USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 682 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 19 THR OG1 : rot -164:sc= 0.948 USER MOD Set 1.2: A 70 GLN : amide:sc= 0.429 K(o=1.4,f=0.58) USER MOD Set 2.1: A 33 HIS : no HD1:sc= -2.72! C(o=-3.7!,f=-7.2!) USER MOD Set 2.2: A 34 ASN : amide:sc= -0.983 K(o=-3.7,f=-4.6!) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -68:sc= 0.422 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.45 K(o=-1.5,f=-4!) USER MOD Single : A 40 TYR OH : rot 165:sc= -0.283 USER MOD Single : A 43 ASN : amide:sc= -1.93 K(o=-1.9,f=-0.32) USER MOD Single : A 46 GLN : amide:sc= -1.58! C(o=-1.6!,f=-2.1!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ -126:sc= -0.123 (180deg=-0.743) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 106 ASN : amide:sc= -2.56 K(o=-2.6,f=-1.9) USER MOD Single : A 109 SER OG : rot 171:sc= -0.137 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 32 N LEU A 3 7.436 9.450 2.514 1.00 1.00 N ATOM 33 CA LEU A 3 6.199 8.881 3.097 1.00 1.00 C ATOM 34 C LEU A 3 6.084 7.355 2.781 1.00 1.00 C ATOM 35 O LEU A 3 6.410 6.965 1.661 1.00 1.00 O ATOM 36 CB LEU A 3 4.951 9.645 2.565 1.00 1.00 C ATOM 37 CG LEU A 3 4.704 11.003 3.319 1.00 1.00 C ATOM 38 CD1 LEU A 3 4.247 10.806 4.799 1.00 1.00 C ATOM 39 CD2 LEU A 3 5.963 11.906 3.265 1.00 1.00 C ATOM 0 HA LEU A 3 6.245 8.998 4.180 1.00 1.00 H new ATOM 0 HB2 LEU A 3 5.078 9.843 1.501 1.00 1.00 H new ATOM 0 HB3 LEU A 3 4.070 9.011 2.669 1.00 1.00 H new ATOM 0 HG LEU A 3 3.885 11.496 2.794 1.00 1.00 H new ATOM 0 HD11 LEU A 3 4.093 11.779 5.265 1.00 1.00 H new ATOM 0 HD12 LEU A 3 3.314 10.242 4.820 1.00 1.00 H new ATOM 0 HD13 LEU A 3 5.014 10.259 5.347 1.00 1.00 H new ATOM 0 HD21 LEU A 3 5.765 12.838 3.794 1.00 1.00 H new ATOM 0 HD22 LEU A 3 6.800 11.392 3.737 1.00 1.00 H new ATOM 0 HD23 LEU A 3 6.210 12.124 2.226 1.00 1.00 H new ATOM 51 N PRO A 4 5.645 6.538 3.700 1.00 1.00 N ATOM 52 CA PRO A 4 5.531 5.050 3.435 1.00 1.00 C ATOM 53 C PRO A 4 4.712 4.735 2.168 1.00 1.00 C ATOM 54 O PRO A 4 4.940 3.737 1.484 1.00 1.00 O ATOM 55 CB PRO A 4 4.807 4.500 4.702 1.00 1.00 C ATOM 56 CG PRO A 4 5.170 5.475 5.776 1.00 1.00 C ATOM 57 CD PRO A 4 5.165 6.850 5.081 1.00 1.00 C ATOM 0 HA PRO A 4 6.508 4.599 3.260 1.00 1.00 H new ATOM 0 HB2 PRO A 4 3.728 4.450 4.556 1.00 1.00 H new ATOM 0 HB3 PRO A 4 5.142 3.492 4.948 1.00 1.00 H new ATOM 0 HG2 PRO A 4 4.453 5.444 6.596 1.00 1.00 H new ATOM 0 HG3 PRO A 4 6.149 5.250 6.200 1.00 1.00 H new ATOM 0 HD2 PRO A 4 4.169 7.292 5.070 1.00 1.00 H new ATOM 0 HD3 PRO A 4 5.823 7.558 5.585 1.00 1.00 H new ATOM 65 N ILE A 5 3.733 5.593 1.896 1.00 1.00 N ATOM 66 CA ILE A 5 2.834 5.421 0.723 1.00 1.00 C ATOM 67 C ILE A 5 3.090 6.532 -0.310 1.00 1.00 C ATOM 68 O ILE A 5 3.091 7.719 0.017 1.00 1.00 O ATOM 69 CB ILE A 5 1.348 5.459 1.203 1.00 1.00 C ATOM 70 CG1 ILE A 5 1.107 4.309 2.236 1.00 1.00 C ATOM 71 CG2 ILE A 5 0.374 5.281 -0.006 1.00 1.00 C ATOM 72 CD1 ILE A 5 -0.245 4.475 2.938 1.00 1.00 C ATOM 0 H ILE A 5 3.530 6.417 2.461 1.00 1.00 H new ATOM 0 HA ILE A 5 3.035 4.460 0.250 1.00 1.00 H new ATOM 0 HB ILE A 5 1.155 6.426 1.669 1.00 1.00 H new ATOM 0 HG12 ILE A 5 1.141 3.346 1.727 1.00 1.00 H new ATOM 0 HG13 ILE A 5 1.907 4.307 2.976 1.00 1.00 H new ATOM 0 HG21 ILE A 5 -0.656 5.310 0.349 1.00 1.00 H new ATOM 0 HG22 ILE A 5 0.534 6.086 -0.723 1.00 1.00 H new ATOM 0 HG23 ILE A 5 0.564 4.322 -0.488 1.00 1.00 H new ATOM 0 HD11 ILE A 5 -0.387 3.663 3.651 1.00 1.00 H new ATOM 0 HD12 ILE A 5 -0.266 5.428 3.466 1.00 1.00 H new ATOM 0 HD13 ILE A 5 -1.045 4.452 2.198 1.00 1.00 H new ATOM 84 N THR A 6 3.274 6.127 -1.563 1.00 1.00 N ATOM 85 CA THR A 6 3.509 7.091 -2.673 1.00 1.00 C ATOM 86 C THR A 6 2.640 6.721 -3.878 1.00 1.00 C ATOM 87 O THR A 6 2.730 5.619 -4.422 1.00 1.00 O ATOM 88 CB THR A 6 5.004 7.084 -3.077 1.00 1.00 C ATOM 89 OG1 THR A 6 5.798 7.279 -1.916 1.00 1.00 O ATOM 90 CG2 THR A 6 5.309 8.219 -4.083 1.00 1.00 C ATOM 0 H THR A 6 3.268 5.148 -1.851 1.00 1.00 H new ATOM 0 HA THR A 6 3.240 8.092 -2.334 1.00 1.00 H new ATOM 0 HB THR A 6 5.233 6.127 -3.545 1.00 1.00 H new ATOM 0 HG1 THR A 6 6.746 7.274 -2.164 1.00 1.00 H new ATOM 0 HG21 THR A 6 6.365 8.193 -4.351 1.00 1.00 H new ATOM 0 HG22 THR A 6 4.703 8.083 -4.979 1.00 1.00 H new ATOM 0 HG23 THR A 6 5.074 9.181 -3.628 1.00 1.00 H new ATOM 98 N LEU A 7 1.802 7.666 -4.293 1.00 1.00 N ATOM 99 CA LEU A 7 0.891 7.469 -5.434 1.00 1.00 C ATOM 100 C LEU A 7 1.430 8.191 -6.684 1.00 1.00 C ATOM 101 O LEU A 7 2.063 9.242 -6.574 1.00 1.00 O ATOM 102 CB LEU A 7 -0.496 8.024 -5.039 1.00 1.00 C ATOM 103 CG LEU A 7 -0.969 7.439 -3.667 1.00 1.00 C ATOM 104 CD1 LEU A 7 -2.364 8.001 -3.329 1.00 1.00 C ATOM 105 CD2 LEU A 7 -1.011 5.880 -3.679 1.00 1.00 C ATOM 0 H LEU A 7 1.729 8.585 -3.857 1.00 1.00 H new ATOM 0 HA LEU A 7 0.813 6.409 -5.675 1.00 1.00 H new ATOM 0 HB2 LEU A 7 -0.452 9.111 -4.978 1.00 1.00 H new ATOM 0 HB3 LEU A 7 -1.223 7.778 -5.813 1.00 1.00 H new ATOM 0 HG LEU A 7 -0.248 7.738 -2.906 1.00 1.00 H new ATOM 0 HD11 LEU A 7 -2.698 7.596 -2.374 1.00 1.00 H new ATOM 0 HD12 LEU A 7 -2.313 9.088 -3.264 1.00 1.00 H new ATOM 0 HD13 LEU A 7 -3.070 7.717 -4.110 1.00 1.00 H new ATOM 0 HD21 LEU A 7 -1.345 5.518 -2.707 1.00 1.00 H new ATOM 0 HD22 LEU A 7 -1.703 5.541 -4.450 1.00 1.00 H new ATOM 0 HD23 LEU A 7 -0.015 5.491 -3.889 1.00 1.00 H new ATOM 117 N SER A 8 1.171 7.623 -7.857 1.00 1.00 N ATOM 118 CA SER A 8 1.628 8.207 -9.140 1.00 1.00 C ATOM 119 C SER A 8 0.531 9.086 -9.740 1.00 1.00 C ATOM 120 O SER A 8 -0.171 8.695 -10.671 1.00 1.00 O ATOM 121 CB SER A 8 1.988 7.089 -10.133 1.00 1.00 C ATOM 122 OG SER A 8 2.379 7.675 -11.369 1.00 1.00 O ATOM 0 H SER A 8 0.646 6.755 -7.959 1.00 1.00 H new ATOM 0 HA SER A 8 2.511 8.816 -8.948 1.00 1.00 H new ATOM 0 HB2 SER A 8 2.797 6.477 -9.734 1.00 1.00 H new ATOM 0 HB3 SER A 8 1.133 6.429 -10.283 1.00 1.00 H new ATOM 0 HG SER A 8 2.612 6.968 -12.007 1.00 1.00 H new ATOM 128 N LYS A 9 0.404 10.291 -9.194 1.00 1.00 N ATOM 129 CA LYS A 9 -0.605 11.293 -9.603 1.00 1.00 C ATOM 130 C LYS A 9 0.076 12.530 -10.225 1.00 1.00 C ATOM 131 O LYS A 9 -0.083 13.650 -9.742 1.00 1.00 O ATOM 132 CB LYS A 9 -1.522 11.660 -8.381 1.00 1.00 C ATOM 133 CG LYS A 9 -0.747 11.651 -7.033 1.00 1.00 C ATOM 134 CD LYS A 9 0.394 12.692 -7.029 1.00 1.00 C ATOM 135 CE LYS A 9 1.084 12.723 -5.653 1.00 1.00 C ATOM 136 NZ LYS A 9 2.206 13.700 -5.692 1.00 1.00 N ATOM 0 H LYS A 9 1.007 10.616 -8.438 1.00 1.00 H new ATOM 0 HA LYS A 9 -1.246 10.868 -10.376 1.00 1.00 H new ATOM 0 HB2 LYS A 9 -1.957 12.647 -8.540 1.00 1.00 H new ATOM 0 HB3 LYS A 9 -2.349 10.952 -8.326 1.00 1.00 H new ATOM 0 HG2 LYS A 9 -1.436 11.861 -6.215 1.00 1.00 H new ATOM 0 HG3 LYS A 9 -0.335 10.658 -6.856 1.00 1.00 H new ATOM 0 HD2 LYS A 9 1.122 12.447 -7.803 1.00 1.00 H new ATOM 0 HD3 LYS A 9 -0.004 13.679 -7.266 1.00 1.00 H new ATOM 0 HE2 LYS A 9 0.368 13.003 -4.880 1.00 1.00 H new ATOM 0 HE3 LYS A 9 1.458 11.731 -5.397 1.00 1.00 H new ATOM 0 HZ1 LYS A 9 2.676 13.726 -4.765 1.00 1.00 H new ATOM 0 HZ2 LYS A 9 2.891 13.413 -6.420 1.00 1.00 H new ATOM 0 HZ3 LYS A 9 1.836 14.645 -5.918 1.00 1.00 H new ATOM 150 N GLU A 10 0.829 12.303 -11.295 1.00 1.00 N ATOM 151 CA GLU A 10 1.551 13.398 -11.974 1.00 1.00 C ATOM 152 C GLU A 10 0.586 14.541 -12.344 1.00 1.00 C ATOM 153 O GLU A 10 0.949 15.717 -12.312 1.00 1.00 O ATOM 154 CB GLU A 10 2.259 12.837 -13.233 1.00 1.00 C ATOM 155 CG GLU A 10 3.194 13.893 -13.890 1.00 1.00 C ATOM 156 CD GLU A 10 4.383 14.230 -12.981 1.00 1.00 C ATOM 157 OE1 GLU A 10 4.764 13.384 -12.190 1.00 1.00 O ATOM 158 OE2 GLU A 10 4.888 15.336 -13.090 1.00 1.00 O ATOM 0 H GLU A 10 0.962 11.383 -11.716 1.00 1.00 H new ATOM 0 HA GLU A 10 2.301 13.810 -11.299 1.00 1.00 H new ATOM 0 HB2 GLU A 10 2.841 11.956 -12.961 1.00 1.00 H new ATOM 0 HB3 GLU A 10 1.511 12.514 -13.957 1.00 1.00 H new ATOM 0 HG2 GLU A 10 3.560 13.514 -14.844 1.00 1.00 H new ATOM 0 HG3 GLU A 10 2.628 14.800 -14.103 1.00 1.00 H new ATOM 165 N THR A 11 -0.647 14.173 -12.671 1.00 1.00 N ATOM 166 CA THR A 11 -1.694 15.169 -13.048 1.00 1.00 C ATOM 167 C THR A 11 -2.979 14.976 -12.190 1.00 1.00 C ATOM 168 O THR A 11 -3.446 13.840 -12.098 1.00 1.00 O ATOM 169 CB THR A 11 -2.049 15.015 -14.556 1.00 1.00 C ATOM 170 OG1 THR A 11 -3.234 15.749 -14.836 1.00 1.00 O ATOM 171 CG2 THR A 11 -2.272 13.537 -14.934 1.00 1.00 C ATOM 0 H THR A 11 -0.964 13.204 -12.689 1.00 1.00 H new ATOM 0 HA THR A 11 -1.299 16.168 -12.863 1.00 1.00 H new ATOM 0 HB THR A 11 -1.214 15.398 -15.142 1.00 1.00 H new ATOM 0 HG1 THR A 11 -3.460 15.656 -15.785 1.00 1.00 H new ATOM 0 HG21 THR A 11 -2.518 13.466 -15.993 1.00 1.00 H new ATOM 0 HG22 THR A 11 -1.364 12.969 -14.733 1.00 1.00 H new ATOM 0 HG23 THR A 11 -3.092 13.130 -14.343 1.00 1.00 H new ATOM 179 N PRO A 12 -3.551 16.008 -11.634 1.00 1.00 N ATOM 180 CA PRO A 12 -4.818 15.837 -10.829 1.00 1.00 C ATOM 181 C PRO A 12 -6.059 15.759 -11.741 1.00 1.00 C ATOM 182 O PRO A 12 -6.503 16.769 -12.283 1.00 1.00 O ATOM 183 CB PRO A 12 -4.822 17.097 -9.937 1.00 1.00 C ATOM 184 CG PRO A 12 -4.264 18.163 -10.842 1.00 1.00 C ATOM 185 CD PRO A 12 -3.133 17.452 -11.633 1.00 1.00 C ATOM 0 HA PRO A 12 -4.851 14.912 -10.254 1.00 1.00 H new ATOM 0 HB2 PRO A 12 -5.827 17.345 -9.595 1.00 1.00 H new ATOM 0 HB3 PRO A 12 -4.207 16.962 -9.047 1.00 1.00 H new ATOM 0 HG2 PRO A 12 -5.030 18.556 -11.511 1.00 1.00 H new ATOM 0 HG3 PRO A 12 -3.878 19.007 -10.270 1.00 1.00 H new ATOM 0 HD2 PRO A 12 -3.046 17.844 -12.646 1.00 1.00 H new ATOM 0 HD3 PRO A 12 -2.163 17.588 -11.154 1.00 1.00 H new ATOM 193 N PHE A 13 -6.605 14.556 -11.887 1.00 1.00 N ATOM 194 CA PHE A 13 -7.799 14.360 -12.730 1.00 1.00 C ATOM 195 C PHE A 13 -8.381 12.944 -12.521 1.00 1.00 C ATOM 196 O PHE A 13 -7.730 11.938 -12.806 1.00 1.00 O ATOM 197 CB PHE A 13 -7.451 14.585 -14.234 1.00 1.00 C ATOM 198 CG PHE A 13 -8.735 14.806 -15.052 1.00 1.00 C ATOM 199 CD1 PHE A 13 -9.307 16.093 -15.123 1.00 1.00 C ATOM 200 CD2 PHE A 13 -9.353 13.736 -15.727 1.00 1.00 C ATOM 201 CE1 PHE A 13 -10.479 16.304 -15.860 1.00 1.00 C ATOM 202 CE2 PHE A 13 -10.527 13.954 -16.463 1.00 1.00 C ATOM 203 CZ PHE A 13 -11.088 15.237 -16.529 1.00 1.00 C ATOM 0 H PHE A 13 -6.253 13.708 -11.443 1.00 1.00 H new ATOM 0 HA PHE A 13 -8.551 15.092 -12.435 1.00 1.00 H new ATOM 0 HB2 PHE A 13 -6.793 15.448 -14.337 1.00 1.00 H new ATOM 0 HB3 PHE A 13 -6.909 13.723 -14.622 1.00 1.00 H new ATOM 0 HD1 PHE A 13 -8.840 16.919 -14.607 1.00 1.00 H new ATOM 0 HD2 PHE A 13 -8.923 12.747 -15.678 1.00 1.00 H new ATOM 0 HE1 PHE A 13 -10.913 17.292 -15.912 1.00 1.00 H new ATOM 0 HE2 PHE A 13 -11.000 13.132 -16.980 1.00 1.00 H new ATOM 0 HZ PHE A 13 -11.992 15.402 -17.097 1.00 1.00 H new ATOM 213 N GLU A 14 -9.612 12.892 -12.020 1.00 1.00 N ATOM 214 CA GLU A 14 -10.294 11.607 -11.773 1.00 1.00 C ATOM 215 C GLU A 14 -10.328 10.741 -13.053 1.00 1.00 C ATOM 216 O GLU A 14 -10.326 11.270 -14.166 1.00 1.00 O ATOM 217 CB GLU A 14 -11.731 11.878 -11.234 1.00 1.00 C ATOM 218 CG GLU A 14 -12.323 10.628 -10.510 1.00 1.00 C ATOM 219 CD GLU A 14 -11.611 10.378 -9.171 1.00 1.00 C ATOM 220 OE1 GLU A 14 -11.876 11.117 -8.237 1.00 1.00 O ATOM 221 OE2 GLU A 14 -10.815 9.456 -9.105 1.00 1.00 O ATOM 0 H GLU A 14 -10.163 13.715 -11.775 1.00 1.00 H new ATOM 0 HA GLU A 14 -9.737 11.047 -11.022 1.00 1.00 H new ATOM 0 HB2 GLU A 14 -11.707 12.721 -10.543 1.00 1.00 H new ATOM 0 HB3 GLU A 14 -12.382 12.162 -12.061 1.00 1.00 H new ATOM 0 HG2 GLU A 14 -13.389 10.775 -10.337 1.00 1.00 H new ATOM 0 HG3 GLU A 14 -12.221 9.751 -11.149 1.00 1.00 H new ATOM 228 N GLY A 15 -10.340 9.424 -12.878 1.00 1.00 N ATOM 229 CA GLY A 15 -10.357 8.479 -14.021 1.00 1.00 C ATOM 230 C GLY A 15 -8.937 8.062 -14.408 1.00 1.00 C ATOM 231 O GLY A 15 -8.732 7.013 -15.019 1.00 1.00 O ATOM 0 H GLY A 15 -10.338 8.974 -11.963 1.00 1.00 H new ATOM 0 HA2 GLY A 15 -10.941 7.596 -13.759 1.00 1.00 H new ATOM 0 HA3 GLY A 15 -10.849 8.944 -14.875 1.00 1.00 H new ATOM 235 N GLU A 16 -7.965 8.889 -14.040 1.00 1.00 N ATOM 236 CA GLU A 16 -6.553 8.593 -14.357 1.00 1.00 C ATOM 237 C GLU A 16 -6.051 7.453 -13.471 1.00 1.00 C ATOM 238 O GLU A 16 -6.143 7.510 -12.245 1.00 1.00 O ATOM 239 CB GLU A 16 -5.656 9.844 -14.142 1.00 1.00 C ATOM 240 CG GLU A 16 -5.980 10.964 -15.161 1.00 1.00 C ATOM 241 CD GLU A 16 -5.644 10.533 -16.593 1.00 1.00 C ATOM 242 OE1 GLU A 16 -4.687 9.792 -16.760 1.00 1.00 O ATOM 243 OE2 GLU A 16 -6.348 10.950 -17.498 1.00 1.00 O ATOM 0 H GLU A 16 -8.114 9.759 -13.529 1.00 1.00 H new ATOM 0 HA GLU A 16 -6.496 8.301 -15.406 1.00 1.00 H new ATOM 0 HB2 GLU A 16 -5.796 10.222 -13.129 1.00 1.00 H new ATOM 0 HB3 GLU A 16 -4.608 9.560 -14.234 1.00 1.00 H new ATOM 0 HG2 GLU A 16 -7.037 11.222 -15.096 1.00 1.00 H new ATOM 0 HG3 GLU A 16 -5.416 11.862 -14.908 1.00 1.00 H new ATOM 250 N GLU A 17 -5.507 6.420 -14.108 1.00 1.00 N ATOM 251 CA GLU A 17 -4.980 5.272 -13.372 1.00 1.00 C ATOM 252 C GLU A 17 -3.777 5.711 -12.521 1.00 1.00 C ATOM 253 O GLU A 17 -2.861 6.369 -13.014 1.00 1.00 O ATOM 254 CB GLU A 17 -4.566 4.155 -14.365 1.00 1.00 C ATOM 255 CG GLU A 17 -4.174 2.866 -13.602 1.00 1.00 C ATOM 256 CD GLU A 17 -3.782 1.756 -14.579 1.00 1.00 C ATOM 257 OE1 GLU A 17 -2.653 1.774 -15.042 1.00 1.00 O ATOM 258 OE2 GLU A 17 -4.614 0.904 -14.845 1.00 1.00 O ATOM 0 H GLU A 17 -5.419 6.353 -15.122 1.00 1.00 H new ATOM 0 HA GLU A 17 -5.752 4.879 -12.710 1.00 1.00 H new ATOM 0 HB2 GLU A 17 -5.389 3.944 -15.047 1.00 1.00 H new ATOM 0 HB3 GLU A 17 -3.727 4.494 -14.973 1.00 1.00 H new ATOM 0 HG2 GLU A 17 -3.343 3.075 -12.929 1.00 1.00 H new ATOM 0 HG3 GLU A 17 -5.009 2.535 -12.984 1.00 1.00 H new ATOM 265 N ILE A 18 -3.788 5.321 -11.251 1.00 1.00 N ATOM 266 CA ILE A 18 -2.683 5.669 -10.316 1.00 1.00 C ATOM 267 C ILE A 18 -2.036 4.394 -9.786 1.00 1.00 C ATOM 268 O ILE A 18 -2.697 3.371 -9.600 1.00 1.00 O ATOM 269 CB ILE A 18 -3.216 6.542 -9.135 1.00 1.00 C ATOM 270 CG1 ILE A 18 -4.441 5.855 -8.455 1.00 1.00 C ATOM 271 CG2 ILE A 18 -3.620 7.943 -9.666 1.00 1.00 C ATOM 272 CD1 ILE A 18 -4.847 6.615 -7.175 1.00 1.00 C ATOM 0 H ILE A 18 -4.536 4.768 -10.832 1.00 1.00 H new ATOM 0 HA ILE A 18 -1.935 6.249 -10.856 1.00 1.00 H new ATOM 0 HB ILE A 18 -2.426 6.650 -8.392 1.00 1.00 H new ATOM 0 HG12 ILE A 18 -5.281 5.826 -9.149 1.00 1.00 H new ATOM 0 HG13 ILE A 18 -4.195 4.822 -8.209 1.00 1.00 H new ATOM 0 HG21 ILE A 18 -3.992 8.551 -8.841 1.00 1.00 H new ATOM 0 HG22 ILE A 18 -2.751 8.428 -10.112 1.00 1.00 H new ATOM 0 HG23 ILE A 18 -4.401 7.836 -10.418 1.00 1.00 H new ATOM 0 HD11 ILE A 18 -5.703 6.121 -6.715 1.00 1.00 H new ATOM 0 HD12 ILE A 18 -4.012 6.621 -6.475 1.00 1.00 H new ATOM 0 HD13 ILE A 18 -5.114 7.641 -7.430 1.00 1.00 H new ATOM 284 N THR A 19 -0.733 4.467 -9.537 1.00 1.00 N ATOM 285 CA THR A 19 0.033 3.320 -9.027 1.00 1.00 C ATOM 286 C THR A 19 0.115 3.392 -7.505 1.00 1.00 C ATOM 287 O THR A 19 0.630 4.359 -6.944 1.00 1.00 O ATOM 288 CB THR A 19 1.458 3.341 -9.635 1.00 1.00 C ATOM 289 OG1 THR A 19 1.356 3.339 -11.051 1.00 1.00 O ATOM 290 CG2 THR A 19 2.274 2.103 -9.193 1.00 1.00 C ATOM 0 H THR A 19 -0.177 5.310 -9.679 1.00 1.00 H new ATOM 0 HA THR A 19 -0.466 2.393 -9.312 1.00 1.00 H new ATOM 0 HB THR A 19 1.969 4.238 -9.284 1.00 1.00 H new ATOM 0 HG1 THR A 19 2.222 3.098 -11.441 1.00 1.00 H new ATOM 0 HG21 THR A 19 3.269 2.146 -9.636 1.00 1.00 H new ATOM 0 HG22 THR A 19 2.360 2.093 -8.106 1.00 1.00 H new ATOM 0 HG23 THR A 19 1.768 1.196 -9.525 1.00 1.00 H new ATOM 298 N VAL A 20 -0.386 2.354 -6.845 1.00 1.00 N ATOM 299 CA VAL A 20 -0.371 2.300 -5.368 1.00 1.00 C ATOM 300 C VAL A 20 0.788 1.416 -4.898 1.00 1.00 C ATOM 301 O VAL A 20 0.853 0.237 -5.248 1.00 1.00 O ATOM 302 CB VAL A 20 -1.726 1.738 -4.847 1.00 1.00 C ATOM 303 CG1 VAL A 20 -1.813 1.878 -3.303 1.00 1.00 C ATOM 304 CG2 VAL A 20 -2.895 2.516 -5.501 1.00 1.00 C ATOM 0 H VAL A 20 -0.806 1.540 -7.294 1.00 1.00 H new ATOM 0 HA VAL A 20 -0.233 3.305 -4.969 1.00 1.00 H new ATOM 0 HB VAL A 20 -1.792 0.682 -5.110 1.00 1.00 H new ATOM 0 HG11 VAL A 20 -2.766 1.480 -2.955 1.00 1.00 H new ATOM 0 HG12 VAL A 20 -0.997 1.322 -2.841 1.00 1.00 H new ATOM 0 HG13 VAL A 20 -1.736 2.930 -3.028 1.00 1.00 H new ATOM 0 HG21 VAL A 20 -3.844 2.122 -5.136 1.00 1.00 H new ATOM 0 HG22 VAL A 20 -2.818 3.572 -5.244 1.00 1.00 H new ATOM 0 HG23 VAL A 20 -2.847 2.402 -6.584 1.00 1.00 H new ATOM 314 N SER A 21 1.686 1.983 -4.100 1.00 1.00 N ATOM 315 CA SER A 21 2.857 1.254 -3.568 1.00 1.00 C ATOM 316 C SER A 21 2.866 1.332 -2.042 1.00 1.00 C ATOM 317 O SER A 21 2.674 2.394 -1.449 1.00 1.00 O ATOM 318 CB SER A 21 4.159 1.880 -4.105 1.00 1.00 C ATOM 319 OG SER A 21 4.223 3.242 -3.709 1.00 1.00 O ATOM 0 H SER A 21 1.633 2.956 -3.798 1.00 1.00 H new ATOM 0 HA SER A 21 2.793 0.213 -3.886 1.00 1.00 H new ATOM 0 HB2 SER A 21 5.023 1.337 -3.721 1.00 1.00 H new ATOM 0 HB3 SER A 21 4.192 1.803 -5.192 1.00 1.00 H new ATOM 0 HG SER A 21 3.525 3.751 -4.173 1.00 1.00 H new ATOM 325 N ALA A 22 3.111 0.187 -1.413 1.00 1.00 N ATOM 326 CA ALA A 22 3.154 0.088 0.058 1.00 1.00 C ATOM 327 C ALA A 22 4.501 -0.497 0.508 1.00 1.00 C ATOM 328 O ALA A 22 4.863 -1.615 0.139 1.00 1.00 O ATOM 329 CB ALA A 22 2.003 -0.822 0.508 1.00 1.00 C ATOM 0 H ALA A 22 3.285 -0.695 -1.895 1.00 1.00 H new ATOM 0 HA ALA A 22 3.047 1.076 0.506 1.00 1.00 H new ATOM 0 HB1 ALA A 22 2.013 -0.911 1.594 1.00 1.00 H new ATOM 0 HB2 ALA A 22 1.053 -0.393 0.188 1.00 1.00 H new ATOM 0 HB3 ALA A 22 2.124 -1.809 0.062 1.00 1.00 H new ATOM 335 N ARG A 23 5.229 0.271 1.313 1.00 1.00 N ATOM 336 CA ARG A 23 6.543 -0.175 1.813 1.00 1.00 C ATOM 337 C ARG A 23 6.363 -1.018 3.080 1.00 1.00 C ATOM 338 O ARG A 23 5.780 -0.562 4.064 1.00 1.00 O ATOM 339 CB ARG A 23 7.434 1.049 2.118 1.00 1.00 C ATOM 340 CG ARG A 23 7.697 1.854 0.823 1.00 1.00 C ATOM 341 CD ARG A 23 8.633 3.041 1.111 1.00 1.00 C ATOM 342 NE ARG A 23 8.871 3.811 -0.117 1.00 1.00 N ATOM 343 CZ ARG A 23 9.812 4.762 -0.189 1.00 1.00 C ATOM 344 NH1 ARG A 23 10.563 5.030 0.847 1.00 1.00 N ATOM 345 NH2 ARG A 23 9.984 5.426 -1.301 1.00 1.00 N ATOM 0 H ARG A 23 4.944 1.196 1.635 1.00 1.00 H new ATOM 0 HA ARG A 23 7.025 -0.783 1.048 1.00 1.00 H new ATOM 0 HB2 ARG A 23 6.949 1.685 2.858 1.00 1.00 H new ATOM 0 HB3 ARG A 23 8.380 0.721 2.550 1.00 1.00 H new ATOM 0 HG2 ARG A 23 8.143 1.206 0.068 1.00 1.00 H new ATOM 0 HG3 ARG A 23 6.754 2.217 0.415 1.00 1.00 H new ATOM 0 HD2 ARG A 23 8.192 3.684 1.872 1.00 1.00 H new ATOM 0 HD3 ARG A 23 9.580 2.678 1.510 1.00 1.00 H new ATOM 0 HE ARG A 23 8.302 3.616 -0.941 1.00 1.00 H new ATOM 0 HH11 ARG A 23 10.434 4.514 1.717 1.00 1.00 H new ATOM 0 HH12 ARG A 23 11.277 5.755 0.785 1.00 1.00 H new ATOM 0 HH21 ARG A 23 9.402 5.220 -2.113 1.00 1.00 H new ATOM 0 HH22 ARG A 23 10.700 6.150 -1.357 1.00 1.00 H new ATOM 359 N VAL A 24 6.875 -2.244 3.045 1.00 1.00 N ATOM 360 CA VAL A 24 6.782 -3.174 4.191 1.00 1.00 C ATOM 361 C VAL A 24 8.151 -3.327 4.861 1.00 1.00 C ATOM 362 O VAL A 24 9.149 -3.602 4.193 1.00 1.00 O ATOM 363 CB VAL A 24 6.256 -4.553 3.694 1.00 1.00 C ATOM 364 CG1 VAL A 24 4.900 -4.343 2.973 1.00 1.00 C ATOM 365 CG2 VAL A 24 7.249 -5.236 2.713 1.00 1.00 C ATOM 0 H VAL A 24 7.363 -2.628 2.236 1.00 1.00 H new ATOM 0 HA VAL A 24 6.087 -2.774 4.929 1.00 1.00 H new ATOM 0 HB VAL A 24 6.142 -5.202 4.562 1.00 1.00 H new ATOM 0 HG11 VAL A 24 4.523 -5.303 2.621 1.00 1.00 H new ATOM 0 HG12 VAL A 24 4.183 -3.904 3.667 1.00 1.00 H new ATOM 0 HG13 VAL A 24 5.039 -3.674 2.124 1.00 1.00 H new ATOM 0 HG21 VAL A 24 6.842 -6.195 2.392 1.00 1.00 H new ATOM 0 HG22 VAL A 24 7.400 -4.596 1.844 1.00 1.00 H new ATOM 0 HG23 VAL A 24 8.203 -5.397 3.215 1.00 1.00 H new ATOM 375 N THR A 25 8.187 -3.156 6.179 1.00 1.00 N ATOM 376 CA THR A 25 9.448 -3.274 6.941 1.00 1.00 C ATOM 377 C THR A 25 9.640 -4.718 7.422 1.00 1.00 C ATOM 378 O THR A 25 8.779 -5.266 8.111 1.00 1.00 O ATOM 379 CB THR A 25 9.403 -2.308 8.149 1.00 1.00 C ATOM 380 OG1 THR A 25 9.128 -0.999 7.673 1.00 1.00 O ATOM 381 CG2 THR A 25 10.753 -2.289 8.900 1.00 1.00 C ATOM 0 H THR A 25 7.369 -2.936 6.748 1.00 1.00 H new ATOM 0 HA THR A 25 10.288 -3.011 6.299 1.00 1.00 H new ATOM 0 HB THR A 25 8.628 -2.647 8.837 1.00 1.00 H new ATOM 0 HG1 THR A 25 9.095 -0.376 8.429 1.00 1.00 H new ATOM 0 HG21 THR A 25 10.691 -1.601 9.743 1.00 1.00 H new ATOM 0 HG22 THR A 25 10.981 -3.291 9.265 1.00 1.00 H new ATOM 0 HG23 THR A 25 11.542 -1.961 8.223 1.00 1.00 H new ATOM 389 N ASN A 26 10.769 -5.319 7.060 1.00 1.00 N ATOM 390 CA ASN A 26 11.064 -6.703 7.463 1.00 1.00 C ATOM 391 C ASN A 26 11.438 -6.746 8.945 1.00 1.00 C ATOM 392 O ASN A 26 12.458 -6.191 9.352 1.00 1.00 O ATOM 393 CB ASN A 26 12.227 -7.262 6.616 1.00 1.00 C ATOM 394 CG ASN A 26 12.431 -8.761 6.876 1.00 1.00 C ATOM 395 OD1 ASN A 26 11.936 -9.299 7.869 1.00 1.00 O ATOM 396 ND2 ASN A 26 13.136 -9.468 6.035 1.00 1.00 N ATOM 0 H ASN A 26 11.494 -4.879 6.493 1.00 1.00 H new ATOM 0 HA ASN A 26 10.177 -7.315 7.300 1.00 1.00 H new ATOM 0 HB2 ASN A 26 12.022 -7.098 5.558 1.00 1.00 H new ATOM 0 HB3 ASN A 26 13.144 -6.721 6.850 1.00 1.00 H new ATOM 0 HD21 ASN A 26 13.277 -10.465 6.200 1.00 1.00 H new ATOM 0 HD22 ASN A 26 13.546 -9.024 5.213 1.00 1.00 H new ATOM 444 N ALA A 30 16.175 -12.960 11.415 1.00 1.00 N ATOM 445 CA ALA A 30 16.813 -13.680 10.296 1.00 1.00 C ATOM 446 C ALA A 30 16.187 -13.274 8.959 1.00 1.00 C ATOM 447 O ALA A 30 15.160 -12.597 8.913 1.00 1.00 O ATOM 448 CB ALA A 30 16.655 -15.197 10.510 1.00 1.00 C ATOM 0 HA ALA A 30 17.871 -13.420 10.269 1.00 1.00 H new ATOM 0 HB1 ALA A 30 17.125 -15.732 9.685 1.00 1.00 H new ATOM 0 HB2 ALA A 30 17.132 -15.484 11.447 1.00 1.00 H new ATOM 0 HB3 ALA A 30 15.596 -15.450 10.550 1.00 1.00 H new ATOM 454 N GLU A 31 16.821 -13.699 7.871 1.00 1.00 N ATOM 455 CA GLU A 31 16.332 -13.380 6.521 1.00 1.00 C ATOM 456 C GLU A 31 14.987 -14.091 6.268 1.00 1.00 C ATOM 457 O GLU A 31 14.883 -15.309 6.413 1.00 1.00 O ATOM 458 CB GLU A 31 17.378 -13.811 5.459 1.00 1.00 C ATOM 459 CG GLU A 31 18.701 -13.006 5.616 1.00 1.00 C ATOM 460 CD GLU A 31 19.434 -13.393 6.905 1.00 1.00 C ATOM 461 OE1 GLU A 31 19.558 -14.579 7.156 1.00 1.00 O ATOM 462 OE2 GLU A 31 19.853 -12.497 7.622 1.00 1.00 O ATOM 0 H GLU A 31 17.671 -14.263 7.890 1.00 1.00 H new ATOM 0 HA GLU A 31 16.181 -12.303 6.443 1.00 1.00 H new ATOM 0 HB2 GLU A 31 17.583 -14.877 5.558 1.00 1.00 H new ATOM 0 HB3 GLU A 31 16.971 -13.656 4.460 1.00 1.00 H new ATOM 0 HG2 GLU A 31 19.347 -13.191 4.758 1.00 1.00 H new ATOM 0 HG3 GLU A 31 18.482 -11.938 5.626 1.00 1.00 H new ATOM 469 N ALA A 32 13.977 -13.318 5.885 1.00 1.00 N ATOM 470 CA ALA A 32 12.620 -13.841 5.611 1.00 1.00 C ATOM 471 C ALA A 32 12.281 -13.691 4.136 1.00 1.00 C ATOM 472 O ALA A 32 12.882 -12.880 3.431 1.00 1.00 O ATOM 473 CB ALA A 32 11.594 -13.056 6.450 1.00 1.00 C ATOM 0 H ALA A 32 14.063 -12.310 5.752 1.00 1.00 H new ATOM 0 HA ALA A 32 12.589 -14.898 5.875 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.593 -13.438 6.251 1.00 1.00 H new ATOM 0 HB2 ALA A 32 11.824 -13.174 7.509 1.00 1.00 H new ATOM 0 HB3 ALA A 32 11.639 -12.000 6.184 1.00 1.00 H new ATOM 479 N HIS A 33 11.299 -14.460 3.676 1.00 1.00 N ATOM 480 CA HIS A 33 10.850 -14.388 2.283 1.00 1.00 C ATOM 481 C HIS A 33 9.444 -15.011 2.167 1.00 1.00 C ATOM 482 O HIS A 33 9.266 -16.213 1.975 1.00 1.00 O ATOM 483 CB HIS A 33 11.865 -15.150 1.393 1.00 1.00 C ATOM 484 CG HIS A 33 12.204 -16.478 2.024 1.00 1.00 C ATOM 485 ND1 HIS A 33 11.415 -17.064 3.004 1.00 1.00 N ATOM 486 CD2 HIS A 33 13.262 -17.318 1.843 1.00 1.00 C ATOM 487 CE1 HIS A 33 12.011 -18.212 3.371 1.00 1.00 C ATOM 488 NE2 HIS A 33 13.143 -18.417 2.693 1.00 1.00 N ATOM 0 H HIS A 33 10.797 -15.141 4.245 1.00 1.00 H new ATOM 0 HA HIS A 33 10.796 -13.351 1.952 1.00 1.00 H new ATOM 0 HB2 HIS A 33 11.445 -15.306 0.399 1.00 1.00 H new ATOM 0 HB3 HIS A 33 12.770 -14.556 1.267 1.00 1.00 H new ATOM 0 HD2 HIS A 33 14.071 -17.157 1.146 1.00 1.00 H new ATOM 0 HE1 HIS A 33 11.622 -18.885 4.121 1.00 1.00 H new ATOM 0 HE2 HIS A 33 13.783 -19.207 2.778 1.00 1.00 H new ATOM 497 N ASN A 34 8.445 -14.135 2.254 1.00 1.00 N ATOM 498 CA ASN A 34 7.009 -14.550 2.148 1.00 1.00 C ATOM 499 C ASN A 34 6.097 -13.506 2.822 1.00 1.00 C ATOM 500 O ASN A 34 5.336 -13.847 3.726 1.00 1.00 O ATOM 501 CB ASN A 34 6.712 -15.960 2.797 1.00 1.00 C ATOM 502 CG ASN A 34 7.386 -16.037 4.163 1.00 1.00 C ATOM 503 OD1 ASN A 34 8.413 -16.695 4.314 1.00 1.00 O ATOM 504 ND2 ASN A 34 6.869 -15.384 5.170 1.00 1.00 N ATOM 0 H ASN A 34 8.581 -13.134 2.397 1.00 1.00 H new ATOM 0 HA ASN A 34 6.801 -14.622 1.080 1.00 1.00 H new ATOM 0 HB2 ASN A 34 5.637 -16.107 2.900 1.00 1.00 H new ATOM 0 HB3 ASN A 34 7.082 -16.756 2.151 1.00 1.00 H new ATOM 0 HD21 ASN A 34 7.318 -15.419 6.085 1.00 1.00 H new ATOM 0 HD22 ASN A 34 6.017 -14.839 5.041 1.00 1.00 H new ATOM 511 N VAL A 35 6.164 -12.259 2.361 1.00 1.00 N ATOM 512 CA VAL A 35 5.337 -11.170 2.903 1.00 1.00 C ATOM 513 C VAL A 35 4.362 -10.689 1.802 1.00 1.00 C ATOM 514 O VAL A 35 4.670 -9.711 1.120 1.00 1.00 O ATOM 515 CB VAL A 35 6.270 -10.020 3.369 1.00 1.00 C ATOM 516 CG1 VAL A 35 5.444 -8.864 3.994 1.00 1.00 C ATOM 517 CG2 VAL A 35 7.263 -10.574 4.434 1.00 1.00 C ATOM 0 H VAL A 35 6.787 -11.971 1.607 1.00 1.00 H new ATOM 0 HA VAL A 35 4.753 -11.511 3.758 1.00 1.00 H new ATOM 0 HB VAL A 35 6.814 -9.634 2.507 1.00 1.00 H new ATOM 0 HG11 VAL A 35 6.116 -8.068 4.314 1.00 1.00 H new ATOM 0 HG12 VAL A 35 4.746 -8.473 3.253 1.00 1.00 H new ATOM 0 HG13 VAL A 35 4.888 -9.238 4.854 1.00 1.00 H new ATOM 0 HG21 VAL A 35 7.923 -9.773 4.768 1.00 1.00 H new ATOM 0 HG22 VAL A 35 6.704 -10.962 5.286 1.00 1.00 H new ATOM 0 HG23 VAL A 35 7.858 -11.375 3.995 1.00 1.00 H new ATOM 527 N PRO A 36 3.222 -11.307 1.653 1.00 1.00 N ATOM 528 CA PRO A 36 2.226 -10.858 0.618 1.00 1.00 C ATOM 529 C PRO A 36 1.373 -9.702 1.135 1.00 1.00 C ATOM 530 O PRO A 36 0.421 -9.900 1.890 1.00 1.00 O ATOM 531 CB PRO A 36 1.397 -12.138 0.363 1.00 1.00 C ATOM 532 CG PRO A 36 1.322 -12.784 1.719 1.00 1.00 C ATOM 533 CD PRO A 36 2.705 -12.513 2.375 1.00 1.00 C ATOM 0 HA PRO A 36 2.683 -10.468 -0.292 1.00 1.00 H new ATOM 0 HB2 PRO A 36 0.406 -11.903 -0.025 1.00 1.00 H new ATOM 0 HB3 PRO A 36 1.879 -12.790 -0.366 1.00 1.00 H new ATOM 0 HG2 PRO A 36 0.514 -12.359 2.314 1.00 1.00 H new ATOM 0 HG3 PRO A 36 1.128 -13.853 1.636 1.00 1.00 H new ATOM 0 HD2 PRO A 36 2.609 -12.326 3.445 1.00 1.00 H new ATOM 0 HD3 PRO A 36 3.375 -13.365 2.259 1.00 1.00 H new ATOM 541 N VAL A 37 1.722 -8.491 0.714 1.00 1.00 N ATOM 542 CA VAL A 37 0.993 -7.299 1.134 1.00 1.00 C ATOM 543 C VAL A 37 -0.387 -7.288 0.494 1.00 1.00 C ATOM 544 O VAL A 37 -0.543 -7.683 -0.662 1.00 1.00 O ATOM 545 CB VAL A 37 1.795 -6.028 0.743 1.00 1.00 C ATOM 546 CG1 VAL A 37 1.927 -5.883 -0.798 1.00 1.00 C ATOM 547 CG2 VAL A 37 1.124 -4.762 1.335 1.00 1.00 C ATOM 0 H VAL A 37 2.503 -8.309 0.084 1.00 1.00 H new ATOM 0 HA VAL A 37 0.870 -7.309 2.217 1.00 1.00 H new ATOM 0 HB VAL A 37 2.797 -6.134 1.158 1.00 1.00 H new ATOM 0 HG11 VAL A 37 2.494 -4.982 -1.031 1.00 1.00 H new ATOM 0 HG12 VAL A 37 2.445 -6.753 -1.202 1.00 1.00 H new ATOM 0 HG13 VAL A 37 0.935 -5.812 -1.243 1.00 1.00 H new ATOM 0 HG21 VAL A 37 1.698 -3.880 1.052 1.00 1.00 H new ATOM 0 HG22 VAL A 37 0.109 -4.674 0.948 1.00 1.00 H new ATOM 0 HG23 VAL A 37 1.093 -4.841 2.422 1.00 1.00 H new ATOM 557 N ALA A 38 -1.382 -6.820 1.239 1.00 1.00 N ATOM 558 CA ALA A 38 -2.773 -6.753 0.765 1.00 1.00 C ATOM 559 C ALA A 38 -3.324 -5.344 0.974 1.00 1.00 C ATOM 560 O ALA A 38 -3.400 -4.869 2.107 1.00 1.00 O ATOM 561 CB ALA A 38 -3.615 -7.756 1.576 1.00 1.00 C ATOM 0 H ALA A 38 -1.254 -6.474 2.190 1.00 1.00 H new ATOM 0 HA ALA A 38 -2.814 -6.996 -0.297 1.00 1.00 H new ATOM 0 HB1 ALA A 38 -4.650 -7.719 1.237 1.00 1.00 H new ATOM 0 HB2 ALA A 38 -3.221 -8.762 1.432 1.00 1.00 H new ATOM 0 HB3 ALA A 38 -3.570 -7.497 2.634 1.00 1.00 H new ATOM 567 N VAL A 39 -3.731 -4.696 -0.113 1.00 1.00 N ATOM 568 CA VAL A 39 -4.286 -3.334 -0.066 1.00 1.00 C ATOM 569 C VAL A 39 -5.769 -3.373 -0.427 1.00 1.00 C ATOM 570 O VAL A 39 -6.198 -4.140 -1.290 1.00 1.00 O ATOM 571 CB VAL A 39 -3.517 -2.421 -1.058 1.00 1.00 C ATOM 572 CG1 VAL A 39 -3.988 -0.950 -0.914 1.00 1.00 C ATOM 573 CG2 VAL A 39 -1.999 -2.509 -0.768 1.00 1.00 C ATOM 0 H VAL A 39 -3.689 -5.093 -1.052 1.00 1.00 H new ATOM 0 HA VAL A 39 -4.177 -2.931 0.941 1.00 1.00 H new ATOM 0 HB VAL A 39 -3.718 -2.757 -2.075 1.00 1.00 H new ATOM 0 HG11 VAL A 39 -3.440 -0.322 -1.616 1.00 1.00 H new ATOM 0 HG12 VAL A 39 -5.055 -0.887 -1.128 1.00 1.00 H new ATOM 0 HG13 VAL A 39 -3.801 -0.606 0.103 1.00 1.00 H new ATOM 0 HG21 VAL A 39 -1.458 -1.868 -1.464 1.00 1.00 H new ATOM 0 HG22 VAL A 39 -1.804 -2.181 0.253 1.00 1.00 H new ATOM 0 HG23 VAL A 39 -1.665 -3.539 -0.889 1.00 1.00 H new ATOM 583 N TYR A 40 -6.547 -2.529 0.243 1.00 1.00 N ATOM 584 CA TYR A 40 -7.994 -2.453 -0.003 1.00 1.00 C ATOM 585 C TYR A 40 -8.512 -1.041 0.321 1.00 1.00 C ATOM 586 O TYR A 40 -8.316 -0.530 1.423 1.00 1.00 O ATOM 587 CB TYR A 40 -8.710 -3.520 0.856 1.00 1.00 C ATOM 588 CG TYR A 40 -8.289 -3.362 2.321 1.00 1.00 C ATOM 589 CD1 TYR A 40 -7.114 -3.988 2.789 1.00 1.00 C ATOM 590 CD2 TYR A 40 -9.058 -2.585 3.212 1.00 1.00 C ATOM 591 CE1 TYR A 40 -6.718 -3.835 4.126 1.00 1.00 C ATOM 592 CE2 TYR A 40 -8.656 -2.440 4.545 1.00 1.00 C ATOM 593 CZ TYR A 40 -7.490 -3.061 5.000 1.00 1.00 C ATOM 594 OH TYR A 40 -7.099 -2.908 6.315 1.00 1.00 O ATOM 0 H TYR A 40 -6.207 -1.887 0.959 1.00 1.00 H new ATOM 0 HA TYR A 40 -8.202 -2.651 -1.055 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -9.791 -3.412 0.763 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.458 -4.519 0.500 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -6.518 -4.587 2.116 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -9.959 -2.101 2.865 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -5.818 -4.314 4.481 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -9.249 -1.846 5.224 1.00 1.00 H new ATOM 0 HH TYR A 40 -7.593 -2.164 6.719 1.00 1.00 H new ATOM 604 N LEU A 41 -9.189 -0.432 -0.648 1.00 1.00 N ATOM 605 CA LEU A 41 -9.732 0.928 -0.462 1.00 1.00 C ATOM 606 C LEU A 41 -10.993 0.865 0.408 1.00 1.00 C ATOM 607 O LEU A 41 -11.910 0.094 0.121 1.00 1.00 O ATOM 608 CB LEU A 41 -10.073 1.571 -1.844 1.00 1.00 C ATOM 609 CG LEU A 41 -10.331 3.135 -1.719 1.00 1.00 C ATOM 610 CD1 LEU A 41 -9.014 3.927 -1.947 1.00 1.00 C ATOM 611 CD2 LEU A 41 -11.387 3.603 -2.751 1.00 1.00 C ATOM 0 H LEU A 41 -9.378 -0.844 -1.562 1.00 1.00 H new ATOM 0 HA LEU A 41 -8.981 1.543 0.033 1.00 1.00 H new ATOM 0 HB2 LEU A 41 -9.254 1.392 -2.540 1.00 1.00 H new ATOM 0 HB3 LEU A 41 -10.957 1.089 -2.261 1.00 1.00 H new ATOM 0 HG LEU A 41 -10.702 3.329 -0.712 1.00 1.00 H new ATOM 0 HD11 LEU A 41 -9.212 4.995 -1.857 1.00 1.00 H new ATOM 0 HD12 LEU A 41 -8.277 3.630 -1.201 1.00 1.00 H new ATOM 0 HD13 LEU A 41 -8.628 3.712 -2.943 1.00 1.00 H new ATOM 0 HD21 LEU A 41 -11.547 4.676 -2.647 1.00 1.00 H new ATOM 0 HD22 LEU A 41 -11.033 3.385 -3.759 1.00 1.00 H new ATOM 0 HD23 LEU A 41 -12.326 3.077 -2.575 1.00 1.00 H new ATOM 623 N GLY A 42 -11.033 1.680 1.458 1.00 1.00 N ATOM 624 CA GLY A 42 -12.185 1.732 2.380 1.00 1.00 C ATOM 625 C GLY A 42 -11.756 1.418 3.808 1.00 1.00 C ATOM 626 O GLY A 42 -10.580 1.515 4.162 1.00 1.00 O ATOM 0 H GLY A 42 -10.279 2.322 1.701 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -12.641 2.721 2.343 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -12.944 1.019 2.059 1.00 1.00 H new ATOM 630 N ASN A 43 -12.731 1.041 4.628 1.00 1.00 N ATOM 631 CA ASN A 43 -12.478 0.721 6.057 1.00 1.00 C ATOM 632 C ASN A 43 -12.819 -0.770 6.378 1.00 1.00 C ATOM 633 O ASN A 43 -13.818 -1.263 5.854 1.00 1.00 O ATOM 634 CB ASN A 43 -13.355 1.658 6.905 1.00 1.00 C ATOM 635 CG ASN A 43 -12.981 3.121 6.630 1.00 1.00 C ATOM 636 OD1 ASN A 43 -12.509 3.821 7.526 1.00 1.00 O ATOM 637 ND2 ASN A 43 -13.155 3.622 5.435 1.00 1.00 N ATOM 0 H ASN A 43 -13.706 0.945 4.344 1.00 1.00 H new ATOM 0 HA ASN A 43 -11.421 0.864 6.283 1.00 1.00 H new ATOM 0 HB2 ASN A 43 -14.407 1.493 6.673 1.00 1.00 H new ATOM 0 HB3 ASN A 43 -13.223 1.433 7.963 1.00 1.00 H new ATOM 0 HD21 ASN A 43 -12.900 4.591 5.246 1.00 1.00 H new ATOM 0 HD22 ASN A 43 -13.546 3.043 4.691 1.00 1.00 H new ATOM 644 N PRO A 44 -12.069 -1.440 7.210 1.00 1.00 N ATOM 645 CA PRO A 44 -12.411 -2.883 7.552 1.00 1.00 C ATOM 646 C PRO A 44 -13.889 -3.082 7.957 1.00 1.00 C ATOM 647 O PRO A 44 -14.524 -4.067 7.577 1.00 1.00 O ATOM 648 CB PRO A 44 -11.465 -3.216 8.742 1.00 1.00 C ATOM 649 CG PRO A 44 -10.265 -2.340 8.520 1.00 1.00 C ATOM 650 CD PRO A 44 -10.824 -1.018 7.931 1.00 1.00 C ATOM 0 HA PRO A 44 -12.278 -3.535 6.689 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -11.941 -3.004 9.699 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -11.191 -4.271 8.749 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -9.732 -2.160 9.454 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -9.558 -2.808 7.835 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -11.043 -0.293 8.715 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -10.110 -0.549 7.254 1.00 1.00 H new ATOM 658 N ALA A 45 -14.411 -2.142 8.740 1.00 1.00 N ATOM 659 CA ALA A 45 -15.804 -2.217 9.203 1.00 1.00 C ATOM 660 C ALA A 45 -16.783 -2.109 8.022 1.00 1.00 C ATOM 661 O ALA A 45 -17.765 -2.845 7.941 1.00 1.00 O ATOM 662 CB ALA A 45 -16.063 -1.081 10.210 1.00 1.00 C ATOM 0 H ALA A 45 -13.899 -1.323 9.068 1.00 1.00 H new ATOM 0 HA ALA A 45 -15.964 -3.181 9.685 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -17.095 -1.131 10.557 1.00 1.00 H new ATOM 0 HB2 ALA A 45 -15.389 -1.187 11.060 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -15.889 -0.120 9.727 1.00 1.00 H new ATOM 668 N GLN A 46 -16.496 -1.180 7.116 1.00 1.00 N ATOM 669 CA GLN A 46 -17.366 -0.973 5.938 1.00 1.00 C ATOM 670 C GLN A 46 -17.350 -2.222 5.043 1.00 1.00 C ATOM 671 O GLN A 46 -18.388 -2.830 4.783 1.00 1.00 O ATOM 672 CB GLN A 46 -16.879 0.282 5.155 1.00 1.00 C ATOM 673 CG GLN A 46 -17.944 0.806 4.150 1.00 1.00 C ATOM 674 CD GLN A 46 -18.200 -0.198 3.024 1.00 1.00 C ATOM 675 OE1 GLN A 46 -19.214 -0.893 3.034 1.00 1.00 O ATOM 676 NE2 GLN A 46 -17.338 -0.313 2.049 1.00 1.00 N ATOM 0 H GLN A 46 -15.685 -0.563 7.162 1.00 1.00 H new ATOM 0 HA GLN A 46 -18.393 -0.807 6.263 1.00 1.00 H new ATOM 0 HB2 GLN A 46 -16.630 1.074 5.862 1.00 1.00 H new ATOM 0 HB3 GLN A 46 -15.964 0.037 4.615 1.00 1.00 H new ATOM 0 HG2 GLN A 46 -18.876 1.006 4.678 1.00 1.00 H new ATOM 0 HG3 GLN A 46 -17.609 1.752 3.725 1.00 1.00 H new ATOM 0 HE21 GLN A 46 -16.497 0.264 2.041 1.00 1.00 H new ATOM 0 HE22 GLN A 46 -17.506 -0.980 1.296 1.00 1.00 H new ATOM 685 N GLY A 47 -16.161 -2.585 4.571 1.00 1.00 N ATOM 686 CA GLY A 47 -16.006 -3.767 3.700 1.00 1.00 C ATOM 687 C GLY A 47 -14.800 -3.615 2.782 1.00 1.00 C ATOM 688 O GLY A 47 -14.939 -3.207 1.629 1.00 1.00 O ATOM 0 H GLY A 47 -15.292 -2.089 4.769 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -15.891 -4.662 4.312 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -16.907 -3.903 3.102 1.00 1.00 H new ATOM 692 N GLY A 48 -13.620 -3.940 3.298 1.00 1.00 N ATOM 693 CA GLY A 48 -12.387 -3.840 2.508 1.00 1.00 C ATOM 694 C GLY A 48 -12.420 -4.803 1.313 1.00 1.00 C ATOM 695 O GLY A 48 -12.714 -5.986 1.475 1.00 1.00 O ATOM 0 H GLY A 48 -13.486 -4.273 4.253 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -12.261 -2.817 2.152 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -11.527 -4.067 3.139 1.00 1.00 H new ATOM 699 N VAL A 49 -12.106 -4.290 0.128 1.00 1.00 N ATOM 700 CA VAL A 49 -12.100 -5.103 -1.116 1.00 1.00 C ATOM 701 C VAL A 49 -10.656 -5.262 -1.628 1.00 1.00 C ATOM 702 O VAL A 49 -9.941 -4.282 -1.835 1.00 1.00 O ATOM 703 CB VAL A 49 -12.976 -4.402 -2.195 1.00 1.00 C ATOM 704 CG1 VAL A 49 -13.097 -5.283 -3.467 1.00 1.00 C ATOM 705 CG2 VAL A 49 -14.388 -4.137 -1.618 1.00 1.00 C ATOM 0 H VAL A 49 -11.849 -3.313 -0.013 1.00 1.00 H new ATOM 0 HA VAL A 49 -12.510 -6.091 -0.908 1.00 1.00 H new ATOM 0 HB VAL A 49 -12.501 -3.460 -2.469 1.00 1.00 H new ATOM 0 HG11 VAL A 49 -13.714 -4.772 -4.206 1.00 1.00 H new ATOM 0 HG12 VAL A 49 -12.105 -5.461 -3.882 1.00 1.00 H new ATOM 0 HG13 VAL A 49 -13.557 -6.236 -3.207 1.00 1.00 H new ATOM 0 HG21 VAL A 49 -15.003 -3.646 -2.372 1.00 1.00 H new ATOM 0 HG22 VAL A 49 -14.848 -5.083 -1.334 1.00 1.00 H new ATOM 0 HG23 VAL A 49 -14.308 -3.495 -0.741 1.00 1.00 H new ATOM 715 N GLU A 50 -10.249 -6.511 -1.835 1.00 1.00 N ATOM 716 CA GLU A 50 -8.884 -6.789 -2.321 1.00 1.00 C ATOM 717 C GLU A 50 -8.734 -6.299 -3.774 1.00 1.00 C ATOM 718 O GLU A 50 -9.474 -6.726 -4.663 1.00 1.00 O ATOM 719 CB GLU A 50 -8.593 -8.309 -2.214 1.00 1.00 C ATOM 720 CG GLU A 50 -7.111 -8.638 -2.555 1.00 1.00 C ATOM 721 CD GLU A 50 -6.146 -8.041 -1.520 1.00 1.00 C ATOM 722 OE1 GLU A 50 -6.568 -7.816 -0.396 1.00 1.00 O ATOM 723 OE2 GLU A 50 -4.998 -7.817 -1.874 1.00 1.00 O ATOM 0 H GLU A 50 -10.825 -7.338 -1.680 1.00 1.00 H new ATOM 0 HA GLU A 50 -8.161 -6.254 -1.706 1.00 1.00 H new ATOM 0 HB2 GLU A 50 -8.819 -8.652 -1.204 1.00 1.00 H new ATOM 0 HB3 GLU A 50 -9.251 -8.854 -2.891 1.00 1.00 H new ATOM 0 HG2 GLU A 50 -6.978 -9.719 -2.596 1.00 1.00 H new ATOM 0 HG3 GLU A 50 -6.870 -8.249 -3.544 1.00 1.00 H new ATOM 730 N ILE A 51 -7.772 -5.410 -3.999 1.00 1.00 N ATOM 731 CA ILE A 51 -7.523 -4.851 -5.353 1.00 1.00 C ATOM 732 C ILE A 51 -6.457 -5.675 -6.068 1.00 1.00 C ATOM 733 O ILE A 51 -6.593 -6.011 -7.244 1.00 1.00 O ATOM 734 CB ILE A 51 -7.063 -3.362 -5.244 1.00 1.00 C ATOM 735 CG1 ILE A 51 -8.130 -2.551 -4.445 1.00 1.00 C ATOM 736 CG2 ILE A 51 -6.889 -2.748 -6.670 1.00 1.00 C ATOM 737 CD1 ILE A 51 -7.629 -1.128 -4.144 1.00 1.00 C ATOM 0 H ILE A 51 -7.147 -5.053 -3.276 1.00 1.00 H new ATOM 0 HA ILE A 51 -8.449 -4.892 -5.927 1.00 1.00 H new ATOM 0 HB ILE A 51 -6.106 -3.317 -4.725 1.00 1.00 H new ATOM 0 HG12 ILE A 51 -9.057 -2.501 -5.016 1.00 1.00 H new ATOM 0 HG13 ILE A 51 -8.359 -3.065 -3.511 1.00 1.00 H new ATOM 0 HG21 ILE A 51 -6.568 -1.710 -6.583 1.00 1.00 H new ATOM 0 HG22 ILE A 51 -6.138 -3.315 -7.221 1.00 1.00 H new ATOM 0 HG23 ILE A 51 -7.839 -2.790 -7.203 1.00 1.00 H new ATOM 0 HD11 ILE A 51 -8.392 -0.584 -3.586 1.00 1.00 H new ATOM 0 HD12 ILE A 51 -6.715 -1.182 -3.552 1.00 1.00 H new ATOM 0 HD13 ILE A 51 -7.425 -0.609 -5.080 1.00 1.00 H new ATOM 749 N GLY A 52 -5.388 -5.991 -5.344 1.00 1.00 N ATOM 750 CA GLY A 52 -4.287 -6.767 -5.911 1.00 1.00 C ATOM 751 C GLY A 52 -3.182 -6.956 -4.885 1.00 1.00 C ATOM 752 O GLY A 52 -3.175 -6.318 -3.832 1.00 1.00 O ATOM 0 H GLY A 52 -5.259 -5.724 -4.368 1.00 1.00 H new ATOM 0 HA2 GLY A 52 -4.653 -7.739 -6.243 1.00 1.00 H new ATOM 0 HA3 GLY A 52 -3.891 -6.258 -6.790 1.00 1.00 H new ATOM 756 N ARG A 53 -2.240 -7.840 -5.203 1.00 1.00 N ATOM 757 CA ARG A 53 -1.115 -8.125 -4.306 1.00 1.00 C ATOM 758 C ARG A 53 0.052 -8.721 -5.091 1.00 1.00 C ATOM 759 O ARG A 53 -0.073 -9.076 -6.264 1.00 1.00 O ATOM 760 CB ARG A 53 -1.574 -9.085 -3.183 1.00 1.00 C ATOM 761 CG ARG A 53 -2.155 -10.387 -3.781 1.00 1.00 C ATOM 762 CD ARG A 53 -2.616 -11.334 -2.657 1.00 1.00 C ATOM 763 NE ARG A 53 -3.152 -12.565 -3.242 1.00 1.00 N ATOM 764 CZ ARG A 53 -3.598 -13.581 -2.493 1.00 1.00 C ATOM 765 NH1 ARG A 53 -3.561 -13.518 -1.187 1.00 1.00 N ATOM 766 NH2 ARG A 53 -4.071 -14.647 -3.076 1.00 1.00 N ATOM 0 H ARG A 53 -2.230 -8.373 -6.073 1.00 1.00 H new ATOM 0 HA ARG A 53 -0.774 -7.195 -3.851 1.00 1.00 H new ATOM 0 HB2 ARG A 53 -0.732 -9.322 -2.533 1.00 1.00 H new ATOM 0 HB3 ARG A 53 -2.326 -8.596 -2.564 1.00 1.00 H new ATOM 0 HG2 ARG A 53 -2.995 -10.152 -4.434 1.00 1.00 H new ATOM 0 HG3 ARG A 53 -1.402 -10.881 -4.395 1.00 1.00 H new ATOM 0 HD2 ARG A 53 -1.780 -11.567 -1.998 1.00 1.00 H new ATOM 0 HD3 ARG A 53 -3.377 -10.848 -2.047 1.00 1.00 H new ATOM 0 HE ARG A 53 -3.187 -12.651 -4.258 1.00 1.00 H new ATOM 0 HH11 ARG A 53 -3.189 -12.687 -0.727 1.00 1.00 H new ATOM 0 HH12 ARG A 53 -3.904 -14.300 -0.629 1.00 1.00 H new ATOM 0 HH21 ARG A 53 -4.099 -14.702 -4.094 1.00 1.00 H new ATOM 0 HH22 ARG A 53 -4.413 -15.426 -2.514 1.00 1.00 H new ATOM 780 N ASP A 54 1.196 -8.826 -4.421 1.00 1.00 N ATOM 781 CA ASP A 54 2.401 -9.383 -5.049 1.00 1.00 C ATOM 782 C ASP A 54 3.424 -9.766 -3.973 1.00 1.00 C ATOM 783 O ASP A 54 3.959 -8.902 -3.279 1.00 1.00 O ATOM 784 CB ASP A 54 3.011 -8.338 -6.011 1.00 1.00 C ATOM 785 CG ASP A 54 4.198 -8.928 -6.783 1.00 1.00 C ATOM 786 OD1 ASP A 54 4.066 -10.037 -7.274 1.00 1.00 O ATOM 787 OD2 ASP A 54 5.218 -8.263 -6.872 1.00 1.00 O ATOM 0 H ASP A 54 1.319 -8.537 -3.451 1.00 1.00 H new ATOM 0 HA ASP A 54 2.133 -10.277 -5.612 1.00 1.00 H new ATOM 0 HB2 ASP A 54 2.250 -7.997 -6.713 1.00 1.00 H new ATOM 0 HB3 ASP A 54 3.338 -7.465 -5.446 1.00 1.00 H new ATOM 792 N THR A 55 3.701 -11.061 -3.857 1.00 1.00 N ATOM 793 CA THR A 55 4.667 -11.552 -2.871 1.00 1.00 C ATOM 794 C THR A 55 6.083 -11.243 -3.350 1.00 1.00 C ATOM 795 O THR A 55 6.392 -11.376 -4.535 1.00 1.00 O ATOM 796 CB THR A 55 4.491 -13.079 -2.672 1.00 1.00 C ATOM 797 OG1 THR A 55 3.123 -13.357 -2.415 1.00 1.00 O ATOM 798 CG2 THR A 55 5.342 -13.581 -1.483 1.00 1.00 C ATOM 0 H THR A 55 3.274 -11.789 -4.429 1.00 1.00 H new ATOM 0 HA THR A 55 4.495 -11.054 -1.917 1.00 1.00 H new ATOM 0 HB THR A 55 4.821 -13.590 -3.576 1.00 1.00 H new ATOM 0 HG1 THR A 55 3.003 -14.322 -2.290 1.00 1.00 H new ATOM 0 HG21 THR A 55 5.202 -14.655 -1.363 1.00 1.00 H new ATOM 0 HG22 THR A 55 6.394 -13.372 -1.675 1.00 1.00 H new ATOM 0 HG23 THR A 55 5.031 -13.071 -0.572 1.00 1.00 H new ATOM 806 N ILE A 56 6.947 -10.848 -2.419 1.00 1.00 N ATOM 807 CA ILE A 56 8.335 -10.514 -2.751 1.00 1.00 C ATOM 808 C ILE A 56 9.158 -11.806 -2.922 1.00 1.00 C ATOM 809 O ILE A 56 8.951 -12.773 -2.188 1.00 1.00 O ATOM 810 CB ILE A 56 8.944 -9.607 -1.636 1.00 1.00 C ATOM 811 CG1 ILE A 56 7.955 -8.455 -1.259 1.00 1.00 C ATOM 812 CG2 ILE A 56 10.317 -9.013 -2.102 1.00 1.00 C ATOM 813 CD1 ILE A 56 7.576 -7.570 -2.462 1.00 1.00 C ATOM 0 H ILE A 56 6.715 -10.751 -1.431 1.00 1.00 H new ATOM 0 HA ILE A 56 8.361 -9.964 -3.692 1.00 1.00 H new ATOM 0 HB ILE A 56 9.112 -10.221 -0.751 1.00 1.00 H new ATOM 0 HG12 ILE A 56 7.049 -8.886 -0.832 1.00 1.00 H new ATOM 0 HG13 ILE A 56 8.407 -7.834 -0.486 1.00 1.00 H new ATOM 0 HG21 ILE A 56 10.728 -8.383 -1.313 1.00 1.00 H new ATOM 0 HG22 ILE A 56 11.011 -9.826 -2.316 1.00 1.00 H new ATOM 0 HG23 ILE A 56 10.169 -8.416 -3.002 1.00 1.00 H new ATOM 0 HD11 ILE A 56 6.888 -6.789 -2.137 1.00 1.00 H new ATOM 0 HD12 ILE A 56 8.475 -7.113 -2.875 1.00 1.00 H new ATOM 0 HD13 ILE A 56 7.096 -8.181 -3.226 1.00 1.00 H new ATOM 825 N SER A 57 10.074 -11.812 -3.886 1.00 1.00 N ATOM 826 CA SER A 57 10.911 -12.997 -4.142 1.00 1.00 C ATOM 827 C SER A 57 11.853 -13.256 -2.962 1.00 1.00 C ATOM 828 O SER A 57 11.937 -14.370 -2.445 1.00 1.00 O ATOM 829 CB SER A 57 11.730 -12.786 -5.430 1.00 1.00 C ATOM 830 OG SER A 57 10.841 -12.580 -6.522 1.00 1.00 O ATOM 0 H SER A 57 10.260 -11.021 -4.502 1.00 1.00 H new ATOM 0 HA SER A 57 10.262 -13.864 -4.263 1.00 1.00 H new ATOM 0 HB2 SER A 57 12.392 -11.927 -5.318 1.00 1.00 H new ATOM 0 HB3 SER A 57 12.362 -13.653 -5.619 1.00 1.00 H new ATOM 0 HG SER A 57 11.358 -12.444 -7.343 1.00 1.00 H new ATOM 836 N ARG A 58 12.556 -12.210 -2.544 1.00 1.00 N ATOM 837 CA ARG A 58 13.501 -12.316 -1.407 1.00 1.00 C ATOM 838 C ARG A 58 13.546 -10.990 -0.628 1.00 1.00 C ATOM 839 O ARG A 58 13.709 -9.910 -1.196 1.00 1.00 O ATOM 840 CB ARG A 58 14.906 -12.707 -1.925 1.00 1.00 C ATOM 841 CG ARG A 58 15.888 -12.925 -0.745 1.00 1.00 C ATOM 842 CD ARG A 58 17.277 -13.334 -1.264 1.00 1.00 C ATOM 843 NE ARG A 58 18.198 -13.520 -0.131 1.00 1.00 N ATOM 844 CZ ARG A 58 18.683 -12.485 0.573 1.00 1.00 C ATOM 845 NH1 ARG A 58 18.377 -11.258 0.243 1.00 1.00 N ATOM 846 NH2 ARG A 58 19.473 -12.701 1.591 1.00 1.00 N ATOM 0 H ARG A 58 12.500 -11.281 -2.962 1.00 1.00 H new ATOM 0 HA ARG A 58 13.158 -13.095 -0.726 1.00 1.00 H new ATOM 0 HB2 ARG A 58 14.838 -13.617 -2.520 1.00 1.00 H new ATOM 0 HB3 ARG A 58 15.287 -11.925 -2.581 1.00 1.00 H new ATOM 0 HG2 ARG A 58 15.968 -12.010 -0.158 1.00 1.00 H new ATOM 0 HG3 ARG A 58 15.500 -13.697 -0.080 1.00 1.00 H new ATOM 0 HD2 ARG A 58 17.203 -14.257 -1.840 1.00 1.00 H new ATOM 0 HD3 ARG A 58 17.664 -12.569 -1.937 1.00 1.00 H new ATOM 0 HE ARG A 58 18.477 -14.466 0.128 1.00 1.00 H new ATOM 0 HH11 ARG A 58 17.766 -11.082 -0.554 1.00 1.00 H new ATOM 0 HH12 ARG A 58 18.749 -10.477 0.783 1.00 1.00 H new ATOM 0 HH21 ARG A 58 19.721 -13.656 1.851 1.00 1.00 H new ATOM 0 HH22 ARG A 58 19.842 -11.915 2.126 1.00 1.00 H new ATOM 860 N ILE A 59 13.402 -11.100 0.688 1.00 1.00 N ATOM 861 CA ILE A 59 13.414 -9.906 1.580 1.00 1.00 C ATOM 862 C ILE A 59 14.603 -9.970 2.580 1.00 1.00 C ATOM 863 O ILE A 59 14.544 -10.790 3.496 1.00 1.00 O ATOM 864 CB ILE A 59 12.074 -9.825 2.372 1.00 1.00 C ATOM 865 CG1 ILE A 59 10.892 -10.022 1.375 1.00 1.00 C ATOM 866 CG2 ILE A 59 11.960 -8.438 3.072 1.00 1.00 C ATOM 867 CD1 ILE A 59 9.514 -9.866 2.037 1.00 1.00 C ATOM 0 H ILE A 59 13.276 -11.988 1.174 1.00 1.00 H new ATOM 0 HA ILE A 59 13.530 -9.018 0.959 1.00 1.00 H new ATOM 0 HB ILE A 59 12.043 -10.603 3.135 1.00 1.00 H new ATOM 0 HG12 ILE A 59 10.983 -9.299 0.565 1.00 1.00 H new ATOM 0 HG13 ILE A 59 10.963 -11.013 0.927 1.00 1.00 H new ATOM 0 HG21 ILE A 59 11.022 -8.385 3.625 1.00 1.00 H new ATOM 0 HG22 ILE A 59 12.795 -8.308 3.761 1.00 1.00 H new ATOM 0 HG23 ILE A 59 11.983 -7.648 2.321 1.00 1.00 H new ATOM 0 HD11 ILE A 59 8.733 -10.015 1.291 1.00 1.00 H new ATOM 0 HD12 ILE A 59 9.405 -10.607 2.829 1.00 1.00 H new ATOM 0 HD13 ILE A 59 9.425 -8.866 2.461 1.00 1.00 H new ATOM 879 N PRO A 60 15.619 -9.164 2.436 1.00 1.00 N ATOM 880 CA PRO A 60 16.781 -9.223 3.397 1.00 1.00 C ATOM 881 C PRO A 60 16.419 -8.610 4.768 1.00 1.00 C ATOM 882 O PRO A 60 15.473 -7.831 4.894 1.00 1.00 O ATOM 883 CB PRO A 60 17.897 -8.444 2.655 1.00 1.00 C ATOM 884 CG PRO A 60 17.148 -7.401 1.872 1.00 1.00 C ATOM 885 CD PRO A 60 15.841 -8.094 1.409 1.00 1.00 C ATOM 0 HA PRO A 60 17.089 -10.239 3.644 1.00 1.00 H new ATOM 0 HB2 PRO A 60 18.601 -7.991 3.353 1.00 1.00 H new ATOM 0 HB3 PRO A 60 18.474 -9.098 2.001 1.00 1.00 H new ATOM 0 HG2 PRO A 60 16.933 -6.527 2.487 1.00 1.00 H new ATOM 0 HG3 PRO A 60 17.732 -7.055 1.020 1.00 1.00 H new ATOM 0 HD2 PRO A 60 15.007 -7.393 1.375 1.00 1.00 H new ATOM 0 HD3 PRO A 60 15.944 -8.515 0.409 1.00 1.00 H new ATOM 893 N VAL A 61 17.195 -8.977 5.783 1.00 1.00 N ATOM 894 CA VAL A 61 16.975 -8.485 7.158 1.00 1.00 C ATOM 895 C VAL A 61 17.338 -7.003 7.261 1.00 1.00 C ATOM 896 O VAL A 61 18.267 -6.549 6.592 1.00 1.00 O ATOM 897 CB VAL A 61 17.807 -9.340 8.152 1.00 1.00 C ATOM 898 CG1 VAL A 61 19.317 -9.240 7.835 1.00 1.00 C ATOM 899 CG2 VAL A 61 17.544 -8.896 9.616 1.00 1.00 C ATOM 0 H VAL A 61 17.986 -9.614 5.689 1.00 1.00 H new ATOM 0 HA VAL A 61 15.920 -8.583 7.414 1.00 1.00 H new ATOM 0 HB VAL A 61 17.494 -10.378 8.039 1.00 1.00 H new ATOM 0 HG11 VAL A 61 19.879 -9.847 8.545 1.00 1.00 H new ATOM 0 HG12 VAL A 61 19.501 -9.601 6.823 1.00 1.00 H new ATOM 0 HG13 VAL A 61 19.637 -8.201 7.913 1.00 1.00 H new ATOM 0 HG21 VAL A 61 18.138 -9.509 10.294 1.00 1.00 H new ATOM 0 HG22 VAL A 61 17.823 -7.849 9.734 1.00 1.00 H new ATOM 0 HG23 VAL A 61 16.486 -9.018 9.849 1.00 1.00 H new ATOM 909 N GLY A 62 16.610 -6.260 8.087 1.00 1.00 N ATOM 910 CA GLY A 62 16.864 -4.833 8.269 1.00 1.00 C ATOM 911 C GLY A 62 16.493 -4.066 7.014 1.00 1.00 C ATOM 912 O GLY A 62 16.658 -2.847 6.949 1.00 1.00 O ATOM 0 H GLY A 62 15.836 -6.623 8.644 1.00 1.00 H new ATOM 0 HA2 GLY A 62 16.287 -4.459 9.115 1.00 1.00 H new ATOM 0 HA3 GLY A 62 17.916 -4.671 8.504 1.00 1.00 H new ATOM 916 N GLY A 63 15.984 -4.781 6.016 1.00 1.00 N ATOM 917 CA GLY A 63 15.571 -4.191 4.735 1.00 1.00 C ATOM 918 C GLY A 63 14.062 -4.040 4.682 1.00 1.00 C ATOM 919 O GLY A 63 13.378 -4.127 5.702 1.00 1.00 O ATOM 0 H GLY A 63 15.843 -5.790 6.067 1.00 1.00 H new ATOM 0 HA2 GLY A 63 16.045 -3.218 4.607 1.00 1.00 H new ATOM 0 HA3 GLY A 63 15.909 -4.821 3.912 1.00 1.00 H new ATOM 923 N THR A 64 13.544 -3.806 3.480 1.00 1.00 N ATOM 924 CA THR A 64 12.098 -3.620 3.263 1.00 1.00 C ATOM 925 C THR A 64 11.651 -4.321 1.981 1.00 1.00 C ATOM 926 O THR A 64 12.423 -5.029 1.335 1.00 1.00 O ATOM 927 CB THR A 64 11.778 -2.112 3.150 1.00 1.00 C ATOM 928 OG1 THR A 64 12.281 -1.623 1.912 1.00 1.00 O ATOM 929 CG2 THR A 64 12.437 -1.332 4.304 1.00 1.00 C ATOM 0 H THR A 64 14.103 -3.739 2.629 1.00 1.00 H new ATOM 0 HA THR A 64 11.565 -4.052 4.110 1.00 1.00 H new ATOM 0 HB THR A 64 10.698 -1.975 3.202 1.00 1.00 H new ATOM 0 HG1 THR A 64 12.080 -0.667 1.832 1.00 1.00 H new ATOM 0 HG21 THR A 64 12.201 -0.272 4.208 1.00 1.00 H new ATOM 0 HG22 THR A 64 12.059 -1.703 5.257 1.00 1.00 H new ATOM 0 HG23 THR A 64 13.518 -1.468 4.265 1.00 1.00 H new ATOM 937 N GLY A 65 10.392 -4.103 1.618 1.00 1.00 N ATOM 938 CA GLY A 65 9.822 -4.702 0.394 1.00 1.00 C ATOM 939 C GLY A 65 8.886 -3.719 -0.297 1.00 1.00 C ATOM 940 O GLY A 65 8.268 -2.866 0.341 1.00 1.00 O ATOM 0 H GLY A 65 9.741 -3.520 2.144 1.00 1.00 H new ATOM 0 HA2 GLY A 65 10.625 -4.987 -0.286 1.00 1.00 H new ATOM 0 HA3 GLY A 65 9.279 -5.613 0.647 1.00 1.00 H new ATOM 944 N LEU A 66 8.784 -3.849 -1.616 1.00 1.00 N ATOM 945 CA LEU A 66 7.908 -2.973 -2.428 1.00 1.00 C ATOM 946 C LEU A 66 7.074 -3.826 -3.387 1.00 1.00 C ATOM 947 O LEU A 66 7.468 -4.911 -3.814 1.00 1.00 O ATOM 948 CB LEU A 66 8.768 -1.898 -3.217 1.00 1.00 C ATOM 949 CG LEU A 66 8.726 -0.478 -2.531 1.00 1.00 C ATOM 950 CD1 LEU A 66 9.884 0.410 -3.050 1.00 1.00 C ATOM 951 CD2 LEU A 66 7.377 0.240 -2.834 1.00 1.00 C ATOM 0 H LEU A 66 9.292 -4.549 -2.157 1.00 1.00 H new ATOM 0 HA LEU A 66 7.232 -2.432 -1.767 1.00 1.00 H new ATOM 0 HB2 LEU A 66 9.802 -2.238 -3.280 1.00 1.00 H new ATOM 0 HB3 LEU A 66 8.396 -1.817 -4.238 1.00 1.00 H new ATOM 0 HG LEU A 66 8.828 -0.627 -1.456 1.00 1.00 H new ATOM 0 HD11 LEU A 66 9.839 1.386 -2.566 1.00 1.00 H new ATOM 0 HD12 LEU A 66 10.838 -0.065 -2.821 1.00 1.00 H new ATOM 0 HD13 LEU A 66 9.791 0.535 -4.129 1.00 1.00 H new ATOM 0 HD21 LEU A 66 7.369 1.217 -2.352 1.00 1.00 H new ATOM 0 HD22 LEU A 66 7.266 0.366 -3.911 1.00 1.00 H new ATOM 0 HD23 LEU A 66 6.551 -0.360 -2.452 1.00 1.00 H new ATOM 963 N ALA A 67 5.908 -3.291 -3.734 1.00 1.00 N ATOM 964 CA ALA A 67 4.971 -3.962 -4.639 1.00 1.00 C ATOM 965 C ALA A 67 4.312 -2.934 -5.551 1.00 1.00 C ATOM 966 O ALA A 67 4.194 -1.755 -5.215 1.00 1.00 O ATOM 967 CB ALA A 67 3.900 -4.693 -3.805 1.00 1.00 C ATOM 0 H ALA A 67 5.583 -2.384 -3.399 1.00 1.00 H new ATOM 0 HA ALA A 67 5.507 -4.685 -5.254 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.199 -5.195 -4.472 1.00 1.00 H new ATOM 0 HB2 ALA A 67 4.380 -5.431 -3.162 1.00 1.00 H new ATOM 0 HB3 ALA A 67 3.362 -3.971 -3.190 1.00 1.00 H new ATOM 973 N ARG A 68 3.872 -3.402 -6.714 1.00 1.00 N ATOM 974 CA ARG A 68 3.207 -2.519 -7.702 1.00 1.00 C ATOM 975 C ARG A 68 1.772 -2.992 -7.932 1.00 1.00 C ATOM 976 O ARG A 68 1.533 -4.119 -8.365 1.00 1.00 O ATOM 977 CB ARG A 68 4.001 -2.528 -9.037 1.00 1.00 C ATOM 978 CG ARG A 68 3.412 -1.492 -10.032 1.00 1.00 C ATOM 979 CD ARG A 68 4.235 -1.459 -11.334 1.00 1.00 C ATOM 980 NE ARG A 68 4.162 -2.758 -12.006 1.00 1.00 N ATOM 981 CZ ARG A 68 4.836 -3.016 -13.133 1.00 1.00 C ATOM 982 NH1 ARG A 68 5.564 -2.093 -13.708 1.00 1.00 N ATOM 983 NH2 ARG A 68 4.756 -4.202 -13.670 1.00 1.00 N ATOM 0 H ARG A 68 3.956 -4.376 -7.006 1.00 1.00 H new ATOM 0 HA ARG A 68 3.184 -1.499 -7.317 1.00 1.00 H new ATOM 0 HB2 ARG A 68 5.049 -2.299 -8.844 1.00 1.00 H new ATOM 0 HB3 ARG A 68 3.968 -3.524 -9.479 1.00 1.00 H new ATOM 0 HG2 ARG A 68 2.376 -1.745 -10.257 1.00 1.00 H new ATOM 0 HG3 ARG A 68 3.407 -0.503 -9.574 1.00 1.00 H new ATOM 0 HD2 ARG A 68 3.857 -0.678 -11.993 1.00 1.00 H new ATOM 0 HD3 ARG A 68 5.273 -1.213 -11.111 1.00 1.00 H new ATOM 0 HE ARG A 68 3.578 -3.490 -11.602 1.00 1.00 H new ATOM 0 HH11 ARG A 68 5.624 -1.161 -13.297 1.00 1.00 H new ATOM 0 HH12 ARG A 68 6.072 -2.305 -14.567 1.00 1.00 H new ATOM 0 HH21 ARG A 68 4.183 -4.923 -13.231 1.00 1.00 H new ATOM 0 HH22 ARG A 68 5.266 -4.408 -14.529 1.00 1.00 H new ATOM 997 N VAL A 69 0.822 -2.107 -7.649 1.00 1.00 N ATOM 998 CA VAL A 69 -0.611 -2.408 -7.825 1.00 1.00 C ATOM 999 C VAL A 69 -1.295 -1.225 -8.526 1.00 1.00 C ATOM 1000 O VAL A 69 -1.188 -0.075 -8.103 1.00 1.00 O ATOM 1001 CB VAL A 69 -1.274 -2.677 -6.440 1.00 1.00 C ATOM 1002 CG1 VAL A 69 -2.754 -3.108 -6.617 1.00 1.00 C ATOM 1003 CG2 VAL A 69 -0.495 -3.795 -5.704 1.00 1.00 C ATOM 0 H VAL A 69 1.011 -1.169 -7.295 1.00 1.00 H new ATOM 0 HA VAL A 69 -0.724 -3.301 -8.439 1.00 1.00 H new ATOM 0 HB VAL A 69 -1.246 -1.758 -5.854 1.00 1.00 H new ATOM 0 HG11 VAL A 69 -3.199 -3.291 -5.639 1.00 1.00 H new ATOM 0 HG12 VAL A 69 -3.305 -2.316 -7.124 1.00 1.00 H new ATOM 0 HG13 VAL A 69 -2.799 -4.020 -7.212 1.00 1.00 H new ATOM 0 HG21 VAL A 69 -0.958 -3.984 -4.735 1.00 1.00 H new ATOM 0 HG22 VAL A 69 -0.517 -4.707 -6.301 1.00 1.00 H new ATOM 0 HG23 VAL A 69 0.539 -3.482 -5.557 1.00 1.00 H new ATOM 1013 N GLN A 70 -2.022 -1.539 -9.594 1.00 1.00 N ATOM 1014 CA GLN A 70 -2.743 -0.508 -10.371 1.00 1.00 C ATOM 1015 C GLN A 70 -4.214 -0.484 -9.961 1.00 1.00 C ATOM 1016 O GLN A 70 -4.819 -1.536 -9.753 1.00 1.00 O ATOM 1017 CB GLN A 70 -2.623 -0.820 -11.882 1.00 1.00 C ATOM 1018 CG GLN A 70 -1.141 -0.809 -12.337 1.00 1.00 C ATOM 1019 CD GLN A 70 -0.519 0.583 -12.180 1.00 1.00 C ATOM 1020 OE1 GLN A 70 -1.147 1.587 -12.515 1.00 1.00 O ATOM 1021 NE2 GLN A 70 0.688 0.699 -11.692 1.00 1.00 N ATOM 0 H GLN A 70 -2.134 -2.489 -9.948 1.00 1.00 H new ATOM 0 HA GLN A 70 -2.303 0.469 -10.169 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -3.064 -1.795 -12.092 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -3.188 -0.085 -12.455 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -0.573 -1.531 -11.750 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -1.076 -1.123 -13.379 1.00 1.00 H new ATOM 0 HE21 GLN A 70 1.208 -0.133 -11.414 1.00 1.00 H new ATOM 0 HE22 GLN A 70 1.110 1.622 -11.589 1.00 1.00 H new ATOM 1030 N TRP A 71 -4.783 0.712 -9.860 1.00 1.00 N ATOM 1031 CA TRP A 71 -6.200 0.883 -9.485 1.00 1.00 C ATOM 1032 C TRP A 71 -6.849 1.970 -10.362 1.00 1.00 C ATOM 1033 O TRP A 71 -6.423 3.125 -10.391 1.00 1.00 O ATOM 1034 CB TRP A 71 -6.327 1.263 -7.983 1.00 1.00 C ATOM 1035 CG TRP A 71 -7.785 1.367 -7.605 1.00 1.00 C ATOM 1036 CD1 TRP A 71 -8.683 0.359 -7.698 1.00 1.00 C ATOM 1037 CD2 TRP A 71 -8.521 2.523 -7.107 1.00 1.00 C ATOM 1038 NE1 TRP A 71 -9.922 0.826 -7.311 1.00 1.00 N ATOM 1039 CE2 TRP A 71 -9.877 2.155 -6.938 1.00 1.00 C ATOM 1040 CE3 TRP A 71 -8.150 3.841 -6.797 1.00 1.00 C ATOM 1041 CZ2 TRP A 71 -10.830 3.066 -6.481 1.00 1.00 C ATOM 1042 CZ3 TRP A 71 -9.105 4.762 -6.334 1.00 1.00 C ATOM 1043 CH2 TRP A 71 -10.443 4.377 -6.181 1.00 1.00 C ATOM 0 H TRP A 71 -4.289 1.588 -10.032 1.00 1.00 H new ATOM 0 HA TRP A 71 -6.718 -0.062 -9.647 1.00 1.00 H new ATOM 0 HB2 TRP A 71 -5.834 0.512 -7.365 1.00 1.00 H new ATOM 0 HB3 TRP A 71 -5.824 2.211 -7.794 1.00 1.00 H new ATOM 0 HD1 TRP A 71 -8.465 -0.648 -8.023 1.00 1.00 H new ATOM 0 HE1 TRP A 71 -10.769 0.258 -7.301 1.00 1.00 H new ATOM 0 HE3 TRP A 71 -7.122 4.150 -6.915 1.00 1.00 H new ATOM 0 HZ2 TRP A 71 -11.859 2.762 -6.360 1.00 1.00 H new ATOM 0 HZ3 TRP A 71 -8.806 5.772 -6.095 1.00 1.00 H new ATOM 0 HH2 TRP A 71 -11.175 5.091 -5.832 1.00 1.00 H new ATOM 1054 N LYS A 72 -7.906 1.572 -11.064 1.00 1.00 N ATOM 1055 CA LYS A 72 -8.649 2.492 -11.945 1.00 1.00 C ATOM 1056 C LYS A 72 -9.810 3.126 -11.172 1.00 1.00 C ATOM 1057 O LYS A 72 -10.630 2.422 -10.585 1.00 1.00 O ATOM 1058 CB LYS A 72 -9.171 1.716 -13.181 1.00 1.00 C ATOM 1059 CG LYS A 72 -9.889 2.674 -14.187 1.00 1.00 C ATOM 1060 CD LYS A 72 -10.259 1.931 -15.526 1.00 1.00 C ATOM 1061 CE LYS A 72 -9.075 1.933 -16.528 1.00 1.00 C ATOM 1062 NZ LYS A 72 -8.724 3.337 -16.892 1.00 1.00 N ATOM 0 H LYS A 72 -8.274 0.621 -11.046 1.00 1.00 H new ATOM 0 HA LYS A 72 -7.987 3.288 -12.286 1.00 1.00 H new ATOM 0 HB2 LYS A 72 -8.339 1.218 -13.679 1.00 1.00 H new ATOM 0 HB3 LYS A 72 -9.862 0.937 -12.860 1.00 1.00 H new ATOM 0 HG2 LYS A 72 -10.794 3.073 -13.729 1.00 1.00 H new ATOM 0 HG3 LYS A 72 -9.242 3.523 -14.407 1.00 1.00 H new ATOM 0 HD2 LYS A 72 -10.547 0.903 -15.305 1.00 1.00 H new ATOM 0 HD3 LYS A 72 -11.123 2.413 -15.983 1.00 1.00 H new ATOM 0 HE2 LYS A 72 -8.212 1.435 -16.086 1.00 1.00 H new ATOM 0 HE3 LYS A 72 -9.343 1.372 -17.423 1.00 1.00 H new ATOM 0 HZ1 LYS A 72 -8.736 3.441 -17.927 1.00 1.00 H new ATOM 0 HZ2 LYS A 72 -9.417 3.988 -16.471 1.00 1.00 H new ATOM 0 HZ3 LYS A 72 -7.774 3.562 -16.532 1.00 1.00 H new ATOM 1076 N ALA A 73 -9.878 4.454 -11.193 1.00 1.00 N ATOM 1077 CA ALA A 73 -10.955 5.157 -10.481 1.00 1.00 C ATOM 1078 C ALA A 73 -12.285 4.933 -11.204 1.00 1.00 C ATOM 1079 O ALA A 73 -12.347 4.977 -12.433 1.00 1.00 O ATOM 1080 CB ALA A 73 -10.638 6.661 -10.400 1.00 1.00 C ATOM 0 H ALA A 73 -9.219 5.059 -11.682 1.00 1.00 H new ATOM 0 HA ALA A 73 -11.033 4.762 -9.468 1.00 1.00 H new ATOM 0 HB1 ALA A 73 -11.441 7.174 -9.871 1.00 1.00 H new ATOM 0 HB2 ALA A 73 -9.700 6.807 -9.865 1.00 1.00 H new ATOM 0 HB3 ALA A 73 -10.548 7.069 -11.407 1.00 1.00 H new ATOM 1086 N THR A 74 -13.344 4.704 -10.434 1.00 1.00 N ATOM 1087 CA THR A 74 -14.685 4.458 -10.998 1.00 1.00 C ATOM 1088 C THR A 74 -15.770 5.001 -10.069 1.00 1.00 C ATOM 1089 O THR A 74 -15.474 5.649 -9.067 1.00 1.00 O ATOM 1090 CB THR A 74 -14.875 2.942 -11.226 1.00 1.00 C ATOM 1091 OG1 THR A 74 -16.206 2.688 -11.652 1.00 1.00 O ATOM 1092 CG2 THR A 74 -14.591 2.155 -9.930 1.00 1.00 C ATOM 0 H THR A 74 -13.309 4.682 -9.415 1.00 1.00 H new ATOM 0 HA THR A 74 -14.771 4.978 -11.952 1.00 1.00 H new ATOM 0 HB THR A 74 -14.173 2.616 -11.993 1.00 1.00 H new ATOM 0 HG1 THR A 74 -16.325 1.726 -11.798 1.00 1.00 H new ATOM 0 HG21 THR A 74 -14.731 1.090 -10.113 1.00 1.00 H new ATOM 0 HG22 THR A 74 -13.565 2.337 -9.611 1.00 1.00 H new ATOM 0 HG23 THR A 74 -15.277 2.482 -9.148 1.00 1.00 H new ATOM 1254 N GLY A 85 -13.817 11.482 -0.059 1.00 1.00 N ATOM 1255 CA GLY A 85 -13.222 10.714 1.042 1.00 1.00 C ATOM 1256 C GLY A 85 -12.885 9.296 0.587 1.00 1.00 C ATOM 1257 O GLY A 85 -13.625 8.347 0.846 1.00 1.00 O ATOM 0 HA2 GLY A 85 -12.319 11.213 1.394 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -13.915 10.677 1.883 1.00 1.00 H new ATOM 1261 N VAL A 86 -11.744 9.162 -0.081 1.00 1.00 N ATOM 1262 CA VAL A 86 -11.266 7.853 -0.587 1.00 1.00 C ATOM 1263 C VAL A 86 -9.857 7.586 -0.020 1.00 1.00 C ATOM 1264 O VAL A 86 -8.907 7.459 -0.791 1.00 1.00 O ATOM 1265 CB VAL A 86 -11.238 7.872 -2.156 1.00 1.00 C ATOM 1266 CG1 VAL A 86 -12.675 7.756 -2.731 1.00 1.00 C ATOM 1267 CG2 VAL A 86 -10.584 9.182 -2.668 1.00 1.00 C ATOM 0 H VAL A 86 -11.120 9.941 -0.292 1.00 1.00 H new ATOM 0 HA VAL A 86 -11.938 7.057 -0.266 1.00 1.00 H new ATOM 0 HB VAL A 86 -10.650 7.018 -2.493 1.00 1.00 H new ATOM 0 HG11 VAL A 86 -12.633 7.771 -3.820 1.00 1.00 H new ATOM 0 HG12 VAL A 86 -13.126 6.821 -2.398 1.00 1.00 H new ATOM 0 HG13 VAL A 86 -13.276 8.594 -2.379 1.00 1.00 H new ATOM 0 HG21 VAL A 86 -10.572 9.181 -3.758 1.00 1.00 H new ATOM 0 HG22 VAL A 86 -11.158 10.038 -2.313 1.00 1.00 H new ATOM 0 HG23 VAL A 86 -9.562 9.249 -2.294 1.00 1.00 H new ATOM 1277 N PRO A 87 -9.720 7.473 1.275 1.00 1.00 N ATOM 1278 CA PRO A 87 -8.386 7.196 1.907 1.00 1.00 C ATOM 1279 C PRO A 87 -7.848 5.821 1.493 1.00 1.00 C ATOM 1280 O PRO A 87 -8.607 4.884 1.243 1.00 1.00 O ATOM 1281 CB PRO A 87 -8.693 7.269 3.431 1.00 1.00 C ATOM 1282 CG PRO A 87 -10.136 6.858 3.503 1.00 1.00 C ATOM 1283 CD PRO A 87 -10.780 7.596 2.326 1.00 1.00 C ATOM 0 HA PRO A 87 -7.610 7.899 1.602 1.00 1.00 H new ATOM 0 HB2 PRO A 87 -8.053 6.599 4.005 1.00 1.00 H new ATOM 0 HB3 PRO A 87 -8.539 8.273 3.827 1.00 1.00 H new ATOM 0 HG2 PRO A 87 -10.250 5.778 3.410 1.00 1.00 H new ATOM 0 HG3 PRO A 87 -10.588 7.146 4.452 1.00 1.00 H new ATOM 0 HD2 PRO A 87 -11.718 7.135 2.017 1.00 1.00 H new ATOM 0 HD3 PRO A 87 -11.000 8.636 2.566 1.00 1.00 H new ATOM 1291 N VAL A 88 -6.525 5.716 1.438 1.00 1.00 N ATOM 1292 CA VAL A 88 -5.856 4.447 1.058 1.00 1.00 C ATOM 1293 C VAL A 88 -5.291 3.764 2.311 1.00 1.00 C ATOM 1294 O VAL A 88 -4.371 4.274 2.953 1.00 1.00 O ATOM 1295 CB VAL A 88 -4.717 4.735 0.038 1.00 1.00 C ATOM 1296 CG1 VAL A 88 -4.117 3.407 -0.498 1.00 1.00 C ATOM 1297 CG2 VAL A 88 -5.285 5.555 -1.147 1.00 1.00 C ATOM 0 H VAL A 88 -5.885 6.482 1.648 1.00 1.00 H new ATOM 0 HA VAL A 88 -6.582 3.781 0.592 1.00 1.00 H new ATOM 0 HB VAL A 88 -3.931 5.299 0.540 1.00 1.00 H new ATOM 0 HG11 VAL A 88 -3.322 3.628 -1.210 1.00 1.00 H new ATOM 0 HG12 VAL A 88 -3.710 2.830 0.333 1.00 1.00 H new ATOM 0 HG13 VAL A 88 -4.897 2.829 -0.993 1.00 1.00 H new ATOM 0 HG21 VAL A 88 -4.489 5.758 -1.863 1.00 1.00 H new ATOM 0 HG22 VAL A 88 -6.077 4.987 -1.636 1.00 1.00 H new ATOM 0 HG23 VAL A 88 -5.689 6.497 -0.777 1.00 1.00 H new ATOM 1307 N TYR A 89 -5.845 2.602 2.640 1.00 1.00 N ATOM 1308 CA TYR A 89 -5.405 1.816 3.816 1.00 1.00 C ATOM 1309 C TYR A 89 -4.633 0.579 3.344 1.00 1.00 C ATOM 1310 O TYR A 89 -4.915 -0.002 2.296 1.00 1.00 O ATOM 1311 CB TYR A 89 -6.642 1.395 4.672 1.00 1.00 C ATOM 1312 CG TYR A 89 -7.131 2.586 5.523 1.00 1.00 C ATOM 1313 CD1 TYR A 89 -6.466 2.894 6.729 1.00 1.00 C ATOM 1314 CD2 TYR A 89 -8.218 3.380 5.116 1.00 1.00 C ATOM 1315 CE1 TYR A 89 -6.886 3.977 7.509 1.00 1.00 C ATOM 1316 CE2 TYR A 89 -8.635 4.462 5.907 1.00 1.00 C ATOM 1317 CZ TYR A 89 -7.968 4.758 7.100 1.00 1.00 C ATOM 1318 OH TYR A 89 -8.375 5.826 7.869 1.00 1.00 O ATOM 0 H TYR A 89 -6.605 2.171 2.113 1.00 1.00 H new ATOM 0 HA TYR A 89 -4.750 2.427 4.436 1.00 1.00 H new ATOM 0 HB2 TYR A 89 -7.445 1.051 4.020 1.00 1.00 H new ATOM 0 HB3 TYR A 89 -6.378 0.560 5.320 1.00 1.00 H new ATOM 0 HD1 TYR A 89 -5.630 2.291 7.051 1.00 1.00 H new ATOM 0 HD2 TYR A 89 -8.733 3.157 4.193 1.00 1.00 H new ATOM 0 HE1 TYR A 89 -6.372 4.209 8.430 1.00 1.00 H new ATOM 0 HE2 TYR A 89 -9.473 5.067 5.594 1.00 1.00 H new ATOM 0 HH TYR A 89 -9.140 6.264 7.441 1.00 1.00 H new ATOM 1328 N ALA A 90 -3.655 0.180 4.152 1.00 1.00 N ATOM 1329 CA ALA A 90 -2.815 -0.985 3.839 1.00 1.00 C ATOM 1330 C ALA A 90 -2.404 -1.695 5.127 1.00 1.00 C ATOM 1331 O ALA A 90 -2.132 -1.059 6.145 1.00 1.00 O ATOM 1332 CB ALA A 90 -1.564 -0.516 3.075 1.00 1.00 C ATOM 0 H ALA A 90 -3.420 0.643 5.030 1.00 1.00 H new ATOM 0 HA ALA A 90 -3.379 -1.683 3.221 1.00 1.00 H new ATOM 0 HB1 ALA A 90 -0.937 -1.376 2.840 1.00 1.00 H new ATOM 0 HB2 ALA A 90 -1.866 -0.024 2.150 1.00 1.00 H new ATOM 0 HB3 ALA A 90 -1.002 0.185 3.692 1.00 1.00 H new ATOM 1338 N VAL A 91 -2.355 -3.021 5.067 1.00 1.00 N ATOM 1339 CA VAL A 91 -1.981 -3.851 6.235 1.00 1.00 C ATOM 1340 C VAL A 91 -0.952 -4.909 5.821 1.00 1.00 C ATOM 1341 O VAL A 91 -1.068 -5.526 4.762 1.00 1.00 O ATOM 1342 CB VAL A 91 -3.255 -4.534 6.809 1.00 1.00 C ATOM 1343 CG1 VAL A 91 -2.916 -5.347 8.089 1.00 1.00 C ATOM 1344 CG2 VAL A 91 -4.308 -3.453 7.147 1.00 1.00 C ATOM 0 H VAL A 91 -2.568 -3.557 4.226 1.00 1.00 H new ATOM 0 HA VAL A 91 -1.536 -3.218 7.002 1.00 1.00 H new ATOM 0 HB VAL A 91 -3.652 -5.219 6.059 1.00 1.00 H new ATOM 0 HG11 VAL A 91 -3.822 -5.816 8.473 1.00 1.00 H new ATOM 0 HG12 VAL A 91 -2.183 -6.117 7.848 1.00 1.00 H new ATOM 0 HG13 VAL A 91 -2.504 -4.679 8.846 1.00 1.00 H new ATOM 0 HG21 VAL A 91 -5.202 -3.929 7.550 1.00 1.00 H new ATOM 0 HG22 VAL A 91 -3.899 -2.765 7.887 1.00 1.00 H new ATOM 0 HG23 VAL A 91 -4.566 -2.902 6.243 1.00 1.00 H new ATOM 1354 N VAL A 92 0.041 -5.120 6.677 1.00 1.00 N ATOM 1355 CA VAL A 92 1.099 -6.105 6.426 1.00 1.00 C ATOM 1356 C VAL A 92 0.638 -7.494 6.877 1.00 1.00 C ATOM 1357 O VAL A 92 0.075 -7.633 7.963 1.00 1.00 O ATOM 1358 CB VAL A 92 2.385 -5.666 7.188 1.00 1.00 C ATOM 1359 CG1 VAL A 92 2.800 -4.256 6.706 1.00 1.00 C ATOM 1360 CG2 VAL A 92 2.144 -5.630 8.727 1.00 1.00 C ATOM 0 H VAL A 92 0.140 -4.620 7.560 1.00 1.00 H new ATOM 0 HA VAL A 92 1.319 -6.157 5.360 1.00 1.00 H new ATOM 0 HB VAL A 92 3.174 -6.389 6.981 1.00 1.00 H new ATOM 0 HG11 VAL A 92 3.700 -3.941 7.235 1.00 1.00 H new ATOM 0 HG12 VAL A 92 2.999 -4.282 5.635 1.00 1.00 H new ATOM 0 HG13 VAL A 92 1.994 -3.550 6.909 1.00 1.00 H new ATOM 0 HG21 VAL A 92 3.059 -5.320 9.231 1.00 1.00 H new ATOM 0 HG22 VAL A 92 1.347 -4.922 8.954 1.00 1.00 H new ATOM 0 HG23 VAL A 92 1.857 -6.623 9.074 1.00 1.00 H new ATOM 1370 N ASP A 93 0.892 -8.511 6.059 1.00 1.00 N ATOM 1371 CA ASP A 93 0.486 -9.900 6.379 1.00 1.00 C ATOM 1372 C ASP A 93 0.797 -10.260 7.863 1.00 1.00 C ATOM 1373 O ASP A 93 1.606 -9.556 8.466 1.00 1.00 O ATOM 1374 CB ASP A 93 1.193 -10.896 5.387 1.00 1.00 C ATOM 1375 CG ASP A 93 2.531 -11.432 5.941 1.00 1.00 C ATOM 1376 OD1 ASP A 93 3.376 -10.626 6.290 1.00 1.00 O ATOM 1377 OD2 ASP A 93 2.685 -12.645 5.996 1.00 1.00 O ATOM 0 H ASP A 93 1.376 -8.412 5.167 1.00 1.00 H new ATOM 0 HA ASP A 93 -0.594 -9.986 6.255 1.00 1.00 H new ATOM 0 HB2 ASP A 93 0.527 -11.734 5.182 1.00 1.00 H new ATOM 0 HB3 ASP A 93 1.372 -10.392 4.437 1.00 1.00 H new ATOM 1542 N ASN A 105 1.498 -0.672 15.094 1.00 1.00 N ATOM 1543 CA ASN A 105 2.845 -0.069 14.892 1.00 1.00 C ATOM 1544 C ASN A 105 3.340 -0.367 13.474 1.00 1.00 C ATOM 1545 O ASN A 105 4.546 -0.388 13.226 1.00 1.00 O ATOM 1546 CB ASN A 105 3.866 -0.606 15.933 1.00 1.00 C ATOM 1547 CG ASN A 105 3.272 -0.529 17.336 1.00 1.00 C ATOM 1548 OD1 ASN A 105 2.528 0.401 17.649 1.00 1.00 O ATOM 1549 ND2 ASN A 105 3.563 -1.457 18.208 1.00 1.00 N ATOM 0 HA ASN A 105 2.758 1.009 15.029 1.00 1.00 H new ATOM 0 HB2 ASN A 105 4.130 -1.637 15.697 1.00 1.00 H new ATOM 0 HB3 ASN A 105 4.786 -0.023 15.886 1.00 1.00 H new ATOM 0 HD21 ASN A 105 3.174 -1.412 19.150 1.00 1.00 H new ATOM 0 HD22 ASN A 105 4.179 -2.227 17.947 1.00 1.00 H new ATOM 1556 N ASN A 106 2.408 -0.570 12.549 1.00 1.00 N ATOM 1557 CA ASN A 106 2.741 -0.871 11.143 1.00 1.00 C ATOM 1558 C ASN A 106 1.592 -0.456 10.217 1.00 1.00 C ATOM 1559 O ASN A 106 1.439 -1.002 9.123 1.00 1.00 O ATOM 1560 CB ASN A 106 3.010 -2.383 10.987 1.00 1.00 C ATOM 1561 CG ASN A 106 4.194 -2.809 11.854 1.00 1.00 C ATOM 1562 OD1 ASN A 106 4.051 -3.668 12.724 1.00 1.00 O ATOM 1563 ND2 ASN A 106 5.362 -2.257 11.662 1.00 1.00 N ATOM 0 H ASN A 106 1.407 -0.533 12.740 1.00 1.00 H new ATOM 0 HA ASN A 106 3.633 -0.309 10.867 1.00 1.00 H new ATOM 0 HB2 ASN A 106 2.122 -2.947 11.271 1.00 1.00 H new ATOM 0 HB3 ASN A 106 3.215 -2.616 9.942 1.00 1.00 H new ATOM 0 HD21 ASN A 106 6.159 -2.537 12.234 1.00 1.00 H new ATOM 0 HD22 ASN A 106 5.477 -1.545 10.940 1.00 1.00 H new ATOM 1570 N VAL A 107 0.808 0.525 10.652 1.00 1.00 N ATOM 1571 CA VAL A 107 -0.340 1.028 9.856 1.00 1.00 C ATOM 1572 C VAL A 107 0.039 2.356 9.199 1.00 1.00 C ATOM 1573 O VAL A 107 0.650 3.222 9.825 1.00 1.00 O ATOM 1574 CB VAL A 107 -1.588 1.216 10.769 1.00 1.00 C ATOM 1575 CG1 VAL A 107 -2.821 1.660 9.930 1.00 1.00 C ATOM 1576 CG2 VAL A 107 -1.907 -0.121 11.477 1.00 1.00 C ATOM 0 H VAL A 107 0.934 0.996 11.548 1.00 1.00 H new ATOM 0 HA VAL A 107 -0.586 0.301 9.082 1.00 1.00 H new ATOM 0 HB VAL A 107 -1.370 1.989 11.506 1.00 1.00 H new ATOM 0 HG11 VAL A 107 -3.682 1.786 10.587 1.00 1.00 H new ATOM 0 HG12 VAL A 107 -2.602 2.605 9.434 1.00 1.00 H new ATOM 0 HG13 VAL A 107 -3.044 0.900 9.181 1.00 1.00 H new ATOM 0 HG21 VAL A 107 -2.780 0.006 12.117 1.00 1.00 H new ATOM 0 HG22 VAL A 107 -2.113 -0.888 10.730 1.00 1.00 H new ATOM 0 HG23 VAL A 107 -1.053 -0.424 12.083 1.00 1.00 H new ATOM 1586 N PHE A 108 -0.329 2.503 7.929 1.00 1.00 N ATOM 1587 CA PHE A 108 -0.030 3.730 7.169 1.00 1.00 C ATOM 1588 C PHE A 108 -1.205 4.090 6.255 1.00 1.00 C ATOM 1589 O PHE A 108 -1.798 3.225 5.612 1.00 1.00 O ATOM 1590 CB PHE A 108 1.247 3.511 6.327 1.00 1.00 C ATOM 1591 CG PHE A 108 2.377 3.021 7.241 1.00 1.00 C ATOM 1592 CD1 PHE A 108 2.898 3.883 8.225 1.00 1.00 C ATOM 1593 CD2 PHE A 108 2.904 1.713 7.117 1.00 1.00 C ATOM 1594 CE1 PHE A 108 3.930 3.448 9.069 1.00 1.00 C ATOM 1595 CE2 PHE A 108 3.935 1.288 7.967 1.00 1.00 C ATOM 1596 CZ PHE A 108 4.447 2.153 8.941 1.00 1.00 C ATOM 0 H PHE A 108 -0.834 1.793 7.398 1.00 1.00 H new ATOM 0 HA PHE A 108 0.130 4.553 7.866 1.00 1.00 H new ATOM 0 HB2 PHE A 108 1.057 2.781 5.540 1.00 1.00 H new ATOM 0 HB3 PHE A 108 1.537 4.440 5.836 1.00 1.00 H new ATOM 0 HD1 PHE A 108 2.502 4.882 8.330 1.00 1.00 H new ATOM 0 HD2 PHE A 108 2.512 1.042 6.367 1.00 1.00 H new ATOM 0 HE1 PHE A 108 4.327 4.114 9.820 1.00 1.00 H new ATOM 0 HE2 PHE A 108 4.335 0.290 7.870 1.00 1.00 H new ATOM 0 HZ PHE A 108 5.241 1.822 9.594 1.00 1.00 H new ATOM 1606 N SER A 109 -1.517 5.382 6.192 1.00 1.00 N ATOM 1607 CA SER A 109 -2.619 5.871 5.356 1.00 1.00 C ATOM 1608 C SER A 109 -2.524 7.391 5.197 1.00 1.00 C ATOM 1609 O SER A 109 -2.215 8.106 6.150 1.00 1.00 O ATOM 1610 CB SER A 109 -3.963 5.506 6.012 1.00 1.00 C ATOM 1611 OG SER A 109 -4.047 4.099 6.153 1.00 1.00 O ATOM 0 H SER A 109 -1.025 6.111 6.708 1.00 1.00 H new ATOM 0 HA SER A 109 -2.553 5.406 4.373 1.00 1.00 H new ATOM 0 HB2 SER A 109 -4.048 5.987 6.987 1.00 1.00 H new ATOM 0 HB3 SER A 109 -4.790 5.872 5.403 1.00 1.00 H new ATOM 0 HG SER A 109 -4.827 3.871 6.701 1.00 1.00 H new ATOM 1617 N ARG A 110 -2.806 7.874 3.992 1.00 1.00 N ATOM 1618 CA ARG A 110 -2.761 9.323 3.697 1.00 1.00 C ATOM 1619 C ARG A 110 -3.995 9.744 2.898 1.00 1.00 C ATOM 1620 O ARG A 110 -4.549 8.962 2.125 1.00 1.00 O ATOM 1621 CB ARG A 110 -1.467 9.647 2.905 1.00 1.00 C ATOM 1622 CG ARG A 110 -1.488 8.990 1.501 1.00 1.00 C ATOM 1623 CD ARG A 110 -0.164 9.256 0.769 1.00 1.00 C ATOM 1624 NE ARG A 110 0.025 10.696 0.594 1.00 1.00 N ATOM 1625 CZ ARG A 110 1.113 11.212 0.011 1.00 1.00 C ATOM 1626 NH1 ARG A 110 2.067 10.437 -0.442 1.00 1.00 N ATOM 1627 NH2 ARG A 110 1.224 12.506 -0.109 1.00 1.00 N ATOM 0 H ARG A 110 -3.069 7.293 3.196 1.00 1.00 H new ATOM 0 HA ARG A 110 -2.757 9.880 4.634 1.00 1.00 H new ATOM 0 HB2 ARG A 110 -1.362 10.727 2.802 1.00 1.00 H new ATOM 0 HB3 ARG A 110 -0.599 9.294 3.462 1.00 1.00 H new ATOM 0 HG2 ARG A 110 -1.649 7.916 1.597 1.00 1.00 H new ATOM 0 HG3 ARG A 110 -2.320 9.387 0.919 1.00 1.00 H new ATOM 0 HD2 ARG A 110 0.667 8.837 1.337 1.00 1.00 H new ATOM 0 HD3 ARG A 110 -0.168 8.760 -0.202 1.00 1.00 H new ATOM 0 HE ARG A 110 -0.700 11.330 0.929 1.00 1.00 H new ATOM 0 HH11 ARG A 110 1.987 9.424 -0.353 1.00 1.00 H new ATOM 0 HH12 ARG A 110 2.890 10.846 -0.884 1.00 1.00 H new ATOM 0 HH21 ARG A 110 0.485 13.116 0.240 1.00 1.00 H new ATOM 0 HH22 ARG A 110 2.050 12.908 -0.552 1.00 1.00 H new ATOM 1641 N ILE A 111 -4.403 10.994 3.083 1.00 1.00 N ATOM 1642 CA ILE A 111 -5.566 11.543 2.374 1.00 1.00 C ATOM 1643 C ILE A 111 -5.097 12.144 1.040 1.00 1.00 C ATOM 1644 O ILE A 111 -4.131 12.904 0.984 1.00 1.00 O ATOM 1645 CB ILE A 111 -6.270 12.621 3.271 1.00 1.00 C ATOM 1646 CG1 ILE A 111 -7.029 11.930 4.455 1.00 1.00 C ATOM 1647 CG2 ILE A 111 -7.297 13.482 2.455 1.00 1.00 C ATOM 1648 CD1 ILE A 111 -6.092 11.080 5.338 1.00 1.00 C ATOM 0 H ILE A 111 -3.949 11.651 3.717 1.00 1.00 H new ATOM 0 HA ILE A 111 -6.291 10.756 2.166 1.00 1.00 H new ATOM 0 HB ILE A 111 -5.488 13.277 3.652 1.00 1.00 H new ATOM 0 HG12 ILE A 111 -7.510 12.692 5.069 1.00 1.00 H new ATOM 0 HG13 ILE A 111 -7.821 11.296 4.055 1.00 1.00 H new ATOM 0 HG21 ILE A 111 -7.761 14.216 3.114 1.00 1.00 H new ATOM 0 HG22 ILE A 111 -6.778 13.997 1.647 1.00 1.00 H new ATOM 0 HG23 ILE A 111 -8.066 12.832 2.037 1.00 1.00 H new ATOM 0 HD11 ILE A 111 -6.667 10.623 6.144 1.00 1.00 H new ATOM 0 HD12 ILE A 111 -5.631 10.299 4.733 1.00 1.00 H new ATOM 0 HD13 ILE A 111 -5.315 11.716 5.762 1.00 1.00 H new ATOM 1660 N VAL A 112 -5.818 11.809 -0.024 1.00 1.00 N ATOM 1661 CA VAL A 112 -5.495 12.311 -1.374 1.00 1.00 C ATOM 1662 C VAL A 112 -6.780 12.598 -2.140 1.00 1.00 C ATOM 1663 O VAL A 112 -7.734 11.821 -2.092 1.00 1.00 O ATOM 1664 CB VAL A 112 -4.629 11.259 -2.125 1.00 1.00 C ATOM 1665 CG1 VAL A 112 -5.412 9.931 -2.325 1.00 1.00 C ATOM 1666 CG2 VAL A 112 -4.171 11.810 -3.503 1.00 1.00 C ATOM 0 H VAL A 112 -6.631 11.194 0.012 1.00 1.00 H new ATOM 0 HA VAL A 112 -4.928 13.239 -1.294 1.00 1.00 H new ATOM 0 HB VAL A 112 -3.750 11.056 -1.513 1.00 1.00 H new ATOM 0 HG11 VAL A 112 -4.783 9.214 -2.852 1.00 1.00 H new ATOM 0 HG12 VAL A 112 -5.691 9.523 -1.353 1.00 1.00 H new ATOM 0 HG13 VAL A 112 -6.312 10.124 -2.910 1.00 1.00 H new ATOM 0 HG21 VAL A 112 -3.567 11.059 -4.012 1.00 1.00 H new ATOM 0 HG22 VAL A 112 -5.045 12.045 -4.110 1.00 1.00 H new ATOM 0 HG23 VAL A 112 -3.579 12.713 -3.355 1.00 1.00 H new ATOM 1676 N LYS A 113 -6.789 13.711 -2.866 1.00 1.00 N ATOM 1677 CA LYS A 113 -7.954 14.114 -3.661 1.00 1.00 C ATOM 1678 C LYS A 113 -7.489 14.646 -5.015 1.00 1.00 C ATOM 1679 O LYS A 113 -6.360 15.112 -5.176 1.00 1.00 O ATOM 1680 CB LYS A 113 -8.755 15.203 -2.904 1.00 1.00 C ATOM 1681 CG LYS A 113 -9.287 14.634 -1.565 1.00 1.00 C ATOM 1682 CD LYS A 113 -10.142 15.691 -0.827 1.00 1.00 C ATOM 1683 CE LYS A 113 -10.649 15.117 0.513 1.00 1.00 C ATOM 1684 NZ LYS A 113 -11.478 16.134 1.219 1.00 1.00 N ATOM 0 H LYS A 113 -6.001 14.356 -2.923 1.00 1.00 H new ATOM 0 HA LYS A 113 -8.600 13.251 -3.821 1.00 1.00 H new ATOM 0 HB2 LYS A 113 -8.119 16.068 -2.714 1.00 1.00 H new ATOM 0 HB3 LYS A 113 -9.587 15.548 -3.518 1.00 1.00 H new ATOM 0 HG2 LYS A 113 -9.885 13.742 -1.754 1.00 1.00 H new ATOM 0 HG3 LYS A 113 -8.451 14.330 -0.935 1.00 1.00 H new ATOM 0 HD2 LYS A 113 -9.550 16.588 -0.647 1.00 1.00 H new ATOM 0 HD3 LYS A 113 -10.987 15.986 -1.449 1.00 1.00 H new ATOM 0 HE2 LYS A 113 -11.237 14.217 0.334 1.00 1.00 H new ATOM 0 HE3 LYS A 113 -9.804 14.827 1.137 1.00 1.00 H new ATOM 0 HZ1 LYS A 113 -11.816 15.741 2.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 113 -10.904 16.982 1.404 1.00 1.00 H new ATOM 0 HZ3 LYS A 113 -12.293 16.390 0.626 1.00 1.00 H new ATOM 1698 N VAL A 114 -8.388 14.577 -5.990 1.00 1.00 N ATOM 1699 CA VAL A 114 -8.101 15.036 -7.366 1.00 1.00 C ATOM 1700 C VAL A 114 -9.171 16.036 -7.820 1.00 1.00 C ATOM 1701 O VAL A 114 -10.369 15.807 -7.649 1.00 1.00 O ATOM 1702 CB VAL A 114 -8.044 13.804 -8.319 1.00 1.00 C ATOM 1703 CG1 VAL A 114 -6.843 12.902 -7.934 1.00 1.00 C ATOM 1704 CG2 VAL A 114 -9.354 12.981 -8.227 1.00 1.00 C ATOM 0 H VAL A 114 -9.330 14.207 -5.863 1.00 1.00 H new ATOM 0 HA VAL A 114 -7.136 15.542 -7.392 1.00 1.00 H new ATOM 0 HB VAL A 114 -7.925 14.163 -9.341 1.00 1.00 H new ATOM 0 HG11 VAL A 114 -6.806 12.041 -8.602 1.00 1.00 H new ATOM 0 HG12 VAL A 114 -5.917 13.471 -8.023 1.00 1.00 H new ATOM 0 HG13 VAL A 114 -6.961 12.559 -6.906 1.00 1.00 H new ATOM 0 HG21 VAL A 114 -9.294 12.125 -8.900 1.00 1.00 H new ATOM 0 HG22 VAL A 114 -9.492 12.630 -7.204 1.00 1.00 H new ATOM 0 HG23 VAL A 114 -10.199 13.608 -8.512 1.00 1.00 H new ATOM 1714 N LEU A 115 -8.723 17.140 -8.407 1.00 1.00 N ATOM 1715 CA LEU A 115 -9.629 18.190 -8.890 1.00 1.00 C ATOM 1716 C LEU A 115 -9.991 17.916 -10.359 1.00 1.00 C ATOM 1717 O LEU A 115 -9.136 17.948 -11.245 1.00 1.00 O ATOM 1718 CB LEU A 115 -8.935 19.572 -8.753 1.00 1.00 C ATOM 1719 CG LEU A 115 -8.422 19.804 -7.294 1.00 1.00 C ATOM 1720 CD1 LEU A 115 -7.720 21.180 -7.209 1.00 1.00 C ATOM 1721 CD2 LEU A 115 -9.586 19.736 -6.255 1.00 1.00 C ATOM 0 H LEU A 115 -7.734 17.337 -8.563 1.00 1.00 H new ATOM 0 HA LEU A 115 -10.543 18.193 -8.296 1.00 1.00 H new ATOM 0 HB2 LEU A 115 -8.099 19.633 -9.449 1.00 1.00 H new ATOM 0 HB3 LEU A 115 -9.635 20.362 -9.025 1.00 1.00 H new ATOM 0 HG LEU A 115 -7.716 19.009 -7.052 1.00 1.00 H new ATOM 0 HD11 LEU A 115 -7.362 21.344 -6.193 1.00 1.00 H new ATOM 0 HD12 LEU A 115 -6.876 21.201 -7.899 1.00 1.00 H new ATOM 0 HD13 LEU A 115 -8.427 21.966 -7.475 1.00 1.00 H new ATOM 0 HD21 LEU A 115 -9.190 19.902 -5.253 1.00 1.00 H new ATOM 0 HD22 LEU A 115 -10.324 20.504 -6.485 1.00 1.00 H new ATOM 0 HD23 LEU A 115 -10.057 18.754 -6.301 1.00 1.00 H new