 0.00 O ATOM 0 H GLU A 84 -4.062 -17.752 1.134 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.934 -20.347 -0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -4.686 -19.258 2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -5.004 -20.933 2.202 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.246 -19.790 1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.762 -20.254 3.393 1.00 0.00 H new ATOM 1336 N ASP A 85 -6.869 -19.012 0.637 1.00 0.00 N ATOM 1337 CA ASP A 85 -8.294 -19.071 0.333 1.00 0.00 C ATOM 1338 C ASP A 85 -8.758 -17.789 -0.351 1.00 0.00 C ATOM 1339 O ASP A 85 -8.116 -16.746 -0.235 1.00 0.00 O ATOM 1340 CB ASP A 85 -9.100 -19.302 1.612 1.00 0.00 C ATOM 1341 CG ASP A 85 -10.486 -19.850 1.332 1.00 0.00 C ATOM 1342 OD1 ASP A 85 -10.590 -21.038 0.964 1.00 0.00 O ATOM 1343 OD2 ASP A 85 -11.466 -19.090 1.481 1.00 0.00 O ATOM 0 H ASP A 85 -6.606 -18.267 1.282 1.00 0.00 H new ATOM 0 HA ASP A 85 -8.461 -19.905 -0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -8.561 -19.996 2.257 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -9.187 -18.362 2.158 1.00 0.00 H new ATOM 1348 N GLU A 86 -9.876 -17.877 -1.065 1.00 0.00 N ATOM 1349 CA GLU A 86 -10.424 -16.724 -1.770 1.00 0.00 C ATOM 1350 C GLU A 86 -10.653 -15.559 -0.811 1.00 0.00 C ATOM 1351 O GLU A 86 -10.436 -14.400 -1.164 1.00 0.00 O ATOM 1352 CB GLU A 86 -11.737 -17.097 -2.460 1.00 0.00 C ATOM 1353 CG GLU A 86 -11.552 -17.643 -3.866 1.00 0.00 C ATOM 1354 CD GLU A 86 -12.681 -18.564 -4.287 1.00 0.00 C ATOM 1355 OE1 GLU A 86 -12.841 -19.632 -3.661 1.00 0.00 O ATOM 1356 OE2 GLU A 86 -13.404 -18.216 -5.244 1.00 0.00 O ATOM 0 H GLU A 86 -10.419 -18.734 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.701 -16.414 -2.525 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -12.257 -17.841 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.378 -16.217 -2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -11.485 -16.812 -4.568 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.607 -18.184 -3.920 1.00 0.00 H new ATOM 1363 N GLN A 87 -11.094 -15.877 0.402 1.00 0.00 N ATOM 1364 CA GLN A 87 -11.354 -14.857 1.411 1.00 0.00 C ATOM 1365 C GLN A 87 -10.097 -14.043 1.699 1.00 0.00 C ATOM 1366 O GLN A 87 -10.142 -12.814 1.764 1.00 0.00 O ATOM 1367 CB GLN A 87 -11.864 -15.503 2.700 1.00 0.00 C ATOM 1368 CG GLN A 87 -10.756 -15.890 3.667 1.00 0.00 C ATOM 1369 CD GLN A 87 -11.288 -16.354 5.008 1.00 0.00 C ATOM 1370 OE1 GLN A 87 -11.421 -17.553 5.255 1.00 0.00 O ATOM 1371 NE2 GLN A 87 -11.595 -15.404 5.884 1.00 0.00 N ATOM 0 H GLN A 87 -11.279 -16.832 0.710 1.00 0.00 H new ATOM 0 HA GLN A 87 -12.119 -14.185 1.023 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.545 -14.812 3.198 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -12.441 -16.392 2.447 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -10.154 -16.684 3.225 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -10.096 -15.036 3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -11.469 -14.422 5.637 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -11.957 -15.656 6.804 1.00 0.00 H new ATOM 1380 N ASP A 88 -8.977 -14.735 1.872 1.00 0.00 N ATOM 1381 CA ASP A 88 -7.706 -14.077 2.153 1.00 0.00 C ATOM 1382 C ASP A 88 -7.302 -13.162 1.001 1.00 0.00 C ATOM 1383 O ASP A 88 -6.883 -12.025 1.216 1.00 0.00 O ATOM 1384 CB ASP A 88 -6.613 -15.116 2.403 1.00 0.00 C ATOM 1385 CG ASP A 88 -5.479 -14.572 3.250 1.00 0.00 C ATOM 1386 OD1 ASP A 88 -5.738 -14.182 4.407 1.00 0.00 O ATOM 1387 OD2 ASP A 88 -4.333 -14.536 2.755 1.00 0.00 O ATOM 0 H ASP A 88 -8.923 -15.752 1.823 1.00 0.00 H new ATOM 0 HA ASP A 88 -7.830 -13.470 3.050 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.048 -15.984 2.898 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -6.217 -15.459 1.447 1.00 0.00 H new ATOM 1392 N TYR A 89 -7.429 -13.667 -0.221 1.00 0.00 N ATOM 1393 CA TYR A 89 -7.074 -12.897 -1.407 1.00 0.00 C ATOM 1394 C TYR A 89 -8.016 -11.711 -1.589 1.00 0.00 C ATOM 1395 O TYR A 89 -7.610 -10.556 -1.459 1.00 0.00 O ATOM 1396 CB TYR A 89 -7.113 -13.788 -2.650 1.00 0.00 C ATOM 1397 CG TYR A 89 -6.995 -13.022 -3.948 1.00 0.00 C ATOM 1398 CD1 TYR A 89 -8.111 -12.447 -4.542 1.00 0.00 C ATOM 1399 CD2 TYR A 89 -5.766 -12.873 -4.580 1.00 0.00 C ATOM 1400 CE1 TYR A 89 -8.008 -11.747 -5.728 1.00 0.00 C ATOM 1401 CE2 TYR A 89 -5.654 -12.174 -5.766 1.00 0.00 C ATOM 1402 CZ TYR A 89 -6.777 -11.613 -6.336 1.00 0.00 C ATOM 1403 OH TYR A 89 -6.670 -10.915 -7.518 1.00 0.00 O ATOM 0 H TYR A 89 -7.775 -14.606 -0.416 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.062 -12.517 -1.272 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.302 -14.514 -2.592 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.046 -14.351 -2.654 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.076 -12.549 -4.068 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -4.884 -13.311 -4.136 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -8.886 -11.307 -6.177 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -4.692 -12.067 -6.244 1.00 0.00 H new ATOM 0 HH TYR A 89 -7.358 -10.218 -7.550 1.00 0.00 H new ATOM 1413 N VAL A 90 -9.277 -12.005 -1.890 1.00 0.00 N ATOM 1414 CA VAL A 90 -10.278 -10.964 -2.088 1.00 0.00 C ATOM 1415 C VAL A 90 -10.087 -9.822 -1.097 1.00 0.00 C ATOM 1416 O VAL A 90 -10.213 -8.651 -1.452 1.00 0.00 O ATOM 1417 CB VAL A 90 -11.706 -11.524 -1.941 1.00 0.00 C ATOM 1418 CG1 VAL A 90 -12.732 -10.408 -2.065 1.00 0.00 C ATOM 1419 CG2 VAL A 90 -11.960 -12.612 -2.973 1.00 0.00 C ATOM 0 H VAL A 90 -9.629 -12.956 -2.002 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.146 -10.586 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.805 -11.966 -0.950 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -13.735 -10.822 -1.959 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.560 -9.668 -1.284 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -12.637 -9.933 -3.042 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -12.973 -12.996 -2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -11.844 -12.198 -3.975 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -11.246 -13.423 -2.830 1.00 0.00 H new ATOM 1429 N ALA A 91 -9.783 -10.171 0.149 1.00 0.00 N ATOM 1430 CA ALA A 91 -9.572 -9.175 1.192 1.00 0.00 C ATOM 1431 C ALA A 91 -8.225 -8.481 1.023 1.00 0.00 C ATOM 1432 O ALA A 91 -8.161 -7.267 0.827 1.00 0.00 O ATOM 1433 CB ALA A 91 -9.666 -9.821 2.566 1.00 0.00 C ATOM 0 H ALA A 91 -9.677 -11.137 0.460 1.00 0.00 H new ATOM 0 HA ALA A 91 -10.354 -8.421 1.103 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -9.506 -9.065 3.335 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -10.654 -10.265 2.693 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -8.906 -10.597 2.656 1.00 0.00 H new ATOM 1439 N TRP A 92 -7.150 -9.258 1.102 1.00 0.00 N ATOM 1440 CA TRP A 92 -5.804 -8.716 0.959 1.00 0.00 C ATOM 1441 C TRP A 92 -5.762 -7.638 -0.118 1.00 0.00 C ATOM 1442 O TRP A 92 -5.188 -6.568 0.084 1.00 0.00 O ATOM 1443 CB TRP A 92 -4.816 -9.834 0.618 1.00 0.00 C ATOM 1444 CG TRP A 92 -4.204 -10.474 1.827 1.00 0.00 C ATOM 1445 CD1 TRP A 92 -4.264 -11.794 2.175 1.00 0.00 C ATOM 1446 CD2 TRP A 92 -3.441 -9.823 2.848 1.00 0.00 C ATOM 1447 NE1 TRP A 92 -3.584 -12.001 3.351 1.00 0.00 N ATOM 1448 CE2 TRP A 92 -3.069 -10.808 3.784 1.00 0.00 C ATOM 1449 CE3 TRP A 92 -3.034 -8.503 3.063 1.00 0.00 C ATOM 1450 CZ2 TRP A 92 -2.312 -10.513 4.914 1.00 0.00 C ATOM 1451 CZ3 TRP A 92 -2.282 -8.212 4.186 1.00 0.00 C ATOM 1452 CH2 TRP A 92 -1.927 -9.213 5.099 1.00 0.00 C ATOM 0 H TRP A 92 -7.185 -10.264 1.264 1.00 0.00 H new ATOM 0 HA TRP A 92 -5.518 -8.264 1.909 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -5.329 -10.597 0.032 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -4.023 -9.429 -0.011 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -4.771 -12.561 1.609 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -3.480 -12.898 3.825 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -3.302 -7.724 2.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -2.038 -11.283 5.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -1.963 -7.195 4.362 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -1.338 -8.954 5.966 1.00 0.00 H new ATOM 1463 N ILE A 93 -6.374 -7.927 -1.262 1.00 0.00 N ATOM 1464 CA ILE A 93 -6.407 -6.980 -2.370 1.00 0.00 C ATOM 1465 C ILE A 93 -7.183 -5.723 -1.995 1.00 0.00 C ATOM 1466 O ILE A 93 -6.766 -4.607 -2.307 1.00 0.00 O ATOM 1467 CB ILE A 93 -7.041 -7.606 -3.626 1.00 0.00 C ATOM 1468 CG1 ILE A 93 -6.209 -8.798 -4.105 1.00 0.00 C ATOM 1469 CG2 ILE A 93 -7.170 -6.566 -4.729 1.00 0.00 C ATOM 1470 CD1 ILE A 93 -4.865 -8.405 -4.677 1.00 0.00 C ATOM 0 H ILE A 93 -6.853 -8.809 -1.446 1.00 0.00 H new ATOM 0 HA ILE A 93 -5.373 -6.714 -2.589 1.00 0.00 H new ATOM 0 HB ILE A 93 -8.039 -7.963 -3.371 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -6.054 -9.481 -3.270 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -6.772 -9.343 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 93 -7.620 -7.024 -5.610 1.00 0.00 H new ATOM 0 HG22 ILE A 93 -7.800 -5.746 -4.384 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -6.182 -6.182 -4.984 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -4.330 -9.299 -4.996 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -5.012 -7.746 -5.532 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -4.283 -7.886 -3.915 1.00 0.00 H new ATOM 1482 N SER A 94 -8.315 -5.910 -1.323 1.00 0.00 N ATOM 1483 CA SER A 94 -9.151 -4.790 -0.907 1.00 0.00 C ATOM 1484 C SER A 94 -8.381 -3.850 0.014 1.00 0.00 C ATOM 1485 O SER A 94 -8.486 -2.628 -0.098 1.00 0.00 O ATOM 1486 CB SER A 94 -10.408 -5.301 -0.199 1.00 0.00 C ATOM 1487 OG SER A 94 -11.451 -4.344 -0.259 1.00 0.00 O ATOM 0 H SER A 94 -8.674 -6.826 -1.055 1.00 0.00 H new ATOM 0 HA SER A 94 -9.444 -4.236 -1.799 1.00 0.00 H new ATOM 0 HB2 SER A 94 -10.737 -6.232 -0.662 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.177 -5.527 0.842 1.00 0.00 H new ATOM 0 HG SER A 94 -12.145 -4.575 0.394 1.00 0.00 H new ATOM 1493 N VAL A 95 -7.606 -4.428 0.926 1.00 0.00 N ATOM 1494 CA VAL A 95 -6.816 -3.643 1.867 1.00 0.00 C ATOM 1495 C VAL A 95 -5.631 -2.982 1.173 1.00 0.00 C ATOM 1496 O VAL A 95 -5.598 -1.763 1.002 1.00 0.00 O ATOM 1497 CB VAL A 95 -6.297 -4.513 3.027 1.00 0.00 C ATOM 1498 CG1 VAL A 95 -6.198 -3.695 4.306 1.00 0.00 C ATOM 1499 CG2 VAL A 95 -7.196 -5.723 3.228 1.00 0.00 C ATOM 0 H VAL A 95 -7.508 -5.438 1.033 1.00 0.00 H new ATOM 0 HA VAL A 95 -7.475 -2.872 2.267 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.298 -4.868 2.773 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.830 -4.327 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -5.510 -2.863 4.153 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.183 -3.308 4.568 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.815 -6.327 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.208 -5.390 3.460 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -7.211 -6.321 2.317 1.00 0.00 H new ATOM 1509 N LEU A 96 -4.659 -3.794 0.772 1.00 0.00 N ATOM 1510 CA LEU A 96 -3.470 -3.289 0.095 1.00 0.00 C ATOM 1511 C LEU A 96 -3.809 -2.081 -0.773 1.00 0.00 C ATOM 1512 O LEU A 96 -3.071 -1.096 -0.801 1.00 0.00 O ATOM 1513 CB LEU A 96 -2.843 -4.388 -0.765 1.00 0.00 C ATOM 1514 CG LEU A 96 -2.403 -5.651 -0.024 1.00 0.00 C ATOM 1515 CD1 LEU A 96 -2.361 -6.839 -0.972 1.00 0.00 C ATOM 1516 CD2 LEU A 96 -1.045 -5.440 0.630 1.00 0.00 C ATOM 0 H LEU A 96 -4.671 -4.805 0.904 1.00 0.00 H new ATOM 0 HA LEU A 96 -2.754 -2.978 0.856 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -3.561 -4.674 -1.534 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -1.976 -3.971 -1.277 1.00 0.00 H new ATOM 0 HG LEU A 96 -3.132 -5.862 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -2.046 -7.729 -0.427 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -3.353 -7.004 -1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.654 -6.637 -1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.748 -6.349 1.153 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.306 -5.203 -0.135 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -1.108 -4.616 1.341 1.00 0.00 H new ATOM 1528 N THR A 97 -4.933 -2.163 -1.478 1.00 0.00 N ATOM 1529 CA THR A 97 -5.372 -1.077 -2.345 1.00 0.00 C ATOM 1530 C THR A 97 -6.035 0.036 -1.541 1.00 0.00 C ATOM 1531 O THR A 97 -5.732 1.213 -1.726 1.00 0.00 O ATOM 1532 CB THR A 97 -6.358 -1.577 -3.418 1.00 0.00 C ATOM 1533 OG1 THR A 97 -5.929 -2.847 -3.923 1.00 0.00 O ATOM 1534 CG2 THR A 97 -6.465 -0.580 -4.562 1.00 0.00 C ATOM 0 H THR A 97 -5.556 -2.971 -1.465 1.00 0.00 H new ATOM 0 HA THR A 97 -4.481 -0.686 -2.836 1.00 0.00 H new ATOM 0 HB THR A 97 -7.340 -1.682 -2.957 1.00 0.00 H new ATOM 0 HG1 THR A 97 -6.498 -3.555 -3.554 1.00 0.00 H new ATOM 0 HG21 THR A 97 -7.167 -0.955 -5.307 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.820 0.377 -4.179 1.00 0.00 H new ATOM 0 HG23 THR A 97 -5.485 -0.446 -5.021 1.00 0.00 H new ATOM 1542 N ASN A 98 -6.941 -0.347 -0.647 1.00 0.00 N ATOM 1543 CA ASN A 98 -7.648 0.619 0.186 1.00 0.00 C ATOM 1544 C ASN A 98 -6.664 1.513 0.936 1.00 0.00 C ATOM 1545 O ASN A 98 -6.623 2.725 0.722 1.00 0.00 O ATOM 1546 CB ASN A 98 -8.558 -0.103 1.182 1.00 0.00 C ATOM 1547 CG ASN A 98 -9.865 -0.546 0.554 1.00 0.00 C ATOM 1548 OD1 ASN A 98 -10.252 -0.060 -0.509 1.00 0.00 O ATOM 1549 ND2 ASN A 98 -10.553 -1.473 1.210 1.00 0.00 N ATOM 0 H ASN A 98 -7.203 -1.319 -0.481 1.00 0.00 H new ATOM 0 HA ASN A 98 -8.258 1.245 -0.465 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -8.037 -0.973 1.582 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -8.768 0.557 2.023 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -11.440 -1.810 0.836 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -10.194 -1.848 2.088 1.00 0.00 H new ATOM 1556 N SER A 99 -5.872 0.906 1.814 1.00 0.00 N ATOM 1557 CA SER A 99 -4.891 1.647 2.598 1.00 0.00 C ATOM 1558 C SER A 99 -4.129 2.635 1.721 1.00 0.00 C ATOM 1559 O SER A 99 -3.921 3.788 2.099 1.00 0.00 O ATOM 1560 CB SER A 99 -3.911 0.683 3.270 1.00 0.00 C ATOM 1561 OG SER A 99 -3.418 1.221 4.485 1.00 0.00 O ATOM 0 H SER A 99 -5.890 -0.097 2.000 1.00 0.00 H new ATOM 0 HA SER A 99 -5.424 2.207 3.367 1.00 0.00 H new ATOM 0 HB2 SER A 99 -4.407 -0.268 3.465 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.079 0.477 2.596 1.00 0.00 H new ATOM 0 HG SER A 99 -3.975 0.912 5.230 1.00 0.00 H new ATOM 1567 N LYS A 100 -3.714 2.175 0.545 1.00 0.00 N ATOM 1568 CA LYS A 100 -2.976 3.017 -0.389 1.00 0.00 C ATOM 1569 C LYS A 100 -3.728 4.316 -0.662 1.00 0.00 C ATOM 1570 O LYS A 100 -3.278 5.395 -0.280 1.00 0.00 O ATOM 1571 CB LYS A 100 -2.737 2.268 -1.702 1.00 0.00 C ATOM 1572 CG LYS A 100 -2.023 3.099 -2.755 1.00 0.00 C ATOM 1573 CD LYS A 100 -1.378 2.221 -3.814 1.00 0.00 C ATOM 1574 CE LYS A 100 -0.333 2.987 -4.611 1.00 0.00 C ATOM 1575 NZ LYS A 100 -0.940 4.094 -5.402 1.00 0.00 N ATOM 0 H LYS A 100 -3.876 1.223 0.216 1.00 0.00 H new ATOM 0 HA LYS A 100 -2.015 3.263 0.063 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.150 1.373 -1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -3.696 1.937 -2.101 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.733 3.778 -3.227 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.261 3.715 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -0.914 1.357 -3.339 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -2.145 1.840 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.415 3.394 -3.931 1.00 0.00 H new ATOM 0 HE3 LYS A 100 0.185 2.303 -5.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -0.198 4.581 -5.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -1.648 3.705 -6.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -1.398 4.770 -4.758 1.00 0.00 H new ATOM 1589 N GLU A 101 -4.875 4.203 -1.325 1.00 0.00 N ATOM 1590 CA GLU A 101 -5.688 5.369 -1.647 1.00 0.00 C ATOM 1591 C GLU A 101 -6.017 6.168 -0.389 1.00 0.00 C ATOM 1592 O GLU A 101 -5.740 7.364 -0.312 1.00 0.00 O ATOM 1593 CB GLU A 101 -6.980 4.940 -2.345 1.00 0.00 C ATOM 1594 CG GLU A 101 -6.750 4.195 -3.649 1.00 0.00 C ATOM 1595 CD GLU A 101 -6.536 5.129 -4.825 1.00 0.00 C ATOM 1596 OE1 GLU A 101 -7.017 6.280 -4.764 1.00 0.00 O ATOM 1597 OE2 GLU A 101 -5.887 4.708 -5.805 1.00 0.00 O ATOM 0 H GLU A 101 -5.261 3.316 -1.649 1.00 0.00 H new ATOM 0 HA GLU A 101 -5.114 6.006 -2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.554 4.305 -1.670 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -7.586 5.824 -2.544 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -5.881 3.545 -3.543 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -7.607 3.552 -3.852 1.00 0.00 H new ATOM 1604 N GLU A 102 -6.610 5.496 0.593 1.00 0.00 N ATOM 1605 CA GLU A 102 -6.979 6.143 1.846 1.00 0.00 C ATOM 1606 C GLU A 102 -5.822 6.979 2.387 1.00 0.00 C ATOM 1607 O GLU A 102 -6.032 7.967 3.091 1.00 0.00 O ATOM 1608 CB GLU A 102 -7.395 5.098 2.883 1.00 0.00 C ATOM 1609 CG GLU A 102 -8.654 4.335 2.506 1.00 0.00 C ATOM 1610 CD GLU A 102 -9.916 5.148 2.726 1.00 0.00 C ATOM 1611 OE1 GLU A 102 -9.861 6.385 2.566 1.00 0.00 O ATOM 1612 OE2 GLU A 102 -10.958 4.545 3.058 1.00 0.00 O ATOM 0 H GLU A 102 -6.845 4.505 0.545 1.00 0.00 H new ATOM 0 HA GLU A 102 -7.823 6.804 1.649 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -6.578 4.389 3.020 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.553 5.592 3.842 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -8.595 4.039 1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -8.709 3.419 3.094 1.00 0.00 H new ATOM 1619 N ALA A 103 -4.601 6.575 2.054 1.00 0.00 N ATOM 1620 CA ALA A 103 -3.411 7.286 2.504 1.00 0.00 C ATOM 1621 C ALA A 103 -3.074 8.441 1.567 1.00 0.00 C ATOM 1622 O ALA A 103 -2.499 9.446 1.986 1.00 0.00 O ATOM 1623 CB ALA A 103 -2.233 6.329 2.611 1.00 0.00 C ATOM 0 H ALA A 103 -4.410 5.758 1.474 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.618 7.702 3.490 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -1.351 6.874 2.948 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -2.468 5.541 3.326 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -2.035 5.886 1.635 1.00 0.00 H new ATOM 1629 N LEU A 104 -3.435 8.291 0.298 1.00 0.00 N ATOM 1630 CA LEU A 104 -3.171 9.322 -0.700 1.00 0.00 C ATOM 1631 C LEU A 104 -4.270 10.380 -0.695 1.00 0.00 C ATOM 1632 O LEU A 104 -4.009 11.561 -0.464 1.00 0.00 O ATOM 1633 CB LEU A 104 -3.057 8.696 -2.091 1.00 0.00 C ATOM 1634 CG LEU A 104 -1.659 8.234 -2.507 1.00 0.00 C ATOM 1635 CD1 LEU A 104 -1.739 7.314 -3.715 1.00 0.00 C ATOM 1636 CD2 LEU A 104 -0.768 9.431 -2.804 1.00 0.00 C ATOM 0 H LEU A 104 -3.911 7.465 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.227 9.804 -0.446 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -3.730 7.840 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.411 9.421 -2.824 1.00 0.00 H new ATOM 0 HG LEU A 104 -1.220 7.676 -1.680 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -0.735 6.995 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -2.341 6.440 -3.467 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.198 7.846 -4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 104 0.222 9.083 -3.098 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.203 10.016 -3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.684 10.052 -1.912 1.00 0.00 H new ATOM 1648 N THR A 105 -5.501 9.948 -0.948 1.00 0.00 N ATOM 1649 CA THR A 105 -6.640 10.857 -0.971 1.00 0.00 C ATOM 1650 C THR A 105 -6.625 11.788 0.236 1.00 0.00 C ATOM 1651 O THR A 105 -7.084 12.928 0.157 1.00 0.00 O ATOM 1652 CB THR A 105 -7.974 10.086 -0.993 1.00 0.00 C ATOM 1653 OG1 THR A 105 -9.036 10.956 -1.397 1.00 0.00 O ATOM 1654 CG2 THR A 105 -8.283 9.501 0.377 1.00 0.00 C ATOM 0 H THR A 105 -5.735 8.974 -1.140 1.00 0.00 H new ATOM 0 HA THR A 105 -6.554 11.447 -1.883 1.00 0.00 H new ATOM 0 HB THR A 105 -7.884 9.268 -1.708 1.00 0.00 H new ATOM 0 HG1 THR A 105 -9.880 10.458 -1.410 1.00 0.00 H new ATOM 0 HG21 THR A 105 -9.229 8.961 0.337 1.00 0.00 H new ATOM 0 HG22 THR A 105 -7.487 8.816 0.668 1.00 0.00 H new ATOM 0 HG23 THR A 105 -8.355 10.306 1.109 1.00 0.00 H new