USER MOD reduce.3.24.130724 H: found=0, std=0, add=932, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 930 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 57 TYR OH : rot 20:sc= -0.219 USER MOD Set 1.2: A 97 GLN : amide:sc= -1.45 K(o=-1.7,f=-0.73) USER MOD Set 1.3: A 107 MET CE :methyl -159:sc= 0 (180deg=-0.0497) USER MOD Set 2.1: A 93 TYR OH : rot 165:sc= 0 USER MOD Set 2.2: A 112 GLN : amide:sc= -0.168 X(o=-0.17,f=0.17) USER MOD Set 3.1: A 87 THR OG1 : rot 114:sc= 1.15 USER MOD Set 3.2: A 92 TYR OH : rot 180:sc= 0.957 USER MOD Set 4.1: A 36 THR OG1 : rot 170:sc= -1.75 USER MOD Set 4.2: A 84 GLN : amide:sc= -0.127 K(o=-1.9,f=-4.8!) USER MOD Set 5.1: A 26 THR OG1 : rot 180:sc= -0.385 USER MOD Set 5.2: A 40 ASN : amide:sc= 0.11 K(o=-0.28,f=-5.1!) USER MOD Single : A 1 GLY N :NH3+ 177:sc= 0 (180deg=-0.0105) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.0722 X(o=-0.072,f=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.126 USER MOD Single : A 23 LYS NZ :NH3+ -133:sc= -1.43 (180deg=-3.8!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000964) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -3.95! C(o=-3.9!,f=-6.6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot -59:sc= -0.109 USER MOD Single : A 54 TYR OH : rot 30:sc= -0.286 USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 156:sc= 0.0364 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.213 X(o=-0.21,f=-0.083) USER MOD Single : A 67 HIS : no HE2:sc= -6.58! C(o=-6.6!,f=-4.8!) USER MOD Single : A 77 ASN : amide:sc= -0.578 K(o=-0.58,f=-3.5!) USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 81 HIS : no HD1:sc= 0.464 K(o=0.46,f=-2.4!) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 90 THR OG1 : rot 75:sc= 0.838 USER MOD Single : A 95 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 ASN : amide:sc= -5.6! C(o=-5.6!,f=-13!) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -134:sc= -0.266 (180deg=-1.14!) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 108 SER OG : rot 140:sc= 1.03 USER MOD Single : A 115 THR OG1 : rot -86:sc= 1.21 USER MOD Single : A 117 LYS NZ :NH3+ -132:sc= 0 (180deg=-0.747) USER MOD Single : A 119 SER OG : rot -56:sc=0.000932 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -44.501 11.837 -17.280 1.00 0.00 N ATOM 2 CA GLY A 1 -43.141 12.144 -17.683 1.00 0.00 C ATOM 3 C GLY A 1 -42.269 10.907 -17.769 1.00 0.00 C ATOM 4 O GLY A 1 -41.126 10.912 -17.312 1.00 0.00 O ATOM 0 H1 GLY A 1 -45.043 12.720 -17.187 1.00 0.00 H new ATOM 0 H2 GLY A 1 -44.947 11.231 -17.998 1.00 0.00 H new ATOM 0 H3 GLY A 1 -44.489 11.340 -16.366 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -43.156 12.642 -18.652 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -42.704 12.844 -16.971 1.00 0.00 H new ATOM 8 N SER A 2 -42.809 9.843 -18.356 1.00 0.00 N ATOM 9 CA SER A 2 -42.074 8.592 -18.495 1.00 0.00 C ATOM 10 C SER A 2 -41.285 8.281 -17.226 1.00 0.00 C ATOM 11 O SER A 2 -40.135 7.846 -17.288 1.00 0.00 O ATOM 12 CB SER A 2 -41.126 8.663 -19.694 1.00 0.00 C ATOM 13 OG SER A 2 -41.818 9.046 -20.869 1.00 0.00 O ATOM 0 H SER A 2 -43.753 9.823 -18.743 1.00 0.00 H new ATOM 0 HA SER A 2 -42.796 7.792 -18.658 1.00 0.00 H new ATOM 0 HB2 SER A 2 -40.328 9.377 -19.489 1.00 0.00 H new ATOM 0 HB3 SER A 2 -40.654 7.692 -19.846 1.00 0.00 H new ATOM 0 HG SER A 2 -41.190 9.086 -21.620 1.00 0.00 H new ATOM 19 N SER A 3 -41.912 8.507 -16.077 1.00 0.00 N ATOM 20 CA SER A 3 -41.269 8.255 -14.792 1.00 0.00 C ATOM 21 C SER A 3 -41.409 6.790 -14.393 1.00 0.00 C ATOM 22 O SER A 3 -42.393 6.133 -14.731 1.00 0.00 O ATOM 23 CB SER A 3 -41.876 9.151 -13.710 1.00 0.00 C ATOM 24 OG SER A 3 -41.448 10.493 -13.860 1.00 0.00 O ATOM 0 H SER A 3 -42.865 8.864 -16.009 1.00 0.00 H new ATOM 0 HA SER A 3 -40.209 8.486 -14.892 1.00 0.00 H new ATOM 0 HB2 SER A 3 -42.964 9.105 -13.763 1.00 0.00 H new ATOM 0 HB3 SER A 3 -41.589 8.782 -12.725 1.00 0.00 H new ATOM 0 HG SER A 3 -41.851 11.045 -13.158 1.00 0.00 H new ATOM 30 N GLY A 4 -40.415 6.282 -13.670 1.00 0.00 N ATOM 31 CA GLY A 4 -40.445 4.898 -13.236 1.00 0.00 C ATOM 32 C GLY A 4 -39.059 4.296 -13.120 1.00 0.00 C ATOM 33 O GLY A 4 -38.479 3.860 -14.115 1.00 0.00 O ATOM 0 H GLY A 4 -39.590 6.805 -13.377 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -40.947 4.834 -12.271 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -41.034 4.312 -13.941 1.00 0.00 H new ATOM 37 N SER A 5 -38.524 4.274 -11.903 1.00 0.00 N ATOM 38 CA SER A 5 -37.195 3.726 -11.662 1.00 0.00 C ATOM 39 C SER A 5 -37.230 2.682 -10.550 1.00 0.00 C ATOM 40 O SER A 5 -37.984 2.812 -9.586 1.00 0.00 O ATOM 41 CB SER A 5 -36.218 4.845 -11.295 1.00 0.00 C ATOM 42 OG SER A 5 -35.868 5.611 -12.435 1.00 0.00 O ATOM 0 H SER A 5 -38.991 4.630 -11.069 1.00 0.00 H new ATOM 0 HA SER A 5 -36.857 3.243 -12.579 1.00 0.00 H new ATOM 0 HB2 SER A 5 -36.668 5.492 -10.542 1.00 0.00 H new ATOM 0 HB3 SER A 5 -35.319 4.416 -10.851 1.00 0.00 H new ATOM 0 HG SER A 5 -35.244 6.320 -12.174 1.00 0.00 H new ATOM 48 N SER A 6 -36.410 1.646 -10.694 1.00 0.00 N ATOM 49 CA SER A 6 -36.350 0.576 -9.704 1.00 0.00 C ATOM 50 C SER A 6 -35.485 0.984 -8.515 1.00 0.00 C ATOM 51 O SER A 6 -34.330 1.375 -8.679 1.00 0.00 O ATOM 52 CB SER A 6 -35.796 -0.702 -10.337 1.00 0.00 C ATOM 53 OG SER A 6 -35.616 -1.716 -9.364 1.00 0.00 O ATOM 0 H SER A 6 -35.778 1.524 -11.486 1.00 0.00 H new ATOM 0 HA SER A 6 -37.362 0.387 -9.347 1.00 0.00 H new ATOM 0 HB2 SER A 6 -36.478 -1.053 -11.111 1.00 0.00 H new ATOM 0 HB3 SER A 6 -34.845 -0.488 -10.824 1.00 0.00 H new ATOM 0 HG SER A 6 -35.263 -2.523 -9.794 1.00 0.00 H new ATOM 59 N GLY A 7 -36.055 0.890 -7.317 1.00 0.00 N ATOM 60 CA GLY A 7 -35.323 1.253 -6.118 1.00 0.00 C ATOM 61 C GLY A 7 -36.211 1.891 -5.068 1.00 0.00 C ATOM 62 O GLY A 7 -36.298 3.116 -4.977 1.00 0.00 O ATOM 0 H GLY A 7 -37.010 0.569 -7.156 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -34.853 0.363 -5.700 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -34.522 1.944 -6.380 1.00 0.00 H new ATOM 66 N THR A 8 -36.875 1.058 -4.271 1.00 0.00 N ATOM 67 CA THR A 8 -37.762 1.547 -3.224 1.00 0.00 C ATOM 68 C THR A 8 -37.205 1.234 -1.840 1.00 0.00 C ATOM 69 O THR A 8 -37.052 2.126 -1.006 1.00 0.00 O ATOM 70 CB THR A 8 -39.170 0.934 -3.349 1.00 0.00 C ATOM 71 OG1 THR A 8 -39.741 1.274 -4.618 1.00 0.00 O ATOM 72 CG2 THR A 8 -40.076 1.427 -2.232 1.00 0.00 C ATOM 0 H THR A 8 -36.814 0.042 -4.332 1.00 0.00 H new ATOM 0 HA THR A 8 -37.832 2.628 -3.348 1.00 0.00 H new ATOM 0 HB THR A 8 -39.079 -0.149 -3.270 1.00 0.00 H new ATOM 0 HG1 THR A 8 -40.635 0.879 -4.691 1.00 0.00 H new ATOM 0 HG21 THR A 8 -41.064 0.981 -2.341 1.00 0.00 H new ATOM 0 HG22 THR A 8 -39.654 1.142 -1.268 1.00 0.00 H new ATOM 0 HG23 THR A 8 -40.160 2.512 -2.284 1.00 0.00 H new ATOM 80 N ALA A 9 -36.904 -0.038 -1.603 1.00 0.00 N ATOM 81 CA ALA A 9 -36.361 -0.468 -0.320 1.00 0.00 C ATOM 82 C ALA A 9 -35.262 0.476 0.155 1.00 0.00 C ATOM 83 O ALA A 9 -34.534 1.054 -0.653 1.00 0.00 O ATOM 84 CB ALA A 9 -35.830 -1.890 -0.422 1.00 0.00 C ATOM 0 H ALA A 9 -37.027 -0.789 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 9 -37.167 -0.444 0.414 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -35.428 -2.198 0.543 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -36.640 -2.561 -0.709 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -35.042 -1.931 -1.174 1.00 0.00 H new ATOM 90 N HIS A 10 -35.147 0.629 1.470 1.00 0.00 N ATOM 91 CA HIS A 10 -34.137 1.505 2.053 1.00 0.00 C ATOM 92 C HIS A 10 -32.734 0.967 1.787 1.00 0.00 C ATOM 93 O HIS A 10 -31.913 1.631 1.155 1.00 0.00 O ATOM 94 CB HIS A 10 -34.363 1.649 3.559 1.00 0.00 C ATOM 95 CG HIS A 10 -33.406 2.591 4.221 1.00 0.00 C ATOM 96 ND1 HIS A 10 -33.093 2.527 5.562 1.00 0.00 N ATOM 97 CD2 HIS A 10 -32.690 3.624 3.718 1.00 0.00 C ATOM 98 CE1 HIS A 10 -32.227 3.480 5.856 1.00 0.00 C ATOM 99 NE2 HIS A 10 -31.966 4.160 4.754 1.00 0.00 N ATOM 0 H HIS A 10 -35.741 0.158 2.152 1.00 0.00 H new ATOM 0 HA HIS A 10 -34.227 2.485 1.585 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -35.381 1.996 3.734 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -34.276 0.668 4.026 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -32.689 3.963 2.693 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -31.804 3.671 6.831 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -31.330 4.954 4.684 1.00 0.00 H new ATOM 108 N GLY A 11 -32.465 -0.241 2.274 1.00 0.00 N ATOM 109 CA GLY A 11 -31.161 -0.846 2.079 1.00 0.00 C ATOM 110 C GLY A 11 -31.212 -2.360 2.125 1.00 0.00 C ATOM 111 O GLY A 11 -30.415 -2.996 2.817 1.00 0.00 O ATOM 0 H GLY A 11 -33.127 -0.811 2.800 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -30.756 -0.528 1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -30.478 -0.485 2.848 1.00 0.00 H new ATOM 115 N THR A 12 -32.152 -2.942 1.387 1.00 0.00 N ATOM 116 CA THR A 12 -32.307 -4.391 1.349 1.00 0.00 C ATOM 117 C THR A 12 -31.487 -5.001 0.217 1.00 0.00 C ATOM 118 O THR A 12 -30.683 -5.907 0.437 1.00 0.00 O ATOM 119 CB THR A 12 -33.783 -4.794 1.174 1.00 0.00 C ATOM 120 OG1 THR A 12 -34.578 -4.203 2.207 1.00 0.00 O ATOM 121 CG2 THR A 12 -33.938 -6.307 1.210 1.00 0.00 C ATOM 0 H THR A 12 -32.818 -2.432 0.807 1.00 0.00 H new ATOM 0 HA THR A 12 -31.945 -4.773 2.304 1.00 0.00 H new ATOM 0 HB THR A 12 -34.123 -4.433 0.204 1.00 0.00 H new ATOM 0 HG1 THR A 12 -35.515 -4.463 2.087 1.00 0.00 H new ATOM 0 HG21 THR A 12 -34.989 -6.568 1.084 1.00 0.00 H new ATOM 0 HG22 THR A 12 -33.355 -6.752 0.404 1.00 0.00 H new ATOM 0 HG23 THR A 12 -33.582 -6.687 2.168 1.00 0.00 H new ATOM 129 N THR A 13 -31.695 -4.498 -0.996 1.00 0.00 N ATOM 130 CA THR A 13 -30.976 -4.994 -2.162 1.00 0.00 C ATOM 131 C THR A 13 -29.536 -5.348 -1.810 1.00 0.00 C ATOM 132 O THR A 13 -28.847 -4.587 -1.130 1.00 0.00 O ATOM 133 CB THR A 13 -30.974 -3.959 -3.303 1.00 0.00 C ATOM 134 OG1 THR A 13 -30.301 -2.767 -2.882 1.00 0.00 O ATOM 135 CG2 THR A 13 -32.395 -3.622 -3.730 1.00 0.00 C ATOM 0 H THR A 13 -32.356 -3.747 -1.196 1.00 0.00 H new ATOM 0 HA THR A 13 -31.497 -5.891 -2.496 1.00 0.00 H new ATOM 0 HB THR A 13 -30.448 -4.390 -4.155 1.00 0.00 H new ATOM 0 HG1 THR A 13 -30.303 -2.115 -3.613 1.00 0.00 H new ATOM 0 HG21 THR A 13 -32.368 -2.889 -4.537 1.00 0.00 H new ATOM 0 HG22 THR A 13 -32.895 -4.526 -4.077 1.00 0.00 H new ATOM 0 HG23 THR A 13 -32.941 -3.209 -2.882 1.00 0.00 H new ATOM 143 N PHE A 14 -29.085 -6.507 -2.279 1.00 0.00 N ATOM 144 CA PHE A 14 -27.725 -6.962 -2.013 1.00 0.00 C ATOM 145 C PHE A 14 -26.707 -6.084 -2.735 1.00 0.00 C ATOM 146 O PHE A 14 -26.698 -6.007 -3.962 1.00 0.00 O ATOM 147 CB PHE A 14 -27.558 -8.419 -2.449 1.00 0.00 C ATOM 148 CG PHE A 14 -27.291 -8.578 -3.919 1.00 0.00 C ATOM 149 CD1 PHE A 14 -28.244 -8.207 -4.854 1.00 0.00 C ATOM 150 CD2 PHE A 14 -26.088 -9.100 -4.365 1.00 0.00 C ATOM 151 CE1 PHE A 14 -28.002 -8.352 -6.207 1.00 0.00 C ATOM 152 CE2 PHE A 14 -25.840 -9.247 -5.717 1.00 0.00 C ATOM 153 CZ PHE A 14 -26.798 -8.873 -6.639 1.00 0.00 C ATOM 0 H PHE A 14 -29.641 -7.148 -2.845 1.00 0.00 H new ATOM 0 HA PHE A 14 -27.547 -6.888 -0.940 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -26.737 -8.866 -1.888 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -28.460 -8.973 -2.190 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -29.187 -7.800 -4.521 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -25.336 -9.395 -3.649 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.753 -8.058 -6.925 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -24.898 -9.654 -6.052 1.00 0.00 H new ATOM 0 HZ PHE A 14 -26.606 -8.988 -7.696 1.00 0.00 H new ATOM 163 N GLU A 15 -25.851 -5.423 -1.961 1.00 0.00 N ATOM 164 CA GLU A 15 -24.830 -4.549 -2.526 1.00 0.00 C ATOM 165 C GLU A 15 -23.882 -5.333 -3.430 1.00 0.00 C ATOM 166 O GLU A 15 -23.787 -6.557 -3.336 1.00 0.00 O ATOM 167 CB GLU A 15 -24.038 -3.865 -1.410 1.00 0.00 C ATOM 168 CG GLU A 15 -23.522 -2.486 -1.787 1.00 0.00 C ATOM 169 CD GLU A 15 -24.503 -1.382 -1.445 1.00 0.00 C ATOM 170 OE1 GLU A 15 -25.721 -1.596 -1.617 1.00 0.00 O ATOM 171 OE2 GLU A 15 -24.053 -0.304 -1.005 1.00 0.00 O ATOM 0 H GLU A 15 -25.845 -5.476 -0.942 1.00 0.00 H new ATOM 0 HA GLU A 15 -25.331 -3.789 -3.125 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -24.671 -3.778 -0.527 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -23.194 -4.497 -1.135 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -22.579 -2.302 -1.272 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -23.311 -2.461 -2.856 1.00 0.00 H new ATOM 178 N LEU A 16 -23.184 -4.618 -4.306 1.00 0.00 N ATOM 179 CA LEU A 16 -22.243 -5.246 -5.228 1.00 0.00 C ATOM 180 C LEU A 16 -20.821 -4.761 -4.968 1.00 0.00 C ATOM 181 O LEU A 16 -20.521 -3.576 -5.113 1.00 0.00 O ATOM 182 CB LEU A 16 -22.640 -4.945 -6.674 1.00 0.00 C ATOM 183 CG LEU A 16 -23.762 -5.806 -7.255 1.00 0.00 C ATOM 184 CD1 LEU A 16 -23.259 -7.210 -7.552 1.00 0.00 C ATOM 185 CD2 LEU A 16 -24.947 -5.853 -6.302 1.00 0.00 C ATOM 0 H LEU A 16 -23.252 -3.604 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 16 -22.275 -6.323 -5.065 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -22.942 -3.900 -6.737 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -21.758 -5.060 -7.303 1.00 0.00 H new ATOM 0 HG LEU A 16 -24.092 -5.355 -8.191 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -24.072 -7.808 -7.965 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -22.443 -7.159 -8.273 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -22.901 -7.671 -6.631 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.736 -6.470 -6.732 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -24.631 -6.279 -5.350 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.324 -4.843 -6.140 1.00 0.00 H new ATOM 197 N VAL A 17 -19.947 -5.687 -4.585 1.00 0.00 N ATOM 198 CA VAL A 17 -18.554 -5.356 -4.308 1.00 0.00 C ATOM 199 C VAL A 17 -17.906 -4.663 -5.502 1.00 0.00 C ATOM 200 O VAL A 17 -18.305 -4.851 -6.652 1.00 0.00 O ATOM 201 CB VAL A 17 -17.738 -6.613 -3.952 1.00 0.00 C ATOM 202 CG1 VAL A 17 -18.049 -7.067 -2.535 1.00 0.00 C ATOM 203 CG2 VAL A 17 -18.014 -7.726 -4.951 1.00 0.00 C ATOM 0 H VAL A 17 -20.179 -6.672 -4.460 1.00 0.00 H new ATOM 0 HA VAL A 17 -18.553 -4.678 -3.454 1.00 0.00 H new ATOM 0 HB VAL A 17 -16.678 -6.365 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -17.463 -7.956 -2.301 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -17.796 -6.271 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -19.111 -7.300 -2.452 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -17.430 -8.607 -4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -19.075 -7.976 -4.934 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -17.736 -7.394 -5.951 1.00 0.00 H new ATOM 213 N PRO A 18 -16.882 -3.843 -5.226 1.00 0.00 N ATOM 214 CA PRO A 18 -16.155 -3.106 -6.264 1.00 0.00 C ATOM 215 C PRO A 18 -15.311 -4.023 -7.143 1.00 0.00 C ATOM 216 O PRO A 18 -14.234 -4.467 -6.742 1.00 0.00 O ATOM 217 CB PRO A 18 -15.258 -2.158 -5.465 1.00 0.00 C ATOM 218 CG PRO A 18 -15.073 -2.831 -4.149 1.00 0.00 C ATOM 219 CD PRO A 18 -16.353 -3.572 -3.878 1.00 0.00 C ATOM 0 HA PRO A 18 -16.831 -2.597 -6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -14.303 -2.000 -5.966 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -15.722 -1.179 -5.347 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -14.225 -3.515 -4.177 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -14.870 -2.103 -3.364 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.174 -4.493 -3.324 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -17.046 -2.974 -3.287 1.00 0.00 H new ATOM 227 N THR A 19 -15.806 -4.305 -8.344 1.00 0.00 N ATOM 228 CA THR A 19 -15.099 -5.170 -9.279 1.00 0.00 C ATOM 229 C THR A 19 -14.088 -4.379 -10.102 1.00 0.00 C ATOM 230 O THR A 19 -13.468 -4.914 -11.022 1.00 0.00 O ATOM 231 CB THR A 19 -16.075 -5.884 -10.233 1.00 0.00 C ATOM 232 OG1 THR A 19 -16.313 -5.071 -11.388 1.00 0.00 O ATOM 233 CG2 THR A 19 -17.393 -6.181 -9.536 1.00 0.00 C ATOM 0 H THR A 19 -16.695 -3.946 -8.692 1.00 0.00 H new ATOM 0 HA THR A 19 -14.574 -5.917 -8.684 1.00 0.00 H new ATOM 0 HB THR A 19 -15.624 -6.828 -10.540 1.00 0.00 H new ATOM 0 HG1 THR A 19 -16.933 -5.532 -11.991 1.00 0.00 H new ATOM 0 HG21 THR A 19 -18.066 -6.685 -10.230 1.00 0.00 H new ATOM 0 HG22 THR A 19 -17.212 -6.823 -8.674 1.00 0.00 H new ATOM 0 HG23 THR A 19 -17.847 -5.248 -9.204 1.00 0.00 H new ATOM 241 N SER A 20 -13.926 -3.103 -9.766 1.00 0.00 N ATOM 242 CA SER A 20 -12.993 -2.238 -10.477 1.00 0.00 C ATOM 243 C SER A 20 -11.884 -1.755 -9.547 1.00 0.00 C ATOM 244 O SER A 20 -12.123 -1.366 -8.403 1.00 0.00 O ATOM 245 CB SER A 20 -13.730 -1.038 -11.075 1.00 0.00 C ATOM 246 OG SER A 20 -12.967 -0.432 -12.104 1.00 0.00 O ATOM 0 H SER A 20 -14.429 -2.646 -9.006 1.00 0.00 H new ATOM 0 HA SER A 20 -12.542 -2.817 -11.283 1.00 0.00 H new ATOM 0 HB2 SER A 20 -14.692 -1.360 -11.473 1.00 0.00 H new ATOM 0 HB3 SER A 20 -13.937 -0.307 -10.293 1.00 0.00 H new ATOM 0 HG SER A 20 -13.460 0.331 -12.471 1.00 0.00 H new ATOM 252 N PRO A 21 -10.640 -1.781 -10.047 1.00 0.00 N ATOM 253 CA PRO A 21 -9.468 -1.349 -9.279 1.00 0.00 C ATOM 254 C PRO A 21 -9.449 0.158 -9.048 1.00 0.00 C ATOM 255 O PRO A 21 -10.155 0.920 -9.709 1.00 0.00 O ATOM 256 CB PRO A 21 -8.290 -1.770 -10.162 1.00 0.00 C ATOM 257 CG PRO A 21 -8.846 -1.805 -11.543 1.00 0.00 C ATOM 258 CD PRO A 21 -10.281 -2.233 -11.402 1.00 0.00 C ATOM 0 HA PRO A 21 -9.450 -1.789 -8.282 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -7.465 -1.062 -10.085 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -7.902 -2.745 -9.866 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -8.776 -0.826 -12.017 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -8.291 -2.503 -12.170 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.914 -1.772 -12.160 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -10.391 -3.312 -11.508 1.00 0.00 H new ATOM 266 N PRO A 22 -8.623 0.600 -8.089 1.00 0.00 N ATOM 267 CA PRO A 22 -8.492 2.021 -7.750 1.00 0.00 C ATOM 268 C PRO A 22 -7.800 2.818 -8.850 1.00 0.00 C ATOM 269 O PRO A 22 -7.077 2.259 -9.676 1.00 0.00 O ATOM 270 CB PRO A 22 -7.635 2.005 -6.482 1.00 0.00 C ATOM 271 CG PRO A 22 -6.858 0.736 -6.565 1.00 0.00 C ATOM 272 CD PRO A 22 -7.752 -0.252 -7.262 1.00 0.00 C ATOM 0 HA PRO A 22 -9.462 2.500 -7.620 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -6.975 2.871 -6.440 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -8.254 2.032 -5.585 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -5.931 0.882 -7.119 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -6.583 0.381 -5.572 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -7.180 -0.952 -7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -8.328 -0.845 -6.551 1.00 0.00 H new ATOM 280 N LYS A 23 -8.025 4.127 -8.857 1.00 0.00 N ATOM 281 CA LYS A 23 -7.422 5.003 -9.855 1.00 0.00 C ATOM 282 C LYS A 23 -6.430 5.963 -9.207 1.00 0.00 C ATOM 283 O LYS A 23 -6.213 5.923 -7.996 1.00 0.00 O ATOM 284 CB LYS A 23 -8.506 5.793 -10.591 1.00 0.00 C ATOM 285 CG LYS A 23 -9.799 5.020 -10.781 1.00 0.00 C ATOM 286 CD LYS A 23 -10.759 5.755 -11.703 1.00 0.00 C ATOM 287 CE LYS A 23 -10.330 5.643 -13.158 1.00 0.00 C ATOM 288 NZ LYS A 23 -9.280 6.640 -13.505 1.00 0.00 N ATOM 0 H LYS A 23 -8.621 4.606 -8.182 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.885 4.381 -10.571 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.717 6.707 -10.036 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.125 6.093 -11.567 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.578 4.036 -11.194 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -10.274 4.860 -9.813 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -11.763 5.346 -11.586 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.808 6.806 -11.417 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.954 4.638 -13.349 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.196 5.788 -13.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.529 7.110 -14.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -9.211 7.350 -12.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -8.365 6.158 -13.611 1.00 0.00 H new ATOM 302 N ASP A 24 -5.831 6.826 -10.021 1.00 0.00 N ATOM 303 CA ASP A 24 -4.863 7.798 -9.527 1.00 0.00 C ATOM 304 C ASP A 24 -3.758 7.109 -8.733 1.00 0.00 C ATOM 305 O ASP A 24 -3.158 7.706 -7.839 1.00 0.00 O ATOM 306 CB ASP A 24 -5.559 8.844 -8.654 1.00 0.00 C ATOM 307 CG ASP A 24 -4.858 10.188 -8.691 1.00 0.00 C ATOM 308 OD1 ASP A 24 -3.681 10.253 -8.281 1.00 0.00 O ATOM 309 OD2 ASP A 24 -5.488 11.174 -9.128 1.00 0.00 O ATOM 0 H ASP A 24 -5.999 6.872 -11.026 1.00 0.00 H new ATOM 0 HA ASP A 24 -4.413 8.295 -10.386 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.589 8.965 -8.989 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.599 8.486 -7.625 1.00 0.00 H new ATOM 314 N VAL A 25 -3.494 5.850 -9.066 1.00 0.00 N ATOM 315 CA VAL A 25 -2.461 5.079 -8.384 1.00 0.00 C ATOM 316 C VAL A 25 -1.074 5.642 -8.674 1.00 0.00 C ATOM 317 O VAL A 25 -0.549 5.491 -9.778 1.00 0.00 O ATOM 318 CB VAL A 25 -2.499 3.597 -8.801 1.00 0.00 C ATOM 319 CG1 VAL A 25 -1.385 2.821 -8.116 1.00 0.00 C ATOM 320 CG2 VAL A 25 -3.857 2.989 -8.482 1.00 0.00 C ATOM 0 H VAL A 25 -3.981 5.342 -9.804 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.664 5.153 -7.316 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.343 3.536 -9.878 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.428 1.776 -8.423 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.421 3.243 -8.399 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -1.507 2.887 -7.035 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.866 1.941 -8.783 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.045 3.060 -7.411 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.634 3.529 -9.023 1.00 0.00 H new ATOM 330 N THR A 26 -0.484 6.292 -7.676 1.00 0.00 N ATOM 331 CA THR A 26 0.842 6.879 -7.824 1.00 0.00 C ATOM 332 C THR A 26 1.704 6.604 -6.597 1.00 0.00 C ATOM 333 O THR A 26 1.201 6.529 -5.476 1.00 0.00 O ATOM 334 CB THR A 26 0.761 8.400 -8.051 1.00 0.00 C ATOM 335 OG1 THR A 26 -0.095 8.997 -7.070 1.00 0.00 O ATOM 336 CG2 THR A 26 0.239 8.713 -9.445 1.00 0.00 C ATOM 0 H THR A 26 -0.904 6.425 -6.756 1.00 0.00 H new ATOM 0 HA THR A 26 1.299 6.413 -8.697 1.00 0.00 H new ATOM 0 HB THR A 26 1.765 8.813 -7.956 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.140 9.964 -7.220 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.191 9.793 -9.581 1.00 0.00 H new ATOM 0 HG22 THR A 26 0.909 8.283 -10.189 1.00 0.00 H new ATOM 0 HG23 THR A 26 -0.757 8.287 -9.564 1.00 0.00 H new ATOM 344 N VAL A 27 3.007 6.456 -6.817 1.00 0.00 N ATOM 345 CA VAL A 27 3.940 6.191 -5.728 1.00 0.00 C ATOM 346 C VAL A 27 5.074 7.211 -5.717 1.00 0.00 C ATOM 347 O VAL A 27 5.906 7.240 -6.623 1.00 0.00 O ATOM 348 CB VAL A 27 4.538 4.776 -5.833 1.00 0.00 C ATOM 349 CG1 VAL A 27 5.433 4.484 -4.638 1.00 0.00 C ATOM 350 CG2 VAL A 27 3.432 3.738 -5.947 1.00 0.00 C ATOM 0 H VAL A 27 3.440 6.515 -7.739 1.00 0.00 H new ATOM 0 HA VAL A 27 3.374 6.270 -4.800 1.00 0.00 H new ATOM 0 HB VAL A 27 5.148 4.724 -6.735 1.00 0.00 H new ATOM 0 HG11 VAL A 27 5.846 3.480 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.246 5.210 -4.606 1.00 0.00 H new ATOM 0 HG13 VAL A 27 4.849 4.553 -3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 27 3.872 2.744 -6.020 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.794 3.788 -5.065 1.00 0.00 H new ATOM 0 HG23 VAL A 27 2.836 3.937 -6.838 1.00 0.00 H new ATOM 360 N VAL A 28 5.101 8.046 -4.683 1.00 0.00 N ATOM 361 CA VAL A 28 6.134 9.067 -4.552 1.00 0.00 C ATOM 362 C VAL A 28 7.063 8.761 -3.382 1.00 0.00 C ATOM 363 O VAL A 28 6.894 7.759 -2.687 1.00 0.00 O ATOM 364 CB VAL A 28 5.519 10.465 -4.353 1.00 0.00 C ATOM 365 CG1 VAL A 28 4.835 10.934 -5.628 1.00 0.00 C ATOM 366 CG2 VAL A 28 4.543 10.456 -3.186 1.00 0.00 C ATOM 0 H VAL A 28 4.420 8.036 -3.924 1.00 0.00 H new ATOM 0 HA VAL A 28 6.707 9.059 -5.479 1.00 0.00 H new ATOM 0 HB VAL A 28 6.321 11.166 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.406 11.923 -5.468 1.00 0.00 H new ATOM 0 HG12 VAL A 28 5.565 10.981 -6.436 1.00 0.00 H new ATOM 0 HG13 VAL A 28 4.043 10.234 -5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.118 11.452 -3.060 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.743 9.743 -3.386 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.068 10.167 -2.275 1.00 0.00 H new ATOM 376 N SER A 29 8.045 9.631 -3.170 1.00 0.00 N ATOM 377 CA SER A 29 9.004 9.453 -2.087 1.00 0.00 C ATOM 378 C SER A 29 8.829 10.533 -1.023 1.00 0.00 C ATOM 379 O SER A 29 8.109 11.511 -1.227 1.00 0.00 O ATOM 380 CB SER A 29 10.433 9.484 -2.631 1.00 0.00 C ATOM 381 OG SER A 29 10.795 10.792 -3.038 1.00 0.00 O ATOM 0 H SER A 29 8.197 10.467 -3.735 1.00 0.00 H new ATOM 0 HA SER A 29 8.819 8.482 -1.628 1.00 0.00 H new ATOM 0 HB2 SER A 29 11.125 9.133 -1.865 1.00 0.00 H new ATOM 0 HB3 SER A 29 10.519 8.800 -3.475 1.00 0.00 H new ATOM 0 HG SER A 29 11.713 10.786 -3.380 1.00 0.00 H new ATOM 387 N LYS A 30 9.494 10.349 0.112 1.00 0.00 N ATOM 388 CA LYS A 30 9.415 11.307 1.209 1.00 0.00 C ATOM 389 C LYS A 30 10.676 12.162 1.277 1.00 0.00 C ATOM 390 O LYS A 30 11.782 11.670 1.057 1.00 0.00 O ATOM 391 CB LYS A 30 9.209 10.576 2.538 1.00 0.00 C ATOM 392 CG LYS A 30 9.251 11.492 3.749 1.00 0.00 C ATOM 393 CD LYS A 30 8.375 10.969 4.874 1.00 0.00 C ATOM 394 CE LYS A 30 7.833 12.102 5.732 1.00 0.00 C ATOM 395 NZ LYS A 30 8.770 12.461 6.832 1.00 0.00 N ATOM 0 H LYS A 30 10.094 9.545 0.297 1.00 0.00 H new ATOM 0 HA LYS A 30 8.563 11.962 1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.248 10.062 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.978 9.811 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.279 11.585 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 30 8.920 12.490 3.463 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.545 10.399 4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 30 8.951 10.284 5.496 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.654 12.977 5.107 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.872 11.810 6.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 8.365 13.237 7.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 8.921 11.633 7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.679 12.764 6.428 1.00 0.00 H new ATOM 409 N GLU A 31 10.501 13.443 1.584 1.00 0.00 N ATOM 410 CA GLU A 31 11.627 14.365 1.682 1.00 0.00 C ATOM 411 C GLU A 31 12.271 14.294 3.063 1.00 0.00 C ATOM 412 O GLU A 31 11.728 14.807 4.041 1.00 0.00 O ATOM 413 CB GLU A 31 11.169 15.796 1.394 1.00 0.00 C ATOM 414 CG GLU A 31 12.216 16.848 1.720 1.00 0.00 C ATOM 415 CD GLU A 31 11.749 18.255 1.403 1.00 0.00 C ATOM 416 OE1 GLU A 31 10.828 18.744 2.090 1.00 0.00 O ATOM 417 OE2 GLU A 31 12.305 18.867 0.467 1.00 0.00 O ATOM 0 H GLU A 31 9.591 13.866 1.769 1.00 0.00 H new ATOM 0 HA GLU A 31 12.369 14.072 0.939 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.900 15.877 0.341 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.267 16.003 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 31 12.472 16.784 2.777 1.00 0.00 H new ATOM 0 HG3 GLU A 31 13.126 16.636 1.158 1.00 0.00 H new ATOM 424 N GLY A 32 13.433 13.652 3.136 1.00 0.00 N ATOM 425 CA GLY A 32 14.132 13.524 4.401 1.00 0.00 C ATOM 426 C GLY A 32 14.371 12.078 4.788 1.00 0.00 C ATOM 427 O GLY A 32 15.338 11.764 5.481 1.00 0.00 O ATOM 0 H GLY A 32 13.903 13.218 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 32 15.089 14.043 4.338 1.00 0.00 H new ATOM 0 HA3 GLY A 32 13.554 14.015 5.183 1.00 0.00 H new ATOM 431 N LYS A 33 13.485 11.194 4.341 1.00 0.00 N ATOM 432 CA LYS A 33 13.602 9.773 4.644 1.00 0.00 C ATOM 433 C LYS A 33 13.511 8.936 3.372 1.00 0.00 C ATOM 434 O LYS A 33 12.429 8.697 2.834 1.00 0.00 O ATOM 435 CB LYS A 33 12.508 9.348 5.626 1.00 0.00 C ATOM 436 CG LYS A 33 13.007 8.441 6.738 1.00 0.00 C ATOM 437 CD LYS A 33 13.033 6.986 6.301 1.00 0.00 C ATOM 438 CE LYS A 33 12.876 6.045 7.485 1.00 0.00 C ATOM 439 NZ LYS A 33 14.033 6.130 8.419 1.00 0.00 N ATOM 0 H LYS A 33 12.678 11.437 3.767 1.00 0.00 H new ATOM 0 HA LYS A 33 14.577 9.604 5.100 1.00 0.00 H new ATOM 0 HB2 LYS A 33 12.062 10.239 6.068 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.718 8.835 5.077 1.00 0.00 H new ATOM 0 HG2 LYS A 33 14.008 8.750 7.039 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.365 8.548 7.612 1.00 0.00 H new ATOM 0 HD2 LYS A 33 12.232 6.806 5.584 1.00 0.00 H new ATOM 0 HD3 LYS A 33 13.972 6.775 5.790 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.958 6.286 8.021 1.00 0.00 H new ATOM 0 HE3 LYS A 33 12.775 5.021 7.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.896 5.461 9.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 14.908 5.892 7.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 14.104 7.096 8.797 1.00 0.00 H new ATOM 453 N PRO A 34 14.671 8.477 2.880 1.00 0.00 N ATOM 454 CA PRO A 34 14.748 7.658 1.667 1.00 0.00 C ATOM 455 C PRO A 34 14.171 6.262 1.873 1.00 0.00 C ATOM 456 O PRO A 34 13.849 5.563 0.911 1.00 0.00 O ATOM 457 CB PRO A 34 16.250 7.580 1.386 1.00 0.00 C ATOM 458 CG PRO A 34 16.895 7.784 2.713 1.00 0.00 C ATOM 459 CD PRO A 34 15.998 8.724 3.470 1.00 0.00 C ATOM 0 HA PRO A 34 14.170 8.086 0.849 1.00 0.00 H new ATOM 0 HB2 PRO A 34 16.523 6.616 0.957 1.00 0.00 H new ATOM 0 HB3 PRO A 34 16.560 8.345 0.674 1.00 0.00 H new ATOM 0 HG2 PRO A 34 17.005 6.838 3.243 1.00 0.00 H new ATOM 0 HG3 PRO A 34 17.894 8.204 2.601 1.00 0.00 H new ATOM 0 HD2 PRO A 34 16.008 8.515 4.540 1.00 0.00 H new ATOM 0 HD3 PRO A 34 16.307 9.762 3.345 1.00 0.00 H new ATOM 467 N LYS A 35 14.043 5.860 3.133 1.00 0.00 N ATOM 468 CA LYS A 35 13.504 4.547 3.466 1.00 0.00 C ATOM 469 C LYS A 35 11.982 4.591 3.555 1.00 0.00 C ATOM 470 O LYS A 35 11.327 3.557 3.694 1.00 0.00 O ATOM 471 CB LYS A 35 14.088 4.054 4.792 1.00 0.00 C ATOM 472 CG LYS A 35 15.564 3.702 4.713 1.00 0.00 C ATOM 473 CD LYS A 35 16.008 2.886 5.915 1.00 0.00 C ATOM 474 CE LYS A 35 17.506 3.004 6.147 1.00 0.00 C ATOM 475 NZ LYS A 35 17.865 4.286 6.814 1.00 0.00 N ATOM 0 H LYS A 35 14.305 6.425 3.941 1.00 0.00 H new ATOM 0 HA LYS A 35 13.785 3.855 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.947 4.824 5.550 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.531 3.177 5.121 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.756 3.140 3.799 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.154 4.616 4.655 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.474 3.224 6.803 1.00 0.00 H new ATOM 0 HD3 LYS A 35 15.744 1.839 5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.845 2.169 6.759 1.00 0.00 H new ATOM 0 HE3 LYS A 35 18.028 2.933 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.895 4.328 6.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.564 5.084 6.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.387 4.343 7.736 1.00 0.00 H new ATOM 489 N THR A 36 11.423 5.794 3.472 1.00 0.00 N ATOM 490 CA THR A 36 9.978 5.972 3.542 1.00 0.00 C ATOM 491 C THR A 36 9.415 6.434 2.203 1.00 0.00 C ATOM 492 O THR A 36 10.096 7.115 1.435 1.00 0.00 O ATOM 493 CB THR A 36 9.590 6.993 4.629 1.00 0.00 C ATOM 494 OG1 THR A 36 10.021 6.529 5.913 1.00 0.00 O ATOM 495 CG2 THR A 36 8.086 7.221 4.645 1.00 0.00 C ATOM 0 H THR A 36 11.949 6.660 3.356 1.00 0.00 H new ATOM 0 HA THR A 36 9.552 5.001 3.796 1.00 0.00 H new ATOM 0 HB THR A 36 10.082 7.938 4.401 1.00 0.00 H new ATOM 0 HG1 THR A 36 9.918 7.247 6.572 1.00 0.00 H new ATOM 0 HG21 THR A 36 7.836 7.945 5.420 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.765 7.602 3.675 1.00 0.00 H new ATOM 0 HG23 THR A 36 7.577 6.279 4.851 1.00 0.00 H new ATOM 503 N ILE A 37 8.169 6.061 1.930 1.00 0.00 N ATOM 504 CA ILE A 37 7.515 6.439 0.684 1.00 0.00 C ATOM 505 C ILE A 37 6.014 6.618 0.883 1.00 0.00 C ATOM 506 O ILE A 37 5.429 6.054 1.809 1.00 0.00 O ATOM 507 CB ILE A 37 7.754 5.391 -0.419 1.00 0.00 C ATOM 508 CG1 ILE A 37 7.114 4.057 -0.031 1.00 0.00 C ATOM 509 CG2 ILE A 37 9.245 5.216 -0.669 1.00 0.00 C ATOM 510 CD1 ILE A 37 6.676 3.229 -1.220 1.00 0.00 C ATOM 0 H ILE A 37 7.593 5.498 2.555 1.00 0.00 H new ATOM 0 HA ILE A 37 7.954 7.387 0.373 1.00 0.00 H new ATOM 0 HB ILE A 37 7.289 5.742 -1.341 1.00 0.00 H new ATOM 0 HG12 ILE A 37 7.825 3.481 0.561 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.251 4.249 0.606 1.00 0.00 H new ATOM 0 HG21 ILE A 37 9.398 4.472 -1.451 1.00 0.00 H new ATOM 0 HG22 ILE A 37 9.675 6.167 -0.983 1.00 0.00 H new ATOM 0 HG23 ILE A 37 9.731 4.883 0.248 1.00 0.00 H new ATOM 0 HD11 ILE A 37 6.231 2.297 -0.871 1.00 0.00 H new ATOM 0 HD12 ILE A 37 5.941 3.786 -1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 37 7.540 3.006 -1.846 1.00 0.00 H new ATOM 522 N ILE A 38 5.396 7.403 0.008 1.00 0.00 N ATOM 523 CA ILE A 38 3.962 7.653 0.086 1.00 0.00 C ATOM 524 C ILE A 38 3.244 7.131 -1.155 1.00 0.00 C ATOM 525 O ILE A 38 3.578 7.502 -2.280 1.00 0.00 O ATOM 526 CB ILE A 38 3.660 9.155 0.246 1.00 0.00 C ATOM 527 CG1 ILE A 38 4.291 9.690 1.533 1.00 0.00 C ATOM 528 CG2 ILE A 38 2.158 9.396 0.245 1.00 0.00 C ATOM 529 CD1 ILE A 38 5.767 9.992 1.402 1.00 0.00 C ATOM 0 H ILE A 38 5.866 7.877 -0.763 1.00 0.00 H new ATOM 0 HA ILE A 38 3.597 7.122 0.965 1.00 0.00 H new ATOM 0 HB ILE A 38 4.094 9.690 -0.598 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.768 10.598 1.834 1.00 0.00 H new ATOM 0 HG13 ILE A 38 4.147 8.960 2.329 1.00 0.00 H new ATOM 0 HG21 ILE A 38 1.960 10.462 0.359 1.00 0.00 H new ATOM 0 HG22 ILE A 38 1.734 9.047 -0.697 1.00 0.00 H new ATOM 0 HG23 ILE A 38 1.702 8.852 1.072 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.147 10.367 2.352 1.00 0.00 H new ATOM 0 HD12 ILE A 38 6.302 9.082 1.131 1.00 0.00 H new ATOM 0 HD13 ILE A 38 5.917 10.745 0.628 1.00 0.00 H new ATOM 541 N VAL A 39 2.256 6.268 -0.941 1.00 0.00 N ATOM 542 CA VAL A 39 1.488 5.697 -2.041 1.00 0.00 C ATOM 543 C VAL A 39 0.111 6.343 -2.144 1.00 0.00 C ATOM 544 O VAL A 39 -0.785 6.045 -1.356 1.00 0.00 O ATOM 545 CB VAL A 39 1.319 4.175 -1.876 1.00 0.00 C ATOM 546 CG1 VAL A 39 0.460 3.609 -2.996 1.00 0.00 C ATOM 547 CG2 VAL A 39 2.676 3.489 -1.835 1.00 0.00 C ATOM 0 H VAL A 39 1.969 5.949 -0.016 1.00 0.00 H new ATOM 0 HA VAL A 39 2.048 5.896 -2.955 1.00 0.00 H new ATOM 0 HB VAL A 39 0.813 3.984 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.352 2.533 -2.863 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.523 4.078 -2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.935 3.810 -3.956 1.00 0.00 H new ATOM 0 HG21 VAL A 39 2.537 2.414 -1.718 1.00 0.00 H new ATOM 0 HG22 VAL A 39 3.212 3.687 -2.763 1.00 0.00 H new ATOM 0 HG23 VAL A 39 3.253 3.874 -0.994 1.00 0.00 H new ATOM 557 N ASN A 40 -0.049 7.228 -3.122 1.00 0.00 N ATOM 558 CA ASN A 40 -1.318 7.917 -3.329 1.00 0.00 C ATOM 559 C ASN A 40 -2.204 7.146 -4.302 1.00 0.00 C ATOM 560 O ASN A 40 -1.711 6.384 -5.135 1.00 0.00 O ATOM 561 CB ASN A 40 -1.074 9.333 -3.856 1.00 0.00 C ATOM 562 CG ASN A 40 0.240 9.912 -3.369 1.00 0.00 C ATOM 563 OD1 ASN A 40 1.314 9.504 -3.812 1.00 0.00 O ATOM 564 ND2 ASN A 40 0.160 10.869 -2.452 1.00 0.00 N ATOM 0 H ASN A 40 0.684 7.485 -3.784 1.00 0.00 H new ATOM 0 HA ASN A 40 -1.830 7.977 -2.369 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.080 9.318 -4.946 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.892 9.981 -3.542 1.00 0.00 H new ATOM 0 HD21 ASN A 40 1.010 11.297 -2.086 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.752 11.176 -2.113 1.00 0.00 H new ATOM 571 N TRP A 41 -3.511 7.348 -4.192 1.00 0.00 N ATOM 572 CA TRP A 41 -4.466 6.672 -5.063 1.00 0.00 C ATOM 573 C TRP A 41 -5.869 7.241 -4.879 1.00 0.00 C ATOM 574 O TRP A 41 -6.068 8.189 -4.120 1.00 0.00 O ATOM 575 CB TRP A 41 -4.470 5.169 -4.779 1.00 0.00 C ATOM 576 CG TRP A 41 -5.088 4.815 -3.461 1.00 0.00 C ATOM 577 CD1 TRP A 41 -6.418 4.645 -3.198 1.00 0.00 C ATOM 578 CD2 TRP A 41 -4.401 4.589 -2.225 1.00 0.00 C ATOM 579 NE1 TRP A 41 -6.598 4.328 -1.873 1.00 0.00 N ATOM 580 CE2 TRP A 41 -5.377 4.287 -1.255 1.00 0.00 C ATOM 581 CE3 TRP A 41 -3.057 4.612 -1.844 1.00 0.00 C ATOM 582 CZ2 TRP A 41 -5.048 4.010 0.070 1.00 0.00 C ATOM 583 CZ3 TRP A 41 -2.733 4.338 -0.529 1.00 0.00 C ATOM 584 CH2 TRP A 41 -3.724 4.039 0.415 1.00 0.00 C ATOM 0 H TRP A 41 -3.935 7.975 -3.508 1.00 0.00 H new ATOM 0 HA TRP A 41 -4.160 6.839 -6.096 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -5.011 4.658 -5.575 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -3.445 4.799 -4.802 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.211 4.745 -3.924 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -7.496 4.152 -1.423 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -2.285 4.840 -2.564 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -5.811 3.780 0.799 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -1.697 4.355 -0.223 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -3.438 3.827 1.435 1.00 0.00 H new ATOM 595 N GLN A 42 -6.836 6.655 -5.577 1.00 0.00 N ATOM 596 CA GLN A 42 -8.220 7.106 -5.489 1.00 0.00 C ATOM 597 C GLN A 42 -9.185 5.935 -5.646 1.00 0.00 C ATOM 598 O GLN A 42 -8.829 4.869 -6.150 1.00 0.00 O ATOM 599 CB GLN A 42 -8.504 8.162 -6.558 1.00 0.00 C ATOM 600 CG GLN A 42 -8.220 9.583 -6.099 1.00 0.00 C ATOM 601 CD GLN A 42 -9.082 10.609 -6.810 1.00 0.00 C ATOM 602 OE1 GLN A 42 -8.873 10.903 -7.987 1.00 0.00 O ATOM 603 NE2 GLN A 42 -10.057 11.159 -6.097 1.00 0.00 N ATOM 0 H GLN A 42 -6.687 5.868 -6.209 1.00 0.00 H new ATOM 0 HA GLN A 42 -8.369 7.547 -4.504 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -7.900 7.946 -7.440 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -9.548 8.089 -6.861 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -8.389 9.654 -5.024 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -7.169 9.814 -6.273 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.194 10.885 -5.124 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.669 11.855 -6.522 1.00 0.00 H new ATOM 612 N PRO A 43 -10.436 6.134 -5.205 1.00 0.00 N ATOM 613 CA PRO A 43 -11.477 5.106 -5.287 1.00 0.00 C ATOM 614 C PRO A 43 -11.921 4.842 -6.722 1.00 0.00 C ATOM 615 O PRO A 43 -11.867 5.719 -7.584 1.00 0.00 O ATOM 616 CB PRO A 43 -12.628 5.702 -4.472 1.00 0.00 C ATOM 617 CG PRO A 43 -12.418 7.175 -4.542 1.00 0.00 C ATOM 618 CD PRO A 43 -10.930 7.379 -4.594 1.00 0.00 C ATOM 0 HA PRO A 43 -11.128 4.142 -4.917 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -13.595 5.420 -4.888 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -12.608 5.348 -3.441 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.901 7.597 -5.424 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -12.850 7.672 -3.674 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -10.665 8.252 -5.190 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -10.511 7.533 -3.600 1.00 0.00 H new ATOM 626 N PRO A 44 -12.369 3.606 -6.985 1.00 0.00 N ATOM 627 CA PRO A 44 -12.832 3.199 -8.315 1.00 0.00 C ATOM 628 C PRO A 44 -14.148 3.865 -8.700 1.00 0.00 C ATOM 629 O PRO A 44 -14.859 4.397 -7.847 1.00 0.00 O ATOM 630 CB PRO A 44 -13.018 1.685 -8.178 1.00 0.00 C ATOM 631 CG PRO A 44 -13.265 1.464 -6.726 1.00 0.00 C ATOM 632 CD PRO A 44 -12.461 2.511 -6.005 1.00 0.00 C ATOM 0 HA PRO A 44 -12.129 3.487 -9.097 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -13.856 1.333 -8.780 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.133 1.145 -8.516 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.326 1.557 -6.492 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -12.959 0.462 -6.426 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -12.953 2.834 -5.087 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.476 2.139 -5.725 1.00 0.00 H new ATOM 640 N SER A 45 -14.468 3.831 -9.990 1.00 0.00 N ATOM 641 CA SER A 45 -15.699 4.435 -10.488 1.00 0.00 C ATOM 642 C SER A 45 -16.878 3.482 -10.320 1.00 0.00 C ATOM 643 O SER A 45 -18.034 3.903 -10.321 1.00 0.00 O ATOM 644 CB SER A 45 -15.544 4.818 -11.962 1.00 0.00 C ATOM 645 OG SER A 45 -15.015 6.126 -12.096 1.00 0.00 O ATOM 0 H SER A 45 -13.893 3.392 -10.709 1.00 0.00 H new ATOM 0 HA SER A 45 -15.895 5.335 -9.905 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.888 4.104 -12.459 1.00 0.00 H new ATOM 0 HB3 SER A 45 -16.512 4.761 -12.460 1.00 0.00 H new ATOM 0 HG SER A 45 -14.924 6.346 -13.047 1.00 0.00 H new ATOM 651 N GLU A 46 -16.576 2.196 -10.177 1.00 0.00 N ATOM 652 CA GLU A 46 -17.611 1.182 -10.009 1.00 0.00 C ATOM 653 C GLU A 46 -17.757 0.793 -8.540 1.00 0.00 C ATOM 654 O GLU A 46 -17.960 -0.377 -8.215 1.00 0.00 O ATOM 655 CB GLU A 46 -17.285 -0.056 -10.846 1.00 0.00 C ATOM 656 CG GLU A 46 -17.094 0.242 -12.324 1.00 0.00 C ATOM 657 CD GLU A 46 -17.366 -0.963 -13.202 1.00 0.00 C ATOM 658 OE1 GLU A 46 -18.553 -1.290 -13.411 1.00 0.00 O ATOM 659 OE2 GLU A 46 -16.392 -1.580 -13.681 1.00 0.00 O ATOM 0 H GLU A 46 -15.623 1.831 -10.174 1.00 0.00 H new ATOM 0 HA GLU A 46 -18.556 1.604 -10.352 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.378 -0.519 -10.457 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -18.088 -0.784 -10.731 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -17.758 1.056 -12.615 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.074 0.587 -12.492 1.00 0.00 H new ATOM 666 N ALA A 47 -17.652 1.781 -7.658 1.00 0.00 N ATOM 667 CA ALA A 47 -17.774 1.543 -6.226 1.00 0.00 C ATOM 668 C ALA A 47 -18.980 0.663 -5.916 1.00 0.00 C ATOM 669 O ALA A 47 -18.925 -0.195 -5.035 1.00 0.00 O ATOM 670 CB ALA A 47 -17.876 2.864 -5.478 1.00 0.00 C ATOM 0 H ALA A 47 -17.483 2.755 -7.911 1.00 0.00 H new ATOM 0 HA ALA A 47 -16.879 1.018 -5.893 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -17.967 2.671 -4.409 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -16.981 3.458 -5.665 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -18.753 3.411 -5.824 1.00 0.00 H new ATOM 676 N ASN A 48 -20.069 0.881 -6.646 1.00 0.00 N ATOM 677 CA ASN A 48 -21.290 0.109 -6.448 1.00 0.00 C ATOM 678 C ASN A 48 -21.539 -0.144 -4.964 1.00 0.00 C ATOM 679 O ASN A 48 -22.205 -1.109 -4.591 1.00 0.00 O ATOM 680 CB ASN A 48 -21.202 -1.223 -7.196 1.00 0.00 C ATOM 681 CG ASN A 48 -20.444 -1.103 -8.503 1.00 0.00 C ATOM 682 OD1 ASN A 48 -20.406 -0.036 -9.116 1.00 0.00 O ATOM 683 ND2 ASN A 48 -19.835 -2.201 -8.937 1.00 0.00 N ATOM 0 H ASN A 48 -20.131 1.586 -7.380 1.00 0.00 H new ATOM 0 HA ASN A 48 -22.125 0.687 -6.845 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -20.712 -1.961 -6.561 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -22.208 -1.592 -7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -19.309 -2.181 -9.811 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -19.893 -3.064 -8.396 1.00 0.00 H new ATOM 690 N GLY A 49 -20.999 0.731 -4.121 1.00 0.00 N ATOM 691 CA GLY A 49 -21.174 0.586 -2.688 1.00 0.00 C ATOM 692 C GLY A 49 -20.157 1.384 -1.896 1.00 0.00 C ATOM 693 O GLY A 49 -19.009 1.531 -2.315 1.00 0.00 O ATOM 0 H GLY A 49 -20.443 1.538 -4.405 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -22.178 0.909 -2.413 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -21.093 -0.467 -2.420 1.00 0.00 H new ATOM 697 N LYS A 50 -20.579 1.902 -0.747 1.00 0.00 N ATOM 698 CA LYS A 50 -19.698 2.690 0.106 1.00 0.00 C ATOM 699 C LYS A 50 -18.365 1.978 0.317 1.00 0.00 C ATOM 700 O LYS A 50 -18.320 0.756 0.461 1.00 0.00 O ATOM 701 CB LYS A 50 -20.366 2.956 1.457 1.00 0.00 C ATOM 702 CG LYS A 50 -19.876 4.221 2.140 1.00 0.00 C ATOM 703 CD LYS A 50 -20.654 5.441 1.677 1.00 0.00 C ATOM 704 CE LYS A 50 -20.131 5.965 0.348 1.00 0.00 C ATOM 705 NZ LYS A 50 -20.446 7.408 0.158 1.00 0.00 N ATOM 0 H LYS A 50 -21.526 1.790 -0.385 1.00 0.00 H new ATOM 0 HA LYS A 50 -19.507 3.641 -0.391 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -21.444 3.026 1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -20.187 2.105 2.115 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.974 4.114 3.220 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -18.816 4.362 1.929 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -21.709 5.185 1.579 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.585 6.225 2.431 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.052 5.819 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.567 5.388 -0.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -20.073 7.727 -0.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.477 7.544 0.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.008 7.962 0.921 1.00 0.00 H new ATOM 719 N ILE A 51 -17.284 2.750 0.337 1.00 0.00 N ATOM 720 CA ILE A 51 -15.952 2.193 0.533 1.00 0.00 C ATOM 721 C ILE A 51 -15.499 2.346 1.981 1.00 0.00 C ATOM 722 O ILE A 51 -15.358 3.461 2.485 1.00 0.00 O ATOM 723 CB ILE A 51 -14.918 2.865 -0.390 1.00 0.00 C ATOM 724 CG1 ILE A 51 -15.379 2.791 -1.847 1.00 0.00 C ATOM 725 CG2 ILE A 51 -13.555 2.209 -0.225 1.00 0.00 C ATOM 726 CD1 ILE A 51 -15.190 1.426 -2.472 1.00 0.00 C ATOM 0 H ILE A 51 -17.305 3.763 0.220 1.00 0.00 H new ATOM 0 HA ILE A 51 -16.014 1.134 0.284 1.00 0.00 H new ATOM 0 HB ILE A 51 -14.830 3.915 -0.110 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -16.433 3.063 -1.900 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.829 3.529 -2.432 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.835 2.695 -0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -13.226 2.309 0.809 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -13.626 1.152 -0.482 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -15.538 1.447 -3.505 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -14.133 1.159 -2.451 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -15.762 0.687 -1.911 1.00 0.00 H new ATOM 738 N THR A 52 -15.272 1.219 2.648 1.00 0.00 N ATOM 739 CA THR A 52 -14.834 1.227 4.038 1.00 0.00 C ATOM 740 C THR A 52 -13.364 1.613 4.150 1.00 0.00 C ATOM 741 O THR A 52 -12.998 2.480 4.943 1.00 0.00 O ATOM 742 CB THR A 52 -15.044 -0.147 4.701 1.00 0.00 C ATOM 743 OG1 THR A 52 -14.041 -1.066 4.253 1.00 0.00 O ATOM 744 CG2 THR A 52 -16.425 -0.698 4.379 1.00 0.00 C ATOM 0 H THR A 52 -15.384 0.288 2.247 1.00 0.00 H new ATOM 0 HA THR A 52 -15.442 1.969 4.556 1.00 0.00 H new ATOM 0 HB THR A 52 -14.964 -0.021 5.781 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.086 -1.150 3.278 1.00 0.00 H new ATOM 0 HG21 THR A 52 -16.550 -1.669 4.858 1.00 0.00 H new ATOM 0 HG22 THR A 52 -17.186 -0.011 4.748 1.00 0.00 H new ATOM 0 HG23 THR A 52 -16.530 -0.810 3.300 1.00 0.00 H new ATOM 752 N GLY A 53 -12.524 0.965 3.348 1.00 0.00 N ATOM 753 CA GLY A 53 -11.102 1.256 3.373 1.00 0.00 C ATOM 754 C GLY A 53 -10.370 0.669 2.182 1.00 0.00 C ATOM 755 O GLY A 53 -10.972 0.412 1.139 1.00 0.00 O ATOM 0 H GLY A 53 -12.803 0.244 2.682 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -10.955 2.336 3.390 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.669 0.861 4.292 1.00 0.00 H new ATOM 759 N TYR A 54 -9.068 0.458 2.336 1.00 0.00 N ATOM 760 CA TYR A 54 -8.251 -0.098 1.264 1.00 0.00 C ATOM 761 C TYR A 54 -7.064 -0.872 1.828 1.00 0.00 C ATOM 762 O TYR A 54 -6.631 -0.631 2.956 1.00 0.00 O ATOM 763 CB TYR A 54 -7.756 1.017 0.341 1.00 0.00 C ATOM 764 CG TYR A 54 -8.835 1.998 -0.057 1.00 0.00 C ATOM 765 CD1 TYR A 54 -9.290 2.961 0.836 1.00 0.00 C ATOM 766 CD2 TYR A 54 -9.399 1.963 -1.326 1.00 0.00 C ATOM 767 CE1 TYR A 54 -10.276 3.859 0.477 1.00 0.00 C ATOM 768 CE2 TYR A 54 -10.385 2.858 -1.694 1.00 0.00 C ATOM 769 CZ TYR A 54 -10.820 3.803 -0.789 1.00 0.00 C ATOM 770 OH TYR A 54 -11.802 4.697 -1.152 1.00 0.00 O ATOM 0 H TYR A 54 -8.555 0.664 3.193 1.00 0.00 H new ATOM 0 HA TYR A 54 -8.870 -0.787 0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.951 1.558 0.838 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.333 0.571 -0.559 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -8.865 3.008 1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -9.061 1.224 -2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -10.619 4.601 1.183 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.813 2.818 -2.685 1.00 0.00 H new ATOM 0 HH TYR A 54 -11.676 5.537 -0.664 1.00 0.00 H new ATOM 780 N ILE A 55 -6.542 -1.802 1.036 1.00 0.00 N ATOM 781 CA ILE A 55 -5.404 -2.611 1.454 1.00 0.00 C ATOM 782 C ILE A 55 -4.245 -2.479 0.472 1.00 0.00 C ATOM 783 O ILE A 55 -4.446 -2.461 -0.743 1.00 0.00 O ATOM 784 CB ILE A 55 -5.786 -4.097 1.583 1.00 0.00 C ATOM 785 CG1 ILE A 55 -6.956 -4.263 2.555 1.00 0.00 C ATOM 786 CG2 ILE A 55 -4.588 -4.914 2.044 1.00 0.00 C ATOM 787 CD1 ILE A 55 -7.694 -5.574 2.395 1.00 0.00 C ATOM 0 H ILE A 55 -6.889 -2.014 0.101 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.094 -2.238 2.430 1.00 0.00 H new ATOM 0 HB ILE A 55 -6.096 -4.463 0.604 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.583 -4.188 3.576 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -7.657 -3.441 2.411 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.874 -5.962 2.130 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.780 -4.817 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.250 -4.549 3.014 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.510 -5.623 3.116 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.098 -5.643 1.385 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -7.007 -6.402 2.569 1.00 0.00 H new ATOM 799 N ILE A 56 -3.031 -2.388 1.006 1.00 0.00 N ATOM 800 CA ILE A 56 -1.840 -2.261 0.176 1.00 0.00 C ATOM 801 C ILE A 56 -0.898 -3.443 0.381 1.00 0.00 C ATOM 802 O ILE A 56 -0.571 -3.800 1.513 1.00 0.00 O ATOM 803 CB ILE A 56 -1.080 -0.956 0.478 1.00 0.00 C ATOM 804 CG1 ILE A 56 -1.958 0.256 0.161 1.00 0.00 C ATOM 805 CG2 ILE A 56 0.215 -0.901 -0.318 1.00 0.00 C ATOM 806 CD1 ILE A 56 -1.412 1.557 0.705 1.00 0.00 C ATOM 0 H ILE A 56 -2.847 -2.400 2.009 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.178 -2.244 -0.860 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.833 -0.934 1.539 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.068 0.342 -0.920 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -2.954 0.090 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.741 0.027 -0.094 1.00 0.00 H new ATOM 0 HG22 ILE A 56 0.844 -1.749 -0.048 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.011 -0.942 -1.384 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.086 2.373 0.442 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -1.328 1.491 1.790 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.428 1.747 0.276 1.00 0.00 H new ATOM 818 N TYR A 57 -0.466 -4.046 -0.721 1.00 0.00 N ATOM 819 CA TYR A 57 0.438 -5.189 -0.662 1.00 0.00 C ATOM 820 C TYR A 57 1.755 -4.879 -1.368 1.00 0.00 C ATOM 821 O TYR A 57 1.771 -4.518 -2.545 1.00 0.00 O ATOM 822 CB TYR A 57 -0.217 -6.417 -1.297 1.00 0.00 C ATOM 823 CG TYR A 57 -1.663 -6.605 -0.898 1.00 0.00 C ATOM 824 CD1 TYR A 57 -2.657 -5.776 -1.404 1.00 0.00 C ATOM 825 CD2 TYR A 57 -2.036 -7.612 -0.016 1.00 0.00 C ATOM 826 CE1 TYR A 57 -3.980 -5.944 -1.042 1.00 0.00 C ATOM 827 CE2 TYR A 57 -3.356 -7.788 0.350 1.00 0.00 C ATOM 828 CZ TYR A 57 -4.324 -6.951 -0.166 1.00 0.00 C ATOM 829 OH TYR A 57 -5.641 -7.123 0.198 1.00 0.00 O ATOM 0 H TYR A 57 -0.727 -3.763 -1.665 1.00 0.00 H new ATOM 0 HA TYR A 57 0.649 -5.399 0.386 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -0.156 -6.331 -2.382 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.348 -7.306 -1.016 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -2.391 -4.987 -2.092 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -1.281 -8.268 0.390 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -4.740 -5.290 -1.443 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -3.629 -8.576 1.036 1.00 0.00 H new ATOM 0 HH TYR A 57 -6.222 -6.690 -0.462 1.00 0.00 H new ATOM 839 N TYR A 58 2.856 -5.022 -0.641 1.00 0.00 N ATOM 840 CA TYR A 58 4.179 -4.757 -1.195 1.00 0.00 C ATOM 841 C TYR A 58 5.149 -5.882 -0.852 1.00 0.00 C ATOM 842 O TYR A 58 5.171 -6.377 0.275 1.00 0.00 O ATOM 843 CB TYR A 58 4.717 -3.425 -0.668 1.00 0.00 C ATOM 844 CG TYR A 58 5.140 -3.475 0.783 1.00 0.00 C ATOM 845 CD1 TYR A 58 6.267 -4.185 1.175 1.00 0.00 C ATOM 846 CD2 TYR A 58 4.411 -2.810 1.762 1.00 0.00 C ATOM 847 CE1 TYR A 58 6.656 -4.234 2.500 1.00 0.00 C ATOM 848 CE2 TYR A 58 4.793 -2.852 3.089 1.00 0.00 C ATOM 849 CZ TYR A 58 5.916 -3.566 3.453 1.00 0.00 C ATOM 850 OH TYR A 58 6.301 -3.610 4.773 1.00 0.00 O ATOM 0 H TYR A 58 2.860 -5.320 0.334 1.00 0.00 H new ATOM 0 HA TYR A 58 4.087 -4.701 -2.280 1.00 0.00 H new ATOM 0 HB2 TYR A 58 5.569 -3.121 -1.276 1.00 0.00 H new ATOM 0 HB3 TYR A 58 3.950 -2.660 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.850 -4.708 0.431 1.00 0.00 H new ATOM 0 HD2 TYR A 58 3.531 -2.251 1.480 1.00 0.00 H new ATOM 0 HE1 TYR A 58 7.535 -4.792 2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 58 4.216 -2.329 3.837 1.00 0.00 H new ATOM 0 HH TYR A 58 5.674 -3.087 5.314 1.00 0.00 H new ATOM 860 N SER A 59 5.952 -6.282 -1.834 1.00 0.00 N ATOM 861 CA SER A 59 6.924 -7.351 -1.639 1.00 0.00 C ATOM 862 C SER A 59 8.081 -7.220 -2.625 1.00 0.00 C ATOM 863 O SER A 59 7.913 -6.712 -3.734 1.00 0.00 O ATOM 864 CB SER A 59 6.252 -8.716 -1.802 1.00 0.00 C ATOM 865 OG SER A 59 7.136 -9.765 -1.449 1.00 0.00 O ATOM 0 H SER A 59 5.948 -5.882 -2.772 1.00 0.00 H new ATOM 0 HA SER A 59 7.321 -7.268 -0.627 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.360 -8.762 -1.178 1.00 0.00 H new ATOM 0 HB3 SER A 59 5.926 -8.843 -2.834 1.00 0.00 H new ATOM 0 HG SER A 59 6.618 -10.555 -1.189 1.00 0.00 H new ATOM 871 N THR A 60 9.257 -7.683 -2.212 1.00 0.00 N ATOM 872 CA THR A 60 10.443 -7.618 -3.057 1.00 0.00 C ATOM 873 C THR A 60 10.238 -8.393 -4.353 1.00 0.00 C ATOM 874 O THR A 60 10.649 -7.949 -5.425 1.00 0.00 O ATOM 875 CB THR A 60 11.682 -8.173 -2.330 1.00 0.00 C ATOM 876 OG1 THR A 60 11.414 -9.493 -1.844 1.00 0.00 O ATOM 877 CG2 THR A 60 12.079 -7.272 -1.170 1.00 0.00 C ATOM 0 H THR A 60 9.413 -8.107 -1.298 1.00 0.00 H new ATOM 0 HA THR A 60 10.608 -6.566 -3.289 1.00 0.00 H new ATOM 0 HB THR A 60 12.507 -8.208 -3.041 1.00 0.00 H new ATOM 0 HG1 THR A 60 12.207 -9.840 -1.384 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.956 -7.685 -0.672 1.00 0.00 H new ATOM 0 HG22 THR A 60 12.311 -6.275 -1.546 1.00 0.00 H new ATOM 0 HG23 THR A 60 11.255 -7.209 -0.459 1.00 0.00 H new ATOM 885 N ASP A 61 9.601 -9.554 -4.248 1.00 0.00 N ATOM 886 CA ASP A 61 9.340 -10.391 -5.413 1.00 0.00 C ATOM 887 C ASP A 61 8.020 -10.006 -6.074 1.00 0.00 C ATOM 888 O ASP A 61 7.055 -9.650 -5.398 1.00 0.00 O ATOM 889 CB ASP A 61 9.312 -11.867 -5.012 1.00 0.00 C ATOM 890 CG ASP A 61 10.693 -12.493 -5.012 1.00 0.00 C ATOM 891 OD1 ASP A 61 11.397 -12.374 -6.036 1.00 0.00 O ATOM 892 OD2 ASP A 61 11.069 -13.103 -3.989 1.00 0.00 O ATOM 0 H ASP A 61 9.256 -9.937 -3.368 1.00 0.00 H new ATOM 0 HA ASP A 61 10.145 -10.233 -6.131 1.00 0.00 H new ATOM 0 HB2 ASP A 61 8.873 -11.962 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.668 -12.415 -5.699 1.00 0.00 H new ATOM 897 N VAL A 62 7.985 -10.079 -7.401 1.00 0.00 N ATOM 898 CA VAL A 62 6.784 -9.738 -8.154 1.00 0.00 C ATOM 899 C VAL A 62 5.987 -10.988 -8.513 1.00 0.00 C ATOM 900 O VAL A 62 4.841 -10.901 -8.951 1.00 0.00 O ATOM 901 CB VAL A 62 7.129 -8.975 -9.446 1.00 0.00 C ATOM 902 CG1 VAL A 62 8.063 -9.798 -10.320 1.00 0.00 C ATOM 903 CG2 VAL A 62 5.862 -8.609 -10.204 1.00 0.00 C ATOM 0 H VAL A 62 8.775 -10.371 -7.977 1.00 0.00 H new ATOM 0 HA VAL A 62 6.180 -9.097 -7.512 1.00 0.00 H new ATOM 0 HB VAL A 62 7.642 -8.052 -9.175 1.00 0.00 H new ATOM 0 HG11 VAL A 62 8.295 -9.242 -11.228 1.00 0.00 H new ATOM 0 HG12 VAL A 62 8.984 -10.004 -9.775 1.00 0.00 H new ATOM 0 HG13 VAL A 62 7.580 -10.739 -10.584 1.00 0.00 H new ATOM 0 HG21 VAL A 62 6.125 -8.070 -11.114 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.319 -9.517 -10.464 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.233 -7.977 -9.577 1.00 0.00 H new ATOM 913 N ASN A 63 6.603 -12.150 -8.323 1.00 0.00 N ATOM 914 CA ASN A 63 5.951 -13.419 -8.626 1.00 0.00 C ATOM 915 C ASN A 63 5.550 -14.144 -7.345 1.00 0.00 C ATOM 916 O ASN A 63 4.776 -15.101 -7.378 1.00 0.00 O ATOM 917 CB ASN A 63 6.878 -14.306 -9.459 1.00 0.00 C ATOM 918 CG ASN A 63 7.793 -13.501 -10.362 1.00 0.00 C ATOM 919 OD1 ASN A 63 8.933 -13.206 -10.004 1.00 0.00 O ATOM 920 ND2 ASN A 63 7.294 -13.140 -11.538 1.00 0.00 N ATOM 0 H ASN A 63 7.552 -12.239 -7.961 1.00 0.00 H new ATOM 0 HA ASN A 63 5.049 -13.208 -9.200 1.00 0.00 H new ATOM 0 HB2 ASN A 63 7.481 -14.923 -8.793 1.00 0.00 H new ATOM 0 HB3 ASN A 63 6.278 -14.984 -10.066 1.00 0.00 H new ATOM 0 HD21 ASN A 63 7.862 -12.595 -12.187 1.00 0.00 H new ATOM 0 HD22 ASN A 63 6.343 -13.407 -11.792 1.00 0.00 H new ATOM 927 N ALA A 64 6.081 -13.682 -6.219 1.00 0.00 N ATOM 928 CA ALA A 64 5.776 -14.284 -4.927 1.00 0.00 C ATOM 929 C ALA A 64 4.271 -14.425 -4.728 1.00 0.00 C ATOM 930 O ALA A 64 3.511 -13.494 -4.994 1.00 0.00 O ATOM 931 CB ALA A 64 6.384 -13.458 -3.803 1.00 0.00 C ATOM 0 H ALA A 64 6.725 -12.892 -6.175 1.00 0.00 H new ATOM 0 HA ALA A 64 6.213 -15.282 -4.907 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.148 -13.919 -2.844 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.466 -13.414 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.974 -12.448 -3.831 1.00 0.00 H new ATOM 937 N GLU A 65 3.848 -15.594 -4.259 1.00 0.00 N ATOM 938 CA GLU A 65 2.432 -15.856 -4.026 1.00 0.00 C ATOM 939 C GLU A 65 1.782 -14.700 -3.272 1.00 0.00 C ATOM 940 O GLU A 65 2.311 -14.225 -2.267 1.00 0.00 O ATOM 941 CB GLU A 65 2.254 -17.156 -3.239 1.00 0.00 C ATOM 942 CG GLU A 65 2.227 -18.398 -4.114 1.00 0.00 C ATOM 943 CD GLU A 65 2.437 -19.674 -3.323 1.00 0.00 C ATOM 944 OE1 GLU A 65 1.507 -20.080 -2.595 1.00 0.00 O ATOM 945 OE2 GLU A 65 3.531 -20.267 -3.431 1.00 0.00 O ATOM 0 H GLU A 65 4.465 -16.374 -4.033 1.00 0.00 H new ATOM 0 HA GLU A 65 1.943 -15.956 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.066 -17.248 -2.517 1.00 0.00 H new ATOM 0 HB3 GLU A 65 1.326 -17.102 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.270 -18.451 -4.634 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.001 -18.317 -4.877 1.00 0.00 H new ATOM 952 N ILE A 66 0.632 -14.252 -3.765 1.00 0.00 N ATOM 953 CA ILE A 66 -0.091 -13.152 -3.139 1.00 0.00 C ATOM 954 C ILE A 66 -0.090 -13.289 -1.620 1.00 0.00 C ATOM 955 O ILE A 66 -0.181 -12.296 -0.896 1.00 0.00 O ATOM 956 CB ILE A 66 -1.546 -13.079 -3.636 1.00 0.00 C ATOM 957 CG1 ILE A 66 -2.211 -11.791 -3.147 1.00 0.00 C ATOM 958 CG2 ILE A 66 -2.328 -14.297 -3.167 1.00 0.00 C ATOM 959 CD1 ILE A 66 -1.635 -10.539 -3.770 1.00 0.00 C ATOM 0 H ILE A 66 0.181 -14.634 -4.596 1.00 0.00 H new ATOM 0 HA ILE A 66 0.426 -12.234 -3.420 1.00 0.00 H new ATOM 0 HB ILE A 66 -1.542 -13.072 -4.726 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -3.278 -11.837 -3.365 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -2.109 -11.728 -2.064 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -3.355 -14.231 -3.526 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -1.864 -15.201 -3.560 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -2.327 -14.333 -2.078 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -2.154 -9.665 -3.377 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -0.574 -10.469 -3.531 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -1.761 -10.580 -4.852 1.00 0.00 H new ATOM 971 N HIS A 67 0.013 -14.525 -1.142 1.00 0.00 N ATOM 972 CA HIS A 67 0.028 -14.792 0.291 1.00 0.00 C ATOM 973 C HIS A 67 1.323 -14.293 0.924 1.00 0.00 C ATOM 974 O HIS A 67 1.311 -13.707 2.007 1.00 0.00 O ATOM 975 CB HIS A 67 -0.138 -16.289 0.555 1.00 0.00 C ATOM 976 CG HIS A 67 1.153 -17.047 0.535 1.00 0.00 C ATOM 977 ND1 HIS A 67 1.406 -18.080 -0.343 1.00 0.00 N ATOM 978 CD2 HIS A 67 2.268 -16.917 1.292 1.00 0.00 C ATOM 979 CE1 HIS A 67 2.620 -18.553 -0.124 1.00 0.00 C ATOM 980 NE2 HIS A 67 3.164 -17.864 0.863 1.00 0.00 N ATOM 0 H HIS A 67 0.087 -15.357 -1.727 1.00 0.00 H new ATOM 0 HA HIS A 67 -0.807 -14.256 0.743 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -0.616 -16.428 1.525 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -0.809 -16.710 -0.194 1.00 0.00 H new ATOM 0 HD1 HIS A 67 0.757 -18.425 -1.051 1.00 0.00 H new ATOM 0 HD2 HIS A 67 2.423 -16.201 2.086 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.088 -19.365 -0.661 1.00 0.00 H new ATOM 989 N ASP A 68 2.438 -14.529 0.242 1.00 0.00 N ATOM 990 CA ASP A 68 3.742 -14.103 0.736 1.00 0.00 C ATOM 991 C ASP A 68 3.802 -12.585 0.875 1.00 0.00 C ATOM 992 O ASP A 68 4.599 -12.054 1.648 1.00 0.00 O ATOM 993 CB ASP A 68 4.850 -14.586 -0.201 1.00 0.00 C ATOM 994 CG ASP A 68 6.155 -13.846 0.015 1.00 0.00 C ATOM 995 OD1 ASP A 68 6.298 -12.727 -0.521 1.00 0.00 O ATOM 996 OD2 ASP A 68 7.034 -14.386 0.719 1.00 0.00 O ATOM 0 H ASP A 68 2.465 -15.013 -0.655 1.00 0.00 H new ATOM 0 HA ASP A 68 3.891 -14.546 1.721 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.011 -15.653 -0.048 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.529 -14.457 -1.235 1.00 0.00 H new ATOM 1001 N TRP A 69 2.955 -11.894 0.121 1.00 0.00 N ATOM 1002 CA TRP A 69 2.912 -10.437 0.159 1.00 0.00 C ATOM 1003 C TRP A 69 2.358 -9.943 1.491 1.00 0.00 C ATOM 1004 O TRP A 69 1.477 -10.571 2.079 1.00 0.00 O ATOM 1005 CB TRP A 69 2.059 -9.901 -0.992 1.00 0.00 C ATOM 1006 CG TRP A 69 2.717 -10.037 -2.332 1.00 0.00 C ATOM 1007 CD1 TRP A 69 3.212 -11.182 -2.889 1.00 0.00 C ATOM 1008 CD2 TRP A 69 2.952 -8.992 -3.281 1.00 0.00 C ATOM 1009 NE1 TRP A 69 3.741 -10.910 -4.128 1.00 0.00 N ATOM 1010 CE2 TRP A 69 3.593 -9.574 -4.392 1.00 0.00 C ATOM 1011 CE3 TRP A 69 2.681 -7.621 -3.302 1.00 0.00 C ATOM 1012 CZ2 TRP A 69 3.968 -8.832 -5.509 1.00 0.00 C ATOM 1013 CZ3 TRP A 69 3.054 -6.885 -4.411 1.00 0.00 C ATOM 1014 CH2 TRP A 69 3.691 -7.492 -5.502 1.00 0.00 C ATOM 0 H TRP A 69 2.289 -12.319 -0.524 1.00 0.00 H new ATOM 0 HA TRP A 69 3.931 -10.066 0.050 1.00 0.00 H new ATOM 0 HB2 TRP A 69 1.107 -10.432 -1.007 1.00 0.00 H new ATOM 0 HB3 TRP A 69 1.835 -8.850 -0.810 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.191 -12.157 -2.424 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.174 -11.593 -4.750 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.189 -7.145 -2.467 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 4.460 -9.297 -6.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 2.851 -5.825 -4.437 1.00 0.00 H new ATOM 0 HH2 TRP A 69 3.969 -6.890 -6.354 1.00 0.00 H new ATOM 1025 N VAL A 70 2.880 -8.815 1.963 1.00 0.00 N ATOM 1026 CA VAL A 70 2.436 -8.237 3.225 1.00 0.00 C ATOM 1027 C VAL A 70 1.085 -7.547 3.069 1.00 0.00 C ATOM 1028 O VAL A 70 0.720 -7.117 1.975 1.00 0.00 O ATOM 1029 CB VAL A 70 3.459 -7.221 3.768 1.00 0.00 C ATOM 1030 CG1 VAL A 70 3.383 -5.918 2.987 1.00 0.00 C ATOM 1031 CG2 VAL A 70 3.232 -6.978 5.252 1.00 0.00 C ATOM 0 H VAL A 70 3.611 -8.284 1.490 1.00 0.00 H new ATOM 0 HA VAL A 70 2.341 -9.060 3.933 1.00 0.00 H new ATOM 0 HB VAL A 70 4.459 -7.635 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.113 -5.212 3.385 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.600 -6.110 1.936 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.382 -5.496 3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.963 -6.258 5.619 1.00 0.00 H new ATOM 0 HG22 VAL A 70 2.227 -6.585 5.407 1.00 0.00 H new ATOM 0 HG23 VAL A 70 3.343 -7.916 5.795 1.00 0.00 H new ATOM 1041 N ILE A 71 0.349 -7.445 4.170 1.00 0.00 N ATOM 1042 CA ILE A 71 -0.961 -6.806 4.156 1.00 0.00 C ATOM 1043 C ILE A 71 -0.940 -5.491 4.929 1.00 0.00 C ATOM 1044 O ILE A 71 -0.846 -5.483 6.156 1.00 0.00 O ATOM 1045 CB ILE A 71 -2.042 -7.724 4.756 1.00 0.00 C ATOM 1046 CG1 ILE A 71 -2.144 -9.021 3.952 1.00 0.00 C ATOM 1047 CG2 ILE A 71 -3.384 -7.009 4.791 1.00 0.00 C ATOM 1048 CD1 ILE A 71 -2.915 -10.113 4.661 1.00 0.00 C ATOM 0 H ILE A 71 0.637 -7.797 5.083 1.00 0.00 H new ATOM 0 HA ILE A 71 -1.204 -6.607 3.112 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.759 -7.974 5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -2.624 -8.810 2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -1.139 -9.382 3.731 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -4.138 -7.671 5.218 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.302 -6.111 5.403 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -3.676 -6.733 3.778 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.947 -11.003 4.032 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.423 -10.352 5.604 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.931 -9.772 4.858 1.00 0.00 H new ATOM 1060 N GLU A 72 -1.029 -4.382 4.202 1.00 0.00 N ATOM 1061 CA GLU A 72 -1.021 -3.061 4.820 1.00 0.00 C ATOM 1062 C GLU A 72 -2.399 -2.411 4.733 1.00 0.00 C ATOM 1063 O GLU A 72 -2.705 -1.668 3.800 1.00 0.00 O ATOM 1064 CB GLU A 72 0.021 -2.165 4.148 1.00 0.00 C ATOM 1065 CG GLU A 72 1.396 -2.244 4.789 1.00 0.00 C ATOM 1066 CD GLU A 72 1.420 -1.669 6.192 1.00 0.00 C ATOM 1067 OE1 GLU A 72 1.626 -0.445 6.327 1.00 0.00 O ATOM 1068 OE2 GLU A 72 1.233 -2.442 7.154 1.00 0.00 O ATOM 0 H GLU A 72 -1.107 -4.372 3.185 1.00 0.00 H new ATOM 0 HA GLU A 72 -0.761 -3.182 5.872 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.103 -2.443 3.097 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.326 -1.132 4.179 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.718 -3.285 4.821 1.00 0.00 H new ATOM 0 HG3 GLU A 72 2.113 -1.707 4.168 1.00 0.00 H new ATOM 1075 N PRO A 73 -3.252 -2.698 5.728 1.00 0.00 N ATOM 1076 CA PRO A 73 -4.611 -2.152 5.787 1.00 0.00 C ATOM 1077 C PRO A 73 -4.623 -0.655 6.076 1.00 0.00 C ATOM 1078 O PRO A 73 -3.832 -0.162 6.881 1.00 0.00 O ATOM 1079 CB PRO A 73 -5.254 -2.925 6.941 1.00 0.00 C ATOM 1080 CG PRO A 73 -4.112 -3.339 7.803 1.00 0.00 C ATOM 1081 CD PRO A 73 -2.955 -3.576 6.871 1.00 0.00 C ATOM 0 HA PRO A 73 -5.136 -2.262 4.838 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -5.959 -2.301 7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -5.809 -3.790 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.873 -2.565 8.533 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -4.353 -4.242 8.363 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.004 -3.320 7.338 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -2.890 -4.621 6.569 1.00 0.00 H new ATOM 1089 N VAL A 74 -5.525 0.064 5.416 1.00 0.00 N ATOM 1090 CA VAL A 74 -5.641 1.505 5.604 1.00 0.00 C ATOM 1091 C VAL A 74 -6.930 1.862 6.336 1.00 0.00 C ATOM 1092 O VAL A 74 -8.026 1.529 5.885 1.00 0.00 O ATOM 1093 CB VAL A 74 -5.605 2.251 4.258 1.00 0.00 C ATOM 1094 CG1 VAL A 74 -5.634 3.756 4.480 1.00 0.00 C ATOM 1095 CG2 VAL A 74 -4.376 1.847 3.458 1.00 0.00 C ATOM 0 H VAL A 74 -6.186 -0.328 4.746 1.00 0.00 H new ATOM 0 HA VAL A 74 -4.787 1.815 6.206 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.491 1.975 3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.608 4.266 3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -6.547 4.028 5.010 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.768 4.053 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.367 2.384 2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.477 2.093 4.023 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -4.402 0.774 3.267 1.00 0.00 H new ATOM 1105 N VAL A 75 -6.791 2.543 7.469 1.00 0.00 N ATOM 1106 CA VAL A 75 -7.944 2.948 8.264 1.00 0.00 C ATOM 1107 C VAL A 75 -8.651 4.145 7.638 1.00 0.00 C ATOM 1108 O VAL A 75 -8.071 4.868 6.829 1.00 0.00 O ATOM 1109 CB VAL A 75 -7.536 3.304 9.706 1.00 0.00 C ATOM 1110 CG1 VAL A 75 -6.912 2.101 10.397 1.00 0.00 C ATOM 1111 CG2 VAL A 75 -6.580 4.487 9.711 1.00 0.00 C ATOM 0 H VAL A 75 -5.891 2.826 7.857 1.00 0.00 H new ATOM 0 HA VAL A 75 -8.626 2.098 8.287 1.00 0.00 H new ATOM 0 HB VAL A 75 -8.431 3.586 10.260 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.630 2.372 11.415 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -7.632 1.283 10.425 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.026 1.785 9.847 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.302 4.726 10.738 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.685 4.234 9.142 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.067 5.350 9.257 1.00 0.00 H new ATOM 1121 N GLY A 76 -9.909 4.348 8.018 1.00 0.00 N ATOM 1122 CA GLY A 76 -10.675 5.459 7.484 1.00 0.00 C ATOM 1123 C GLY A 76 -10.721 5.456 5.969 1.00 0.00 C ATOM 1124 O GLY A 76 -10.247 4.519 5.329 1.00 0.00 O ATOM 0 H GLY A 76 -10.411 3.763 8.686 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.691 5.417 7.875 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -10.239 6.396 7.829 1.00 0.00 H new ATOM 1128 N ASN A 77 -11.296 6.508 5.394 1.00 0.00 N ATOM 1129 CA ASN A 77 -11.404 6.622 3.944 1.00 0.00 C ATOM 1130 C ASN A 77 -10.151 7.261 3.353 1.00 0.00 C ATOM 1131 O ASN A 77 -10.226 8.026 2.392 1.00 0.00 O ATOM 1132 CB ASN A 77 -12.637 7.446 3.567 1.00 0.00 C ATOM 1133 CG ASN A 77 -12.698 8.767 4.310 1.00 0.00 C ATOM 1134 OD1 ASN A 77 -11.669 9.385 4.586 1.00 0.00 O ATOM 1135 ND2 ASN A 77 -13.907 9.207 4.637 1.00 0.00 N ATOM 0 H ASN A 77 -11.694 7.293 5.910 1.00 0.00 H new ATOM 0 HA ASN A 77 -11.506 5.618 3.532 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -12.630 7.636 2.494 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.536 6.869 3.783 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -14.010 10.090 5.137 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -14.733 8.662 4.388 1.00 0.00 H new ATOM 1142 N ARG A 78 -9.000 6.941 3.935 1.00 0.00 N ATOM 1143 CA ARG A 78 -7.730 7.484 3.467 1.00 0.00 C ATOM 1144 C ARG A 78 -7.312 6.832 2.152 1.00 0.00 C ATOM 1145 O ARG A 78 -7.574 5.651 1.921 1.00 0.00 O ATOM 1146 CB ARG A 78 -6.642 7.274 4.521 1.00 0.00 C ATOM 1147 CG ARG A 78 -5.577 8.359 4.521 1.00 0.00 C ATOM 1148 CD ARG A 78 -4.541 8.122 5.608 1.00 0.00 C ATOM 1149 NE ARG A 78 -3.696 9.294 5.824 1.00 0.00 N ATOM 1150 CZ ARG A 78 -2.698 9.330 6.700 1.00 0.00 C ATOM 1151 NH1 ARG A 78 -2.422 8.264 7.439 1.00 0.00 N ATOM 1152 NH2 ARG A 78 -1.975 10.433 6.839 1.00 0.00 N ATOM 0 H ARG A 78 -8.921 6.309 4.731 1.00 0.00 H new ATOM 0 HA ARG A 78 -7.861 8.553 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.106 7.232 5.506 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.165 6.309 4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.086 8.388 3.549 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.047 9.331 4.670 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.045 7.862 6.539 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.917 7.271 5.335 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.883 10.131 5.272 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -2.976 7.414 7.335 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.655 8.294 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.185 11.255 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.209 10.459 7.512 1.00 0.00 H new ATOM 1166 N LEU A 79 -6.660 7.609 1.294 1.00 0.00 N ATOM 1167 CA LEU A 79 -6.206 7.108 0.002 1.00 0.00 C ATOM 1168 C LEU A 79 -4.688 7.200 -0.115 1.00 0.00 C ATOM 1169 O LEU A 79 -4.126 7.046 -1.200 1.00 0.00 O ATOM 1170 CB LEU A 79 -6.865 7.894 -1.133 1.00 0.00 C ATOM 1171 CG LEU A 79 -8.374 8.108 -1.013 1.00 0.00 C ATOM 1172 CD1 LEU A 79 -8.808 9.317 -1.827 1.00 0.00 C ATOM 1173 CD2 LEU A 79 -9.126 6.863 -1.461 1.00 0.00 C ATOM 0 H LEU A 79 -6.434 8.588 1.470 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.495 6.060 -0.075 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.384 8.870 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.665 7.376 -2.071 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.613 8.296 0.034 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.885 9.454 -1.730 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.295 10.206 -1.460 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -8.556 9.159 -2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.199 7.033 -1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.881 6.644 -2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -8.837 6.019 -0.835 1.00 0.00 H new ATOM 1185 N THR A 80 -4.027 7.452 1.011 1.00 0.00 N ATOM 1186 CA THR A 80 -2.574 7.564 1.036 1.00 0.00 C ATOM 1187 C THR A 80 -1.989 6.855 2.252 1.00 0.00 C ATOM 1188 O THR A 80 -2.558 6.899 3.343 1.00 0.00 O ATOM 1189 CB THR A 80 -2.124 9.037 1.050 1.00 0.00 C ATOM 1190 OG1 THR A 80 -0.707 9.115 1.241 1.00 0.00 O ATOM 1191 CG2 THR A 80 -2.833 9.809 2.152 1.00 0.00 C ATOM 0 H THR A 80 -4.475 7.582 1.918 1.00 0.00 H new ATOM 0 HA THR A 80 -2.205 7.087 0.128 1.00 0.00 H new ATOM 0 HB THR A 80 -2.385 9.483 0.090 1.00 0.00 H new ATOM 0 HG1 THR A 80 -0.429 10.055 1.247 1.00 0.00 H new ATOM 0 HG21 THR A 80 -2.499 10.847 2.142 1.00 0.00 H new ATOM 0 HG22 THR A 80 -3.910 9.773 1.987 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.599 9.362 3.118 1.00 0.00 H new ATOM 1199 N HIS A 81 -0.848 6.201 2.058 1.00 0.00 N ATOM 1200 CA HIS A 81 -0.184 5.483 3.140 1.00 0.00 C ATOM 1201 C HIS A 81 1.311 5.786 3.157 1.00 0.00 C ATOM 1202 O HIS A 81 1.911 6.048 2.115 1.00 0.00 O ATOM 1203 CB HIS A 81 -0.410 3.977 2.995 1.00 0.00 C ATOM 1204 CG HIS A 81 -0.325 3.231 4.291 1.00 0.00 C ATOM 1205 ND1 HIS A 81 -0.766 3.752 5.489 1.00 0.00 N ATOM 1206 CD2 HIS A 81 0.152 1.996 4.572 1.00 0.00 C ATOM 1207 CE1 HIS A 81 -0.562 2.870 6.452 1.00 0.00 C ATOM 1208 NE2 HIS A 81 -0.006 1.796 5.921 1.00 0.00 N ATOM 0 H HIS A 81 -0.364 6.154 1.161 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.615 5.818 4.083 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.391 3.806 2.551 1.00 0.00 H new ATOM 0 HB3 HIS A 81 0.328 3.572 2.303 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.578 1.298 3.866 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -0.808 3.005 7.495 1.00 0.00 H new ATOM 0 HE2 HIS A 81 0.263 0.954 6.431 1.00 0.00 H new ATOM 1217 N GLN A 82 1.904 5.748 4.346 1.00 0.00 N ATOM 1218 CA GLN A 82 3.329 6.021 4.497 1.00 0.00 C ATOM 1219 C GLN A 82 4.064 4.794 5.027 1.00 0.00 C ATOM 1220 O GLN A 82 3.967 4.463 6.209 1.00 0.00 O ATOM 1221 CB GLN A 82 3.546 7.206 5.439 1.00 0.00 C ATOM 1222 CG GLN A 82 3.372 8.558 4.765 1.00 0.00 C ATOM 1223 CD GLN A 82 2.922 9.637 5.730 1.00 0.00 C ATOM 1224 OE1 GLN A 82 3.573 9.891 6.743 1.00 0.00 O ATOM 1225 NE2 GLN A 82 1.802 10.280 5.419 1.00 0.00 N ATOM 0 H GLN A 82 1.421 5.531 5.218 1.00 0.00 H new ATOM 0 HA GLN A 82 3.732 6.268 3.515 1.00 0.00 H new ATOM 0 HB2 GLN A 82 2.846 7.131 6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 82 4.549 7.146 5.860 1.00 0.00 H new ATOM 0 HG2 GLN A 82 4.315 8.856 4.307 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.642 8.468 3.961 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.294 10.037 4.569 1.00 0.00 H new ATOM 0 HE22 GLN A 82 1.450 11.017 6.030 1.00 0.00 H new ATOM 1234 N ILE A 83 4.798 4.124 4.145 1.00 0.00 N ATOM 1235 CA ILE A 83 5.550 2.935 4.525 1.00 0.00 C ATOM 1236 C ILE A 83 7.022 3.264 4.750 1.00 0.00 C ATOM 1237 O ILE A 83 7.679 3.840 3.883 1.00 0.00 O ATOM 1238 CB ILE A 83 5.440 1.833 3.454 1.00 0.00 C ATOM 1239 CG1 ILE A 83 3.980 1.417 3.268 1.00 0.00 C ATOM 1240 CG2 ILE A 83 6.294 0.634 3.838 1.00 0.00 C ATOM 1241 CD1 ILE A 83 3.747 0.562 2.041 1.00 0.00 C ATOM 0 H ILE A 83 4.888 4.384 3.163 1.00 0.00 H new ATOM 0 HA ILE A 83 5.115 2.571 5.456 1.00 0.00 H new ATOM 0 HB ILE A 83 5.809 2.228 2.507 1.00 0.00 H new ATOM 0 HG12 ILE A 83 3.652 0.869 4.151 1.00 0.00 H new ATOM 0 HG13 ILE A 83 3.361 2.312 3.200 1.00 0.00 H new ATOM 0 HG21 ILE A 83 6.206 -0.136 3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 83 7.336 0.942 3.924 1.00 0.00 H new ATOM 0 HG23 ILE A 83 5.953 0.236 4.794 1.00 0.00 H new ATOM 0 HD11 ILE A 83 2.690 0.304 1.972 1.00 0.00 H new ATOM 0 HD12 ILE A 83 4.044 1.115 1.150 1.00 0.00 H new ATOM 0 HD13 ILE A 83 4.339 -0.350 2.116 1.00 0.00 H new ATOM 1253 N GLN A 84 7.534 2.892 5.919 1.00 0.00 N ATOM 1254 CA GLN A 84 8.929 3.147 6.258 1.00 0.00 C ATOM 1255 C GLN A 84 9.697 1.840 6.422 1.00 0.00 C ATOM 1256 O GLN A 84 9.152 0.758 6.206 1.00 0.00 O ATOM 1257 CB GLN A 84 9.021 3.972 7.543 1.00 0.00 C ATOM 1258 CG GLN A 84 8.060 5.149 7.581 1.00 0.00 C ATOM 1259 CD GLN A 84 8.442 6.180 8.624 1.00 0.00 C ATOM 1260 OE1 GLN A 84 9.620 6.485 8.810 1.00 0.00 O ATOM 1261 NE2 GLN A 84 7.444 6.724 9.312 1.00 0.00 N ATOM 0 H GLN A 84 7.004 2.413 6.647 1.00 0.00 H new ATOM 0 HA GLN A 84 9.378 3.711 5.440 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.822 3.323 8.396 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.040 4.342 7.655 1.00 0.00 H new ATOM 0 HG2 GLN A 84 8.033 5.623 6.600 1.00 0.00 H new ATOM 0 HG3 GLN A 84 7.053 4.785 7.787 1.00 0.00 H new ATOM 0 HE21 GLN A 84 6.482 6.441 9.125 1.00 0.00 H new ATOM 0 HE22 GLN A 84 7.640 7.424 10.027 1.00 0.00 H new ATOM 1270 N GLU A 85 10.965 1.948 6.805 1.00 0.00 N ATOM 1271 CA GLU A 85 11.807 0.773 6.997 1.00 0.00 C ATOM 1272 C GLU A 85 11.920 -0.032 5.706 1.00 0.00 C ATOM 1273 O GLU A 85 11.952 -1.263 5.730 1.00 0.00 O ATOM 1274 CB GLU A 85 11.245 -0.108 8.114 1.00 0.00 C ATOM 1275 CG GLU A 85 11.574 0.394 9.510 1.00 0.00 C ATOM 1276 CD GLU A 85 11.317 -0.649 10.581 1.00 0.00 C ATOM 1277 OE1 GLU A 85 10.163 -0.751 11.046 1.00 0.00 O ATOM 1278 OE2 GLU A 85 12.271 -1.364 10.953 1.00 0.00 O ATOM 0 H GLU A 85 11.432 2.836 6.988 1.00 0.00 H new ATOM 0 HA GLU A 85 12.803 1.114 7.280 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.162 -0.171 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.636 -1.119 7.999 1.00 0.00 H new ATOM 0 HG2 GLU A 85 12.621 0.696 9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 85 10.978 1.282 9.722 1.00 0.00 H new ATOM 1285 N LEU A 86 11.979 0.671 4.581 1.00 0.00 N ATOM 1286 CA LEU A 86 12.087 0.022 3.278 1.00 0.00 C ATOM 1287 C LEU A 86 13.527 0.045 2.777 1.00 0.00 C ATOM 1288 O LEU A 86 14.304 0.935 3.124 1.00 0.00 O ATOM 1289 CB LEU A 86 11.172 0.712 2.265 1.00 0.00 C ATOM 1290 CG LEU A 86 9.672 0.480 2.449 1.00 0.00 C ATOM 1291 CD1 LEU A 86 8.876 1.326 1.467 1.00 0.00 C ATOM 1292 CD2 LEU A 86 9.336 -0.994 2.281 1.00 0.00 C ATOM 0 H LEU A 86 11.954 1.690 4.544 1.00 0.00 H new ATOM 0 HA LEU A 86 11.777 -1.017 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 86 11.361 1.785 2.306 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.451 0.377 1.266 1.00 0.00 H new ATOM 0 HG LEU A 86 9.399 0.781 3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.811 1.147 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 86 9.094 2.381 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 86 9.153 1.057 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.264 -1.140 2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.625 -1.321 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.878 -1.578 3.025 1.00 0.00 H new ATOM 1304 N THR A 87 13.878 -0.940 1.956 1.00 0.00 N ATOM 1305 CA THR A 87 15.225 -1.033 1.405 1.00 0.00 C ATOM 1306 C THR A 87 15.419 -0.049 0.258 1.00 0.00 C ATOM 1307 O THR A 87 14.467 0.300 -0.442 1.00 0.00 O ATOM 1308 CB THR A 87 15.529 -2.457 0.903 1.00 0.00 C ATOM 1309 OG1 THR A 87 14.831 -3.419 1.702 1.00 0.00 O ATOM 1310 CG2 THR A 87 17.023 -2.740 0.949 1.00 0.00 C ATOM 0 H THR A 87 13.248 -1.685 1.658 1.00 0.00 H new ATOM 0 HA THR A 87 15.915 -0.785 2.212 1.00 0.00 H new ATOM 0 HB THR A 87 15.193 -2.533 -0.131 1.00 0.00 H new ATOM 0 HG1 THR A 87 14.153 -3.868 1.155 1.00 0.00 H new ATOM 0 HG21 THR A 87 17.213 -3.751 0.590 1.00 0.00 H new ATOM 0 HG22 THR A 87 17.548 -2.025 0.316 1.00 0.00 H new ATOM 0 HG23 THR A 87 17.380 -2.646 1.975 1.00 0.00 H new ATOM 1318 N LEU A 88 16.656 0.395 0.068 1.00 0.00 N ATOM 1319 CA LEU A 88 16.976 1.339 -0.997 1.00 0.00 C ATOM 1320 C LEU A 88 17.532 0.615 -2.218 1.00 0.00 C ATOM 1321 O LEU A 88 17.714 -0.602 -2.201 1.00 0.00 O ATOM 1322 CB LEU A 88 17.985 2.376 -0.500 1.00 0.00 C ATOM 1323 CG LEU A 88 17.689 3.002 0.863 1.00 0.00 C ATOM 1324 CD1 LEU A 88 18.917 3.720 1.399 1.00 0.00 C ATOM 1325 CD2 LEU A 88 16.510 3.959 0.765 1.00 0.00 C ATOM 0 H LEU A 88 17.455 0.116 0.638 1.00 0.00 H new ATOM 0 HA LEU A 88 16.056 1.847 -1.287 1.00 0.00 H new ATOM 0 HB2 LEU A 88 18.967 1.905 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 88 18.048 3.175 -1.238 1.00 0.00 H new ATOM 0 HG LEU A 88 17.428 2.204 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 88 18.687 4.159 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 88 19.736 3.009 1.507 1.00 0.00 H new ATOM 0 HD13 LEU A 88 19.210 4.508 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 88 16.313 4.395 1.744 1.00 0.00 H new ATOM 0 HD22 LEU A 88 16.743 4.752 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 88 15.628 3.416 0.426 1.00 0.00 H new ATOM 1337 N ASP A 89 17.803 1.372 -3.276 1.00 0.00 N ATOM 1338 CA ASP A 89 18.343 0.803 -4.505 1.00 0.00 C ATOM 1339 C ASP A 89 17.736 -0.569 -4.781 1.00 0.00 C ATOM 1340 O ASP A 89 18.441 -1.509 -5.151 1.00 0.00 O ATOM 1341 CB ASP A 89 19.865 0.693 -4.416 1.00 0.00 C ATOM 1342 CG ASP A 89 20.468 0.005 -5.625 1.00 0.00 C ATOM 1343 OD1 ASP A 89 20.043 0.315 -6.758 1.00 0.00 O ATOM 1344 OD2 ASP A 89 21.366 -0.843 -5.439 1.00 0.00 O ATOM 0 H ASP A 89 17.657 2.381 -3.307 1.00 0.00 H new ATOM 0 HA ASP A 89 18.083 1.468 -5.329 1.00 0.00 H new ATOM 0 HB2 ASP A 89 20.293 1.691 -4.318 1.00 0.00 H new ATOM 0 HB3 ASP A 89 20.134 0.141 -3.516 1.00 0.00 H new ATOM 1349 N THR A 90 16.424 -0.678 -4.598 1.00 0.00 N ATOM 1350 CA THR A 90 15.722 -1.936 -4.824 1.00 0.00 C ATOM 1351 C THR A 90 14.311 -1.692 -5.345 1.00 0.00 C ATOM 1352 O THR A 90 13.527 -0.945 -4.758 1.00 0.00 O ATOM 1353 CB THR A 90 15.644 -2.775 -3.535 1.00 0.00 C ATOM 1354 OG1 THR A 90 16.959 -3.167 -3.125 1.00 0.00 O ATOM 1355 CG2 THR A 90 14.784 -4.012 -3.747 1.00 0.00 C ATOM 0 H THR A 90 15.826 0.090 -4.294 1.00 0.00 H new ATOM 0 HA THR A 90 16.292 -2.486 -5.572 1.00 0.00 H new ATOM 0 HB THR A 90 15.189 -2.163 -2.756 1.00 0.00 H new ATOM 0 HG1 THR A 90 17.425 -2.396 -2.739 1.00 0.00 H new ATOM 0 HG21 THR A 90 14.743 -4.589 -2.823 1.00 0.00 H new ATOM 0 HG22 THR A 90 13.776 -3.710 -4.031 1.00 0.00 H new ATOM 0 HG23 THR A 90 15.216 -4.624 -4.539 1.00 0.00 H new ATOM 1363 N PRO A 91 13.975 -2.336 -6.473 1.00 0.00 N ATOM 1364 CA PRO A 91 12.655 -2.205 -7.096 1.00 0.00 C ATOM 1365 C PRO A 91 11.557 -2.870 -6.274 1.00 0.00 C ATOM 1366 O PRO A 91 11.483 -4.097 -6.196 1.00 0.00 O ATOM 1367 CB PRO A 91 12.825 -2.920 -8.439 1.00 0.00 C ATOM 1368 CG PRO A 91 13.931 -3.892 -8.213 1.00 0.00 C ATOM 1369 CD PRO A 91 14.859 -3.242 -7.225 1.00 0.00 C ATOM 0 HA PRO A 91 12.349 -1.163 -7.187 1.00 0.00 H new ATOM 0 HB2 PRO A 91 11.907 -3.427 -8.737 1.00 0.00 H new ATOM 0 HB3 PRO A 91 13.073 -2.216 -9.234 1.00 0.00 H new ATOM 0 HG2 PRO A 91 13.548 -4.836 -7.825 1.00 0.00 H new ATOM 0 HG3 PRO A 91 14.449 -4.117 -9.145 1.00 0.00 H new ATOM 0 HD2 PRO A 91 15.330 -3.977 -6.572 1.00 0.00 H new ATOM 0 HD3 PRO A 91 15.661 -2.698 -7.724 1.00 0.00 H new ATOM 1377 N TYR A 92 10.706 -2.054 -5.662 1.00 0.00 N ATOM 1378 CA TYR A 92 9.613 -2.564 -4.843 1.00 0.00 C ATOM 1379 C TYR A 92 8.288 -2.488 -5.596 1.00 0.00 C ATOM 1380 O TYR A 92 7.935 -1.447 -6.151 1.00 0.00 O ATOM 1381 CB TYR A 92 9.516 -1.775 -3.536 1.00 0.00 C ATOM 1382 CG TYR A 92 10.344 -2.359 -2.414 1.00 0.00 C ATOM 1383 CD1 TYR A 92 11.703 -2.090 -2.314 1.00 0.00 C ATOM 1384 CD2 TYR A 92 9.766 -3.179 -1.452 1.00 0.00 C ATOM 1385 CE1 TYR A 92 12.463 -2.623 -1.291 1.00 0.00 C ATOM 1386 CE2 TYR A 92 10.518 -3.714 -0.424 1.00 0.00 C ATOM 1387 CZ TYR A 92 11.867 -3.434 -0.349 1.00 0.00 C ATOM 1388 OH TYR A 92 12.620 -3.964 0.673 1.00 0.00 O ATOM 0 H TYR A 92 10.752 -1.037 -5.718 1.00 0.00 H new ATOM 0 HA TYR A 92 9.821 -3.609 -4.614 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.836 -0.749 -3.716 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.473 -1.733 -3.223 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.174 -1.453 -3.049 1.00 0.00 H new ATOM 0 HD2 TYR A 92 8.711 -3.402 -1.509 1.00 0.00 H new ATOM 0 HE1 TYR A 92 13.519 -2.405 -1.229 1.00 0.00 H new ATOM 0 HE2 TYR A 92 10.053 -4.348 0.317 1.00 0.00 H new ATOM 0 HH TYR A 92 12.048 -4.511 1.251 1.00 0.00 H new ATOM 1398 N TYR A 93 7.558 -3.598 -5.609 1.00 0.00 N ATOM 1399 CA TYR A 93 6.272 -3.659 -6.294 1.00 0.00 C ATOM 1400 C TYR A 93 5.122 -3.469 -5.311 1.00 0.00 C ATOM 1401 O TYR A 93 4.921 -4.281 -4.407 1.00 0.00 O ATOM 1402 CB TYR A 93 6.122 -4.997 -7.021 1.00 0.00 C ATOM 1403 CG TYR A 93 7.355 -5.409 -7.793 1.00 0.00 C ATOM 1404 CD1 TYR A 93 8.412 -6.051 -7.160 1.00 0.00 C ATOM 1405 CD2 TYR A 93 7.462 -5.157 -9.155 1.00 0.00 C ATOM 1406 CE1 TYR A 93 9.541 -6.428 -7.861 1.00 0.00 C ATOM 1407 CE2 TYR A 93 8.586 -5.533 -9.864 1.00 0.00 C ATOM 1408 CZ TYR A 93 9.623 -6.167 -9.213 1.00 0.00 C ATOM 1409 OH TYR A 93 10.745 -6.543 -9.915 1.00 0.00 O ATOM 0 H TYR A 93 7.835 -4.467 -5.153 1.00 0.00 H new ATOM 0 HA TYR A 93 6.238 -2.850 -7.024 1.00 0.00 H new ATOM 0 HB2 TYR A 93 5.884 -5.772 -6.292 1.00 0.00 H new ATOM 0 HB3 TYR A 93 5.278 -4.935 -7.708 1.00 0.00 H new ATOM 0 HD1 TYR A 93 8.350 -6.259 -6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 93 6.653 -4.659 -9.668 1.00 0.00 H new ATOM 0 HE1 TYR A 93 10.355 -6.924 -7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 93 8.652 -5.331 -10.923 1.00 0.00 H new ATOM 0 HH TYR A 93 10.556 -6.511 -10.876 1.00 0.00 H new ATOM 1419 N PHE A 94 4.368 -2.390 -5.494 1.00 0.00 N ATOM 1420 CA PHE A 94 3.236 -2.092 -4.624 1.00 0.00 C ATOM 1421 C PHE A 94 1.915 -2.336 -5.347 1.00 0.00 C ATOM 1422 O PHE A 94 1.857 -2.338 -6.577 1.00 0.00 O ATOM 1423 CB PHE A 94 3.306 -0.642 -4.141 1.00 0.00 C ATOM 1424 CG PHE A 94 4.633 -0.273 -3.542 1.00 0.00 C ATOM 1425 CD1 PHE A 94 5.698 0.086 -4.352 1.00 0.00 C ATOM 1426 CD2 PHE A 94 4.815 -0.285 -2.168 1.00 0.00 C ATOM 1427 CE1 PHE A 94 6.921 0.426 -3.804 1.00 0.00 C ATOM 1428 CE2 PHE A 94 6.035 0.055 -1.615 1.00 0.00 C ATOM 1429 CZ PHE A 94 7.089 0.410 -2.434 1.00 0.00 C ATOM 0 H PHE A 94 4.520 -1.708 -6.237 1.00 0.00 H new ATOM 0 HA PHE A 94 3.286 -2.758 -3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 94 3.098 0.022 -4.980 1.00 0.00 H new ATOM 0 HB3 PHE A 94 2.523 -0.476 -3.401 1.00 0.00 H new ATOM 0 HD1 PHE A 94 5.571 0.100 -5.424 1.00 0.00 H new ATOM 0 HD2 PHE A 94 3.995 -0.563 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 94 7.743 0.704 -4.447 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.164 0.043 -0.543 1.00 0.00 H new ATOM 0 HZ PHE A 94 8.043 0.675 -2.003 1.00 0.00 H new ATOM 1439 N LYS A 95 0.854 -2.541 -4.574 1.00 0.00 N ATOM 1440 CA LYS A 95 -0.469 -2.786 -5.138 1.00 0.00 C ATOM 1441 C LYS A 95 -1.561 -2.265 -4.210 1.00 0.00 C ATOM 1442 O LYS A 95 -1.462 -2.389 -2.989 1.00 0.00 O ATOM 1443 CB LYS A 95 -0.669 -4.282 -5.390 1.00 0.00 C ATOM 1444 CG LYS A 95 -0.025 -4.774 -6.675 1.00 0.00 C ATOM 1445 CD LYS A 95 -0.499 -6.172 -7.036 1.00 0.00 C ATOM 1446 CE LYS A 95 0.393 -7.239 -6.420 1.00 0.00 C ATOM 1447 NZ LYS A 95 -0.013 -8.610 -6.837 1.00 0.00 N ATOM 0 H LYS A 95 0.884 -2.542 -3.554 1.00 0.00 H new ATOM 0 HA LYS A 95 -0.537 -2.252 -6.086 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -0.258 -4.842 -4.550 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -1.737 -4.497 -5.423 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -0.262 -4.087 -7.488 1.00 0.00 H new ATOM 0 HG3 LYS A 95 1.059 -4.774 -6.563 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -1.524 -6.310 -6.692 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -0.509 -6.286 -8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 95 1.428 -7.061 -6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 95 0.353 -7.163 -5.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 0.619 -9.308 -6.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -0.992 -8.789 -6.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 0.050 -8.691 -7.872 1.00 0.00 H new ATOM 1461 N ILE A 96 -2.601 -1.683 -4.797 1.00 0.00 N ATOM 1462 CA ILE A 96 -3.713 -1.146 -4.021 1.00 0.00 C ATOM 1463 C ILE A 96 -5.012 -1.876 -4.344 1.00 0.00 C ATOM 1464 O ILE A 96 -5.177 -2.413 -5.439 1.00 0.00 O ATOM 1465 CB ILE A 96 -3.905 0.360 -4.282 1.00 0.00 C ATOM 1466 CG1 ILE A 96 -2.598 1.114 -4.032 1.00 0.00 C ATOM 1467 CG2 ILE A 96 -5.018 0.912 -3.403 1.00 0.00 C ATOM 1468 CD1 ILE A 96 -2.571 2.496 -4.647 1.00 0.00 C ATOM 0 H ILE A 96 -2.697 -1.571 -5.806 1.00 0.00 H new ATOM 0 HA ILE A 96 -3.467 -1.296 -2.970 1.00 0.00 H new ATOM 0 HB ILE A 96 -4.189 0.500 -5.325 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.437 1.200 -2.957 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -1.769 0.531 -4.432 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -5.142 1.977 -3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.949 0.391 -3.626 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.761 0.763 -2.354 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.615 2.972 -4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -2.700 2.416 -5.726 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.379 3.096 -4.228 1.00 0.00 H new ATOM 1480 N GLN A 97 -5.930 -1.891 -3.384 1.00 0.00 N ATOM 1481 CA GLN A 97 -7.216 -2.555 -3.567 1.00 0.00 C ATOM 1482 C GLN A 97 -8.280 -1.939 -2.664 1.00 0.00 C ATOM 1483 O GLN A 97 -8.031 -1.670 -1.489 1.00 0.00 O ATOM 1484 CB GLN A 97 -7.087 -4.051 -3.276 1.00 0.00 C ATOM 1485 CG GLN A 97 -8.410 -4.798 -3.329 1.00 0.00 C ATOM 1486 CD GLN A 97 -8.373 -6.106 -2.564 1.00 0.00 C ATOM 1487 OE1 GLN A 97 -8.359 -6.118 -1.333 1.00 0.00 O ATOM 1488 NE2 GLN A 97 -8.358 -7.217 -3.291 1.00 0.00 N ATOM 0 H GLN A 97 -5.808 -1.451 -2.472 1.00 0.00 H new ATOM 0 HA GLN A 97 -7.523 -2.419 -4.604 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.400 -4.495 -3.996 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -6.644 -4.184 -2.289 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -9.197 -4.165 -2.920 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -8.669 -4.997 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -8.371 -7.160 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.334 -8.127 -2.831 1.00 0.00 H new ATOM 1497 N ALA A 98 -9.466 -1.718 -3.222 1.00 0.00 N ATOM 1498 CA ALA A 98 -10.568 -1.136 -2.467 1.00 0.00 C ATOM 1499 C ALA A 98 -11.562 -2.207 -2.031 1.00 0.00 C ATOM 1500 O ALA A 98 -12.054 -2.982 -2.852 1.00 0.00 O ATOM 1501 CB ALA A 98 -11.269 -0.068 -3.294 1.00 0.00 C ATOM 0 H ALA A 98 -9.688 -1.933 -4.194 1.00 0.00 H new ATOM 0 HA ALA A 98 -10.156 -0.673 -1.570 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.090 0.358 -2.717 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -10.559 0.718 -3.550 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.661 -0.514 -4.208 1.00 0.00 H new ATOM 1507 N ARG A 99 -11.852 -2.246 -0.735 1.00 0.00 N ATOM 1508 CA ARG A 99 -12.786 -3.224 -0.190 1.00 0.00 C ATOM 1509 C ARG A 99 -13.864 -2.541 0.646 1.00 0.00 C ATOM 1510 O ARG A 99 -13.633 -1.481 1.227 1.00 0.00 O ATOM 1511 CB ARG A 99 -12.041 -4.254 0.661 1.00 0.00 C ATOM 1512 CG ARG A 99 -11.438 -3.673 1.930 1.00 0.00 C ATOM 1513 CD ARG A 99 -11.244 -4.741 2.994 1.00 0.00 C ATOM 1514 NE ARG A 99 -10.655 -4.197 4.215 1.00 0.00 N ATOM 1515 CZ ARG A 99 -10.630 -4.849 5.372 1.00 0.00 C ATOM 1516 NH1 ARG A 99 -11.157 -6.062 5.466 1.00 0.00 N ATOM 1517 NH2 ARG A 99 -10.076 -4.287 6.439 1.00 0.00 N ATOM 0 H ARG A 99 -11.454 -1.612 -0.043 1.00 0.00 H new ATOM 0 HA ARG A 99 -13.267 -3.733 -1.025 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -12.728 -5.056 0.930 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -11.247 -4.701 0.063 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.479 -3.209 1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -12.087 -2.887 2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -12.205 -5.198 3.228 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -10.602 -5.530 2.602 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.240 -3.266 4.177 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -11.583 -6.498 4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -11.136 -6.560 6.356 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -9.669 -3.354 6.371 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -10.057 -4.788 7.327 1.00 0.00 H new ATOM 1531 N ASN A 100 -15.041 -3.154 0.701 1.00 0.00 N ATOM 1532 CA ASN A 100 -16.155 -2.604 1.466 1.00 0.00 C ATOM 1533 C ASN A 100 -16.706 -3.637 2.444 1.00 0.00 C ATOM 1534 O ASN A 100 -16.253 -4.781 2.475 1.00 0.00 O ATOM 1535 CB ASN A 100 -17.265 -2.135 0.523 1.00 0.00 C ATOM 1536 CG ASN A 100 -16.720 -1.519 -0.751 1.00 0.00 C ATOM 1537 OD1 ASN A 100 -15.526 -1.237 -0.856 1.00 0.00 O ATOM 1538 ND2 ASN A 100 -17.596 -1.306 -1.726 1.00 0.00 N ATOM 0 H ASN A 100 -15.249 -4.032 0.225 1.00 0.00 H new ATOM 0 HA ASN A 100 -15.786 -1.751 2.036 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -17.904 -2.981 0.270 1.00 0.00 H new ATOM 0 HB3 ASN A 100 -17.891 -1.405 1.037 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -17.289 -0.893 -2.606 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -18.576 -1.556 -1.594 1.00 0.00 H new ATOM 1545 N SER A 101 -17.686 -3.225 3.242 1.00 0.00 N ATOM 1546 CA SER A 101 -18.297 -4.113 4.224 1.00 0.00 C ATOM 1547 C SER A 101 -18.573 -5.485 3.618 1.00 0.00 C ATOM 1548 O SER A 101 -18.472 -6.508 4.296 1.00 0.00 O ATOM 1549 CB SER A 101 -19.597 -3.505 4.753 1.00 0.00 C ATOM 1550 OG SER A 101 -20.269 -4.408 5.615 1.00 0.00 O ATOM 0 H SER A 101 -18.074 -2.282 3.228 1.00 0.00 H new ATOM 0 HA SER A 101 -17.598 -4.235 5.052 1.00 0.00 H new ATOM 0 HB2 SER A 101 -19.379 -2.581 5.288 1.00 0.00 H new ATOM 0 HB3 SER A 101 -20.246 -3.244 3.917 1.00 0.00 H new ATOM 0 HG SER A 101 -21.096 -3.995 5.941 1.00 0.00 H new ATOM 1556 N LYS A 102 -18.923 -5.499 2.336 1.00 0.00 N ATOM 1557 CA LYS A 102 -19.213 -6.745 1.636 1.00 0.00 C ATOM 1558 C LYS A 102 -17.961 -7.609 1.520 1.00 0.00 C ATOM 1559 O LYS A 102 -17.825 -8.617 2.212 1.00 0.00 O ATOM 1560 CB LYS A 102 -19.773 -6.451 0.242 1.00 0.00 C ATOM 1561 CG LYS A 102 -21.259 -6.134 0.238 1.00 0.00 C ATOM 1562 CD LYS A 102 -21.574 -4.930 1.111 1.00 0.00 C ATOM 1563 CE LYS A 102 -21.920 -5.347 2.532 1.00 0.00 C ATOM 1564 NZ LYS A 102 -23.058 -6.307 2.566 1.00 0.00 N ATOM 0 H LYS A 102 -19.013 -4.661 1.761 1.00 0.00 H new ATOM 0 HA LYS A 102 -19.958 -7.292 2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -19.229 -5.610 -0.189 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -19.592 -7.311 -0.402 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -21.588 -5.941 -0.783 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -21.818 -6.999 0.594 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -20.717 -4.257 1.127 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -22.408 -4.375 0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -21.047 -5.802 3.000 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -22.172 -4.464 3.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -23.735 -6.018 3.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -23.534 -6.315 1.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -22.702 -7.260 2.780 1.00 0.00 H new ATOM 1578 N GLY A 103 -17.048 -7.205 0.642 1.00 0.00 N ATOM 1579 CA GLY A 103 -15.819 -7.953 0.453 1.00 0.00 C ATOM 1580 C GLY A 103 -14.718 -7.114 -0.165 1.00 0.00 C ATOM 1581 O GLY A 103 -14.662 -5.902 0.042 1.00 0.00 O ATOM 0 H GLY A 103 -17.138 -6.373 0.058 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -15.481 -8.339 1.415 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -16.016 -8.815 -0.185 1.00 0.00 H new ATOM 1585 N MET A 104 -13.839 -7.760 -0.924 1.00 0.00 N ATOM 1586 CA MET A 104 -12.734 -7.064 -1.573 1.00 0.00 C ATOM 1587 C MET A 104 -12.860 -7.142 -3.092 1.00 0.00 C ATOM 1588 O MET A 104 -13.506 -8.043 -3.625 1.00 0.00 O ATOM 1589 CB MET A 104 -11.397 -7.659 -1.129 1.00 0.00 C ATOM 1590 CG MET A 104 -11.159 -7.569 0.370 1.00 0.00 C ATOM 1591 SD MET A 104 -9.433 -7.833 0.816 1.00 0.00 S ATOM 1592 CE MET A 104 -9.374 -9.621 0.903 1.00 0.00 C ATOM 0 H MET A 104 -13.870 -8.763 -1.105 1.00 0.00 H new ATOM 0 HA MET A 104 -12.773 -6.016 -1.276 1.00 0.00 H new ATOM 0 HB2 MET A 104 -11.355 -8.705 -1.433 1.00 0.00 H new ATOM 0 HB3 MET A 104 -10.589 -7.144 -1.648 1.00 0.00 H new ATOM 0 HG2 MET A 104 -11.476 -6.589 0.726 1.00 0.00 H new ATOM 0 HG3 MET A 104 -11.779 -8.309 0.877 1.00 0.00 H new ATOM 0 HE1 MET A 104 -8.366 -9.939 1.170 1.00 0.00 H new ATOM 0 HE2 MET A 104 -10.077 -9.972 1.658 1.00 0.00 H new ATOM 0 HE3 MET A 104 -9.642 -10.041 -0.066 1.00 0.00 H new ATOM 1602 N GLY A 105 -12.237 -6.192 -3.782 1.00 0.00 N ATOM 1603 CA GLY A 105 -12.292 -6.171 -5.232 1.00 0.00 C ATOM 1604 C GLY A 105 -11.005 -6.656 -5.868 1.00 0.00 C ATOM 1605 O GLY A 105 -10.211 -7.367 -5.251 1.00 0.00 O ATOM 0 H GLY A 105 -11.695 -5.436 -3.363 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -13.119 -6.796 -5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -12.501 -5.156 -5.570 1.00 0.00 H new ATOM 1609 N PRO A 106 -10.783 -6.270 -7.134 1.00 0.00 N ATOM 1610 CA PRO A 106 -9.584 -6.660 -7.882 1.00 0.00 C ATOM 1611 C PRO A 106 -8.325 -5.983 -7.351 1.00 0.00 C ATOM 1612 O PRO A 106 -8.400 -4.999 -6.617 1.00 0.00 O ATOM 1613 CB PRO A 106 -9.885 -6.187 -9.306 1.00 0.00 C ATOM 1614 CG PRO A 106 -10.859 -5.072 -9.137 1.00 0.00 C ATOM 1615 CD PRO A 106 -11.686 -5.423 -7.931 1.00 0.00 C ATOM 0 HA PRO A 106 -9.386 -7.729 -7.806 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -8.980 -5.849 -9.810 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -10.305 -6.991 -9.910 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -10.344 -4.122 -8.994 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -11.486 -4.964 -10.022 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -11.992 -4.533 -7.381 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -12.596 -5.955 -8.209 1.00 0.00 H new ATOM 1623 N MET A 107 -7.168 -6.518 -7.728 1.00 0.00 N ATOM 1624 CA MET A 107 -5.892 -5.964 -7.291 1.00 0.00 C ATOM 1625 C MET A 107 -5.210 -5.207 -8.427 1.00 0.00 C ATOM 1626 O MET A 107 -4.955 -5.767 -9.493 1.00 0.00 O ATOM 1627 CB MET A 107 -4.975 -7.078 -6.782 1.00 0.00 C ATOM 1628 CG MET A 107 -5.222 -7.453 -5.330 1.00 0.00 C ATOM 1629 SD MET A 107 -4.399 -8.986 -4.859 1.00 0.00 S ATOM 1630 CE MET A 107 -5.435 -9.523 -3.500 1.00 0.00 C ATOM 0 H MET A 107 -7.088 -7.334 -8.335 1.00 0.00 H new ATOM 0 HA MET A 107 -6.088 -5.265 -6.478 1.00 0.00 H new ATOM 0 HB2 MET A 107 -5.111 -7.962 -7.405 1.00 0.00 H new ATOM 0 HB3 MET A 107 -3.938 -6.764 -6.896 1.00 0.00 H new ATOM 0 HG2 MET A 107 -4.874 -6.646 -4.686 1.00 0.00 H new ATOM 0 HG3 MET A 107 -6.294 -7.554 -5.162 1.00 0.00 H new ATOM 0 HE1 MET A 107 -4.880 -10.221 -2.873 1.00 0.00 H new ATOM 0 HE2 MET A 107 -5.733 -8.659 -2.906 1.00 0.00 H new ATOM 0 HE3 MET A 107 -6.324 -10.016 -3.893 1.00 0.00 H new ATOM 1640 N SER A 108 -4.918 -3.932 -8.191 1.00 0.00 N ATOM 1641 CA SER A 108 -4.270 -3.098 -9.196 1.00 0.00 C ATOM 1642 C SER A 108 -2.976 -3.742 -9.685 1.00 0.00 C ATOM 1643 O SER A 108 -2.412 -4.608 -9.017 1.00 0.00 O ATOM 1644 CB SER A 108 -3.977 -1.709 -8.625 1.00 0.00 C ATOM 1645 OG SER A 108 -3.126 -1.791 -7.495 1.00 0.00 O ATOM 0 H SER A 108 -5.120 -3.454 -7.313 1.00 0.00 H new ATOM 0 HA SER A 108 -4.949 -2.999 -10.043 1.00 0.00 H new ATOM 0 HB2 SER A 108 -3.511 -1.089 -9.391 1.00 0.00 H new ATOM 0 HB3 SER A 108 -4.912 -1.223 -8.346 1.00 0.00 H new ATOM 0 HG SER A 108 -2.473 -1.061 -7.524 1.00 0.00 H new ATOM 1651 N GLU A 109 -2.513 -3.312 -10.855 1.00 0.00 N ATOM 1652 CA GLU A 109 -1.287 -3.848 -11.433 1.00 0.00 C ATOM 1653 C GLU A 109 -0.079 -3.494 -10.571 1.00 0.00 C ATOM 1654 O GLU A 109 0.015 -2.389 -10.038 1.00 0.00 O ATOM 1655 CB GLU A 109 -1.090 -3.311 -12.853 1.00 0.00 C ATOM 1656 CG GLU A 109 -0.950 -1.799 -12.918 1.00 0.00 C ATOM 1657 CD GLU A 109 -0.417 -1.320 -14.254 1.00 0.00 C ATOM 1658 OE1 GLU A 109 -1.073 -1.584 -15.284 1.00 0.00 O ATOM 1659 OE2 GLU A 109 0.655 -0.680 -14.269 1.00 0.00 O ATOM 0 H GLU A 109 -2.968 -2.595 -11.420 1.00 0.00 H new ATOM 0 HA GLU A 109 -1.378 -4.934 -11.472 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -0.200 -3.769 -13.285 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -1.936 -3.616 -13.468 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -1.921 -1.340 -12.732 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -0.282 -1.465 -12.124 1.00 0.00 H new ATOM 1666 N ALA A 110 0.844 -4.441 -10.439 1.00 0.00 N ATOM 1667 CA ALA A 110 2.047 -4.230 -9.643 1.00 0.00 C ATOM 1668 C ALA A 110 2.767 -2.953 -10.065 1.00 0.00 C ATOM 1669 O ALA A 110 3.232 -2.836 -11.198 1.00 0.00 O ATOM 1670 CB ALA A 110 2.978 -5.427 -9.766 1.00 0.00 C ATOM 0 H ALA A 110 0.782 -5.362 -10.873 1.00 0.00 H new ATOM 0 HA ALA A 110 1.748 -4.121 -8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 110 3.872 -5.256 -9.167 1.00 0.00 H new ATOM 0 HB2 ALA A 110 2.468 -6.322 -9.410 1.00 0.00 H new ATOM 0 HB3 ALA A 110 3.261 -5.562 -10.810 1.00 0.00 H new ATOM 1676 N VAL A 111 2.853 -1.997 -9.145 1.00 0.00 N ATOM 1677 CA VAL A 111 3.516 -0.728 -9.421 1.00 0.00 C ATOM 1678 C VAL A 111 5.003 -0.802 -9.092 1.00 0.00 C ATOM 1679 O VAL A 111 5.396 -0.719 -7.929 1.00 0.00 O ATOM 1680 CB VAL A 111 2.881 0.424 -8.620 1.00 0.00 C ATOM 1681 CG1 VAL A 111 3.624 1.726 -8.875 1.00 0.00 C ATOM 1682 CG2 VAL A 111 1.407 0.565 -8.968 1.00 0.00 C ATOM 0 H VAL A 111 2.472 -2.077 -8.202 1.00 0.00 H new ATOM 0 HA VAL A 111 3.391 -0.531 -10.486 1.00 0.00 H new ATOM 0 HB VAL A 111 2.960 0.191 -7.558 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.161 2.528 -8.300 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.665 1.616 -8.571 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.580 1.968 -9.937 1.00 0.00 H new ATOM 0 HG21 VAL A 111 0.974 1.384 -8.393 1.00 0.00 H new ATOM 0 HG22 VAL A 111 1.303 0.775 -10.033 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.886 -0.362 -8.728 1.00 0.00 H new ATOM 1692 N GLN A 112 5.825 -0.958 -10.125 1.00 0.00 N ATOM 1693 CA GLN A 112 7.269 -1.043 -9.945 1.00 0.00 C ATOM 1694 C GLN A 112 7.868 0.335 -9.687 1.00 0.00 C ATOM 1695 O GLN A 112 8.072 1.119 -10.614 1.00 0.00 O ATOM 1696 CB GLN A 112 7.922 -1.673 -11.178 1.00 0.00 C ATOM 1697 CG GLN A 112 9.384 -2.036 -10.973 1.00 0.00 C ATOM 1698 CD GLN A 112 9.938 -2.883 -12.102 1.00 0.00 C ATOM 1699 OE1 GLN A 112 9.773 -2.556 -13.278 1.00 0.00 O ATOM 1700 NE2 GLN A 112 10.600 -3.979 -11.750 1.00 0.00 N ATOM 0 H GLN A 112 5.516 -1.028 -11.094 1.00 0.00 H new ATOM 0 HA GLN A 112 7.465 -1.672 -9.077 1.00 0.00 H new ATOM 0 HB2 GLN A 112 7.368 -2.571 -11.453 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.842 -0.980 -12.015 1.00 0.00 H new ATOM 0 HG2 GLN A 112 9.973 -1.123 -10.886 1.00 0.00 H new ATOM 0 HG3 GLN A 112 9.492 -2.576 -10.032 1.00 0.00 H new ATOM 0 HE21 GLN A 112 10.713 -4.212 -10.763 1.00 0.00 H new ATOM 0 HE22 GLN A 112 10.996 -4.588 -12.466 1.00 0.00 H new ATOM 1709 N PHE A 113 8.148 0.625 -8.420 1.00 0.00 N ATOM 1710 CA PHE A 113 8.722 1.911 -8.039 1.00 0.00 C ATOM 1711 C PHE A 113 10.117 1.729 -7.449 1.00 0.00 C ATOM 1712 O PHE A 113 10.280 1.130 -6.386 1.00 0.00 O ATOM 1713 CB PHE A 113 7.817 2.618 -7.029 1.00 0.00 C ATOM 1714 CG PHE A 113 8.487 3.760 -6.320 1.00 0.00 C ATOM 1715 CD1 PHE A 113 9.269 3.534 -5.199 1.00 0.00 C ATOM 1716 CD2 PHE A 113 8.334 5.060 -6.774 1.00 0.00 C ATOM 1717 CE1 PHE A 113 9.888 4.582 -4.545 1.00 0.00 C ATOM 1718 CE2 PHE A 113 8.951 6.112 -6.124 1.00 0.00 C ATOM 1719 CZ PHE A 113 9.728 5.873 -5.007 1.00 0.00 C ATOM 0 H PHE A 113 7.987 -0.013 -7.640 1.00 0.00 H new ATOM 0 HA PHE A 113 8.803 2.525 -8.936 1.00 0.00 H new ATOM 0 HB2 PHE A 113 6.932 2.990 -7.545 1.00 0.00 H new ATOM 0 HB3 PHE A 113 7.474 1.893 -6.291 1.00 0.00 H new ATOM 0 HD1 PHE A 113 9.396 2.526 -4.832 1.00 0.00 H new ATOM 0 HD2 PHE A 113 7.726 5.253 -7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 113 10.496 4.391 -3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 113 8.826 7.121 -6.489 1.00 0.00 H new ATOM 0 HZ PHE A 113 10.209 6.694 -4.496 1.00 0.00 H new ATOM 1729 N ARG A 114 11.121 2.250 -8.147 1.00 0.00 N ATOM 1730 CA ARG A 114 12.503 2.145 -7.694 1.00 0.00 C ATOM 1731 C ARG A 114 12.754 3.058 -6.498 1.00 0.00 C ATOM 1732 O ARG A 114 12.609 4.277 -6.592 1.00 0.00 O ATOM 1733 CB ARG A 114 13.463 2.500 -8.831 1.00 0.00 C ATOM 1734 CG ARG A 114 14.834 1.859 -8.692 1.00 0.00 C ATOM 1735 CD ARG A 114 15.554 1.790 -10.030 1.00 0.00 C ATOM 1736 NE ARG A 114 15.155 0.621 -10.807 1.00 0.00 N ATOM 1737 CZ ARG A 114 15.519 -0.621 -10.507 1.00 0.00 C ATOM 1738 NH1 ARG A 114 16.287 -0.853 -9.452 1.00 0.00 N ATOM 1739 NH2 ARG A 114 15.115 -1.634 -11.263 1.00 0.00 N ATOM 0 H ARG A 114 11.003 2.749 -9.029 1.00 0.00 H new ATOM 0 HA ARG A 114 12.681 1.115 -7.386 1.00 0.00 H new ATOM 0 HB2 ARG A 114 13.021 2.191 -9.778 1.00 0.00 H new ATOM 0 HB3 ARG A 114 13.580 3.583 -8.872 1.00 0.00 H new ATOM 0 HG2 ARG A 114 15.434 2.430 -7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 114 14.728 0.855 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 114 15.344 2.694 -10.602 1.00 0.00 H new ATOM 0 HD3 ARG A 114 16.631 1.763 -9.861 1.00 0.00 H new ATOM 0 HE ARG A 114 14.564 0.765 -11.626 1.00 0.00 H new ATOM 0 HH11 ARG A 114 16.600 -0.077 -8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 114 16.565 -1.807 -9.224 1.00 0.00 H new ATOM 0 HH21 ARG A 114 14.524 -1.460 -12.076 1.00 0.00 H new ATOM 0 HH22 ARG A 114 15.395 -2.587 -11.031 1.00 0.00 H new ATOM 1753 N THR A 115 13.130 2.460 -5.372 1.00 0.00 N ATOM 1754 CA THR A 115 13.400 3.218 -4.157 1.00 0.00 C ATOM 1755 C THR A 115 14.496 4.253 -4.386 1.00 0.00 C ATOM 1756 O THR A 115 15.450 4.027 -5.130 1.00 0.00 O ATOM 1757 CB THR A 115 13.818 2.293 -2.998 1.00 0.00 C ATOM 1758 OG1 THR A 115 14.792 1.347 -3.453 1.00 0.00 O ATOM 1759 CG2 THR A 115 12.613 1.556 -2.433 1.00 0.00 C ATOM 0 H THR A 115 13.254 1.452 -5.276 1.00 0.00 H new ATOM 0 HA THR A 115 12.474 3.727 -3.890 1.00 0.00 H new ATOM 0 HB THR A 115 14.251 2.908 -2.209 1.00 0.00 H new ATOM 0 HG1 THR A 115 14.337 0.570 -3.840 1.00 0.00 H new ATOM 0 HG21 THR A 115 12.932 0.909 -1.616 1.00 0.00 H new ATOM 0 HG22 THR A 115 11.886 2.278 -2.061 1.00 0.00 H new ATOM 0 HG23 THR A 115 12.156 0.952 -3.217 1.00 0.00 H new ATOM 1767 N PRO A 116 14.359 5.416 -3.732 1.00 0.00 N ATOM 1768 CA PRO A 116 15.329 6.508 -3.848 1.00 0.00 C ATOM 1769 C PRO A 116 16.659 6.176 -3.179 1.00 0.00 C ATOM 1770 O PRO A 116 16.946 5.015 -2.887 1.00 0.00 O ATOM 1771 CB PRO A 116 14.643 7.671 -3.126 1.00 0.00 C ATOM 1772 CG PRO A 116 13.709 7.021 -2.164 1.00 0.00 C ATOM 1773 CD PRO A 116 13.246 5.754 -2.828 1.00 0.00 C ATOM 0 HA PRO A 116 15.579 6.722 -4.887 1.00 0.00 H new ATOM 0 HB2 PRO A 116 15.368 8.300 -2.610 1.00 0.00 H new ATOM 0 HB3 PRO A 116 14.107 8.311 -3.827 1.00 0.00 H new ATOM 0 HG2 PRO A 116 14.209 6.806 -1.219 1.00 0.00 H new ATOM 0 HG3 PRO A 116 12.866 7.673 -1.937 1.00 0.00 H new ATOM 0 HD2 PRO A 116 13.064 4.963 -2.101 1.00 0.00 H new ATOM 0 HD3 PRO A 116 12.315 5.904 -3.375 1.00 0.00 H new ATOM 1781 N LYS A 117 17.467 7.203 -2.939 1.00 0.00 N ATOM 1782 CA LYS A 117 18.767 7.021 -2.303 1.00 0.00 C ATOM 1783 C LYS A 117 19.031 8.123 -1.282 1.00 0.00 C ATOM 1784 O LYS A 117 18.453 9.206 -1.360 1.00 0.00 O ATOM 1785 CB LYS A 117 19.876 7.010 -3.356 1.00 0.00 C ATOM 1786 CG LYS A 117 19.852 5.784 -4.252 1.00 0.00 C ATOM 1787 CD LYS A 117 20.817 4.717 -3.763 1.00 0.00 C ATOM 1788 CE LYS A 117 20.317 4.058 -2.486 1.00 0.00 C ATOM 1789 NZ LYS A 117 21.205 2.943 -2.053 1.00 0.00 N ATOM 0 H LYS A 117 17.245 8.170 -3.175 1.00 0.00 H new ATOM 0 HA LYS A 117 18.759 6.063 -1.784 1.00 0.00 H new ATOM 0 HB2 LYS A 117 19.787 7.903 -3.974 1.00 0.00 H new ATOM 0 HB3 LYS A 117 20.842 7.064 -2.854 1.00 0.00 H new ATOM 0 HG2 LYS A 117 18.842 5.375 -4.284 1.00 0.00 H new ATOM 0 HG3 LYS A 117 20.112 6.072 -5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 117 20.948 3.961 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 117 21.795 5.163 -3.585 1.00 0.00 H new ATOM 0 HE2 LYS A 117 20.256 4.803 -1.693 1.00 0.00 H new ATOM 0 HE3 LYS A 117 19.308 3.678 -2.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 20.629 2.106 -1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 21.870 2.712 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 21.737 3.231 -1.207 1.00 0.00 H new ATOM 1803 N ALA A 118 19.910 7.839 -0.326 1.00 0.00 N ATOM 1804 CA ALA A 118 20.253 8.808 0.708 1.00 0.00 C ATOM 1805 C ALA A 118 21.253 9.834 0.188 1.00 0.00 C ATOM 1806 O ALA A 118 22.233 10.157 0.860 1.00 0.00 O ATOM 1807 CB ALA A 118 20.812 8.097 1.932 1.00 0.00 C ATOM 0 H ALA A 118 20.397 6.946 -0.246 1.00 0.00 H new ATOM 0 HA ALA A 118 19.343 9.337 0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 118 21.064 8.832 2.696 1.00 0.00 H new ATOM 0 HB2 ALA A 118 20.065 7.407 2.325 1.00 0.00 H new ATOM 0 HB3 ALA A 118 21.708 7.542 1.653 1.00 0.00 H new ATOM 1813 N SER A 119 21.000 10.345 -1.013 1.00 0.00 N ATOM 1814 CA SER A 119 21.881 11.332 -1.625 1.00 0.00 C ATOM 1815 C SER A 119 21.461 12.748 -1.241 1.00 0.00 C ATOM 1816 O SER A 119 21.337 13.624 -2.095 1.00 0.00 O ATOM 1817 CB SER A 119 21.872 11.181 -3.148 1.00 0.00 C ATOM 1818 OG SER A 119 23.021 11.775 -3.726 1.00 0.00 O ATOM 0 H SER A 119 20.192 10.091 -1.581 1.00 0.00 H new ATOM 0 HA SER A 119 22.892 11.158 -1.256 1.00 0.00 H new ATOM 0 HB2 SER A 119 21.834 10.124 -3.412 1.00 0.00 H new ATOM 0 HB3 SER A 119 20.974 11.644 -3.557 1.00 0.00 H new ATOM 0 HG SER A 119 23.076 12.715 -3.453 1.00 0.00 H new ATOM 1824 N GLY A 120 21.243 12.963 0.053 1.00 0.00 N ATOM 1825 CA GLY A 120 20.839 14.273 0.529 1.00 0.00 C ATOM 1826 C GLY A 120 19.651 14.826 -0.233 1.00 0.00 C ATOM 1827 O GLY A 120 19.155 14.215 -1.180 1.00 0.00 O ATOM 0 H GLY A 120 21.339 12.254 0.780 1.00 0.00 H new ATOM 0 HA2 GLY A 120 20.590 14.210 1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 120 21.678 14.963 0.439 1.00 0.00 H new ATOM 1831 N PRO A 121 19.174 16.008 0.183 1.00 0.00 N ATOM 1832 CA PRO A 121 18.031 16.669 -0.452 1.00 0.00 C ATOM 1833 C PRO A 121 18.361 17.183 -1.849 1.00 0.00 C ATOM 1834 O PRO A 121 19.506 17.531 -2.139 1.00 0.00 O ATOM 1835 CB PRO A 121 17.727 17.837 0.489 1.00 0.00 C ATOM 1836 CG PRO A 121 19.021 18.119 1.172 1.00 0.00 C ATOM 1837 CD PRO A 121 19.716 16.792 1.306 1.00 0.00 C ATOM 0 HA PRO A 121 17.192 15.987 -0.591 1.00 0.00 H new ATOM 0 HB2 PRO A 121 17.372 18.708 -0.062 1.00 0.00 H new ATOM 0 HB3 PRO A 121 16.949 17.575 1.206 1.00 0.00 H new ATOM 0 HG2 PRO A 121 19.624 18.819 0.593 1.00 0.00 H new ATOM 0 HG3 PRO A 121 18.856 18.573 2.149 1.00 0.00 H new ATOM 0 HD2 PRO A 121 20.799 16.897 1.237 1.00 0.00 H new ATOM 0 HD3 PRO A 121 19.502 16.321 2.265 1.00 0.00 H new ATOM 1845 N SER A 122 17.351 17.229 -2.712 1.00 0.00 N ATOM 1846 CA SER A 122 17.535 17.698 -4.081 1.00 0.00 C ATOM 1847 C SER A 122 17.200 19.182 -4.196 1.00 0.00 C ATOM 1848 O SER A 122 16.046 19.582 -4.047 1.00 0.00 O ATOM 1849 CB SER A 122 16.661 16.889 -5.041 1.00 0.00 C ATOM 1850 OG SER A 122 17.140 15.562 -5.173 1.00 0.00 O ATOM 0 H SER A 122 16.397 16.947 -2.488 1.00 0.00 H new ATOM 0 HA SER A 122 18.582 17.558 -4.350 1.00 0.00 H new ATOM 0 HB2 SER A 122 15.634 16.873 -4.677 1.00 0.00 H new ATOM 0 HB3 SER A 122 16.645 17.372 -6.018 1.00 0.00 H new ATOM 0 HG SER A 122 16.563 15.066 -5.790 1.00 0.00 H new ATOM 1856 N SER A 123 18.219 19.993 -4.464 1.00 0.00 N ATOM 1857 CA SER A 123 18.035 21.433 -4.596 1.00 0.00 C ATOM 1858 C SER A 123 18.868 21.983 -5.750 1.00 0.00 C ATOM 1859 O SER A 123 19.931 21.455 -6.070 1.00 0.00 O ATOM 1860 CB SER A 123 18.417 22.139 -3.294 1.00 0.00 C ATOM 1861 OG SER A 123 19.825 22.228 -3.156 1.00 0.00 O ATOM 0 H SER A 123 19.180 19.677 -4.594 1.00 0.00 H new ATOM 0 HA SER A 123 16.983 21.622 -4.808 1.00 0.00 H new ATOM 0 HB2 SER A 123 17.983 23.139 -3.278 1.00 0.00 H new ATOM 0 HB3 SER A 123 17.999 21.596 -2.446 1.00 0.00 H new ATOM 0 HG SER A 123 20.043 22.685 -2.317 1.00 0.00 H new ATOM 1867 N GLY A 124 18.374 23.051 -6.371 1.00 0.00 N ATOM 1868 CA GLY A 124 19.085 23.656 -7.483 1.00 0.00 C ATOM 1869 C GLY A 124 18.171 24.463 -8.384 1.00 0.00 C ATOM 1870 O GLY A 124 18.200 24.311 -9.605 1.00 0.00 O ATOM 0 H GLY A 124 17.496 23.507 -6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 124 19.874 24.302 -7.098 1.00 0.00 H new ATOM 0 HA3 GLY A 124 19.570 22.875 -8.068 1.00 0.00 H new TER 1874 GLY A 124