USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 634 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 42 GLN : amide:sc= -10.6! C(o=-14!,f=-22!) USER MOD Set 1.2: A 66 LYS NZ :NH3+ 157:sc= -3.77 (180deg=-4.67!) USER MOD Set 2.1: A 40 SER OG : rot -91:sc= 0.146 USER MOD Set 2.2: A 43 TYR OH : rot 0:sc= -0.977 USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -16.8! C(o=-17!,f=-19!) USER MOD Single : A 9 THR OG1 : rot 180:sc=-0.00493 USER MOD Single : A 10 SER OG : rot 180:sc= -0.42 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.109) USER MOD Single : A 17 SER OG : rot 63:sc= 0.446 USER MOD Single : A 21 THR OG1 : rot -18:sc= 0.99 USER MOD Single : A 22 LYS NZ :NH3+ -150:sc= -0.433 (180deg=-1.66!) USER MOD Single : A 24 THR OG1 : rot -70:sc= 0.081 USER MOD Single : A 26 THR OG1 : rot -140:sc= -1.8! USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= -14.1! C(o=-14!,f=-15!) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.194 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.0176 X(o=-0.018,f=-0.0039) USER MOD Single : A 41 SER OG : rot -72:sc= 0.115 USER MOD Single : A 44 THR OG1 : rot 68:sc= 0.411 USER MOD Single : A 45 LYS NZ :NH3+ 158:sc= -0.0278 (180deg=-0.227) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -7.5! C(o=-7.5!,f=-6.7!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= -0.217 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -5.15! C(o=-5.1!,f=-6.5!) USER MOD Single : A 59 THR OG1 : rot 59:sc= 1.13 USER MOD Single : A 63 ASN : amide:sc= -0.925! X(o=-0.93!,f=-0.83) USER MOD Single : A 64 THR OG1 : rot -77:sc= 0.461 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 51:sc= -2.99 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -11.8! C(o=-12!,f=-17!) USER MOD Single : A 80 LYS NZ :NH3+ -175:sc=-0.00105 (180deg=-0.0161) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 74:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 37 N ASP A 3 -6.060 17.133 -5.631 1.00 0.00 N ATOM 38 CA ASP A 3 -7.104 16.125 -5.755 1.00 0.00 C ATOM 39 C ASP A 3 -6.558 14.843 -6.384 1.00 0.00 C ATOM 40 O ASP A 3 -6.882 14.511 -7.522 1.00 0.00 O ATOM 41 CB ASP A 3 -8.262 16.664 -6.582 1.00 0.00 C ATOM 42 CG ASP A 3 -9.265 15.590 -6.959 1.00 0.00 C ATOM 43 OD1 ASP A 3 -9.745 14.881 -6.051 1.00 0.00 O ATOM 44 OD2 ASP A 3 -9.569 15.459 -8.165 1.00 0.00 O ATOM 0 HA ASP A 3 -7.464 15.886 -4.754 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -8.770 17.448 -6.020 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.871 17.124 -7.489 1.00 0.00 H new ATOM 49 N PRO A 4 -5.717 14.106 -5.642 1.00 0.00 N ATOM 50 CA PRO A 4 -5.123 12.858 -6.120 1.00 0.00 C ATOM 51 C PRO A 4 -6.057 11.672 -5.941 1.00 0.00 C ATOM 52 O PRO A 4 -6.955 11.703 -5.097 1.00 0.00 O ATOM 53 CB PRO A 4 -3.893 12.712 -5.231 1.00 0.00 C ATOM 54 CG PRO A 4 -4.292 13.339 -3.937 1.00 0.00 C ATOM 55 CD PRO A 4 -5.275 14.434 -4.272 1.00 0.00 C ATOM 0 HA PRO A 4 -4.901 12.881 -7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -3.621 11.665 -5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -3.028 13.213 -5.665 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -4.744 12.602 -3.273 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -3.423 13.744 -3.419 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -6.112 14.447 -3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -4.808 15.418 -4.227 1.00 0.00 H new ATOM 63 N THR A 5 -5.852 10.625 -6.734 1.00 0.00 N ATOM 64 CA THR A 5 -6.699 9.441 -6.639 1.00 0.00 C ATOM 65 C THR A 5 -5.858 8.165 -6.564 1.00 0.00 C ATOM 66 O THR A 5 -4.734 8.117 -7.063 1.00 0.00 O ATOM 67 CB THR A 5 -7.679 9.382 -7.821 1.00 0.00 C ATOM 68 OG1 THR A 5 -8.943 9.899 -7.439 1.00 0.00 O ATOM 69 CG2 THR A 5 -7.906 7.988 -8.369 1.00 0.00 C ATOM 0 H THR A 5 -5.118 10.571 -7.440 1.00 0.00 H new ATOM 0 HA THR A 5 -7.277 9.512 -5.718 1.00 0.00 H new ATOM 0 HB THR A 5 -7.212 9.980 -8.604 1.00 0.00 H new ATOM 0 HG1 THR A 5 -9.557 9.857 -8.201 1.00 0.00 H new ATOM 0 HG21 THR A 5 -8.610 8.034 -9.200 1.00 0.00 H new ATOM 0 HG22 THR A 5 -6.959 7.575 -8.717 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.313 7.350 -7.584 1.00 0.00 H new ATOM 77 N ILE A 6 -6.416 7.140 -5.926 1.00 0.00 N ATOM 78 CA ILE A 6 -5.732 5.861 -5.769 1.00 0.00 C ATOM 79 C ILE A 6 -6.724 4.711 -5.748 1.00 0.00 C ATOM 80 O ILE A 6 -7.922 4.914 -5.548 1.00 0.00 O ATOM 81 CB ILE A 6 -4.915 5.820 -4.463 1.00 0.00 C ATOM 82 CG1 ILE A 6 -4.047 4.563 -4.397 1.00 0.00 C ATOM 83 CG2 ILE A 6 -5.847 5.878 -3.260 1.00 0.00 C ATOM 84 CD1 ILE A 6 -3.133 4.525 -3.191 1.00 0.00 C ATOM 0 H ILE A 6 -7.346 7.172 -5.507 1.00 0.00 H new ATOM 0 HA ILE A 6 -5.062 5.756 -6.622 1.00 0.00 H new ATOM 0 HB ILE A 6 -4.256 6.688 -4.447 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.693 3.685 -4.382 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.444 4.499 -5.303 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -5.259 5.848 -2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -6.424 6.802 -3.291 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -6.525 5.025 -3.284 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -2.547 3.606 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.463 5.384 -3.215 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.731 4.557 -2.280 1.00 0.00 H new ATOM 96 N ASN A 7 -6.217 3.504 -5.950 1.00 0.00 N ATOM 97 CA ASN A 7 -7.055 2.319 -5.943 1.00 0.00 C ATOM 98 C ASN A 7 -7.885 2.248 -4.674 1.00 0.00 C ATOM 99 O ASN A 7 -8.867 2.981 -4.573 1.00 0.00 O ATOM 100 CB ASN A 7 -6.232 1.052 -6.251 1.00 0.00 C ATOM 101 CG ASN A 7 -4.792 1.120 -5.749 1.00 0.00 C ATOM 102 OD1 ASN A 7 -4.404 0.398 -4.830 1.00 0.00 O ATOM 103 ND2 ASN A 7 -3.980 1.964 -6.365 1.00 0.00 N ATOM 0 H ASN A 7 -5.228 3.321 -6.121 1.00 0.00 H new ATOM 0 HA ASN A 7 -7.780 2.386 -6.754 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -6.725 0.191 -5.800 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -6.225 0.887 -7.328 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -3.002 2.030 -6.082 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -4.332 2.549 -7.123 1.00 0.00 H new ATOM 110 N PRO A 8 -7.598 1.394 -3.691 1.00 0.00 N ATOM 111 CA PRO A 8 -8.427 1.336 -2.535 1.00 0.00 C ATOM 112 C PRO A 8 -7.792 2.008 -1.321 1.00 0.00 C ATOM 113 O PRO A 8 -6.867 2.808 -1.455 1.00 0.00 O ATOM 114 CB PRO A 8 -8.512 -0.154 -2.350 1.00 0.00 C ATOM 115 CG PRO A 8 -7.126 -0.626 -2.645 1.00 0.00 C ATOM 116 CD PRO A 8 -6.529 0.392 -3.588 1.00 0.00 C ATOM 0 HA PRO A 8 -9.381 1.852 -2.643 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -8.817 -0.415 -1.337 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -9.240 -0.601 -3.027 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -6.537 -0.703 -1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -7.140 -1.617 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.608 0.820 -3.193 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.287 -0.045 -4.557 1.00 0.00 H new ATOM 124 N THR A 9 -8.296 1.675 -0.138 1.00 0.00 N ATOM 125 CA THR A 9 -7.774 2.244 1.091 1.00 0.00 C ATOM 126 C THR A 9 -7.739 1.206 2.213 1.00 0.00 C ATOM 127 O THR A 9 -7.391 1.528 3.349 1.00 0.00 O ATOM 128 CB THR A 9 -8.621 3.443 1.520 1.00 0.00 C ATOM 129 OG1 THR A 9 -8.865 4.303 0.422 1.00 0.00 O ATOM 130 CG2 THR A 9 -7.982 4.267 2.617 1.00 0.00 C ATOM 0 H THR A 9 -9.063 1.016 -0.008 1.00 0.00 H new ATOM 0 HA THR A 9 -6.753 2.573 0.899 1.00 0.00 H new ATOM 0 HB THR A 9 -9.549 3.018 1.902 1.00 0.00 H new ATOM 0 HG1 THR A 9 -9.409 5.063 0.716 1.00 0.00 H new ATOM 0 HG21 THR A 9 -8.635 5.101 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 9 -7.828 3.643 3.497 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.022 4.651 2.271 1.00 0.00 H new ATOM 138 N SER A 10 -8.099 -0.033 1.897 1.00 0.00 N ATOM 139 CA SER A 10 -8.102 -1.089 2.904 1.00 0.00 C ATOM 140 C SER A 10 -7.926 -2.469 2.280 1.00 0.00 C ATOM 141 O SER A 10 -8.566 -2.806 1.284 1.00 0.00 O ATOM 142 CB SER A 10 -9.403 -1.047 3.706 1.00 0.00 C ATOM 143 OG SER A 10 -9.761 0.281 4.030 1.00 0.00 O ATOM 0 H SER A 10 -8.389 -0.329 0.965 1.00 0.00 H new ATOM 0 HA SER A 10 -7.256 -0.911 3.567 1.00 0.00 H new ATOM 0 HB2 SER A 10 -10.203 -1.512 3.130 1.00 0.00 H new ATOM 0 HB3 SER A 10 -9.288 -1.629 4.620 1.00 0.00 H new ATOM 0 HG SER A 10 -10.597 0.279 4.541 1.00 0.00 H new ATOM 149 N ILE A 11 -7.056 -3.266 2.890 1.00 0.00 N ATOM 150 CA ILE A 11 -6.781 -4.621 2.430 1.00 0.00 C ATOM 151 C ILE A 11 -6.279 -5.472 3.590 1.00 0.00 C ATOM 152 O ILE A 11 -5.588 -4.974 4.478 1.00 0.00 O ATOM 153 CB ILE A 11 -5.732 -4.636 1.296 1.00 0.00 C ATOM 154 CG1 ILE A 11 -5.284 -6.066 0.982 1.00 0.00 C ATOM 155 CG2 ILE A 11 -4.537 -3.772 1.670 1.00 0.00 C ATOM 156 CD1 ILE A 11 -6.304 -6.861 0.197 1.00 0.00 C ATOM 0 H ILE A 11 -6.523 -2.991 3.715 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.712 -5.032 2.040 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.194 -4.223 0.399 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -4.352 -6.030 0.419 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -5.072 -6.585 1.917 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.806 -3.792 0.862 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.867 -2.746 1.835 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -4.080 -4.158 2.582 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.919 -7.864 0.011 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.230 -6.928 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.499 -6.365 -0.754 1.00 0.00 H new ATOM 168 N SER A 12 -6.630 -6.754 3.586 1.00 0.00 N ATOM 169 CA SER A 12 -6.204 -7.652 4.653 1.00 0.00 C ATOM 170 C SER A 12 -5.899 -9.044 4.123 1.00 0.00 C ATOM 171 O SER A 12 -6.657 -9.603 3.329 1.00 0.00 O ATOM 172 CB SER A 12 -7.270 -7.740 5.743 1.00 0.00 C ATOM 173 OG SER A 12 -8.392 -6.935 5.428 1.00 0.00 O ATOM 0 H SER A 12 -7.202 -7.191 2.864 1.00 0.00 H new ATOM 0 HA SER A 12 -5.289 -7.238 5.078 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.585 -8.776 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.847 -7.422 6.696 1.00 0.00 H new ATOM 0 HG SER A 12 -9.060 -7.011 6.141 1.00 0.00 H new ATOM 179 N ALA A 13 -4.785 -9.597 4.579 1.00 0.00 N ATOM 180 CA ALA A 13 -4.360 -10.923 4.176 1.00 0.00 C ATOM 181 C ALA A 13 -3.178 -11.382 5.022 1.00 0.00 C ATOM 182 O ALA A 13 -2.521 -10.574 5.682 1.00 0.00 O ATOM 183 CB ALA A 13 -3.996 -10.939 2.699 1.00 0.00 C ATOM 0 H ALA A 13 -4.154 -9.138 5.236 1.00 0.00 H new ATOM 0 HA ALA A 13 -5.187 -11.615 4.334 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -3.679 -11.942 2.413 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.865 -10.650 2.107 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.183 -10.236 2.517 1.00 0.00 H new ATOM 189 N LYS A 14 -2.903 -12.673 4.983 1.00 0.00 N ATOM 190 CA LYS A 14 -1.782 -13.233 5.726 1.00 0.00 C ATOM 191 C LYS A 14 -0.479 -12.778 5.086 1.00 0.00 C ATOM 192 O LYS A 14 -0.343 -12.800 3.866 1.00 0.00 O ATOM 193 CB LYS A 14 -1.876 -14.766 5.758 1.00 0.00 C ATOM 194 CG LYS A 14 -0.529 -15.479 5.777 1.00 0.00 C ATOM 195 CD LYS A 14 0.194 -15.262 7.093 1.00 0.00 C ATOM 196 CE LYS A 14 1.588 -15.869 7.062 1.00 0.00 C ATOM 197 NZ LYS A 14 1.546 -17.346 6.872 1.00 0.00 N ATOM 0 H LYS A 14 -3.438 -13.355 4.446 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.811 -12.877 6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -2.444 -15.065 6.639 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.439 -15.102 4.887 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.678 -16.546 5.614 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.089 -15.115 4.956 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.264 -14.194 7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.381 -15.707 7.905 1.00 0.00 H new ATOM 0 HE2 LYS A 14 2.164 -15.415 6.255 1.00 0.00 H new ATOM 0 HE3 LYS A 14 2.106 -15.637 7.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 2.498 -17.741 7.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.895 -17.767 7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 1.216 -17.563 5.910 1.00 0.00 H new ATOM 211 N ALA A 15 0.471 -12.344 5.896 1.00 0.00 N ATOM 212 CA ALA A 15 1.734 -11.877 5.353 1.00 0.00 C ATOM 213 C ALA A 15 2.341 -12.920 4.441 1.00 0.00 C ATOM 214 O ALA A 15 2.903 -13.921 4.885 1.00 0.00 O ATOM 215 CB ALA A 15 2.704 -11.477 6.456 1.00 0.00 C ATOM 0 H ALA A 15 0.395 -12.305 6.912 1.00 0.00 H new ATOM 0 HA ALA A 15 1.533 -10.984 4.762 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.638 -11.133 6.012 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.268 -10.675 7.051 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.902 -12.337 7.096 1.00 0.00 H new ATOM 221 N GLY A 16 2.189 -12.669 3.157 1.00 0.00 N ATOM 222 CA GLY A 16 2.683 -13.567 2.148 1.00 0.00 C ATOM 223 C GLY A 16 1.645 -13.767 1.073 1.00 0.00 C ATOM 224 O GLY A 16 1.962 -13.821 -0.107 1.00 0.00 O ATOM 0 H GLY A 16 1.721 -11.840 2.791 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.597 -13.166 1.710 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.939 -14.526 2.599 1.00 0.00 H new ATOM 228 N SER A 17 0.384 -13.823 1.481 1.00 0.00 N ATOM 229 CA SER A 17 -0.699 -13.982 0.548 1.00 0.00 C ATOM 230 C SER A 17 -0.867 -12.716 -0.277 1.00 0.00 C ATOM 231 O SER A 17 -1.851 -12.545 -0.996 1.00 0.00 O ATOM 232 CB SER A 17 -1.978 -14.280 1.316 1.00 0.00 C ATOM 233 OG SER A 17 -1.787 -14.163 2.714 1.00 0.00 O ATOM 0 H SER A 17 0.096 -13.759 2.457 1.00 0.00 H new ATOM 0 HA SER A 17 -0.480 -14.809 -0.128 1.00 0.00 H new ATOM 0 HB2 SER A 17 -2.763 -13.594 0.997 1.00 0.00 H new ATOM 0 HB3 SER A 17 -2.319 -15.287 1.078 1.00 0.00 H new ATOM 0 HG SER A 17 -1.551 -13.238 2.936 1.00 0.00 H new ATOM 239 N PHE A 18 0.103 -11.828 -0.162 1.00 0.00 N ATOM 240 CA PHE A 18 0.082 -10.578 -0.869 1.00 0.00 C ATOM 241 C PHE A 18 0.901 -10.665 -2.141 1.00 0.00 C ATOM 242 O PHE A 18 2.028 -10.179 -2.198 1.00 0.00 O ATOM 243 CB PHE A 18 0.646 -9.504 0.032 1.00 0.00 C ATOM 244 CG PHE A 18 -0.259 -9.129 1.163 1.00 0.00 C ATOM 245 CD1 PHE A 18 -1.405 -8.388 0.933 1.00 0.00 C ATOM 246 CD2 PHE A 18 0.030 -9.526 2.458 1.00 0.00 C ATOM 247 CE1 PHE A 18 -2.242 -8.044 1.979 1.00 0.00 C ATOM 248 CE2 PHE A 18 -0.799 -9.188 3.502 1.00 0.00 C ATOM 249 CZ PHE A 18 -1.937 -8.446 3.264 1.00 0.00 C ATOM 0 H PHE A 18 0.925 -11.961 0.427 1.00 0.00 H new ATOM 0 HA PHE A 18 -0.945 -10.338 -1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 18 1.598 -9.846 0.438 1.00 0.00 H new ATOM 0 HB3 PHE A 18 0.855 -8.616 -0.564 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -1.648 -8.076 -0.072 1.00 0.00 H new ATOM 0 HD2 PHE A 18 0.919 -10.109 2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -3.132 -7.462 1.791 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -0.559 -9.503 4.507 1.00 0.00 H new ATOM 0 HZ PHE A 18 -2.589 -8.180 4.083 1.00 0.00 H new ATOM 259 N ALA A 19 0.329 -11.279 -3.156 1.00 0.00 N ATOM 260 CA ALA A 19 1.016 -11.422 -4.430 1.00 0.00 C ATOM 261 C ALA A 19 1.159 -10.065 -5.104 1.00 0.00 C ATOM 262 O ALA A 19 0.439 -9.125 -4.762 1.00 0.00 O ATOM 263 CB ALA A 19 0.265 -12.391 -5.333 1.00 0.00 C ATOM 0 H ALA A 19 -0.606 -11.687 -3.128 1.00 0.00 H new ATOM 0 HA ALA A 19 2.012 -11.826 -4.247 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.792 -12.487 -6.282 1.00 0.00 H new ATOM 0 HB2 ALA A 19 0.206 -13.367 -4.851 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -0.742 -12.014 -5.514 1.00 0.00 H new ATOM 269 N ASP A 20 2.093 -9.959 -6.048 1.00 0.00 N ATOM 270 CA ASP A 20 2.329 -8.700 -6.753 1.00 0.00 C ATOM 271 C ASP A 20 1.022 -7.938 -6.942 1.00 0.00 C ATOM 272 O ASP A 20 0.117 -8.406 -7.635 1.00 0.00 O ATOM 273 CB ASP A 20 2.982 -8.966 -8.110 1.00 0.00 C ATOM 274 CG ASP A 20 3.152 -7.700 -8.927 1.00 0.00 C ATOM 275 OD1 ASP A 20 2.130 -7.132 -9.366 1.00 0.00 O ATOM 276 OD2 ASP A 20 4.311 -7.276 -9.130 1.00 0.00 O ATOM 0 H ASP A 20 2.697 -10.727 -6.342 1.00 0.00 H new ATOM 0 HA ASP A 20 3.003 -8.091 -6.151 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.956 -9.430 -7.957 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.375 -9.678 -8.669 1.00 0.00 H new ATOM 281 N THR A 21 0.915 -6.775 -6.307 1.00 0.00 N ATOM 282 CA THR A 21 -0.302 -5.978 -6.404 1.00 0.00 C ATOM 283 C THR A 21 -0.047 -4.641 -7.082 1.00 0.00 C ATOM 284 O THR A 21 0.596 -3.768 -6.517 1.00 0.00 O ATOM 285 CB THR A 21 -0.894 -5.751 -5.011 1.00 0.00 C ATOM 286 OG1 THR A 21 -0.762 -6.913 -4.213 1.00 0.00 O ATOM 287 CG2 THR A 21 -2.362 -5.379 -5.039 1.00 0.00 C ATOM 0 H THR A 21 1.648 -6.367 -5.726 1.00 0.00 H new ATOM 0 HA THR A 21 -1.012 -6.533 -7.017 1.00 0.00 H new ATOM 0 HB THR A 21 -0.331 -4.918 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.593 -7.688 -4.789 1.00 0.00 H new ATOM 0 HG21 THR A 21 -2.720 -5.232 -4.020 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.493 -4.457 -5.606 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.931 -6.180 -5.511 1.00 0.00 H new ATOM 295 N LYS A 22 -0.565 -4.480 -8.290 1.00 0.00 N ATOM 296 CA LYS A 22 -0.383 -3.246 -9.027 1.00 0.00 C ATOM 297 C LYS A 22 -1.161 -2.116 -8.373 1.00 0.00 C ATOM 298 O LYS A 22 -1.985 -2.333 -7.484 1.00 0.00 O ATOM 299 CB LYS A 22 -0.811 -3.394 -10.494 1.00 0.00 C ATOM 300 CG LYS A 22 -1.442 -4.736 -10.837 1.00 0.00 C ATOM 301 CD LYS A 22 -1.843 -4.803 -12.302 1.00 0.00 C ATOM 302 CE LYS A 22 -1.746 -6.222 -12.841 1.00 0.00 C ATOM 303 NZ LYS A 22 -0.441 -6.854 -12.512 1.00 0.00 N ATOM 0 H LYS A 22 -1.113 -5.189 -8.777 1.00 0.00 H new ATOM 0 HA LYS A 22 0.681 -3.008 -9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.520 -2.602 -10.734 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.061 -3.244 -11.130 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.738 -5.538 -10.614 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -2.319 -4.898 -10.210 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.863 -4.437 -12.418 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -1.200 -4.145 -12.887 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -2.555 -6.823 -12.426 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.880 -6.209 -13.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -0.190 -7.538 -13.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.295 -6.121 -12.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.514 -7.345 -11.598 1.00 0.00 H new ATOM 317 N ILE A 23 -0.875 -0.908 -8.817 1.00 0.00 N ATOM 318 CA ILE A 23 -1.516 0.280 -8.289 1.00 0.00 C ATOM 319 C ILE A 23 -1.493 1.419 -9.303 1.00 0.00 C ATOM 320 O ILE A 23 -0.592 1.508 -10.135 1.00 0.00 O ATOM 321 CB ILE A 23 -0.833 0.728 -6.983 1.00 0.00 C ATOM 322 CG1 ILE A 23 -1.573 0.126 -5.784 1.00 0.00 C ATOM 323 CG2 ILE A 23 -0.759 2.252 -6.887 1.00 0.00 C ATOM 324 CD1 ILE A 23 -1.426 0.914 -4.498 1.00 0.00 C ATOM 0 H ILE A 23 -0.193 -0.723 -9.553 1.00 0.00 H new ATOM 0 HA ILE A 23 -2.556 0.028 -8.080 1.00 0.00 H new ATOM 0 HB ILE A 23 0.194 0.362 -6.980 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.632 0.047 -6.029 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.208 -0.888 -5.619 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -0.272 2.535 -5.954 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.186 2.642 -7.728 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -1.766 2.667 -6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -1.981 0.418 -3.702 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -0.372 0.971 -4.225 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.819 1.921 -4.641 1.00 0.00 H new ATOM 336 N THR A 24 -2.491 2.296 -9.220 1.00 0.00 N ATOM 337 CA THR A 24 -2.586 3.435 -10.123 1.00 0.00 C ATOM 338 C THR A 24 -2.705 4.736 -9.336 1.00 0.00 C ATOM 339 O THR A 24 -3.790 5.102 -8.883 1.00 0.00 O ATOM 340 CB THR A 24 -3.788 3.275 -11.056 1.00 0.00 C ATOM 341 OG1 THR A 24 -3.800 1.989 -11.645 1.00 0.00 O ATOM 342 CG2 THR A 24 -3.816 4.294 -12.177 1.00 0.00 C ATOM 0 H THR A 24 -3.245 2.237 -8.535 1.00 0.00 H new ATOM 0 HA THR A 24 -1.676 3.473 -10.722 1.00 0.00 H new ATOM 0 HB THR A 24 -4.664 3.427 -10.425 1.00 0.00 H new ATOM 0 HG1 THR A 24 -3.064 1.917 -12.288 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.693 4.124 -12.801 1.00 0.00 H new ATOM 0 HG22 THR A 24 -3.860 5.298 -11.755 1.00 0.00 H new ATOM 0 HG23 THR A 24 -2.915 4.194 -12.782 1.00 0.00 H new ATOM 350 N LEU A 25 -1.584 5.430 -9.178 1.00 0.00 N ATOM 351 CA LEU A 25 -1.556 6.685 -8.450 1.00 0.00 C ATOM 352 C LEU A 25 -1.984 7.840 -9.348 1.00 0.00 C ATOM 353 O LEU A 25 -1.191 8.352 -10.136 1.00 0.00 O ATOM 354 CB LEU A 25 -0.147 6.918 -7.916 1.00 0.00 C ATOM 355 CG LEU A 25 0.021 6.655 -6.421 1.00 0.00 C ATOM 356 CD1 LEU A 25 1.472 6.835 -6.008 1.00 0.00 C ATOM 357 CD2 LEU A 25 -0.884 7.569 -5.611 1.00 0.00 C ATOM 0 H LEU A 25 -0.679 5.139 -9.548 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.258 6.634 -7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.545 6.278 -8.464 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.140 7.949 -8.124 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.268 5.623 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.573 6.644 -4.940 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.098 6.136 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.788 7.855 -6.225 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.749 7.366 -4.549 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.629 8.609 -5.817 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.923 7.389 -5.886 1.00 0.00 H new ATOM 369 N THR A 26 -3.247 8.241 -9.221 1.00 0.00 N ATOM 370 CA THR A 26 -3.791 9.333 -10.025 1.00 0.00 C ATOM 371 C THR A 26 -3.176 10.664 -9.608 1.00 0.00 C ATOM 372 O THR A 26 -3.451 11.169 -8.513 1.00 0.00 O ATOM 373 CB THR A 26 -5.309 9.390 -9.876 1.00 0.00 C ATOM 374 OG1 THR A 26 -5.913 8.238 -10.437 1.00 0.00 O ATOM 375 CG2 THR A 26 -5.933 10.604 -10.533 1.00 0.00 C ATOM 0 H THR A 26 -3.913 7.826 -8.569 1.00 0.00 H new ATOM 0 HA THR A 26 -3.543 9.148 -11.070 1.00 0.00 H new ATOM 0 HB THR A 26 -5.490 9.447 -8.803 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.733 8.495 -10.909 1.00 0.00 H new ATOM 0 HG21 THR A 26 -7.013 10.581 -10.389 1.00 0.00 H new ATOM 0 HG22 THR A 26 -5.526 11.510 -10.084 1.00 0.00 H new ATOM 0 HG23 THR A 26 -5.709 10.596 -11.600 1.00 0.00 H new ATOM 383 N PRO A 27 -2.327 11.236 -10.482 1.00 0.00 N ATOM 384 CA PRO A 27 -1.630 12.502 -10.243 1.00 0.00 C ATOM 385 C PRO A 27 -2.354 13.703 -10.831 1.00 0.00 C ATOM 386 O PRO A 27 -1.842 14.810 -10.783 1.00 0.00 O ATOM 387 CB PRO A 27 -0.350 12.270 -11.017 1.00 0.00 C ATOM 388 CG PRO A 27 -0.828 11.584 -12.248 1.00 0.00 C ATOM 389 CD PRO A 27 -1.951 10.681 -11.798 1.00 0.00 C ATOM 0 HA PRO A 27 -1.524 12.730 -9.182 1.00 0.00 H new ATOM 0 HB2 PRO A 27 0.159 13.206 -11.247 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.354 11.654 -10.458 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -1.177 12.304 -12.988 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -0.026 11.011 -12.714 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -2.787 10.701 -12.497 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -1.626 9.644 -11.719 1.00 0.00 H new ATOM 397 N ASN A 28 -3.518 13.437 -11.410 1.00 0.00 N ATOM 398 CA ASN A 28 -4.358 14.419 -12.070 1.00 0.00 C ATOM 399 C ASN A 28 -4.342 15.740 -11.335 1.00 0.00 C ATOM 400 O ASN A 28 -5.332 16.182 -10.755 1.00 0.00 O ATOM 401 CB ASN A 28 -5.794 13.902 -12.176 1.00 0.00 C ATOM 402 CG ASN A 28 -6.473 14.338 -13.460 1.00 0.00 C ATOM 403 OD1 ASN A 28 -6.649 13.544 -14.383 1.00 0.00 O ATOM 404 ND2 ASN A 28 -6.859 15.606 -13.520 1.00 0.00 N ATOM 0 H ASN A 28 -3.914 12.497 -11.432 1.00 0.00 H new ATOM 0 HA ASN A 28 -3.957 14.581 -13.071 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -5.790 12.813 -12.122 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -6.370 14.261 -11.323 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.323 15.959 -14.357 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -6.692 16.228 -12.729 1.00 0.00 H new ATOM 411 N GLY A 29 -3.182 16.342 -11.387 1.00 0.00 N ATOM 412 CA GLY A 29 -2.952 17.623 -10.746 1.00 0.00 C ATOM 413 C GLY A 29 -2.006 17.519 -9.564 1.00 0.00 C ATOM 414 O GLY A 29 -1.350 18.491 -9.191 1.00 0.00 O ATOM 0 H GLY A 29 -2.368 15.964 -11.872 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -2.542 18.322 -11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -3.904 18.034 -10.410 1.00 0.00 H new ATOM 418 N ASN A 30 -1.942 16.331 -8.984 1.00 0.00 N ATOM 419 CA ASN A 30 -1.083 16.065 -7.840 1.00 0.00 C ATOM 420 C ASN A 30 0.164 15.302 -8.262 1.00 0.00 C ATOM 421 O ASN A 30 0.266 14.828 -9.392 1.00 0.00 O ATOM 422 CB ASN A 30 -1.843 15.256 -6.791 1.00 0.00 C ATOM 423 CG ASN A 30 -3.349 15.360 -6.942 1.00 0.00 C ATOM 424 OD1 ASN A 30 -4.011 16.048 -6.169 1.00 0.00 O ATOM 425 ND2 ASN A 30 -3.895 14.678 -7.940 1.00 0.00 N ATOM 0 H ASN A 30 -2.484 15.524 -9.293 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.780 17.022 -7.415 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.547 14.209 -6.862 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.558 15.601 -5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.903 14.712 -8.090 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.306 14.119 -8.558 1.00 0.00 H new ATOM 432 N THR A 31 1.107 15.188 -7.337 1.00 0.00 N ATOM 433 CA THR A 31 2.354 14.483 -7.593 1.00 0.00 C ATOM 434 C THR A 31 2.605 13.427 -6.520 1.00 0.00 C ATOM 435 O THR A 31 1.977 13.442 -5.464 1.00 0.00 O ATOM 436 CB THR A 31 3.521 15.467 -7.642 1.00 0.00 C ATOM 437 OG1 THR A 31 4.743 14.785 -7.875 1.00 0.00 O ATOM 438 CG2 THR A 31 3.683 16.271 -6.372 1.00 0.00 C ATOM 0 H THR A 31 1.030 15.577 -6.397 1.00 0.00 H new ATOM 0 HA THR A 31 2.272 13.985 -8.559 1.00 0.00 H new ATOM 0 HB THR A 31 3.285 16.151 -8.458 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.478 15.432 -7.905 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.530 16.949 -6.476 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.777 16.848 -6.188 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.859 15.596 -5.534 1.00 0.00 H new ATOM 446 N PHE A 32 3.525 12.515 -6.805 1.00 0.00 N ATOM 447 CA PHE A 32 3.865 11.446 -5.868 1.00 0.00 C ATOM 448 C PHE A 32 5.330 11.533 -5.454 1.00 0.00 C ATOM 449 O PHE A 32 6.198 11.843 -6.271 1.00 0.00 O ATOM 450 CB PHE A 32 3.582 10.082 -6.498 1.00 0.00 C ATOM 451 CG PHE A 32 3.982 8.920 -5.631 1.00 0.00 C ATOM 452 CD1 PHE A 32 3.789 8.955 -4.263 1.00 0.00 C ATOM 453 CD2 PHE A 32 4.558 7.793 -6.197 1.00 0.00 C ATOM 454 CE1 PHE A 32 4.161 7.887 -3.471 1.00 0.00 C ATOM 455 CE2 PHE A 32 4.933 6.722 -5.412 1.00 0.00 C ATOM 456 CZ PHE A 32 4.734 6.769 -4.047 1.00 0.00 C ATOM 0 H PHE A 32 4.051 12.492 -7.678 1.00 0.00 H new ATOM 0 HA PHE A 32 3.247 11.564 -4.978 1.00 0.00 H new ATOM 0 HB2 PHE A 32 2.517 10.008 -6.720 1.00 0.00 H new ATOM 0 HB3 PHE A 32 4.111 10.014 -7.448 1.00 0.00 H new ATOM 0 HD1 PHE A 32 3.342 9.827 -3.809 1.00 0.00 H new ATOM 0 HD2 PHE A 32 4.715 7.753 -7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.004 7.925 -2.403 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.381 5.850 -5.864 1.00 0.00 H new ATOM 0 HZ PHE A 32 5.026 5.933 -3.429 1.00 0.00 H new ATOM 466 N ASN A 33 5.599 11.257 -4.184 1.00 0.00 N ATOM 467 CA ASN A 33 6.961 11.306 -3.662 1.00 0.00 C ATOM 468 C ASN A 33 7.436 9.917 -3.238 1.00 0.00 C ATOM 469 O ASN A 33 8.534 9.493 -3.596 1.00 0.00 O ATOM 470 CB ASN A 33 7.043 12.268 -2.476 1.00 0.00 C ATOM 471 CG ASN A 33 8.261 13.166 -2.541 1.00 0.00 C ATOM 472 OD1 ASN A 33 9.259 12.927 -1.861 1.00 0.00 O ATOM 473 ND2 ASN A 33 8.187 14.206 -3.363 1.00 0.00 N ATOM 0 H ASN A 33 4.893 10.997 -3.496 1.00 0.00 H new ATOM 0 HA ASN A 33 7.613 11.665 -4.459 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.143 12.883 -2.448 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.067 11.695 -1.549 1.00 0.00 H new ATOM 0 HD21 ASN A 33 8.977 14.845 -3.450 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.340 14.366 -3.908 1.00 0.00 H new ATOM 480 N GLY A 34 6.604 9.219 -2.473 1.00 0.00 N ATOM 481 CA GLY A 34 6.958 7.889 -2.011 1.00 0.00 C ATOM 482 C GLY A 34 6.232 7.511 -0.735 1.00 0.00 C ATOM 483 O GLY A 34 5.749 8.378 -0.009 1.00 0.00 O ATOM 0 H GLY A 34 5.690 9.550 -2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 34 6.723 7.162 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.034 7.840 -1.843 1.00 0.00 H new ATOM 487 N ILE A 35 6.156 6.211 -0.457 1.00 0.00 N ATOM 488 CA ILE A 35 5.483 5.735 0.740 1.00 0.00 C ATOM 489 C ILE A 35 6.465 5.506 1.872 1.00 0.00 C ATOM 490 O ILE A 35 7.119 4.464 1.950 1.00 0.00 O ATOM 491 CB ILE A 35 4.726 4.426 0.497 1.00 0.00 C ATOM 492 CG1 ILE A 35 3.997 4.474 -0.836 1.00 0.00 C ATOM 493 CG2 ILE A 35 3.750 4.161 1.634 1.00 0.00 C ATOM 494 CD1 ILE A 35 3.062 3.310 -1.054 1.00 0.00 C ATOM 0 H ILE A 35 6.551 5.476 -1.043 1.00 0.00 H new ATOM 0 HA ILE A 35 4.773 6.516 1.011 1.00 0.00 H new ATOM 0 HB ILE A 35 5.446 3.608 0.464 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.429 5.402 -0.897 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.731 4.496 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.219 3.227 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.298 4.086 2.573 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.033 4.980 1.696 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.576 3.410 -2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.628 2.379 -1.026 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.305 3.299 -0.269 1.00 0.00 H new ATOM 506 N SER A 36 6.537 6.470 2.770 1.00 0.00 N ATOM 507 CA SER A 36 7.423 6.358 3.923 1.00 0.00 C ATOM 508 C SER A 36 6.891 5.291 4.849 1.00 0.00 C ATOM 509 O SER A 36 7.642 4.642 5.576 1.00 0.00 O ATOM 510 CB SER A 36 7.549 7.697 4.653 1.00 0.00 C ATOM 511 OG SER A 36 8.231 7.544 5.887 1.00 0.00 O ATOM 0 H SER A 36 5.999 7.335 2.728 1.00 0.00 H new ATOM 0 HA SER A 36 8.420 6.080 3.582 1.00 0.00 H new ATOM 0 HB2 SER A 36 8.084 8.409 4.024 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.557 8.112 4.831 1.00 0.00 H new ATOM 0 HG SER A 36 8.300 8.414 6.333 1.00 0.00 H new ATOM 517 N GLU A 37 5.588 5.075 4.772 1.00 0.00 N ATOM 518 CA GLU A 37 4.942 4.046 5.547 1.00 0.00 C ATOM 519 C GLU A 37 5.664 2.737 5.278 1.00 0.00 C ATOM 520 O GLU A 37 5.677 1.823 6.104 1.00 0.00 O ATOM 521 CB GLU A 37 3.487 3.950 5.105 1.00 0.00 C ATOM 522 CG GLU A 37 2.500 3.738 6.232 1.00 0.00 C ATOM 523 CD GLU A 37 1.120 4.225 5.856 1.00 0.00 C ATOM 524 OE1 GLU A 37 0.818 4.260 4.641 1.00 0.00 O ATOM 525 OE2 GLU A 37 0.339 4.572 6.767 1.00 0.00 O ATOM 0 H GLU A 37 4.958 5.608 4.173 1.00 0.00 H new ATOM 0 HA GLU A 37 4.975 4.270 6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.221 4.864 4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.390 3.129 4.395 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.457 2.679 6.485 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.843 4.265 7.122 1.00 0.00 H new ATOM 532 N LEU A 38 6.271 2.675 4.093 1.00 0.00 N ATOM 533 CA LEU A 38 7.012 1.522 3.646 1.00 0.00 C ATOM 534 C LEU A 38 8.012 1.938 2.571 1.00 0.00 C ATOM 535 O LEU A 38 7.645 2.105 1.408 1.00 0.00 O ATOM 536 CB LEU A 38 6.050 0.474 3.098 1.00 0.00 C ATOM 537 CG LEU A 38 4.650 0.999 2.762 1.00 0.00 C ATOM 538 CD1 LEU A 38 4.210 0.522 1.389 1.00 0.00 C ATOM 539 CD2 LEU A 38 3.657 0.564 3.831 1.00 0.00 C ATOM 0 H LEU A 38 6.255 3.439 3.417 1.00 0.00 H new ATOM 0 HA LEU A 38 7.558 1.093 4.486 1.00 0.00 H new ATOM 0 HB2 LEU A 38 6.484 0.038 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.956 -0.329 3.829 1.00 0.00 H new ATOM 0 HG LEU A 38 4.683 2.088 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.214 0.907 1.172 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.911 0.884 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.190 -0.568 1.372 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.666 0.942 3.582 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.628 -0.525 3.880 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.965 0.962 4.798 1.00 0.00 H new ATOM 551 N GLN A 39 9.263 2.127 2.982 1.00 0.00 N ATOM 552 CA GLN A 39 10.335 2.552 2.106 1.00 0.00 C ATOM 553 C GLN A 39 10.116 2.040 0.703 1.00 0.00 C ATOM 554 O GLN A 39 10.540 0.948 0.327 1.00 0.00 O ATOM 555 CB GLN A 39 11.684 2.064 2.637 1.00 0.00 C ATOM 556 CG GLN A 39 11.907 2.377 4.107 1.00 0.00 C ATOM 557 CD GLN A 39 11.891 1.134 4.976 1.00 0.00 C ATOM 558 OE1 GLN A 39 12.764 0.273 4.866 1.00 0.00 O ATOM 559 NE2 GLN A 39 10.892 1.032 5.845 1.00 0.00 N ATOM 0 H GLN A 39 9.558 1.985 3.948 1.00 0.00 H new ATOM 0 HA GLN A 39 10.339 3.642 2.080 1.00 0.00 H new ATOM 0 HB2 GLN A 39 11.756 0.987 2.488 1.00 0.00 H new ATOM 0 HB3 GLN A 39 12.482 2.520 2.052 1.00 0.00 H new ATOM 0 HG2 GLN A 39 12.863 2.886 4.225 1.00 0.00 H new ATOM 0 HG3 GLN A 39 11.134 3.065 4.450 1.00 0.00 H new ATOM 0 HE21 GLN A 39 10.189 1.769 5.903 1.00 0.00 H new ATOM 0 HE22 GLN A 39 10.827 0.216 6.454 1.00 0.00 H new ATOM 568 N SER A 40 9.418 2.890 -0.018 1.00 0.00 N ATOM 569 CA SER A 40 9.025 2.695 -1.419 1.00 0.00 C ATOM 570 C SER A 40 9.590 1.427 -2.037 1.00 0.00 C ATOM 571 O SER A 40 8.897 0.720 -2.764 1.00 0.00 O ATOM 572 CB SER A 40 9.451 3.906 -2.253 1.00 0.00 C ATOM 573 OG SER A 40 9.142 5.117 -1.587 1.00 0.00 O ATOM 0 H SER A 40 9.089 3.778 0.362 1.00 0.00 H new ATOM 0 HA SER A 40 7.940 2.589 -1.422 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.522 3.858 -2.449 1.00 0.00 H new ATOM 0 HB3 SER A 40 8.949 3.881 -3.220 1.00 0.00 H new ATOM 0 HG SER A 40 8.247 5.417 -1.852 1.00 0.00 H new ATOM 579 N SER A 41 10.846 1.144 -1.748 1.00 0.00 N ATOM 580 CA SER A 41 11.496 -0.048 -2.281 1.00 0.00 C ATOM 581 C SER A 41 10.614 -1.282 -2.102 1.00 0.00 C ATOM 582 O SER A 41 10.794 -2.287 -2.790 1.00 0.00 O ATOM 583 CB SER A 41 12.848 -0.263 -1.597 1.00 0.00 C ATOM 584 OG SER A 41 13.141 0.787 -0.697 1.00 0.00 O ATOM 0 H SER A 41 11.439 1.719 -1.149 1.00 0.00 H new ATOM 0 HA SER A 41 11.656 0.103 -3.349 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.840 -1.212 -1.061 1.00 0.00 H new ATOM 0 HB3 SER A 41 13.633 -0.329 -2.351 1.00 0.00 H new ATOM 0 HG SER A 41 13.360 1.598 -1.201 1.00 0.00 H new ATOM 590 N GLN A 42 9.657 -1.203 -1.177 1.00 0.00 N ATOM 591 CA GLN A 42 8.749 -2.302 -0.907 1.00 0.00 C ATOM 592 C GLN A 42 7.938 -2.657 -2.151 1.00 0.00 C ATOM 593 O GLN A 42 7.567 -3.811 -2.378 1.00 0.00 O ATOM 594 CB GLN A 42 7.831 -1.892 0.239 1.00 0.00 C ATOM 595 CG GLN A 42 6.427 -1.475 -0.162 1.00 0.00 C ATOM 596 CD GLN A 42 5.414 -2.593 0.000 1.00 0.00 C ATOM 597 OE1 GLN A 42 4.249 -2.352 0.304 1.00 0.00 O ATOM 598 NE2 GLN A 42 5.853 -3.829 -0.209 1.00 0.00 N ATOM 0 H GLN A 42 9.495 -0.377 -0.600 1.00 0.00 H new ATOM 0 HA GLN A 42 9.317 -3.190 -0.628 1.00 0.00 H new ATOM 0 HB2 GLN A 42 7.758 -2.725 0.938 1.00 0.00 H new ATOM 0 HB3 GLN A 42 8.297 -1.066 0.776 1.00 0.00 H new ATOM 0 HG2 GLN A 42 6.120 -0.622 0.442 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.434 -1.144 -1.201 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.829 -3.988 -0.460 1.00 0.00 H new ATOM 0 HE22 GLN A 42 5.214 -4.619 -0.118 1.00 0.00 H new ATOM 607 N TYR A 43 7.665 -1.636 -2.935 1.00 0.00 N ATOM 608 CA TYR A 43 6.895 -1.774 -4.160 1.00 0.00 C ATOM 609 C TYR A 43 7.708 -1.341 -5.367 1.00 0.00 C ATOM 610 O TYR A 43 8.913 -1.109 -5.283 1.00 0.00 O ATOM 611 CB TYR A 43 5.615 -0.940 -4.068 1.00 0.00 C ATOM 612 CG TYR A 43 5.865 0.503 -3.725 1.00 0.00 C ATOM 613 CD1 TYR A 43 6.439 1.368 -4.651 1.00 0.00 C ATOM 614 CD2 TYR A 43 5.531 1.006 -2.476 1.00 0.00 C ATOM 615 CE1 TYR A 43 6.671 2.693 -4.339 1.00 0.00 C ATOM 616 CE2 TYR A 43 5.760 2.331 -2.158 1.00 0.00 C ATOM 617 CZ TYR A 43 6.330 3.170 -3.091 1.00 0.00 C ATOM 618 OH TYR A 43 6.561 4.491 -2.774 1.00 0.00 O ATOM 0 H TYR A 43 7.970 -0.682 -2.743 1.00 0.00 H new ATOM 0 HA TYR A 43 6.635 -2.825 -4.283 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.087 -0.993 -5.020 1.00 0.00 H new ATOM 0 HB3 TYR A 43 4.959 -1.376 -3.315 1.00 0.00 H new ATOM 0 HD1 TYR A 43 6.707 0.997 -5.629 1.00 0.00 H new ATOM 0 HD2 TYR A 43 5.085 0.352 -1.741 1.00 0.00 H new ATOM 0 HE1 TYR A 43 7.117 3.352 -5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 43 5.493 2.708 -1.182 1.00 0.00 H new ATOM 0 HH TYR A 43 6.969 4.945 -3.541 1.00 0.00 H new ATOM 628 N THR A 44 7.020 -1.232 -6.485 1.00 0.00 N ATOM 629 CA THR A 44 7.620 -0.821 -7.736 1.00 0.00 C ATOM 630 C THR A 44 6.850 0.352 -8.301 1.00 0.00 C ATOM 631 O THR A 44 5.918 0.185 -9.089 1.00 0.00 O ATOM 632 CB THR A 44 7.623 -1.978 -8.735 1.00 0.00 C ATOM 633 OG1 THR A 44 7.593 -3.225 -8.061 1.00 0.00 O ATOM 634 CG2 THR A 44 8.832 -1.980 -9.647 1.00 0.00 C ATOM 0 H THR A 44 6.021 -1.428 -6.551 1.00 0.00 H new ATOM 0 HA THR A 44 8.653 -0.524 -7.554 1.00 0.00 H new ATOM 0 HB THR A 44 6.729 -1.835 -9.342 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.726 -3.336 -7.617 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.771 -2.827 -10.330 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.857 -1.053 -10.219 1.00 0.00 H new ATOM 0 HG23 THR A 44 9.739 -2.062 -9.048 1.00 0.00 H new ATOM 642 N LYS A 45 7.234 1.541 -7.867 1.00 0.00 N ATOM 643 CA LYS A 45 6.576 2.763 -8.303 1.00 0.00 C ATOM 644 C LYS A 45 6.858 3.037 -9.772 1.00 0.00 C ATOM 645 O LYS A 45 7.779 2.474 -10.362 1.00 0.00 O ATOM 646 CB LYS A 45 7.035 3.955 -7.448 1.00 0.00 C ATOM 647 CG LYS A 45 7.099 5.278 -8.198 1.00 0.00 C ATOM 648 CD LYS A 45 7.633 6.394 -7.314 1.00 0.00 C ATOM 649 CE LYS A 45 9.017 6.842 -7.753 1.00 0.00 C ATOM 650 NZ LYS A 45 8.993 7.477 -9.100 1.00 0.00 N ATOM 0 H LYS A 45 8.001 1.687 -7.211 1.00 0.00 H new ATOM 0 HA LYS A 45 5.502 2.630 -8.177 1.00 0.00 H new ATOM 0 HB2 LYS A 45 6.356 4.063 -6.602 1.00 0.00 H new ATOM 0 HB3 LYS A 45 8.021 3.735 -7.039 1.00 0.00 H new ATOM 0 HG2 LYS A 45 7.737 5.170 -9.075 1.00 0.00 H new ATOM 0 HG3 LYS A 45 6.105 5.542 -8.558 1.00 0.00 H new ATOM 0 HD2 LYS A 45 6.949 7.242 -7.345 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.672 6.053 -6.280 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.418 7.548 -7.026 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.689 5.984 -7.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.829 8.086 -9.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.003 6.738 -9.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.131 8.050 -9.198 1.00 0.00 H new ATOM 664 N GLY A 46 6.050 3.912 -10.345 1.00 0.00 N ATOM 665 CA GLY A 46 6.197 4.271 -11.734 1.00 0.00 C ATOM 666 C GLY A 46 5.425 5.527 -12.065 1.00 0.00 C ATOM 667 O GLY A 46 4.416 5.474 -12.769 1.00 0.00 O ATOM 0 H GLY A 46 5.285 4.385 -9.864 1.00 0.00 H new ATOM 0 HA2 GLY A 46 7.252 4.420 -11.963 1.00 0.00 H new ATOM 0 HA3 GLY A 46 5.847 3.451 -12.362 1.00 0.00 H new ATOM 671 N THR A 47 5.896 6.658 -11.535 1.00 0.00 N ATOM 672 CA THR A 47 5.251 7.954 -11.760 1.00 0.00 C ATOM 673 C THR A 47 3.783 7.786 -12.137 1.00 0.00 C ATOM 674 O THR A 47 3.455 7.552 -13.302 1.00 0.00 O ATOM 675 CB THR A 47 5.987 8.724 -12.857 1.00 0.00 C ATOM 676 OG1 THR A 47 7.299 9.057 -12.443 1.00 0.00 O ATOM 677 CG2 THR A 47 5.292 10.009 -13.257 1.00 0.00 C ATOM 0 H THR A 47 6.726 6.702 -10.944 1.00 0.00 H new ATOM 0 HA THR A 47 5.298 8.518 -10.829 1.00 0.00 H new ATOM 0 HB THR A 47 6.002 8.055 -13.717 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.753 9.548 -13.159 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.867 10.505 -14.039 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.293 9.782 -13.630 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.215 10.666 -12.391 1.00 0.00 H new ATOM 685 N ASN A 48 2.907 7.894 -11.142 1.00 0.00 N ATOM 686 CA ASN A 48 1.467 7.745 -11.347 1.00 0.00 C ATOM 687 C ASN A 48 1.045 6.287 -11.197 1.00 0.00 C ATOM 688 O ASN A 48 -0.137 5.984 -11.079 1.00 0.00 O ATOM 689 CB ASN A 48 1.041 8.273 -12.719 1.00 0.00 C ATOM 690 CG ASN A 48 1.755 9.551 -13.105 1.00 0.00 C ATOM 691 OD1 ASN A 48 2.009 9.804 -14.283 1.00 0.00 O ATOM 692 ND2 ASN A 48 2.086 10.367 -12.113 1.00 0.00 N ATOM 0 H ASN A 48 3.172 8.086 -10.176 1.00 0.00 H new ATOM 0 HA ASN A 48 0.967 8.338 -10.581 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.237 7.511 -13.473 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -0.035 8.450 -12.717 1.00 0.00 H new ATOM 0 HD21 ASN A 48 2.570 11.242 -12.313 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.857 10.119 -11.151 1.00 0.00 H new ATOM 699 N GLU A 49 2.022 5.387 -11.200 1.00 0.00 N ATOM 700 CA GLU A 49 1.751 3.963 -11.056 1.00 0.00 C ATOM 701 C GLU A 49 2.615 3.355 -9.958 1.00 0.00 C ATOM 702 O GLU A 49 3.642 3.916 -9.585 1.00 0.00 O ATOM 703 CB GLU A 49 1.998 3.238 -12.378 1.00 0.00 C ATOM 704 CG GLU A 49 0.930 3.503 -13.428 1.00 0.00 C ATOM 705 CD GLU A 49 -0.049 2.359 -13.562 1.00 0.00 C ATOM 706 OE1 GLU A 49 0.393 1.213 -13.775 1.00 0.00 O ATOM 707 OE2 GLU A 49 -1.268 2.607 -13.449 1.00 0.00 O ATOM 0 H GLU A 49 3.010 5.620 -11.301 1.00 0.00 H new ATOM 0 HA GLU A 49 0.704 3.844 -10.777 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.967 3.542 -12.773 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.052 2.166 -12.190 1.00 0.00 H new ATOM 0 HG2 GLU A 49 0.388 4.412 -13.168 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.409 3.682 -14.391 1.00 0.00 H new ATOM 714 N VAL A 50 2.198 2.203 -9.444 1.00 0.00 N ATOM 715 CA VAL A 50 2.942 1.517 -8.388 1.00 0.00 C ATOM 716 C VAL A 50 2.604 0.033 -8.357 1.00 0.00 C ATOM 717 O VAL A 50 1.474 -0.351 -8.651 1.00 0.00 O ATOM 718 CB VAL A 50 2.650 2.125 -7.003 1.00 0.00 C ATOM 719 CG1 VAL A 50 3.617 1.575 -5.965 1.00 0.00 C ATOM 720 CG2 VAL A 50 2.726 3.643 -7.057 1.00 0.00 C ATOM 0 H VAL A 50 1.348 1.722 -9.740 1.00 0.00 H new ATOM 0 HA VAL A 50 4.000 1.645 -8.615 1.00 0.00 H new ATOM 0 HB VAL A 50 1.638 1.845 -6.711 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.396 2.015 -4.993 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.510 0.492 -5.906 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.639 1.823 -6.252 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.517 4.053 -6.069 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.725 3.946 -7.372 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.991 4.019 -7.769 1.00 0.00 H new ATOM 730 N THR A 51 3.582 -0.796 -8.012 1.00 0.00 N ATOM 731 CA THR A 51 3.356 -2.238 -7.963 1.00 0.00 C ATOM 732 C THR A 51 3.958 -2.878 -6.711 1.00 0.00 C ATOM 733 O THR A 51 5.176 -2.939 -6.550 1.00 0.00 O ATOM 734 CB THR A 51 3.939 -2.900 -9.213 1.00 0.00 C ATOM 735 OG1 THR A 51 3.274 -2.447 -10.377 1.00 0.00 O ATOM 736 CG2 THR A 51 3.845 -4.412 -9.189 1.00 0.00 C ATOM 0 H THR A 51 4.527 -0.502 -7.765 1.00 0.00 H new ATOM 0 HA THR A 51 2.278 -2.396 -7.926 1.00 0.00 H new ATOM 0 HB THR A 51 4.992 -2.617 -9.225 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.662 -2.881 -11.165 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.276 -4.818 -10.104 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.392 -4.797 -8.328 1.00 0.00 H new ATOM 0 HG23 THR A 51 2.799 -4.710 -9.117 1.00 0.00 H new ATOM 744 N LEU A 52 3.088 -3.380 -5.838 1.00 0.00 N ATOM 745 CA LEU A 52 3.506 -4.039 -4.613 1.00 0.00 C ATOM 746 C LEU A 52 4.181 -5.359 -4.939 1.00 0.00 C ATOM 747 O LEU A 52 3.676 -6.129 -5.756 1.00 0.00 O ATOM 748 CB LEU A 52 2.293 -4.324 -3.731 1.00 0.00 C ATOM 749 CG LEU A 52 1.667 -3.104 -3.070 1.00 0.00 C ATOM 750 CD1 LEU A 52 1.032 -2.191 -4.106 1.00 0.00 C ATOM 751 CD2 LEU A 52 0.646 -3.525 -2.026 1.00 0.00 C ATOM 0 H LEU A 52 2.077 -3.339 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 52 4.201 -3.382 -4.089 1.00 0.00 H new ATOM 0 HB2 LEU A 52 1.533 -4.819 -4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.588 -5.027 -2.952 1.00 0.00 H new ATOM 0 HG LEU A 52 2.459 -2.546 -2.569 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.592 -1.327 -3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 52 1.793 -1.855 -4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.255 -2.735 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.210 -2.639 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.141 -4.111 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.135 -4.128 -1.261 1.00 0.00 H new ATOM 763 N LEU A 53 5.319 -5.624 -4.308 1.00 0.00 N ATOM 764 CA LEU A 53 6.024 -6.864 -4.571 1.00 0.00 C ATOM 765 C LEU A 53 5.849 -7.861 -3.428 1.00 0.00 C ATOM 766 O LEU A 53 6.441 -7.718 -2.360 1.00 0.00 O ATOM 767 CB LEU A 53 7.509 -6.600 -4.823 1.00 0.00 C ATOM 768 CG LEU A 53 7.917 -6.560 -6.296 1.00 0.00 C ATOM 769 CD1 LEU A 53 8.961 -5.479 -6.532 1.00 0.00 C ATOM 770 CD2 LEU A 53 8.445 -7.919 -6.738 1.00 0.00 C ATOM 0 H LEU A 53 5.763 -5.009 -3.626 1.00 0.00 H new ATOM 0 HA LEU A 53 5.589 -7.303 -5.469 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.777 -5.650 -4.361 1.00 0.00 H new ATOM 0 HB3 LEU A 53 8.090 -7.374 -4.321 1.00 0.00 H new ATOM 0 HG LEU A 53 7.036 -6.321 -6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 53 9.239 -5.466 -7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.550 -4.509 -6.253 1.00 0.00 H new ATOM 0 HD13 LEU A 53 9.843 -5.687 -5.927 1.00 0.00 H new ATOM 0 HD21 LEU A 53 8.731 -7.874 -7.789 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.314 -8.185 -6.136 1.00 0.00 H new ATOM 0 HD23 LEU A 53 7.668 -8.672 -6.606 1.00 0.00 H new ATOM 782 N ALA A 54 5.033 -8.876 -3.676 1.00 0.00 N ATOM 783 CA ALA A 54 4.748 -9.921 -2.696 1.00 0.00 C ATOM 784 C ALA A 54 5.976 -10.329 -1.883 1.00 0.00 C ATOM 785 O ALA A 54 5.841 -10.947 -0.829 1.00 0.00 O ATOM 786 CB ALA A 54 4.168 -11.138 -3.398 1.00 0.00 C ATOM 0 H ALA A 54 4.547 -9.000 -4.564 1.00 0.00 H new ATOM 0 HA ALA A 54 4.025 -9.508 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.957 -11.915 -2.664 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.245 -10.859 -3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 54 4.885 -11.514 -4.128 1.00 0.00 H new ATOM 792 N SER A 55 7.164 -9.996 -2.364 1.00 0.00 N ATOM 793 CA SER A 55 8.391 -10.354 -1.658 1.00 0.00 C ATOM 794 C SER A 55 8.542 -9.540 -0.381 1.00 0.00 C ATOM 795 O SER A 55 8.834 -10.085 0.678 1.00 0.00 O ATOM 796 CB SER A 55 9.608 -10.151 -2.561 1.00 0.00 C ATOM 797 OG SER A 55 10.099 -8.826 -2.466 1.00 0.00 O ATOM 0 H SER A 55 7.308 -9.482 -3.233 1.00 0.00 H new ATOM 0 HA SER A 55 8.328 -11.408 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 55 10.393 -10.854 -2.282 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.338 -10.369 -3.594 1.00 0.00 H new ATOM 0 HG SER A 55 10.878 -8.723 -3.052 1.00 0.00 H new ATOM 803 N TYR A 56 8.332 -8.238 -0.495 1.00 0.00 N ATOM 804 CA TYR A 56 8.434 -7.350 0.650 1.00 0.00 C ATOM 805 C TYR A 56 7.240 -7.544 1.561 1.00 0.00 C ATOM 806 O TYR A 56 7.370 -7.867 2.749 1.00 0.00 O ATOM 807 CB TYR A 56 8.481 -5.900 0.184 1.00 0.00 C ATOM 808 CG TYR A 56 8.418 -4.897 1.311 1.00 0.00 C ATOM 809 CD1 TYR A 56 7.238 -4.667 2.007 1.00 0.00 C ATOM 810 CD2 TYR A 56 9.544 -4.167 1.672 1.00 0.00 C ATOM 811 CE1 TYR A 56 7.183 -3.738 3.029 1.00 0.00 C ATOM 812 CE2 TYR A 56 9.497 -3.239 2.695 1.00 0.00 C ATOM 813 CZ TYR A 56 8.314 -3.029 3.367 1.00 0.00 C ATOM 814 OH TYR A 56 8.261 -2.104 4.387 1.00 0.00 O ATOM 0 H TYR A 56 8.090 -7.773 -1.370 1.00 0.00 H new ATOM 0 HA TYR A 56 9.349 -7.584 1.194 1.00 0.00 H new ATOM 0 HB2 TYR A 56 9.398 -5.739 -0.382 1.00 0.00 H new ATOM 0 HB3 TYR A 56 7.650 -5.720 -0.498 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.350 -5.223 1.745 1.00 0.00 H new ATOM 0 HD2 TYR A 56 10.472 -4.328 1.144 1.00 0.00 H new ATOM 0 HE1 TYR A 56 6.258 -3.569 3.560 1.00 0.00 H new ATOM 0 HE2 TYR A 56 10.382 -2.682 2.965 1.00 0.00 H new ATOM 0 HH TYR A 56 9.143 -1.692 4.501 1.00 0.00 H new ATOM 824 N LEU A 57 6.069 -7.344 0.984 1.00 0.00 N ATOM 825 CA LEU A 57 4.836 -7.495 1.724 1.00 0.00 C ATOM 826 C LEU A 57 4.813 -8.827 2.453 1.00 0.00 C ATOM 827 O LEU A 57 4.384 -8.907 3.603 1.00 0.00 O ATOM 828 CB LEU A 57 3.634 -7.368 0.798 1.00 0.00 C ATOM 829 CG LEU A 57 2.544 -6.449 1.327 1.00 0.00 C ATOM 830 CD1 LEU A 57 3.098 -5.053 1.565 1.00 0.00 C ATOM 831 CD2 LEU A 57 1.364 -6.398 0.371 1.00 0.00 C ATOM 0 H LEU A 57 5.949 -7.077 0.007 1.00 0.00 H new ATOM 0 HA LEU A 57 4.780 -6.697 2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.971 -6.997 -0.170 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.211 -8.358 0.630 1.00 0.00 H new ATOM 0 HG LEU A 57 2.191 -6.851 2.277 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.306 -4.407 1.943 1.00 0.00 H new ATOM 0 HD12 LEU A 57 3.906 -5.102 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 57 3.480 -4.648 0.628 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.599 -5.734 0.773 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.696 -6.025 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.949 -7.399 0.251 1.00 0.00 H new ATOM 843 N ASN A 58 5.298 -9.868 1.793 1.00 0.00 N ATOM 844 CA ASN A 58 5.347 -11.179 2.414 1.00 0.00 C ATOM 845 C ASN A 58 6.320 -11.157 3.584 1.00 0.00 C ATOM 846 O ASN A 58 6.191 -11.926 4.536 1.00 0.00 O ATOM 847 CB ASN A 58 5.767 -12.247 1.400 1.00 0.00 C ATOM 848 CG ASN A 58 5.969 -13.605 2.042 1.00 0.00 C ATOM 849 OD1 ASN A 58 6.706 -13.743 3.016 1.00 0.00 O ATOM 850 ND2 ASN A 58 5.311 -14.623 1.492 1.00 0.00 N ATOM 0 H ASN A 58 5.659 -9.830 0.840 1.00 0.00 H new ATOM 0 HA ASN A 58 4.350 -11.429 2.778 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.007 -12.325 0.623 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.691 -11.938 0.912 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.409 -15.562 1.879 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.709 -14.464 0.684 1.00 0.00 H new ATOM 857 N THR A 59 7.303 -10.259 3.498 1.00 0.00 N ATOM 858 CA THR A 59 8.314 -10.121 4.537 1.00 0.00 C ATOM 859 C THR A 59 7.765 -9.370 5.742 1.00 0.00 C ATOM 860 O THR A 59 8.230 -9.563 6.866 1.00 0.00 O ATOM 861 CB THR A 59 9.548 -9.402 3.989 1.00 0.00 C ATOM 862 OG1 THR A 59 10.064 -10.083 2.859 1.00 0.00 O ATOM 863 CG2 THR A 59 10.667 -9.278 5.001 1.00 0.00 C ATOM 0 H THR A 59 7.417 -9.616 2.714 1.00 0.00 H new ATOM 0 HA THR A 59 8.600 -11.122 4.860 1.00 0.00 H new ATOM 0 HB THR A 59 9.206 -8.401 3.725 1.00 0.00 H new ATOM 0 HG1 THR A 59 9.372 -10.140 2.167 1.00 0.00 H new ATOM 0 HG21 THR A 59 11.511 -8.759 4.548 1.00 0.00 H new ATOM 0 HG22 THR A 59 10.315 -8.714 5.865 1.00 0.00 H new ATOM 0 HG23 THR A 59 10.981 -10.272 5.320 1.00 0.00 H new ATOM 871 N LEU A 60 6.778 -8.511 5.503 1.00 0.00 N ATOM 872 CA LEU A 60 6.164 -7.725 6.576 1.00 0.00 C ATOM 873 C LEU A 60 6.112 -8.520 7.882 1.00 0.00 C ATOM 874 O LEU A 60 5.952 -9.739 7.873 1.00 0.00 O ATOM 875 CB LEU A 60 4.748 -7.305 6.182 1.00 0.00 C ATOM 876 CG LEU A 60 4.626 -5.929 5.532 1.00 0.00 C ATOM 877 CD1 LEU A 60 4.545 -4.841 6.591 1.00 0.00 C ATOM 878 CD2 LEU A 60 5.796 -5.671 4.595 1.00 0.00 C ATOM 0 H LEU A 60 6.385 -8.340 4.578 1.00 0.00 H new ATOM 0 HA LEU A 60 6.778 -6.838 6.731 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.345 -8.049 5.495 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.121 -7.323 7.074 1.00 0.00 H new ATOM 0 HG LEU A 60 3.706 -5.910 4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 60 4.459 -3.868 6.107 1.00 0.00 H new ATOM 0 HD12 LEU A 60 3.673 -5.011 7.222 1.00 0.00 H new ATOM 0 HD13 LEU A 60 5.446 -4.862 7.204 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.689 -4.685 4.142 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.729 -5.713 5.157 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.810 -6.430 3.813 1.00 0.00 H new ATOM 890 N PRO A 61 6.261 -7.831 9.025 1.00 0.00 N ATOM 891 CA PRO A 61 6.243 -8.469 10.348 1.00 0.00 C ATOM 892 C PRO A 61 4.950 -9.238 10.617 1.00 0.00 C ATOM 893 O PRO A 61 4.047 -9.271 9.781 1.00 0.00 O ATOM 894 CB PRO A 61 6.372 -7.294 11.320 1.00 0.00 C ATOM 895 CG PRO A 61 6.982 -6.196 10.520 1.00 0.00 C ATOM 896 CD PRO A 61 6.469 -6.376 9.120 1.00 0.00 C ATOM 0 HA PRO A 61 7.037 -9.210 10.443 1.00 0.00 H new ATOM 0 HB2 PRO A 61 5.400 -7.001 11.716 1.00 0.00 H new ATOM 0 HB3 PRO A 61 6.998 -7.555 12.173 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.701 -5.220 10.917 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.070 -6.250 10.548 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.543 -5.825 8.956 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.186 -6.022 8.379 1.00 0.00 H new ATOM 904 N GLU A 62 4.878 -9.850 11.794 1.00 0.00 N ATOM 905 CA GLU A 62 3.715 -10.619 12.201 1.00 0.00 C ATOM 906 C GLU A 62 2.446 -9.796 12.115 1.00 0.00 C ATOM 907 O GLU A 62 2.426 -8.734 11.501 1.00 0.00 O ATOM 908 CB GLU A 62 3.921 -11.134 13.628 1.00 0.00 C ATOM 909 CG GLU A 62 4.905 -12.285 13.715 1.00 0.00 C ATOM 910 CD GLU A 62 6.320 -11.821 14.000 1.00 0.00 C ATOM 911 OE1 GLU A 62 6.861 -11.034 13.196 1.00 0.00 O ATOM 912 OE2 GLU A 62 6.889 -12.248 15.027 1.00 0.00 O ATOM 0 H GLU A 62 5.624 -9.825 12.489 1.00 0.00 H new ATOM 0 HA GLU A 62 3.603 -11.462 11.519 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.274 -10.315 14.255 1.00 0.00 H new ATOM 0 HB3 GLU A 62 2.961 -11.454 14.033 1.00 0.00 H new ATOM 0 HG2 GLU A 62 4.587 -12.972 14.499 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.891 -12.842 12.778 1.00 0.00 H new ATOM 919 N ASN A 63 1.388 -10.322 12.718 1.00 0.00 N ATOM 920 CA ASN A 63 0.086 -9.691 12.716 1.00 0.00 C ATOM 921 C ASN A 63 0.194 -8.177 12.847 1.00 0.00 C ATOM 922 O ASN A 63 -0.107 -7.608 13.895 1.00 0.00 O ATOM 923 CB ASN A 63 -0.764 -10.249 13.854 1.00 0.00 C ATOM 924 CG ASN A 63 -0.044 -10.207 15.189 1.00 0.00 C ATOM 925 OD1 ASN A 63 0.652 -11.148 15.559 1.00 0.00 O ATOM 926 ND2 ASN A 63 -0.213 -9.110 15.919 1.00 0.00 N ATOM 0 H ASN A 63 1.415 -11.207 13.225 1.00 0.00 H new ATOM 0 HA ASN A 63 -0.389 -9.911 11.760 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -1.690 -9.678 13.926 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -1.041 -11.278 13.626 1.00 0.00 H new ATOM 0 HD21 ASN A 63 0.245 -9.026 16.826 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -0.801 -8.352 15.572 1.00 0.00 H new ATOM 933 N THR A 64 0.640 -7.534 11.776 1.00 0.00 N ATOM 934 CA THR A 64 0.801 -6.086 11.761 1.00 0.00 C ATOM 935 C THR A 64 -0.178 -5.437 10.797 1.00 0.00 C ATOM 936 O THR A 64 -0.760 -6.106 9.943 1.00 0.00 O ATOM 937 CB THR A 64 2.234 -5.714 11.372 1.00 0.00 C ATOM 938 OG1 THR A 64 2.641 -6.429 10.220 1.00 0.00 O ATOM 939 CG2 THR A 64 3.242 -5.991 12.466 1.00 0.00 C ATOM 0 H THR A 64 0.898 -7.994 10.903 1.00 0.00 H new ATOM 0 HA THR A 64 0.594 -5.716 12.765 1.00 0.00 H new ATOM 0 HB THR A 64 2.214 -4.641 11.184 1.00 0.00 H new ATOM 0 HG1 THR A 64 2.871 -7.348 10.470 1.00 0.00 H new ATOM 0 HG21 THR A 64 4.237 -5.705 12.125 1.00 0.00 H new ATOM 0 HG22 THR A 64 2.983 -5.414 13.354 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.233 -7.054 12.708 1.00 0.00 H new ATOM 947 N THR A 65 -0.364 -4.129 10.942 1.00 0.00 N ATOM 948 CA THR A 65 -1.281 -3.389 10.086 1.00 0.00 C ATOM 949 C THR A 65 -0.525 -2.440 9.166 1.00 0.00 C ATOM 950 O THR A 65 -0.443 -1.239 9.428 1.00 0.00 O ATOM 951 CB THR A 65 -2.265 -2.598 10.934 1.00 0.00 C ATOM 952 OG1 THR A 65 -2.405 -3.178 12.218 1.00 0.00 O ATOM 953 CG2 THR A 65 -3.646 -2.498 10.317 1.00 0.00 C ATOM 0 H THR A 65 0.109 -3.561 11.645 1.00 0.00 H new ATOM 0 HA THR A 65 -1.824 -4.109 9.473 1.00 0.00 H new ATOM 0 HB THR A 65 -1.844 -1.595 11.001 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.041 -2.652 12.747 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.297 -1.921 10.974 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.577 -2.003 9.348 1.00 0.00 H new ATOM 0 HG23 THR A 65 -4.059 -3.498 10.184 1.00 0.00 H new ATOM 961 N LYS A 66 0.009 -2.981 8.086 1.00 0.00 N ATOM 962 CA LYS A 66 0.742 -2.189 7.113 1.00 0.00 C ATOM 963 C LYS A 66 -0.190 -1.197 6.435 1.00 0.00 C ATOM 964 O LYS A 66 -1.400 -1.404 6.405 1.00 0.00 O ATOM 965 CB LYS A 66 1.391 -3.109 6.074 1.00 0.00 C ATOM 966 CG LYS A 66 2.330 -2.398 5.110 1.00 0.00 C ATOM 967 CD LYS A 66 1.809 -2.462 3.683 1.00 0.00 C ATOM 968 CE LYS A 66 2.906 -2.216 2.662 1.00 0.00 C ATOM 969 NZ LYS A 66 4.227 -2.720 3.124 1.00 0.00 N ATOM 0 H LYS A 66 -0.052 -3.974 7.859 1.00 0.00 H new ATOM 0 HA LYS A 66 1.526 -1.632 7.626 1.00 0.00 H new ATOM 0 HB2 LYS A 66 1.945 -3.891 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.606 -3.602 5.501 1.00 0.00 H new ATOM 0 HG2 LYS A 66 2.444 -1.357 5.411 1.00 0.00 H new ATOM 0 HG3 LYS A 66 3.319 -2.854 5.159 1.00 0.00 H new ATOM 0 HD2 LYS A 66 1.361 -3.440 3.505 1.00 0.00 H new ATOM 0 HD3 LYS A 66 1.020 -1.721 3.552 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.642 -2.702 1.723 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.978 -1.148 2.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.839 -2.895 2.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.672 -2.012 3.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.095 -3.606 3.652 1.00 0.00 H new ATOM 983 N THR A 67 0.361 -0.115 5.906 1.00 0.00 N ATOM 984 CA THR A 67 -0.432 0.896 5.238 1.00 0.00 C ATOM 985 C THR A 67 0.363 1.546 4.114 1.00 0.00 C ATOM 986 O THR A 67 1.495 1.980 4.317 1.00 0.00 O ATOM 987 CB THR A 67 -0.871 1.947 6.249 1.00 0.00 C ATOM 988 OG1 THR A 67 -1.706 1.371 7.238 1.00 0.00 O ATOM 989 CG2 THR A 67 -1.622 3.105 5.629 1.00 0.00 C ATOM 0 H THR A 67 1.361 0.083 5.929 1.00 0.00 H new ATOM 0 HA THR A 67 -1.313 0.424 4.802 1.00 0.00 H new ATOM 0 HB THR A 67 0.052 2.331 6.684 1.00 0.00 H new ATOM 0 HG1 THR A 67 -1.977 2.061 7.880 1.00 0.00 H new ATOM 0 HG21 THR A 67 -1.904 3.814 6.407 1.00 0.00 H new ATOM 0 HG22 THR A 67 -0.985 3.602 4.898 1.00 0.00 H new ATOM 0 HG23 THR A 67 -2.520 2.734 5.135 1.00 0.00 H new ATOM 997 N LEU A 68 -0.223 1.594 2.927 1.00 0.00 N ATOM 998 CA LEU A 68 0.435 2.173 1.765 1.00 0.00 C ATOM 999 C LEU A 68 0.001 3.618 1.546 1.00 0.00 C ATOM 1000 O LEU A 68 -0.977 3.881 0.850 1.00 0.00 O ATOM 1001 CB LEU A 68 0.133 1.322 0.524 1.00 0.00 C ATOM 1002 CG LEU A 68 0.272 2.037 -0.817 1.00 0.00 C ATOM 1003 CD1 LEU A 68 1.196 1.256 -1.738 1.00 0.00 C ATOM 1004 CD2 LEU A 68 -1.085 2.220 -1.471 1.00 0.00 C ATOM 0 H LEU A 68 -1.160 1.236 2.743 1.00 0.00 H new ATOM 0 HA LEU A 68 1.510 2.178 1.942 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.800 0.460 0.526 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -0.884 0.939 0.607 1.00 0.00 H new ATOM 0 HG LEU A 68 0.704 3.022 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 68 1.286 1.778 -2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 68 2.180 1.169 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 68 0.785 0.261 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -0.963 2.732 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.543 1.245 -1.638 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.725 2.815 -0.820 1.00 0.00 H new ATOM 1016 N THR A 69 0.732 4.556 2.144 1.00 0.00 N ATOM 1017 CA THR A 69 0.409 5.972 2.008 1.00 0.00 C ATOM 1018 C THR A 69 1.389 6.675 1.065 1.00 0.00 C ATOM 1019 O THR A 69 2.503 7.019 1.459 1.00 0.00 O ATOM 1020 CB THR A 69 0.439 6.656 3.374 1.00 0.00 C ATOM 1021 OG1 THR A 69 -0.537 6.110 4.235 1.00 0.00 O ATOM 1022 CG2 THR A 69 0.204 8.147 3.300 1.00 0.00 C ATOM 0 H THR A 69 1.548 4.361 2.724 1.00 0.00 H new ATOM 0 HA THR A 69 -0.593 6.045 1.586 1.00 0.00 H new ATOM 0 HB THR A 69 1.443 6.480 3.760 1.00 0.00 H new ATOM 0 HG1 THR A 69 -0.454 5.134 4.246 1.00 0.00 H new ATOM 0 HG21 THR A 69 0.238 8.571 4.304 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.978 8.607 2.685 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.773 8.340 2.858 1.00 0.00 H new ATOM 1030 N PHE A 70 0.961 6.903 -0.168 1.00 0.00 N ATOM 1031 CA PHE A 70 1.789 7.581 -1.151 1.00 0.00 C ATOM 1032 C PHE A 70 1.945 9.048 -0.791 1.00 0.00 C ATOM 1033 O PHE A 70 0.961 9.781 -0.690 1.00 0.00 O ATOM 1034 CB PHE A 70 1.154 7.474 -2.543 1.00 0.00 C ATOM 1035 CG PHE A 70 1.107 6.083 -3.110 1.00 0.00 C ATOM 1036 CD1 PHE A 70 2.239 5.288 -3.137 1.00 0.00 C ATOM 1037 CD2 PHE A 70 -0.069 5.581 -3.628 1.00 0.00 C ATOM 1038 CE1 PHE A 70 2.193 4.014 -3.672 1.00 0.00 C ATOM 1039 CE2 PHE A 70 -0.123 4.307 -4.162 1.00 0.00 C ATOM 1040 CZ PHE A 70 1.008 3.522 -4.184 1.00 0.00 C ATOM 0 H PHE A 70 0.041 6.627 -0.511 1.00 0.00 H new ATOM 0 HA PHE A 70 2.769 7.103 -1.158 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.138 7.866 -2.494 1.00 0.00 H new ATOM 0 HB3 PHE A 70 1.709 8.113 -3.230 1.00 0.00 H new ATOM 0 HD1 PHE A 70 3.168 5.666 -2.736 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -0.960 6.192 -3.616 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.084 3.403 -3.690 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -1.052 3.928 -4.562 1.00 0.00 H new ATOM 0 HZ PHE A 70 0.969 2.526 -4.600 1.00 0.00 H new ATOM 1050 N ASP A 71 3.183 9.479 -0.607 1.00 0.00 N ATOM 1051 CA ASP A 71 3.452 10.868 -0.265 1.00 0.00 C ATOM 1052 C ASP A 71 3.149 11.766 -1.451 1.00 0.00 C ATOM 1053 O ASP A 71 3.979 11.967 -2.334 1.00 0.00 O ATOM 1054 CB ASP A 71 4.897 11.051 0.163 1.00 0.00 C ATOM 1055 CG ASP A 71 5.239 12.497 0.452 1.00 0.00 C ATOM 1056 OD1 ASP A 71 5.159 13.325 -0.476 1.00 0.00 O ATOM 1057 OD2 ASP A 71 5.588 12.805 1.611 1.00 0.00 O ATOM 0 H ASP A 71 4.013 8.892 -0.688 1.00 0.00 H new ATOM 0 HA ASP A 71 2.807 11.143 0.569 1.00 0.00 H new ATOM 0 HB2 ASP A 71 5.087 10.451 1.053 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.555 10.675 -0.621 1.00 0.00 H new ATOM 1062 N PHE A 72 1.939 12.287 -1.451 1.00 0.00 N ATOM 1063 CA PHE A 72 1.471 13.164 -2.516 1.00 0.00 C ATOM 1064 C PHE A 72 1.522 14.623 -2.080 1.00 0.00 C ATOM 1065 O PHE A 72 0.805 15.467 -2.615 1.00 0.00 O ATOM 1066 CB PHE A 72 0.041 12.789 -2.909 1.00 0.00 C ATOM 1067 CG PHE A 72 -0.055 12.042 -4.209 1.00 0.00 C ATOM 1068 CD1 PHE A 72 0.551 10.812 -4.365 1.00 0.00 C ATOM 1069 CD2 PHE A 72 -0.759 12.579 -5.272 1.00 0.00 C ATOM 1070 CE1 PHE A 72 0.459 10.128 -5.560 1.00 0.00 C ATOM 1071 CE2 PHE A 72 -0.856 11.900 -6.471 1.00 0.00 C ATOM 1072 CZ PHE A 72 -0.241 10.671 -6.616 1.00 0.00 C ATOM 0 H PHE A 72 1.251 12.118 -0.717 1.00 0.00 H new ATOM 0 HA PHE A 72 2.128 13.039 -3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -0.395 12.180 -2.118 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.557 13.698 -2.978 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.103 10.380 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -1.238 13.541 -5.163 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.936 9.165 -5.668 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.411 12.328 -7.293 1.00 0.00 H new ATOM 0 HZ PHE A 72 -0.309 10.138 -7.553 1.00 0.00 H new ATOM 1082 N GLY A 73 2.368 14.917 -1.095 1.00 0.00 N ATOM 1083 CA GLY A 73 2.489 16.274 -0.604 1.00 0.00 C ATOM 1084 C GLY A 73 1.262 16.729 0.161 1.00 0.00 C ATOM 1085 O GLY A 73 1.223 17.850 0.669 1.00 0.00 O ATOM 0 H GLY A 73 2.970 14.238 -0.630 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.363 16.346 0.043 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.659 16.947 -1.445 1.00 0.00 H new ATOM 1089 N VAL A 74 0.261 15.861 0.247 1.00 0.00 N ATOM 1090 CA VAL A 74 -0.965 16.178 0.959 1.00 0.00 C ATOM 1091 C VAL A 74 -1.380 15.023 1.863 1.00 0.00 C ATOM 1092 O VAL A 74 -2.554 14.658 1.923 1.00 0.00 O ATOM 1093 CB VAL A 74 -2.114 16.494 -0.011 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -1.858 17.805 -0.733 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -2.301 15.356 -1.002 1.00 0.00 C ATOM 0 H VAL A 74 0.277 14.930 -0.170 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.763 17.061 1.565 1.00 0.00 H new ATOM 0 HB VAL A 74 -3.034 16.599 0.564 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -2.682 18.012 -1.415 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.779 18.612 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -0.929 17.734 -1.298 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -3.119 15.596 -1.682 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.383 15.217 -1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.535 14.438 -0.462 1.00 0.00 H new ATOM 1105 N GLY A 75 -0.403 14.449 2.559 1.00 0.00 N ATOM 1106 CA GLY A 75 -0.675 13.335 3.452 1.00 0.00 C ATOM 1107 C GLY A 75 -1.958 13.504 4.242 1.00 0.00 C ATOM 1108 O GLY A 75 -2.595 12.521 4.619 1.00 0.00 O ATOM 0 H GLY A 75 0.575 14.736 2.521 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.733 12.416 2.869 1.00 0.00 H new ATOM 0 HA3 GLY A 75 0.159 13.221 4.145 1.00 0.00 H new ATOM 1112 N THR A 76 -2.333 14.752 4.488 1.00 0.00 N ATOM 1113 CA THR A 76 -3.546 15.062 5.242 1.00 0.00 C ATOM 1114 C THR A 76 -4.683 14.115 4.873 1.00 0.00 C ATOM 1115 O THR A 76 -5.391 13.611 5.746 1.00 0.00 O ATOM 1116 CB THR A 76 -3.973 16.502 4.966 1.00 0.00 C ATOM 1117 OG1 THR A 76 -2.980 17.414 5.402 1.00 0.00 O ATOM 1118 CG2 THR A 76 -5.274 16.882 5.639 1.00 0.00 C ATOM 0 H THR A 76 -1.813 15.572 4.176 1.00 0.00 H new ATOM 0 HA THR A 76 -3.326 14.938 6.302 1.00 0.00 H new ATOM 0 HB THR A 76 -4.113 16.558 3.886 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.272 18.330 5.214 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.518 17.917 5.401 1.00 0.00 H new ATOM 0 HG22 THR A 76 -6.072 16.230 5.283 1.00 0.00 H new ATOM 0 HG23 THR A 76 -5.171 16.773 6.719 1.00 0.00 H new ATOM 1126 N LYS A 77 -4.843 13.869 3.581 1.00 0.00 N ATOM 1127 CA LYS A 77 -5.879 12.978 3.094 1.00 0.00 C ATOM 1128 C LYS A 77 -5.431 12.289 1.812 1.00 0.00 C ATOM 1129 O LYS A 77 -6.251 11.799 1.036 1.00 0.00 O ATOM 1130 CB LYS A 77 -7.177 13.752 2.848 1.00 0.00 C ATOM 1131 CG LYS A 77 -7.069 14.782 1.734 1.00 0.00 C ATOM 1132 CD LYS A 77 -8.399 14.970 1.020 1.00 0.00 C ATOM 1133 CE LYS A 77 -8.199 15.418 -0.414 1.00 0.00 C ATOM 1134 NZ LYS A 77 -7.627 16.790 -0.493 1.00 0.00 N ATOM 0 H LYS A 77 -4.263 14.278 2.849 1.00 0.00 H new ATOM 0 HA LYS A 77 -6.062 12.218 3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.971 13.046 2.603 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -7.471 14.255 3.769 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -6.739 15.735 2.148 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -6.311 14.466 1.017 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.957 14.034 1.036 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -8.999 15.708 1.553 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -7.536 14.719 -0.924 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -9.154 15.392 -0.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -7.506 17.059 -1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.271 17.462 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -6.704 16.809 -0.015 1.00 0.00 H new ATOM 1148 N ASN A 78 -4.119 12.256 1.596 1.00 0.00 N ATOM 1149 CA ASN A 78 -3.551 11.635 0.419 1.00 0.00 C ATOM 1150 C ASN A 78 -3.958 10.166 0.311 1.00 0.00 C ATOM 1151 O ASN A 78 -4.292 9.528 1.309 1.00 0.00 O ATOM 1152 CB ASN A 78 -2.032 11.782 0.467 1.00 0.00 C ATOM 1153 CG ASN A 78 -1.350 10.736 1.334 1.00 0.00 C ATOM 1154 OD1 ASN A 78 -2.005 9.905 1.963 1.00 0.00 O ATOM 1155 ND2 ASN A 78 -0.025 10.780 1.375 1.00 0.00 N ATOM 0 H ASN A 78 -3.430 12.658 2.231 1.00 0.00 H new ATOM 0 HA ASN A 78 -3.937 12.135 -0.469 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.636 11.717 -0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -1.782 12.774 0.844 1.00 0.00 H new ATOM 0 HD21 ASN A 78 0.490 10.108 1.944 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.479 11.486 0.838 1.00 0.00 H new ATOM 1162 N PRO A 79 -3.934 9.612 -0.908 1.00 0.00 N ATOM 1163 CA PRO A 79 -4.300 8.213 -1.153 1.00 0.00 C ATOM 1164 C PRO A 79 -3.465 7.241 -0.332 1.00 0.00 C ATOM 1165 O PRO A 79 -2.348 6.889 -0.715 1.00 0.00 O ATOM 1166 CB PRO A 79 -4.026 8.010 -2.649 1.00 0.00 C ATOM 1167 CG PRO A 79 -3.189 9.174 -3.066 1.00 0.00 C ATOM 1168 CD PRO A 79 -3.553 10.304 -2.145 1.00 0.00 C ATOM 0 HA PRO A 79 -5.334 8.019 -0.869 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.506 7.069 -2.828 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -4.956 7.973 -3.216 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -2.128 8.937 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -3.383 9.441 -4.105 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -2.714 10.982 -1.986 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -4.374 10.901 -2.543 1.00 0.00 H new ATOM 1176 N LYS A 80 -4.012 6.804 0.791 1.00 0.00 N ATOM 1177 CA LYS A 80 -3.323 5.867 1.664 1.00 0.00 C ATOM 1178 C LYS A 80 -4.231 4.694 2.010 1.00 0.00 C ATOM 1179 O LYS A 80 -5.373 4.885 2.432 1.00 0.00 O ATOM 1180 CB LYS A 80 -2.874 6.570 2.944 1.00 0.00 C ATOM 1181 CG LYS A 80 -3.801 7.691 3.387 1.00 0.00 C ATOM 1182 CD LYS A 80 -3.981 7.701 4.897 1.00 0.00 C ATOM 1183 CE LYS A 80 -5.265 8.408 5.300 1.00 0.00 C ATOM 1184 NZ LYS A 80 -5.263 9.841 4.888 1.00 0.00 N ATOM 0 H LYS A 80 -4.936 7.085 1.121 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.446 5.489 1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -2.801 5.834 3.745 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -1.874 6.977 2.792 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -3.396 8.649 3.061 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.771 7.574 2.905 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.996 6.677 5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -3.130 8.197 5.363 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.117 7.901 4.846 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -5.393 8.341 6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -6.117 10.309 5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.419 10.311 5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -5.252 9.904 3.850 1.00 0.00 H new ATOM 1198 N LEU A 81 -3.724 3.479 1.833 1.00 0.00 N ATOM 1199 CA LEU A 81 -4.504 2.289 2.136 1.00 0.00 C ATOM 1200 C LEU A 81 -3.876 1.505 3.281 1.00 0.00 C ATOM 1201 O LEU A 81 -2.691 1.665 3.576 1.00 0.00 O ATOM 1202 CB LEU A 81 -4.659 1.402 0.896 1.00 0.00 C ATOM 1203 CG LEU A 81 -3.371 0.773 0.371 1.00 0.00 C ATOM 1204 CD1 LEU A 81 -2.935 -0.372 1.264 1.00 0.00 C ATOM 1205 CD2 LEU A 81 -3.560 0.292 -1.054 1.00 0.00 C ATOM 0 H LEU A 81 -2.784 3.295 1.484 1.00 0.00 H new ATOM 0 HA LEU A 81 -5.497 2.612 2.448 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -5.364 0.604 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.103 1.998 0.098 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.589 1.532 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -2.015 -0.808 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.760 0.000 2.274 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.715 -1.133 1.288 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -2.633 -0.154 -1.414 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.356 -0.452 -1.084 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -3.828 1.136 -1.690 1.00 0.00 H new ATOM 1217 N THR A 82 -4.679 0.675 3.940 1.00 0.00 N ATOM 1218 CA THR A 82 -4.193 -0.104 5.069 1.00 0.00 C ATOM 1219 C THR A 82 -4.063 -1.586 4.731 1.00 0.00 C ATOM 1220 O THR A 82 -5.061 -2.298 4.609 1.00 0.00 O ATOM 1221 CB THR A 82 -5.124 0.068 6.268 1.00 0.00 C ATOM 1222 OG1 THR A 82 -4.718 -0.755 7.344 1.00 0.00 O ATOM 1223 CG2 THR A 82 -6.569 -0.253 5.958 1.00 0.00 C ATOM 0 H THR A 82 -5.662 0.526 3.712 1.00 0.00 H new ATOM 0 HA THR A 82 -3.199 0.271 5.315 1.00 0.00 H new ATOM 0 HB THR A 82 -5.055 1.123 6.534 1.00 0.00 H new ATOM 0 HG1 THR A 82 -5.327 -0.628 8.101 1.00 0.00 H new ATOM 0 HG21 THR A 82 -7.174 -0.110 6.853 1.00 0.00 H new ATOM 0 HG22 THR A 82 -6.927 0.408 5.169 1.00 0.00 H new ATOM 0 HG23 THR A 82 -6.649 -1.289 5.628 1.00 0.00 H new ATOM 1231 N ILE A 83 -2.824 -2.050 4.612 1.00 0.00 N ATOM 1232 CA ILE A 83 -2.543 -3.453 4.327 1.00 0.00 C ATOM 1233 C ILE A 83 -2.360 -4.222 5.632 1.00 0.00 C ATOM 1234 O ILE A 83 -1.406 -3.987 6.373 1.00 0.00 O ATOM 1235 CB ILE A 83 -1.272 -3.616 3.467 1.00 0.00 C ATOM 1236 CG1 ILE A 83 -1.465 -2.949 2.096 1.00 0.00 C ATOM 1237 CG2 ILE A 83 -0.913 -5.089 3.324 1.00 0.00 C ATOM 1238 CD1 ILE A 83 -1.188 -3.856 0.915 1.00 0.00 C ATOM 0 H ILE A 83 -1.991 -1.469 4.709 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.391 -3.851 3.770 1.00 0.00 H new ATOM 0 HB ILE A 83 -0.441 -3.118 3.966 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -2.489 -2.582 2.025 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.810 -2.080 2.033 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -0.014 -5.187 2.715 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -0.731 -5.517 4.310 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -1.736 -5.619 2.845 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.348 -3.305 -0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -0.156 -4.203 0.957 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -1.861 -4.713 0.949 1.00 0.00 H new ATOM 1250 N THR A 84 -3.285 -5.132 5.920 1.00 0.00 N ATOM 1251 CA THR A 84 -3.221 -5.917 7.145 1.00 0.00 C ATOM 1252 C THR A 84 -2.459 -7.219 6.936 1.00 0.00 C ATOM 1253 O THR A 84 -2.877 -8.074 6.161 1.00 0.00 O ATOM 1254 CB THR A 84 -4.628 -6.220 7.660 1.00 0.00 C ATOM 1255 OG1 THR A 84 -5.443 -5.062 7.605 1.00 0.00 O ATOM 1256 CG2 THR A 84 -4.648 -6.730 9.086 1.00 0.00 C ATOM 0 H THR A 84 -4.085 -5.343 5.323 1.00 0.00 H new ATOM 0 HA THR A 84 -2.685 -5.323 7.886 1.00 0.00 H new ATOM 0 HB THR A 84 -5.012 -7.004 7.007 1.00 0.00 H new ATOM 0 HG1 THR A 84 -5.691 -4.881 6.675 1.00 0.00 H new ATOM 0 HG21 THR A 84 -5.677 -6.925 9.388 1.00 0.00 H new ATOM 0 HG22 THR A 84 -4.070 -7.652 9.151 1.00 0.00 H new ATOM 0 HG23 THR A 84 -4.212 -5.981 9.747 1.00 0.00 H new ATOM 1264 N VAL A 85 -1.346 -7.364 7.646 1.00 0.00 N ATOM 1265 CA VAL A 85 -0.532 -8.567 7.547 1.00 0.00 C ATOM 1266 C VAL A 85 -0.795 -9.484 8.735 1.00 0.00 C ATOM 1267 O VAL A 85 -0.208 -9.311 9.804 1.00 0.00 O ATOM 1268 CB VAL A 85 0.969 -8.243 7.487 1.00 0.00 C ATOM 1269 CG1 VAL A 85 1.555 -8.685 6.156 1.00 0.00 C ATOM 1270 CG2 VAL A 85 1.221 -6.759 7.719 1.00 0.00 C ATOM 0 H VAL A 85 -0.988 -6.664 8.295 1.00 0.00 H new ATOM 0 HA VAL A 85 -0.813 -9.066 6.620 1.00 0.00 H new ATOM 0 HB VAL A 85 1.466 -8.795 8.285 1.00 0.00 H new ATOM 0 HG11 VAL A 85 2.619 -8.448 6.130 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.420 -9.760 6.038 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.047 -8.164 5.344 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.292 -6.560 7.671 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.709 -6.179 6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.843 -6.475 8.701 1.00 0.00 H new ATOM 1280 N LEU A 86 -1.686 -10.449 8.541 1.00 0.00 N ATOM 1281 CA LEU A 86 -2.039 -11.391 9.598 1.00 0.00 C ATOM 1282 C LEU A 86 -0.825 -12.201 10.041 1.00 0.00 C ATOM 1283 O LEU A 86 0.195 -12.228 9.360 1.00 0.00 O ATOM 1284 CB LEU A 86 -3.153 -12.326 9.125 1.00 0.00 C ATOM 1285 CG LEU A 86 -4.575 -11.832 9.403 1.00 0.00 C ATOM 1286 CD1 LEU A 86 -4.930 -12.020 10.870 1.00 0.00 C ATOM 1287 CD2 LEU A 86 -4.717 -10.372 9.001 1.00 0.00 C ATOM 0 H LEU A 86 -2.178 -10.600 7.661 1.00 0.00 H new ATOM 0 HA LEU A 86 -2.396 -10.819 10.454 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.043 -12.484 8.052 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.021 -13.296 9.605 1.00 0.00 H new ATOM 0 HG LEU A 86 -5.269 -12.424 8.806 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.944 -11.663 11.048 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.867 -13.077 11.127 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.233 -11.455 11.488 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.734 -10.036 9.205 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -4.013 -9.767 9.573 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.506 -10.265 7.937 1.00 0.00 H new