USER MOD reduce.3.24.130724 H: found=0, std=0, add=914, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 914 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 11 TYR OH : rot 157:sc= 0.0635 USER MOD Set 1.2: A 106 THR OG1 : rot 84:sc= 0.839 USER MOD Set 2.1: A 14 GLN : amide:sc= -0.461 K(o=-0.21,f=-1) USER MOD Set 2.2: A 98 GLN : amide:sc= 0.254 K(o=-0.21,f=-1) USER MOD Set 3.1: A 84 ASN : amide:sc= 1.17 K(o=1.9,f=-2.4) USER MOD Set 3.2: A 87 LYS NZ :NH3+ 139:sc= 0.771 (180deg=0) USER MOD Set 4.1: A 64 GLN : amide:sc= 0.268 K(o=0.61,f=-0.28) USER MOD Set 4.2: A 68 ASN : amide:sc= 0.339 K(o=0.61,f=-1.1) USER MOD Set 5.1: A 42 CYS SG : rot -26:sc= 0.0514 USER MOD Set 5.2: A 62 CYS SG : rot -135:sc= 0.687 USER MOD Set 6.1: A 17 GLN : amide:sc= 0.696 K(o=2.3,f=-4.9) USER MOD Set 6.2: A 20 LYS NZ :NH3+ 172:sc= 1.61 (180deg=0.563) USER MOD Single : A 3 GLN : amide:sc= 0.587 K(o=0.59,f=-0.25) USER MOD Single : A 6 SER OG : rot -35:sc= 0.349 USER MOD Single : A 7 GLN : amide:sc= 0.362 X(o=0.36,f=0) USER MOD Single : A 8 HIS : no HE2:sc= -0.179 K(o=-0.18,f=-0.82) USER MOD Single : A 16 LYS NZ :NH3+ -110:sc= 1.25 (180deg=-0.364) USER MOD Single : A 21 THR OG1 : rot 9:sc= 0.137 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 170:sc= 0.019 USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 50 THR OG1 : rot 67:sc= 0.696 USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= 1.25 (180deg=0.509) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot -37:sc= 0.0123 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0727) USER MOD Single : A 93 LYS NZ :NH3+ 144:sc= 1.34 (180deg=-0.000299) USER MOD Single : A 96 ASN : amide:sc= 0.593 K(o=0.59,f=0) USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 GLN : amide:sc= 0.0323 K(o=0.032,f=-2.7!) USER MOD Single : A 111 LYS NZ :NH3+ -143:sc= 1.78 (180deg=0.145) USER MOD ----------------------------------------------------------------- ATOM 43 N GLY A 2 1.245 1.030 1.763 1.00 25.00 N ATOM 44 CA GLY A 2 0.747 1.786 2.904 1.00 25.00 C ATOM 45 C GLY A 2 0.204 3.151 2.550 1.00 25.00 C ATOM 46 O GLY A 2 -0.725 3.641 3.195 1.00 25.00 O ATOM 0 HA2 GLY A 2 -0.039 1.210 3.393 1.00 25.00 H new ATOM 0 HA3 GLY A 2 1.553 1.904 3.628 1.00 25.00 H new ATOM 50 N GLN A 3 0.777 3.791 1.542 1.00 25.00 N ATOM 51 CA GLN A 3 0.379 5.159 1.215 1.00 25.00 C ATOM 52 C GLN A 3 -1.034 5.173 0.663 1.00 25.00 C ATOM 53 O GLN A 3 -1.845 6.025 1.008 1.00 25.00 O ATOM 54 CB GLN A 3 1.329 5.783 0.186 1.00 25.00 C ATOM 55 CG GLN A 3 2.806 5.759 0.582 1.00 25.00 C ATOM 56 CD GLN A 3 3.080 6.381 1.940 1.00 25.00 C ATOM 57 OE1 GLN A 3 2.468 7.365 2.334 1.00 25.00 O ATOM 58 NE2 GLN A 3 4.012 5.814 2.654 1.00 25.00 N ATOM 0 H GLN A 3 1.505 3.399 0.945 1.00 25.00 H new ATOM 0 HA GLN A 3 0.424 5.746 2.132 1.00 25.00 H new ATOM 0 HB2 GLN A 3 1.212 5.257 -0.762 1.00 25.00 H new ATOM 0 HB3 GLN A 3 1.029 6.817 0.016 1.00 25.00 H new ATOM 0 HG2 GLN A 3 3.156 4.727 0.587 1.00 25.00 H new ATOM 0 HG3 GLN A 3 3.385 6.288 -0.175 1.00 25.00 H new ATOM 0 HE21 GLN A 3 4.502 4.995 2.295 1.00 25.00 H new ATOM 0 HE22 GLN A 3 4.251 6.190 3.572 1.00 25.00 H new ATOM 67 N GLU A 4 -1.326 4.218 -0.198 1.00 25.00 N ATOM 68 CA GLU A 4 -2.632 4.121 -0.830 1.00 25.00 C ATOM 69 C GLU A 4 -3.699 3.674 0.167 1.00 25.00 C ATOM 70 O GLU A 4 -4.846 4.106 0.090 1.00 25.00 O ATOM 71 CB GLU A 4 -2.561 3.190 -2.052 1.00 25.00 C ATOM 72 CG GLU A 4 -1.947 1.798 -1.822 1.00 25.00 C ATOM 73 CD GLU A 4 -0.445 1.755 -2.147 1.00 25.00 C ATOM 74 OE1 GLU A 4 0.346 2.404 -1.419 1.00 25.00 O ATOM 75 OE2 GLU A 4 -0.054 1.081 -3.127 1.00 25.00 O ATOM 0 H GLU A 4 -0.670 3.490 -0.480 1.00 25.00 H new ATOM 0 HA GLU A 4 -2.925 5.111 -1.179 1.00 25.00 H new ATOM 0 HB2 GLU A 4 -3.572 3.057 -2.438 1.00 25.00 H new ATOM 0 HB3 GLU A 4 -1.986 3.692 -2.830 1.00 25.00 H new ATOM 0 HG2 GLU A 4 -2.099 1.505 -0.783 1.00 25.00 H new ATOM 0 HG3 GLU A 4 -2.470 1.067 -2.439 1.00 25.00 H new ATOM 82 N LEU A 5 -3.312 2.882 1.157 1.00 25.00 N ATOM 83 CA LEU A 5 -4.249 2.472 2.207 1.00 25.00 C ATOM 84 C LEU A 5 -4.668 3.679 3.049 1.00 25.00 C ATOM 85 O LEU A 5 -5.838 3.821 3.389 1.00 25.00 O ATOM 86 CB LEU A 5 -3.629 1.396 3.102 1.00 25.00 C ATOM 87 CG LEU A 5 -3.623 -0.037 2.538 1.00 25.00 C ATOM 88 CD1 LEU A 5 -2.784 -0.935 3.450 1.00 25.00 C ATOM 89 CD2 LEU A 5 -5.027 -0.622 2.406 1.00 25.00 C ATOM 0 H LEU A 5 -2.367 2.511 1.260 1.00 25.00 H new ATOM 0 HA LEU A 5 -5.133 2.053 1.727 1.00 25.00 H new ATOM 0 HB2 LEU A 5 -2.600 1.683 3.320 1.00 25.00 H new ATOM 0 HB3 LEU A 5 -4.166 1.389 4.051 1.00 25.00 H new ATOM 0 HG LEU A 5 -3.194 0.008 1.537 1.00 25.00 H new ATOM 0 HD11 LEU A 5 -2.777 -1.951 3.054 1.00 25.00 H new ATOM 0 HD12 LEU A 5 -1.763 -0.556 3.494 1.00 25.00 H new ATOM 0 HD13 LEU A 5 -3.213 -0.939 4.452 1.00 25.00 H new ATOM 0 HD21 LEU A 5 -4.964 -1.633 2.004 1.00 25.00 H new ATOM 0 HD22 LEU A 5 -5.503 -0.651 3.386 1.00 25.00 H new ATOM 0 HD23 LEU A 5 -5.618 -0.001 1.734 1.00 25.00 H new ATOM 101 N SER A 6 -3.733 4.580 3.330 1.00 25.00 N ATOM 102 CA SER A 6 -4.041 5.821 4.056 1.00 25.00 C ATOM 103 C SER A 6 -4.925 6.789 3.260 1.00 25.00 C ATOM 104 O SER A 6 -5.364 7.805 3.800 1.00 25.00 O ATOM 105 CB SER A 6 -2.748 6.556 4.423 1.00 25.00 C ATOM 106 OG SER A 6 -3.006 7.579 5.373 1.00 25.00 O ATOM 0 H SER A 6 -2.752 4.480 3.068 1.00 25.00 H new ATOM 0 HA SER A 6 -4.590 5.514 4.946 1.00 25.00 H new ATOM 0 HB2 SER A 6 -2.025 5.849 4.829 1.00 25.00 H new ATOM 0 HB3 SER A 6 -2.302 6.988 3.527 1.00 25.00 H new ATOM 0 HG SER A 6 -3.883 7.978 5.194 1.00 25.00 H new ATOM 112 N GLN A 7 -5.168 6.494 1.988 1.00 25.00 N ATOM 113 CA GLN A 7 -6.009 7.340 1.137 1.00 25.00 C ATOM 114 C GLN A 7 -7.350 6.665 0.834 1.00 25.00 C ATOM 115 O GLN A 7 -8.275 7.300 0.337 1.00 25.00 O ATOM 116 CB GLN A 7 -5.283 7.635 -0.180 1.00 25.00 C ATOM 117 CG GLN A 7 -4.016 8.464 -0.005 1.00 25.00 C ATOM 118 CD GLN A 7 -3.225 8.571 -1.287 1.00 25.00 C ATOM 119 OE1 GLN A 7 -3.535 9.364 -2.160 1.00 25.00 O ATOM 120 NE2 GLN A 7 -2.205 7.766 -1.409 1.00 25.00 N ATOM 0 H GLN A 7 -4.793 5.670 1.517 1.00 25.00 H new ATOM 0 HA GLN A 7 -6.203 8.269 1.673 1.00 25.00 H new ATOM 0 HB2 GLN A 7 -5.027 6.692 -0.663 1.00 25.00 H new ATOM 0 HB3 GLN A 7 -5.963 8.162 -0.850 1.00 25.00 H new ATOM 0 HG2 GLN A 7 -4.282 9.463 0.341 1.00 25.00 H new ATOM 0 HG3 GLN A 7 -3.393 8.014 0.768 1.00 25.00 H new ATOM 0 HE21 GLN A 7 -1.976 7.116 -0.657 1.00 25.00 H new ATOM 0 HE22 GLN A 7 -1.637 7.787 -2.256 1.00 25.00 H new ATOM 129 N HIS A 8 -7.455 5.375 1.121 1.00 25.00 N ATOM 130 CA HIS A 8 -8.680 4.633 0.839 1.00 25.00 C ATOM 131 C HIS A 8 -9.707 4.876 1.939 1.00 25.00 C ATOM 132 O HIS A 8 -9.687 4.209 2.959 1.00 25.00 O ATOM 133 CB HIS A 8 -8.385 3.137 0.726 1.00 25.00 C ATOM 134 CG HIS A 8 -9.501 2.360 0.101 1.00 25.00 C ATOM 135 ND1 HIS A 8 -9.608 2.109 -1.244 1.00 25.00 N ATOM 136 CD2 HIS A 8 -10.595 1.772 0.657 1.00 25.00 C ATOM 137 CE1 HIS A 8 -10.720 1.410 -1.449 1.00 25.00 C ATOM 138 NE2 HIS A 8 -11.367 1.183 -0.324 1.00 25.00 N ATOM 0 H HIS A 8 -6.712 4.821 1.547 1.00 25.00 H new ATOM 0 HA HIS A 8 -9.085 4.984 -0.110 1.00 25.00 H new ATOM 0 HB2 HIS A 8 -7.479 2.996 0.137 1.00 25.00 H new ATOM 0 HB3 HIS A 8 -8.185 2.737 1.720 1.00 25.00 H new ATOM 0 HD1 HIS A 8 -8.948 2.407 -1.962 1.00 25.00 H new ATOM 0 HD2 HIS A 8 -10.826 1.767 1.712 1.00 25.00 H new ATOM 0 HE1 HIS A 8 -11.052 1.070 -2.419 1.00 25.00 H new ATOM 146 N GLU A 9 -10.590 5.842 1.738 1.00 25.00 N ATOM 147 CA GLU A 9 -11.548 6.277 2.767 1.00 25.00 C ATOM 148 C GLU A 9 -12.242 5.155 3.553 1.00 25.00 C ATOM 149 O GLU A 9 -12.321 5.214 4.770 1.00 25.00 O ATOM 150 CB GLU A 9 -12.624 7.149 2.121 1.00 25.00 C ATOM 151 CG GLU A 9 -12.078 8.393 1.435 1.00 25.00 C ATOM 152 CD GLU A 9 -13.185 9.233 0.825 1.00 25.00 C ATOM 153 OE1 GLU A 9 -13.953 8.689 -0.001 1.00 25.00 O ATOM 154 OE2 GLU A 9 -13.298 10.427 1.173 1.00 25.00 O ATOM 0 H GLU A 9 -10.670 6.353 0.859 1.00 25.00 H new ATOM 0 HA GLU A 9 -10.946 6.821 3.495 1.00 25.00 H new ATOM 0 HB2 GLU A 9 -13.171 6.553 1.390 1.00 25.00 H new ATOM 0 HB3 GLU A 9 -13.340 7.452 2.885 1.00 25.00 H new ATOM 0 HG2 GLU A 9 -11.523 8.992 2.157 1.00 25.00 H new ATOM 0 HG3 GLU A 9 -11.374 8.099 0.657 1.00 25.00 H new ATOM 161 N ARG A 10 -12.712 4.120 2.868 1.00 25.00 N ATOM 162 CA ARG A 10 -13.429 3.013 3.532 1.00 25.00 C ATOM 163 C ARG A 10 -12.556 2.300 4.566 1.00 25.00 C ATOM 164 O ARG A 10 -13.033 1.841 5.605 1.00 25.00 O ATOM 165 CB ARG A 10 -13.882 1.986 2.490 1.00 25.00 C ATOM 166 CG ARG A 10 -14.734 2.560 1.365 1.00 25.00 C ATOM 167 CD ARG A 10 -15.024 1.487 0.331 1.00 25.00 C ATOM 168 NE ARG A 10 -15.705 2.042 -0.852 1.00 25.00 N ATOM 169 CZ ARG A 10 -16.000 1.358 -1.952 1.00 25.00 C ATOM 170 NH1 ARG A 10 -15.704 0.087 -2.089 1.00 25.00 N ATOM 171 NH2 ARG A 10 -16.603 1.967 -2.935 1.00 25.00 N ATOM 0 H ARG A 10 -12.616 4.014 1.858 1.00 25.00 H new ATOM 0 HA ARG A 10 -14.287 3.449 4.044 1.00 25.00 H new ATOM 0 HB2 ARG A 10 -13.000 1.514 2.056 1.00 25.00 H new ATOM 0 HB3 ARG A 10 -14.448 1.202 2.993 1.00 25.00 H new ATOM 0 HG2 ARG A 10 -15.669 2.949 1.769 1.00 25.00 H new ATOM 0 HG3 ARG A 10 -14.216 3.397 0.897 1.00 25.00 H new ATOM 0 HD2 ARG A 10 -14.091 1.014 0.025 1.00 25.00 H new ATOM 0 HD3 ARG A 10 -15.644 0.710 0.777 1.00 25.00 H new ATOM 0 HE ARG A 10 -15.970 3.027 -0.824 1.00 25.00 H new ATOM 0 HH11 ARG A 10 -15.231 -0.411 -1.335 1.00 25.00 H new ATOM 0 HH12 ARG A 10 -15.947 -0.403 -2.950 1.00 25.00 H new ATOM 0 HH21 ARG A 10 -16.842 2.955 -2.853 1.00 25.00 H new ATOM 0 HH22 ARG A 10 -16.836 1.455 -3.786 1.00 25.00 H new ATOM 185 N TYR A 11 -11.272 2.225 4.267 1.00 25.00 N ATOM 186 CA TYR A 11 -10.298 1.572 5.127 1.00 25.00 C ATOM 187 C TYR A 11 -9.845 2.548 6.204 1.00 25.00 C ATOM 188 O TYR A 11 -9.705 2.190 7.375 1.00 25.00 O ATOM 189 CB TYR A 11 -9.115 1.134 4.269 1.00 25.00 C ATOM 190 CG TYR A 11 -8.042 0.404 5.022 1.00 25.00 C ATOM 191 CD1 TYR A 11 -8.253 -0.907 5.484 1.00 25.00 C ATOM 192 CD2 TYR A 11 -6.794 1.008 5.263 1.00 25.00 C ATOM 193 CE1 TYR A 11 -7.234 -1.599 6.173 1.00 25.00 C ATOM 194 CE2 TYR A 11 -5.770 0.307 5.943 1.00 25.00 C ATOM 195 CZ TYR A 11 -6.000 -0.987 6.389 1.00 25.00 C ATOM 196 OH TYR A 11 -5.008 -1.671 7.036 1.00 25.00 O ATOM 0 H TYR A 11 -10.871 2.618 3.415 1.00 25.00 H new ATOM 0 HA TYR A 11 -10.736 0.700 5.612 1.00 25.00 H new ATOM 0 HB2 TYR A 11 -9.481 0.492 3.467 1.00 25.00 H new ATOM 0 HB3 TYR A 11 -8.677 2.014 3.798 1.00 25.00 H new ATOM 0 HD1 TYR A 11 -9.204 -1.389 5.310 1.00 25.00 H new ATOM 0 HD2 TYR A 11 -6.616 2.018 4.925 1.00 25.00 H new ATOM 0 HE1 TYR A 11 -7.410 -2.602 6.533 1.00 25.00 H new ATOM 0 HE2 TYR A 11 -4.813 0.777 6.114 1.00 25.00 H new ATOM 0 HH TYR A 11 -4.138 -1.286 6.800 1.00 25.00 H new ATOM 206 N VAL A 12 -9.665 3.799 5.806 1.00 25.00 N ATOM 207 CA VAL A 12 -9.285 4.866 6.730 1.00 25.00 C ATOM 208 C VAL A 12 -10.319 5.005 7.853 1.00 25.00 C ATOM 209 O VAL A 12 -9.935 5.144 9.006 1.00 25.00 O ATOM 210 CB VAL A 12 -9.105 6.225 5.971 1.00 25.00 C ATOM 211 CG1 VAL A 12 -8.823 7.386 6.932 1.00 25.00 C ATOM 212 CG2 VAL A 12 -7.935 6.127 4.984 1.00 25.00 C ATOM 0 H VAL A 12 -9.777 4.105 4.840 1.00 25.00 H new ATOM 0 HA VAL A 12 -8.328 4.600 7.178 1.00 25.00 H new ATOM 0 HB VAL A 12 -10.040 6.421 5.445 1.00 25.00 H new ATOM 0 HG11 VAL A 12 -8.705 8.308 6.363 1.00 25.00 H new ATOM 0 HG12 VAL A 12 -9.655 7.493 7.628 1.00 25.00 H new ATOM 0 HG13 VAL A 12 -7.908 7.183 7.489 1.00 25.00 H new ATOM 0 HG21 VAL A 12 -7.819 7.077 4.462 1.00 25.00 H new ATOM 0 HG22 VAL A 12 -7.019 5.897 5.528 1.00 25.00 H new ATOM 0 HG23 VAL A 12 -8.135 5.337 4.260 1.00 25.00 H new ATOM 222 N GLU A 13 -11.612 4.920 7.553 1.00 25.00 N ATOM 223 CA GLU A 13 -12.638 5.021 8.605 1.00 25.00 C ATOM 224 C GLU A 13 -12.471 3.927 9.660 1.00 25.00 C ATOM 225 O GLU A 13 -12.528 4.198 10.863 1.00 25.00 O ATOM 226 CB GLU A 13 -14.062 4.923 8.035 1.00 25.00 C ATOM 227 CG GLU A 13 -14.518 6.118 7.194 1.00 25.00 C ATOM 228 CD GLU A 13 -14.318 7.454 7.892 1.00 25.00 C ATOM 229 OE1 GLU A 13 -14.596 7.578 9.107 1.00 25.00 O ATOM 230 OE2 GLU A 13 -13.811 8.383 7.235 1.00 25.00 O ATOM 0 H GLU A 13 -11.977 4.784 6.610 1.00 25.00 H new ATOM 0 HA GLU A 13 -12.498 6.001 9.062 1.00 25.00 H new ATOM 0 HB2 GLU A 13 -14.129 4.023 7.423 1.00 25.00 H new ATOM 0 HB3 GLU A 13 -14.759 4.797 8.864 1.00 25.00 H new ATOM 0 HG2 GLU A 13 -13.969 6.122 6.252 1.00 25.00 H new ATOM 0 HG3 GLU A 13 -15.573 5.999 6.947 1.00 25.00 H new ATOM 237 N GLN A 14 -12.218 2.701 9.226 1.00 25.00 N ATOM 238 CA GLN A 14 -12.006 1.604 10.170 1.00 25.00 C ATOM 239 C GLN A 14 -10.749 1.875 10.980 1.00 25.00 C ATOM 240 O GLN A 14 -10.720 1.696 12.196 1.00 25.00 O ATOM 241 CB GLN A 14 -11.870 0.269 9.432 1.00 25.00 C ATOM 242 CG GLN A 14 -13.156 -0.204 8.768 1.00 25.00 C ATOM 243 CD GLN A 14 -14.240 -0.539 9.774 1.00 25.00 C ATOM 244 OE1 GLN A 14 -14.981 0.321 10.227 1.00 25.00 O ATOM 245 NE2 GLN A 14 -14.330 -1.788 10.132 1.00 25.00 N ATOM 0 H GLN A 14 -12.154 2.439 8.242 1.00 25.00 H new ATOM 0 HA GLN A 14 -12.868 1.541 10.834 1.00 25.00 H new ATOM 0 HB2 GLN A 14 -11.094 0.363 8.672 1.00 25.00 H new ATOM 0 HB3 GLN A 14 -11.536 -0.492 10.137 1.00 25.00 H new ATOM 0 HG2 GLN A 14 -13.519 0.571 8.093 1.00 25.00 H new ATOM 0 HG3 GLN A 14 -12.945 -1.084 8.160 1.00 25.00 H new ATOM 0 HE21 GLN A 14 -13.695 -2.480 9.734 1.00 25.00 H new ATOM 0 HE22 GLN A 14 -15.036 -2.074 10.811 1.00 25.00 H new ATOM 254 N LEU A 15 -9.710 2.359 10.325 1.00 25.00 N ATOM 255 CA LEU A 15 -8.470 2.660 11.021 1.00 25.00 C ATOM 256 C LEU A 15 -8.599 3.829 11.998 1.00 25.00 C ATOM 257 O LEU A 15 -7.850 3.889 12.969 1.00 25.00 O ATOM 258 CB LEU A 15 -7.352 2.946 10.029 1.00 25.00 C ATOM 259 CG LEU A 15 -6.637 1.753 9.377 1.00 25.00 C ATOM 260 CD1 LEU A 15 -5.461 2.315 8.599 1.00 25.00 C ATOM 261 CD2 LEU A 15 -6.122 0.719 10.395 1.00 25.00 C ATOM 0 H LEU A 15 -9.697 2.551 9.323 1.00 25.00 H new ATOM 0 HA LEU A 15 -8.229 1.773 11.606 1.00 25.00 H new ATOM 0 HB2 LEU A 15 -7.765 3.563 9.231 1.00 25.00 H new ATOM 0 HB3 LEU A 15 -6.599 3.547 10.540 1.00 25.00 H new ATOM 0 HG LEU A 15 -7.350 1.227 8.742 1.00 25.00 H new ATOM 0 HD11 LEU A 15 -4.921 1.500 8.117 1.00 25.00 H new ATOM 0 HD12 LEU A 15 -5.824 3.008 7.841 1.00 25.00 H new ATOM 0 HD13 LEU A 15 -4.792 2.841 9.280 1.00 25.00 H new ATOM 0 HD21 LEU A 15 -5.628 -0.097 9.867 1.00 25.00 H new ATOM 0 HD22 LEU A 15 -5.413 1.196 11.071 1.00 25.00 H new ATOM 0 HD23 LEU A 15 -6.961 0.324 10.969 1.00 25.00 H new ATOM 273 N LYS A 16 -9.563 4.723 11.802 1.00 25.00 N ATOM 274 CA LYS A 16 -9.780 5.820 12.761 1.00 25.00 C ATOM 275 C LYS A 16 -10.173 5.210 14.088 1.00 25.00 C ATOM 276 O LYS A 16 -9.828 5.735 15.146 1.00 25.00 O ATOM 277 CB LYS A 16 -10.895 6.774 12.315 1.00 25.00 C ATOM 278 CG LYS A 16 -10.543 7.695 11.158 1.00 25.00 C ATOM 279 CD LYS A 16 -11.766 8.509 10.769 1.00 25.00 C ATOM 280 CE LYS A 16 -11.520 9.352 9.526 1.00 25.00 C ATOM 281 NZ LYS A 16 -12.778 10.068 9.123 1.00 25.00 N ATOM 0 H LYS A 16 -10.200 4.718 11.005 1.00 25.00 H new ATOM 0 HA LYS A 16 -8.858 6.397 12.832 1.00 25.00 H new ATOM 0 HB2 LYS A 16 -11.765 6.181 12.033 1.00 25.00 H new ATOM 0 HB3 LYS A 16 -11.189 7.386 13.168 1.00 25.00 H new ATOM 0 HG2 LYS A 16 -9.727 8.359 11.443 1.00 25.00 H new ATOM 0 HG3 LYS A 16 -10.196 7.110 10.306 1.00 25.00 H new ATOM 0 HD2 LYS A 16 -12.606 7.838 10.591 1.00 25.00 H new ATOM 0 HD3 LYS A 16 -12.047 9.159 11.598 1.00 25.00 H new ATOM 0 HE2 LYS A 16 -10.728 10.075 9.720 1.00 25.00 H new ATOM 0 HE3 LYS A 16 -11.178 8.716 8.709 1.00 25.00 H new ATOM 0 HZ1 LYS A 16 -13.143 9.658 8.240 1.00 25.00 H new ATOM 0 HZ2 LYS A 16 -13.491 9.966 9.873 1.00 25.00 H new ATOM 0 HZ3 LYS A 16 -12.572 11.077 8.977 1.00 25.00 H new ATOM 295 N GLN A 17 -10.885 4.097 14.037 1.00 25.00 N ATOM 296 CA GLN A 17 -11.269 3.394 15.249 1.00 25.00 C ATOM 297 C GLN A 17 -10.139 2.480 15.711 1.00 25.00 C ATOM 298 O GLN A 17 -9.816 2.463 16.881 1.00 25.00 O ATOM 299 CB GLN A 17 -12.549 2.581 15.020 1.00 25.00 C ATOM 300 CG GLN A 17 -13.786 3.431 14.692 1.00 25.00 C ATOM 301 CD GLN A 17 -14.315 4.196 15.898 1.00 25.00 C ATOM 302 OE1 GLN A 17 -13.675 5.114 16.407 1.00 25.00 O ATOM 303 NE2 GLN A 17 -15.480 3.824 16.356 1.00 25.00 N ATOM 0 H GLN A 17 -11.208 3.662 13.173 1.00 25.00 H new ATOM 0 HA GLN A 17 -11.464 4.132 16.027 1.00 25.00 H new ATOM 0 HB2 GLN A 17 -12.378 1.878 14.204 1.00 25.00 H new ATOM 0 HB3 GLN A 17 -12.755 1.990 15.912 1.00 25.00 H new ATOM 0 HG2 GLN A 17 -13.536 4.138 13.901 1.00 25.00 H new ATOM 0 HG3 GLN A 17 -14.573 2.784 14.304 1.00 25.00 H new ATOM 0 HE21 GLN A 17 -15.983 3.058 15.908 1.00 25.00 H new ATOM 0 HE22 GLN A 17 -15.887 4.300 17.161 1.00 25.00 H new ATOM 312 N ALA A 18 -9.534 1.733 14.801 1.00 25.00 N ATOM 313 CA ALA A 18 -8.496 0.770 15.175 1.00 25.00 C ATOM 314 C ALA A 18 -7.220 1.404 15.776 1.00 25.00 C ATOM 315 O ALA A 18 -6.693 0.903 16.771 1.00 25.00 O ATOM 316 CB ALA A 18 -8.156 -0.105 13.972 1.00 25.00 C ATOM 0 H ALA A 18 -9.738 1.770 13.802 1.00 25.00 H new ATOM 0 HA ALA A 18 -8.912 0.163 15.979 1.00 25.00 H new ATOM 0 HB1 ALA A 18 -7.383 -0.822 14.250 1.00 25.00 H new ATOM 0 HB2 ALA A 18 -9.048 -0.641 13.648 1.00 25.00 H new ATOM 0 HB3 ALA A 18 -7.793 0.522 13.157 1.00 25.00 H new ATOM 322 N LEU A 19 -6.735 2.510 15.215 1.00 25.00 N ATOM 323 CA LEU A 19 -5.565 3.194 15.794 1.00 25.00 C ATOM 324 C LEU A 19 -5.958 3.720 17.182 1.00 25.00 C ATOM 325 O LEU A 19 -5.173 3.666 18.128 1.00 25.00 O ATOM 326 CB LEU A 19 -5.082 4.367 14.906 1.00 25.00 C ATOM 327 CG LEU A 19 -3.992 4.047 13.850 1.00 25.00 C ATOM 328 CD1 LEU A 19 -4.493 4.226 12.419 1.00 25.00 C ATOM 329 CD2 LEU A 19 -2.760 4.942 14.033 1.00 25.00 C ATOM 0 H LEU A 19 -7.119 2.949 14.378 1.00 25.00 H new ATOM 0 HA LEU A 19 -4.741 2.484 15.864 1.00 25.00 H new ATOM 0 HB2 LEU A 19 -5.948 4.777 14.386 1.00 25.00 H new ATOM 0 HB3 LEU A 19 -4.701 5.152 15.559 1.00 25.00 H new ATOM 0 HG LEU A 19 -3.729 3.001 14.008 1.00 25.00 H new ATOM 0 HD11 LEU A 19 -3.691 3.989 11.720 1.00 25.00 H new ATOM 0 HD12 LEU A 19 -5.337 3.559 12.243 1.00 25.00 H new ATOM 0 HD13 LEU A 19 -4.810 5.258 12.271 1.00 25.00 H new ATOM 0 HD21 LEU A 19 -2.014 4.693 13.278 1.00 25.00 H new ATOM 0 HD22 LEU A 19 -3.050 5.987 13.926 1.00 25.00 H new ATOM 0 HD23 LEU A 19 -2.339 4.782 15.026 1.00 25.00 H new ATOM 341 N LYS A 20 -7.194 4.196 17.302 1.00 25.00 N ATOM 342 CA LYS A 20 -7.703 4.736 18.569 1.00 25.00 C ATOM 343 C LYS A 20 -7.826 3.660 19.649 1.00 25.00 C ATOM 344 O LYS A 20 -7.440 3.892 20.787 1.00 25.00 O ATOM 345 CB LYS A 20 -9.071 5.394 18.341 1.00 25.00 C ATOM 346 CG LYS A 20 -9.638 6.128 19.559 1.00 25.00 C ATOM 347 CD LYS A 20 -11.129 6.487 19.393 1.00 25.00 C ATOM 348 CE LYS A 20 -11.384 7.583 18.346 1.00 25.00 C ATOM 349 NZ LYS A 20 -11.653 7.036 16.969 1.00 25.00 N ATOM 0 H LYS A 20 -7.868 4.221 16.537 1.00 25.00 H new ATOM 0 HA LYS A 20 -6.984 5.476 18.920 1.00 25.00 H new ATOM 0 HB2 LYS A 20 -8.986 6.100 17.515 1.00 25.00 H new ATOM 0 HB3 LYS A 20 -9.781 4.627 18.033 1.00 25.00 H new ATOM 0 HG2 LYS A 20 -9.514 5.505 20.444 1.00 25.00 H new ATOM 0 HG3 LYS A 20 -9.065 7.040 19.729 1.00 25.00 H new ATOM 0 HD2 LYS A 20 -11.681 5.591 19.110 1.00 25.00 H new ATOM 0 HD3 LYS A 20 -11.525 6.815 20.354 1.00 25.00 H new ATOM 0 HE2 LYS A 20 -12.234 8.188 18.662 1.00 25.00 H new ATOM 0 HE3 LYS A 20 -10.519 8.245 18.304 1.00 25.00 H new ATOM 0 HZ1 LYS A 20 -11.949 7.809 16.340 1.00 25.00 H new ATOM 0 HZ2 LYS A 20 -10.788 6.598 16.594 1.00 25.00 H new ATOM 0 HZ3 LYS A 20 -12.408 6.323 17.020 1.00 25.00 H new ATOM 363 N THR A 21 -8.343 2.490 19.302 1.00 25.00 N ATOM 364 CA THR A 21 -8.546 1.418 20.285 1.00 25.00 C ATOM 365 C THR A 21 -7.235 0.837 20.793 1.00 25.00 C ATOM 366 O THR A 21 -7.200 0.229 21.853 1.00 25.00 O ATOM 367 CB THR A 21 -9.384 0.257 19.700 1.00 25.00 C ATOM 368 OG1 THR A 21 -8.874 -0.107 18.418 1.00 25.00 O ATOM 369 CG2 THR A 21 -10.839 0.662 19.527 1.00 25.00 C ATOM 0 H THR A 21 -8.631 2.253 18.353 1.00 25.00 H new ATOM 0 HA THR A 21 -9.078 1.885 21.114 1.00 25.00 H new ATOM 0 HB THR A 21 -9.320 -0.579 20.396 1.00 25.00 H new ATOM 0 HG1 THR A 21 -8.027 0.360 18.258 1.00 25.00 H new ATOM 0 HG21 THR A 21 -11.403 -0.174 19.114 1.00 25.00 H new ATOM 0 HG22 THR A 21 -11.257 0.939 20.495 1.00 25.00 H new ATOM 0 HG23 THR A 21 -10.902 1.512 18.848 1.00 25.00 H new ATOM 377 N ARG A 22 -6.145 1.053 20.066 1.00 25.00 N ATOM 378 CA ARG A 22 -4.835 0.598 20.535 1.00 25.00 C ATOM 379 C ARG A 22 -4.379 1.486 21.702 1.00 25.00 C ATOM 380 O ARG A 22 -3.546 1.089 22.502 1.00 25.00 O ATOM 381 CB ARG A 22 -3.816 0.636 19.388 1.00 25.00 C ATOM 382 CG ARG A 22 -2.870 -0.584 19.320 1.00 25.00 C ATOM 383 CD ARG A 22 -1.988 -0.713 20.570 1.00 25.00 C ATOM 384 NE ARG A 22 -0.930 -1.725 20.419 1.00 25.00 N ATOM 385 CZ ARG A 22 -1.054 -3.022 20.688 1.00 25.00 C ATOM 386 NH1 ARG A 22 -2.172 -3.554 21.108 1.00 25.00 N ATOM 387 NH2 ARG A 22 -0.020 -3.795 20.525 1.00 25.00 N ATOM 0 H ARG A 22 -6.137 1.531 19.165 1.00 25.00 H new ATOM 0 HA ARG A 22 -4.909 -0.433 20.882 1.00 25.00 H new ATOM 0 HB2 ARG A 22 -4.356 0.713 18.444 1.00 25.00 H new ATOM 0 HB3 ARG A 22 -3.214 1.540 19.485 1.00 25.00 H new ATOM 0 HG2 ARG A 22 -3.461 -1.492 19.201 1.00 25.00 H new ATOM 0 HG3 ARG A 22 -2.235 -0.499 18.438 1.00 25.00 H new ATOM 0 HD2 ARG A 22 -1.532 0.253 20.789 1.00 25.00 H new ATOM 0 HD3 ARG A 22 -2.613 -0.972 21.425 1.00 25.00 H new ATOM 0 HE ARG A 22 -0.023 -1.404 20.079 1.00 25.00 H new ATOM 0 HH11 ARG A 22 -2.997 -2.969 21.242 1.00 25.00 H new ATOM 0 HH12 ARG A 22 -2.220 -4.554 21.302 1.00 25.00 H new ATOM 0 HH21 ARG A 22 0.863 -3.403 20.197 1.00 25.00 H new ATOM 0 HH22 ARG A 22 -0.092 -4.793 20.725 1.00 25.00 H new ATOM 401 N GLY A 23 -4.937 2.685 21.793 1.00 25.00 N ATOM 402 CA GLY A 23 -4.630 3.573 22.905 1.00 25.00 C ATOM 403 C GLY A 23 -3.238 4.166 22.841 1.00 25.00 C ATOM 404 O GLY A 23 -2.684 4.563 23.860 1.00 25.00 O ATOM 0 H GLY A 23 -5.600 3.063 21.116 1.00 25.00 H new ATOM 0 HA2 GLY A 23 -5.360 4.382 22.925 1.00 25.00 H new ATOM 0 HA3 GLY A 23 -4.739 3.022 23.839 1.00 25.00 H new ATOM 408 N VAL A 24 -2.657 4.214 21.650 1.00 25.00 N ATOM 409 CA VAL A 24 -1.284 4.695 21.491 1.00 25.00 C ATOM 410 C VAL A 24 -1.260 5.924 20.580 1.00 25.00 C ATOM 411 O VAL A 24 -2.044 6.037 19.636 1.00 25.00 O ATOM 412 CB VAL A 24 -0.355 3.539 20.976 1.00 25.00 C ATOM 413 CG1 VAL A 24 -0.653 3.182 19.512 1.00 25.00 C ATOM 414 CG2 VAL A 24 1.128 3.897 21.158 1.00 25.00 C ATOM 0 H VAL A 24 -3.109 3.928 20.781 1.00 25.00 H new ATOM 0 HA VAL A 24 -0.891 5.006 22.459 1.00 25.00 H new ATOM 0 HB VAL A 24 -0.569 2.658 21.581 1.00 25.00 H new ATOM 0 HG11 VAL A 24 0.010 2.378 19.191 1.00 25.00 H new ATOM 0 HG12 VAL A 24 -1.689 2.856 19.421 1.00 25.00 H new ATOM 0 HG13 VAL A 24 -0.491 4.058 18.884 1.00 25.00 H new ATOM 0 HG21 VAL A 24 1.748 3.078 20.793 1.00 25.00 H new ATOM 0 HG22 VAL A 24 1.355 4.803 20.596 1.00 25.00 H new ATOM 0 HG23 VAL A 24 1.335 4.065 22.215 1.00 25.00 H new ATOM 424 N LYS A 25 -0.387 6.872 20.896 1.00 25.00 N ATOM 425 CA LYS A 25 -0.287 8.118 20.134 1.00 25.00 C ATOM 426 C LYS A 25 0.590 7.911 18.897 1.00 25.00 C ATOM 427 O LYS A 25 1.784 8.185 18.916 1.00 25.00 O ATOM 428 CB LYS A 25 0.284 9.224 21.032 1.00 25.00 C ATOM 429 CG LYS A 25 0.222 10.624 20.424 1.00 25.00 C ATOM 430 CD LYS A 25 0.863 11.637 21.363 1.00 25.00 C ATOM 431 CE LYS A 25 0.775 13.049 20.795 1.00 25.00 C ATOM 432 NZ LYS A 25 1.437 14.043 21.713 1.00 25.00 N ATOM 0 H LYS A 25 0.266 6.805 21.677 1.00 25.00 H new ATOM 0 HA LYS A 25 -1.279 8.419 19.798 1.00 25.00 H new ATOM 0 HB2 LYS A 25 -0.261 9.226 21.976 1.00 25.00 H new ATOM 0 HB3 LYS A 25 1.322 8.987 21.264 1.00 25.00 H new ATOM 0 HG2 LYS A 25 0.736 10.633 19.463 1.00 25.00 H new ATOM 0 HG3 LYS A 25 -0.815 10.900 20.234 1.00 25.00 H new ATOM 0 HD2 LYS A 25 0.368 11.601 22.333 1.00 25.00 H new ATOM 0 HD3 LYS A 25 1.908 11.373 21.528 1.00 25.00 H new ATOM 0 HE2 LYS A 25 1.251 13.081 19.815 1.00 25.00 H new ATOM 0 HE3 LYS A 25 -0.270 13.322 20.651 1.00 25.00 H new ATOM 0 HZ1 LYS A 25 1.363 14.996 21.304 1.00 25.00 H new ATOM 0 HZ2 LYS A 25 0.966 14.027 22.640 1.00 25.00 H new ATOM 0 HZ3 LYS A 25 2.440 13.793 21.830 1.00 25.00 H new ATOM 446 N VAL A 26 -0.023 7.416 17.835 1.00 25.00 N ATOM 447 CA VAL A 26 0.661 7.157 16.564 1.00 25.00 C ATOM 448 C VAL A 26 -0.214 7.778 15.476 1.00 25.00 C ATOM 449 O VAL A 26 -1.433 7.624 15.493 1.00 25.00 O ATOM 450 CB VAL A 26 0.848 5.610 16.345 1.00 25.00 C ATOM 451 CG1 VAL A 26 1.384 5.290 14.959 1.00 25.00 C ATOM 452 CG2 VAL A 26 1.825 5.043 17.388 1.00 25.00 C ATOM 0 H VAL A 26 -1.015 7.179 17.823 1.00 25.00 H new ATOM 0 HA VAL A 26 1.660 7.592 16.547 1.00 25.00 H new ATOM 0 HB VAL A 26 -0.136 5.153 16.452 1.00 25.00 H new ATOM 0 HG11 VAL A 26 1.497 4.211 14.853 1.00 25.00 H new ATOM 0 HG12 VAL A 26 0.687 5.658 14.206 1.00 25.00 H new ATOM 0 HG13 VAL A 26 2.352 5.771 14.823 1.00 25.00 H new ATOM 0 HG21 VAL A 26 1.947 3.972 17.227 1.00 25.00 H new ATOM 0 HG22 VAL A 26 2.791 5.538 17.288 1.00 25.00 H new ATOM 0 HG23 VAL A 26 1.430 5.217 18.389 1.00 25.00 H new ATOM 462 N LYS A 27 0.390 8.531 14.564 1.00 25.00 N ATOM 463 CA LYS A 27 -0.356 9.175 13.478 1.00 25.00 C ATOM 464 C LYS A 27 -0.628 8.115 12.413 1.00 25.00 C ATOM 465 O LYS A 27 0.106 7.151 12.305 1.00 25.00 O ATOM 466 CB LYS A 27 0.501 10.317 12.903 1.00 25.00 C ATOM 467 CG LYS A 27 -0.201 11.315 11.993 1.00 25.00 C ATOM 468 CD LYS A 27 0.831 12.322 11.468 1.00 25.00 C ATOM 469 CE LYS A 27 0.220 13.353 10.519 1.00 25.00 C ATOM 470 NZ LYS A 27 -0.668 14.334 11.234 1.00 25.00 N ATOM 0 H LYS A 27 1.393 8.713 14.551 1.00 25.00 H new ATOM 0 HA LYS A 27 -1.300 9.591 13.830 1.00 25.00 H new ATOM 0 HB2 LYS A 27 0.937 10.867 13.737 1.00 25.00 H new ATOM 0 HB3 LYS A 27 1.327 9.874 12.347 1.00 25.00 H new ATOM 0 HG2 LYS A 27 -0.678 10.796 11.161 1.00 25.00 H new ATOM 0 HG3 LYS A 27 -0.989 11.833 12.539 1.00 25.00 H new ATOM 0 HD2 LYS A 27 1.291 12.838 12.311 1.00 25.00 H new ATOM 0 HD3 LYS A 27 1.626 11.785 10.951 1.00 25.00 H new ATOM 0 HE2 LYS A 27 1.019 13.893 10.011 1.00 25.00 H new ATOM 0 HE3 LYS A 27 -0.356 12.839 9.750 1.00 25.00 H new ATOM 0 HZ1 LYS A 27 -1.058 15.012 10.549 1.00 25.00 H new ATOM 0 HZ2 LYS A 27 -1.446 13.824 11.698 1.00 25.00 H new ATOM 0 HZ3 LYS A 27 -0.114 14.846 11.950 1.00 25.00 H new ATOM 484 N PHE A 28 -1.625 8.334 11.570 1.00 25.00 N ATOM 485 CA PHE A 28 -1.875 7.439 10.436 1.00 25.00 C ATOM 486 C PHE A 28 -0.636 7.320 9.571 1.00 25.00 C ATOM 487 O PHE A 28 -0.240 6.231 9.210 1.00 25.00 O ATOM 488 CB PHE A 28 -2.980 8.020 9.554 1.00 25.00 C ATOM 489 CG PHE A 28 -4.340 7.469 9.831 1.00 25.00 C ATOM 490 CD1 PHE A 28 -5.081 7.892 10.953 1.00 25.00 C ATOM 491 CD2 PHE A 28 -4.910 6.541 8.944 1.00 25.00 C ATOM 492 CE1 PHE A 28 -6.387 7.396 11.176 1.00 25.00 C ATOM 493 CE2 PHE A 28 -6.203 6.046 9.157 1.00 25.00 C ATOM 494 CZ PHE A 28 -6.948 6.477 10.270 1.00 25.00 C ATOM 0 H PHE A 28 -2.274 9.117 11.643 1.00 25.00 H new ATOM 0 HA PHE A 28 -2.158 6.465 10.836 1.00 25.00 H new ATOM 0 HB2 PHE A 28 -3.005 9.101 9.688 1.00 25.00 H new ATOM 0 HB3 PHE A 28 -2.731 7.834 8.509 1.00 25.00 H new ATOM 0 HD1 PHE A 28 -4.649 8.599 11.646 1.00 25.00 H new ATOM 0 HD2 PHE A 28 -4.345 6.205 8.087 1.00 25.00 H new ATOM 0 HE1 PHE A 28 -6.951 7.721 12.038 1.00 25.00 H new ATOM 0 HE2 PHE A 28 -6.628 5.333 8.466 1.00 25.00 H new ATOM 0 HZ PHE A 28 -7.949 6.103 10.429 1.00 25.00 H new ATOM 504 N ALA A 29 -0.018 8.452 9.268 1.00 25.00 N ATOM 505 CA ALA A 29 1.182 8.471 8.439 1.00 25.00 C ATOM 506 C ALA A 29 2.274 7.605 9.057 1.00 25.00 C ATOM 507 O ALA A 29 2.995 6.913 8.357 1.00 25.00 O ATOM 508 CB ALA A 29 1.682 9.906 8.294 1.00 25.00 C ATOM 0 H ALA A 29 -0.327 9.372 9.583 1.00 25.00 H new ATOM 0 HA ALA A 29 0.935 8.070 7.456 1.00 25.00 H new ATOM 0 HB1 ALA A 29 2.579 9.918 7.674 1.00 25.00 H new ATOM 0 HB2 ALA A 29 0.909 10.515 7.826 1.00 25.00 H new ATOM 0 HB3 ALA A 29 1.916 10.311 9.279 1.00 25.00 H new ATOM 514 N ASP A 30 2.389 7.668 10.374 1.00 25.00 N ATOM 515 CA ASP A 30 3.433 6.947 11.081 1.00 25.00 C ATOM 516 C ASP A 30 3.149 5.461 10.957 1.00 25.00 C ATOM 517 O ASP A 30 4.050 4.672 10.723 1.00 25.00 O ATOM 518 CB ASP A 30 3.451 7.302 12.574 1.00 25.00 C ATOM 519 CG ASP A 30 3.612 8.788 12.846 1.00 25.00 C ATOM 520 OD1 ASP A 30 3.950 9.572 11.934 1.00 25.00 O ATOM 521 OD2 ASP A 30 3.265 9.185 13.984 1.00 25.00 O ATOM 0 H ASP A 30 1.770 8.212 10.975 1.00 25.00 H new ATOM 0 HA ASP A 30 4.395 7.217 10.646 1.00 25.00 H new ATOM 0 HB2 ASP A 30 2.524 6.956 13.032 1.00 25.00 H new ATOM 0 HB3 ASP A 30 4.266 6.763 13.057 1.00 25.00 H new ATOM 526 N LEU A 31 1.888 5.076 11.128 1.00 25.00 N ATOM 527 CA LEU A 31 1.529 3.663 11.087 1.00 25.00 C ATOM 528 C LEU A 31 1.657 3.090 9.688 1.00 25.00 C ATOM 529 O LEU A 31 2.340 2.088 9.466 1.00 25.00 O ATOM 530 CB LEU A 31 0.103 3.412 11.597 1.00 25.00 C ATOM 531 CG LEU A 31 -0.310 1.923 11.531 1.00 25.00 C ATOM 532 CD1 LEU A 31 0.648 1.030 12.322 1.00 25.00 C ATOM 533 CD2 LEU A 31 -1.717 1.723 12.043 1.00 25.00 C ATOM 0 H LEU A 31 1.108 5.712 11.294 1.00 25.00 H new ATOM 0 HA LEU A 31 2.234 3.159 11.749 1.00 25.00 H new ATOM 0 HB2 LEU A 31 0.025 3.759 12.627 1.00 25.00 H new ATOM 0 HB3 LEU A 31 -0.597 4.004 11.007 1.00 25.00 H new ATOM 0 HG LEU A 31 -0.265 1.635 10.481 1.00 25.00 H new ATOM 0 HD11 LEU A 31 0.322 -0.008 12.250 1.00 25.00 H new ATOM 0 HD12 LEU A 31 1.654 1.123 11.913 1.00 25.00 H new ATOM 0 HD13 LEU A 31 0.652 1.337 13.368 1.00 25.00 H new ATOM 0 HD21 LEU A 31 -1.979 0.667 11.984 1.00 25.00 H new ATOM 0 HD22 LEU A 31 -1.778 2.055 13.080 1.00 25.00 H new ATOM 0 HD23 LEU A 31 -2.411 2.303 11.435 1.00 25.00 H new ATOM 545 N LEU A 32 0.980 3.716 8.744 1.00 25.00 N ATOM 546 CA LEU A 32 0.975 3.225 7.363 1.00 25.00 C ATOM 547 C LEU A 32 2.349 3.271 6.718 1.00 25.00 C ATOM 548 O LEU A 32 2.613 2.531 5.785 1.00 25.00 O ATOM 549 CB LEU A 32 -0.026 3.989 6.493 1.00 25.00 C ATOM 550 CG LEU A 32 -1.501 3.541 6.548 1.00 25.00 C ATOM 551 CD1 LEU A 32 -1.685 2.047 6.301 1.00 25.00 C ATOM 552 CD2 LEU A 32 -2.125 3.914 7.866 1.00 25.00 C ATOM 0 H LEU A 32 0.428 4.560 8.898 1.00 25.00 H new ATOM 0 HA LEU A 32 0.668 2.181 7.425 1.00 25.00 H new ATOM 0 HB2 LEU A 32 0.017 5.041 6.775 1.00 25.00 H new ATOM 0 HB3 LEU A 32 0.308 3.922 5.458 1.00 25.00 H new ATOM 0 HG LEU A 32 -2.004 4.068 5.738 1.00 25.00 H new ATOM 0 HD11 LEU A 32 -2.745 1.797 6.353 1.00 25.00 H new ATOM 0 HD12 LEU A 32 -1.300 1.791 5.314 1.00 25.00 H new ATOM 0 HD13 LEU A 32 -1.142 1.483 7.059 1.00 25.00 H new ATOM 0 HD21 LEU A 32 -3.165 3.588 7.881 1.00 25.00 H new ATOM 0 HD22 LEU A 32 -1.581 3.429 8.676 1.00 25.00 H new ATOM 0 HD23 LEU A 32 -2.082 4.995 7.996 1.00 25.00 H new ATOM 564 N LYS A 33 3.260 4.069 7.249 1.00 25.00 N ATOM 565 CA LYS A 33 4.644 4.037 6.752 1.00 25.00 C ATOM 566 C LYS A 33 5.252 2.642 6.937 1.00 25.00 C ATOM 567 O LYS A 33 6.050 2.193 6.125 1.00 25.00 O ATOM 568 CB LYS A 33 5.516 5.091 7.454 1.00 25.00 C ATOM 569 CG LYS A 33 7.000 5.063 7.039 1.00 25.00 C ATOM 570 CD LYS A 33 7.196 5.357 5.530 1.00 25.00 C ATOM 571 CE LYS A 33 8.619 5.050 5.069 1.00 25.00 C ATOM 572 NZ LYS A 33 9.647 5.897 5.759 1.00 25.00 N ATOM 0 H LYS A 33 3.084 4.733 8.003 1.00 25.00 H new ATOM 0 HA LYS A 33 4.617 4.273 5.688 1.00 25.00 H new ATOM 0 HB2 LYS A 33 5.110 6.080 7.243 1.00 25.00 H new ATOM 0 HB3 LYS A 33 5.449 4.942 8.532 1.00 25.00 H new ATOM 0 HG2 LYS A 33 7.552 5.798 7.625 1.00 25.00 H new ATOM 0 HG3 LYS A 33 7.422 4.086 7.274 1.00 25.00 H new ATOM 0 HD2 LYS A 33 6.490 4.762 4.950 1.00 25.00 H new ATOM 0 HD3 LYS A 33 6.968 6.404 5.332 1.00 25.00 H new ATOM 0 HE2 LYS A 33 8.837 3.998 5.254 1.00 25.00 H new ATOM 0 HE3 LYS A 33 8.689 5.206 3.992 1.00 25.00 H new ATOM 0 HZ1 LYS A 33 10.594 5.648 5.409 1.00 25.00 H new ATOM 0 HZ2 LYS A 33 9.459 6.901 5.562 1.00 25.00 H new ATOM 0 HZ3 LYS A 33 9.602 5.731 6.785 1.00 25.00 H new ATOM 586 N PHE A 34 4.850 1.933 7.976 1.00 25.00 N ATOM 587 CA PHE A 34 5.353 0.580 8.204 1.00 25.00 C ATOM 588 C PHE A 34 4.605 -0.451 7.364 1.00 25.00 C ATOM 589 O PHE A 34 5.171 -1.474 6.994 1.00 25.00 O ATOM 590 CB PHE A 34 5.363 0.267 9.693 1.00 25.00 C ATOM 591 CG PHE A 34 6.453 1.002 10.418 1.00 25.00 C ATOM 592 CD1 PHE A 34 6.237 2.307 10.879 1.00 25.00 C ATOM 593 CD2 PHE A 34 7.726 0.423 10.582 1.00 25.00 C ATOM 594 CE1 PHE A 34 7.269 3.044 11.493 1.00 25.00 C ATOM 595 CE2 PHE A 34 8.775 1.153 11.198 1.00 25.00 C ATOM 596 CZ PHE A 34 8.542 2.470 11.648 1.00 25.00 C ATOM 0 H PHE A 34 4.182 2.263 8.673 1.00 25.00 H new ATOM 0 HA PHE A 34 6.387 0.525 7.864 1.00 25.00 H new ATOM 0 HB2 PHE A 34 4.398 0.532 10.125 1.00 25.00 H new ATOM 0 HB3 PHE A 34 5.492 -0.806 9.837 1.00 25.00 H new ATOM 0 HD1 PHE A 34 5.262 2.756 10.762 1.00 25.00 H new ATOM 0 HD2 PHE A 34 7.905 -0.584 10.236 1.00 25.00 H new ATOM 0 HE1 PHE A 34 7.082 4.048 11.844 1.00 25.00 H new ATOM 0 HE2 PHE A 34 9.749 0.702 11.322 1.00 25.00 H new ATOM 0 HZ PHE A 34 9.339 3.034 12.110 1.00 25.00 H new ATOM 606 N PHE A 35 3.380 -0.132 6.964 1.00 25.00 N ATOM 607 CA PHE A 35 2.661 -0.946 5.973 1.00 25.00 C ATOM 608 C PHE A 35 3.381 -0.781 4.625 1.00 25.00 C ATOM 609 O PHE A 35 3.352 -1.653 3.774 1.00 25.00 O ATOM 610 CB PHE A 35 1.201 -0.493 5.817 1.00 25.00 C ATOM 611 CG PHE A 35 0.283 -0.949 6.931 1.00 25.00 C ATOM 612 CD1 PHE A 35 0.554 -0.662 8.286 1.00 25.00 C ATOM 613 CD2 PHE A 35 -0.888 -1.658 6.614 1.00 25.00 C ATOM 614 CE1 PHE A 35 -0.329 -1.090 9.305 1.00 25.00 C ATOM 615 CE2 PHE A 35 -1.779 -2.080 7.624 1.00 25.00 C ATOM 616 CZ PHE A 35 -1.497 -1.799 8.972 1.00 25.00 C ATOM 0 H PHE A 35 2.861 0.678 7.304 1.00 25.00 H new ATOM 0 HA PHE A 35 2.653 -1.985 6.304 1.00 25.00 H new ATOM 0 HB2 PHE A 35 1.175 0.595 5.763 1.00 25.00 H new ATOM 0 HB3 PHE A 35 0.816 -0.868 4.869 1.00 25.00 H new ATOM 0 HD1 PHE A 35 1.445 -0.110 8.548 1.00 25.00 H new ATOM 0 HD2 PHE A 35 -1.110 -1.884 5.581 1.00 25.00 H new ATOM 0 HE1 PHE A 35 -0.106 -0.872 10.339 1.00 25.00 H new ATOM 0 HE2 PHE A 35 -2.677 -2.619 7.361 1.00 25.00 H new ATOM 0 HZ PHE A 35 -2.174 -2.126 9.748 1.00 25.00 H new ATOM 626 N ASP A 36 4.062 0.340 4.459 1.00 25.00 N ATOM 627 CA ASP A 36 4.846 0.597 3.255 1.00 25.00 C ATOM 628 C ASP A 36 6.214 -0.084 3.328 1.00 25.00 C ATOM 629 O ASP A 36 6.837 -0.357 2.317 1.00 25.00 O ATOM 630 CB ASP A 36 5.045 2.104 3.096 1.00 25.00 C ATOM 631 CG ASP A 36 4.758 2.586 1.698 1.00 25.00 C ATOM 632 OD1 ASP A 36 3.847 2.040 1.037 1.00 25.00 O ATOM 633 OD2 ASP A 36 5.357 3.610 1.310 1.00 25.00 O ATOM 0 H ASP A 36 4.090 1.094 5.146 1.00 25.00 H new ATOM 0 HA ASP A 36 4.304 0.191 2.401 1.00 25.00 H new ATOM 0 HB2 ASP A 36 4.395 2.628 3.797 1.00 25.00 H new ATOM 0 HB3 ASP A 36 6.071 2.360 3.360 1.00 25.00 H new ATOM 638 N PHE A 37 6.680 -0.372 4.535 1.00 25.00 N ATOM 639 CA PHE A 37 7.980 -1.023 4.712 1.00 25.00 C ATOM 640 C PHE A 37 7.889 -2.489 4.272 1.00 25.00 C ATOM 641 O PHE A 37 8.766 -3.002 3.585 1.00 25.00 O ATOM 642 CB PHE A 37 8.420 -0.923 6.181 1.00 25.00 C ATOM 643 CG PHE A 37 9.910 -1.073 6.386 1.00 25.00 C ATOM 644 CD1 PHE A 37 10.538 -2.323 6.242 1.00 25.00 C ATOM 645 CD2 PHE A 37 10.693 0.045 6.737 1.00 25.00 C ATOM 646 CE1 PHE A 37 11.935 -2.465 6.445 1.00 25.00 C ATOM 647 CE2 PHE A 37 12.093 -0.085 6.944 1.00 25.00 C ATOM 648 CZ PHE A 37 12.712 -1.342 6.796 1.00 25.00 C ATOM 0 H PHE A 37 6.185 -0.169 5.403 1.00 25.00 H new ATOM 0 HA PHE A 37 8.724 -0.520 4.095 1.00 25.00 H new ATOM 0 HB2 PHE A 37 8.104 0.041 6.580 1.00 25.00 H new ATOM 0 HB3 PHE A 37 7.905 -1.691 6.757 1.00 25.00 H new ATOM 0 HD1 PHE A 37 9.949 -3.187 5.973 1.00 25.00 H new ATOM 0 HD2 PHE A 37 10.224 1.011 6.850 1.00 25.00 H new ATOM 0 HE1 PHE A 37 12.403 -3.432 6.331 1.00 25.00 H new ATOM 0 HE2 PHE A 37 12.682 0.779 7.215 1.00 25.00 H new ATOM 0 HZ PHE A 37 13.776 -1.445 6.951 1.00 25.00 H new ATOM 658 N VAL A 38 6.791 -3.149 4.623 1.00 25.00 N ATOM 659 CA VAL A 38 6.577 -4.544 4.212 1.00 25.00 C ATOM 660 C VAL A 38 6.386 -4.622 2.690 1.00 25.00 C ATOM 661 O VAL A 38 6.746 -5.619 2.075 1.00 25.00 O ATOM 662 CB VAL A 38 5.376 -5.213 4.996 1.00 25.00 C ATOM 663 CG1 VAL A 38 4.177 -4.311 5.068 1.00 25.00 C ATOM 664 CG2 VAL A 38 4.962 -6.559 4.380 1.00 25.00 C ATOM 0 H VAL A 38 6.039 -2.751 5.185 1.00 25.00 H new ATOM 0 HA VAL A 38 7.467 -5.117 4.472 1.00 25.00 H new ATOM 0 HB VAL A 38 5.744 -5.389 6.007 1.00 25.00 H new ATOM 0 HG11 VAL A 38 3.378 -4.811 5.615 1.00 25.00 H new ATOM 0 HG12 VAL A 38 4.446 -3.388 5.582 1.00 25.00 H new ATOM 0 HG13 VAL A 38 3.836 -4.078 4.059 1.00 25.00 H new ATOM 0 HG21 VAL A 38 4.135 -6.981 4.951 1.00 25.00 H new ATOM 0 HG22 VAL A 38 4.649 -6.406 3.347 1.00 25.00 H new ATOM 0 HG23 VAL A 38 5.808 -7.246 4.405 1.00 25.00 H new ATOM 674 N LYS A 39 5.908 -3.545 2.076 1.00 25.00 N ATOM 675 CA LYS A 39 5.749 -3.490 0.613 1.00 25.00 C ATOM 676 C LYS A 39 7.088 -3.746 -0.077 1.00 25.00 C ATOM 677 O LYS A 39 7.146 -4.410 -1.107 1.00 25.00 O ATOM 678 CB LYS A 39 5.239 -2.102 0.203 1.00 25.00 C ATOM 679 CG LYS A 39 4.696 -1.992 -1.213 1.00 25.00 C ATOM 680 CD LYS A 39 4.568 -0.510 -1.593 1.00 25.00 C ATOM 681 CE LYS A 39 3.629 -0.288 -2.779 1.00 25.00 C ATOM 682 NZ LYS A 39 4.119 -0.953 -4.023 1.00 25.00 N ATOM 0 H LYS A 39 5.622 -2.695 2.561 1.00 25.00 H new ATOM 0 HA LYS A 39 5.035 -4.256 0.312 1.00 25.00 H new ATOM 0 HB2 LYS A 39 4.454 -1.804 0.898 1.00 25.00 H new ATOM 0 HB3 LYS A 39 6.054 -1.387 0.317 1.00 25.00 H new ATOM 0 HG2 LYS A 39 5.361 -2.502 -1.910 1.00 25.00 H new ATOM 0 HG3 LYS A 39 3.725 -2.482 -1.282 1.00 25.00 H new ATOM 0 HD2 LYS A 39 4.202 0.052 -0.734 1.00 25.00 H new ATOM 0 HD3 LYS A 39 5.554 -0.114 -1.836 1.00 25.00 H new ATOM 0 HE2 LYS A 39 2.639 -0.670 -2.532 1.00 25.00 H new ATOM 0 HE3 LYS A 39 3.522 0.782 -2.960 1.00 25.00 H new ATOM 0 HZ1 LYS A 39 3.450 -0.774 -4.799 1.00 25.00 H new ATOM 0 HZ2 LYS A 39 5.053 -0.571 -4.276 1.00 25.00 H new ATOM 0 HZ3 LYS A 39 4.196 -1.977 -3.862 1.00 25.00 H new ATOM 696 N ASP A 40 8.147 -3.197 0.498 1.00 25.00 N ATOM 697 CA ASP A 40 9.495 -3.320 -0.059 1.00 25.00 C ATOM 698 C ASP A 40 10.154 -4.658 0.281 1.00 25.00 C ATOM 699 O ASP A 40 10.595 -5.382 -0.602 1.00 25.00 O ATOM 700 CB ASP A 40 10.366 -2.188 0.487 1.00 25.00 C ATOM 701 CG ASP A 40 11.783 -2.236 -0.048 1.00 25.00 C ATOM 702 OD1 ASP A 40 11.986 -1.897 -1.232 1.00 25.00 O ATOM 703 OD2 ASP A 40 12.699 -2.580 0.732 1.00 25.00 O ATOM 0 H ASP A 40 8.102 -2.655 1.361 1.00 25.00 H new ATOM 0 HA ASP A 40 9.405 -3.263 -1.144 1.00 25.00 H new ATOM 0 HB2 ASP A 40 9.915 -1.230 0.228 1.00 25.00 H new ATOM 0 HB3 ASP A 40 10.390 -2.245 1.575 1.00 25.00 H new ATOM 708 N THR A 41 10.232 -4.982 1.567 1.00 25.00 N ATOM 709 CA THR A 41 10.942 -6.190 2.005 1.00 25.00 C ATOM 710 C THR A 41 10.216 -7.484 1.632 1.00 25.00 C ATOM 711 O THR A 41 10.819 -8.549 1.499 1.00 25.00 O ATOM 712 CB THR A 41 11.150 -6.164 3.525 1.00 25.00 C ATOM 713 OG1 THR A 41 11.339 -4.814 3.951 1.00 25.00 O ATOM 714 CG2 THR A 41 12.369 -6.962 3.915 1.00 25.00 C ATOM 0 H THR A 41 9.819 -4.435 2.322 1.00 25.00 H new ATOM 0 HA THR A 41 11.899 -6.183 1.483 1.00 25.00 H new ATOM 0 HB THR A 41 10.271 -6.600 3.999 1.00 25.00 H new ATOM 0 HG1 THR A 41 11.311 -4.773 4.930 1.00 25.00 H new ATOM 0 HG21 THR A 41 12.495 -6.928 4.997 1.00 25.00 H new ATOM 0 HG22 THR A 41 12.244 -7.997 3.596 1.00 25.00 H new ATOM 0 HG23 THR A 41 13.250 -6.538 3.434 1.00 25.00 H new ATOM 722 N CYS A 42 8.911 -7.388 1.456 1.00 25.00 N ATOM 723 CA CYS A 42 8.092 -8.517 1.022 1.00 25.00 C ATOM 724 C CYS A 42 7.287 -8.127 -0.219 1.00 25.00 C ATOM 725 O CYS A 42 6.075 -7.915 -0.137 1.00 25.00 O ATOM 726 CB CYS A 42 7.141 -8.942 2.141 1.00 25.00 C ATOM 727 SG CYS A 42 7.986 -9.579 3.593 1.00 25.00 S ATOM 0 H CYS A 42 8.384 -6.528 1.608 1.00 25.00 H new ATOM 0 HA CYS A 42 8.747 -9.353 0.779 1.00 25.00 H new ATOM 0 HB2 CYS A 42 6.529 -8.088 2.431 1.00 25.00 H new ATOM 0 HB3 CYS A 42 6.463 -9.706 1.761 1.00 25.00 H new ATOM 0 HG CYS A 42 9.136 -10.074 3.243 1.00 25.00 H new ATOM 733 N PRO A 43 7.931 -8.085 -1.399 1.00 25.00 N ATOM 734 CA PRO A 43 7.206 -7.668 -2.607 1.00 25.00 C ATOM 735 C PRO A 43 6.212 -8.723 -3.079 1.00 25.00 C ATOM 736 O PRO A 43 5.335 -8.463 -3.897 1.00 25.00 O ATOM 737 CB PRO A 43 8.332 -7.461 -3.621 1.00 25.00 C ATOM 738 CG PRO A 43 9.372 -8.441 -3.210 1.00 25.00 C ATOM 739 CD PRO A 43 9.338 -8.421 -1.702 1.00 25.00 C ATOM 0 HA PRO A 43 6.595 -6.779 -2.448 1.00 25.00 H new ATOM 0 HB2 PRO A 43 7.990 -7.645 -4.640 1.00 25.00 H new ATOM 0 HB3 PRO A 43 8.712 -6.440 -3.592 1.00 25.00 H new ATOM 0 HG2 PRO A 43 9.155 -9.436 -3.598 1.00 25.00 H new ATOM 0 HG3 PRO A 43 10.354 -8.159 -3.588 1.00 25.00 H new ATOM 0 HD2 PRO A 43 9.621 -9.385 -1.280 1.00 25.00 H new ATOM 0 HD3 PRO A 43 10.026 -7.680 -1.294 1.00 25.00 H new ATOM 747 N TRP A 44 6.335 -9.916 -2.520 1.00 25.00 N ATOM 748 CA TRP A 44 5.422 -11.009 -2.804 1.00 25.00 C ATOM 749 C TRP A 44 4.166 -10.938 -1.940 1.00 25.00 C ATOM 750 O TRP A 44 3.169 -11.559 -2.266 1.00 25.00 O ATOM 751 CB TRP A 44 6.137 -12.337 -2.554 1.00 25.00 C ATOM 752 CG TRP A 44 7.089 -12.280 -1.376 1.00 25.00 C ATOM 753 CD1 TRP A 44 6.787 -12.027 -0.077 1.00 25.00 C ATOM 754 CD2 TRP A 44 8.519 -12.468 -1.401 1.00 25.00 C ATOM 755 NE1 TRP A 44 7.897 -12.042 0.715 1.00 25.00 N ATOM 756 CE2 TRP A 44 8.988 -12.309 -0.062 1.00 25.00 C ATOM 757 CE3 TRP A 44 9.455 -12.746 -2.418 1.00 25.00 C ATOM 758 CZ2 TRP A 44 10.349 -12.420 0.279 1.00 25.00 C ATOM 759 CZ3 TRP A 44 10.829 -12.858 -2.077 1.00 25.00 C ATOM 760 CH2 TRP A 44 11.257 -12.692 -0.727 1.00 25.00 C ATOM 0 H TRP A 44 7.072 -10.153 -1.856 1.00 25.00 H new ATOM 0 HA TRP A 44 5.114 -10.931 -3.847 1.00 25.00 H new ATOM 0 HB2 TRP A 44 5.395 -13.116 -2.378 1.00 25.00 H new ATOM 0 HB3 TRP A 44 6.691 -12.620 -3.449 1.00 25.00 H new ATOM 0 HD1 TRP A 44 5.788 -11.837 0.286 1.00 25.00 H new ATOM 0 HE1 TRP A 44 7.910 -11.880 1.722 1.00 25.00 H new ATOM 0 HE3 TRP A 44 9.132 -12.872 -3.441 1.00 25.00 H new ATOM 0 HZ2 TRP A 44 10.676 -12.296 1.301 1.00 25.00 H new ATOM 0 HZ3 TRP A 44 11.556 -13.071 -2.847 1.00 25.00 H new ATOM 0 HH2 TRP A 44 12.306 -12.780 -0.487 1.00 25.00 H new ATOM 771 N PHE A 45 4.199 -10.185 -0.846 1.00 25.00 N ATOM 772 CA PHE A 45 3.043 -10.111 0.056 1.00 25.00 C ATOM 773 C PHE A 45 1.792 -9.535 -0.632 1.00 25.00 C ATOM 774 O PHE A 45 0.725 -10.152 -0.568 1.00 25.00 O ATOM 775 CB PHE A 45 3.389 -9.307 1.320 1.00 25.00 C ATOM 776 CG PHE A 45 2.318 -9.350 2.378 1.00 25.00 C ATOM 777 CD1 PHE A 45 1.226 -8.464 2.328 1.00 25.00 C ATOM 778 CD2 PHE A 45 2.400 -10.272 3.443 1.00 25.00 C ATOM 779 CE1 PHE A 45 0.216 -8.500 3.318 1.00 25.00 C ATOM 780 CE2 PHE A 45 1.395 -10.313 4.446 1.00 25.00 C ATOM 781 CZ PHE A 45 0.302 -9.423 4.379 1.00 25.00 C ATOM 0 H PHE A 45 5.000 -9.622 -0.560 1.00 25.00 H new ATOM 0 HA PHE A 45 2.802 -11.134 0.345 1.00 25.00 H new ATOM 0 HB2 PHE A 45 4.318 -9.691 1.741 1.00 25.00 H new ATOM 0 HB3 PHE A 45 3.570 -8.269 1.041 1.00 25.00 H new ATOM 0 HD1 PHE A 45 1.158 -7.747 1.523 1.00 25.00 H new ATOM 0 HD2 PHE A 45 3.236 -10.954 3.496 1.00 25.00 H new ATOM 0 HE1 PHE A 45 -0.621 -7.820 3.260 1.00 25.00 H new ATOM 0 HE2 PHE A 45 1.467 -11.023 5.257 1.00 25.00 H new ATOM 0 HZ PHE A 45 -0.466 -9.449 5.138 1.00 25.00 H new ATOM 791 N PRO A 46 1.901 -8.383 -1.339 1.00 25.00 N ATOM 792 CA PRO A 46 0.643 -7.979 -1.977 1.00 25.00 C ATOM 793 C PRO A 46 0.205 -8.895 -3.123 1.00 25.00 C ATOM 794 O PRO A 46 -0.969 -8.945 -3.460 1.00 25.00 O ATOM 795 CB PRO A 46 0.952 -6.566 -2.481 1.00 25.00 C ATOM 796 CG PRO A 46 2.404 -6.587 -2.750 1.00 25.00 C ATOM 797 CD PRO A 46 2.972 -7.399 -1.618 1.00 25.00 C ATOM 0 HA PRO A 46 -0.194 -8.032 -1.281 1.00 25.00 H new ATOM 0 HB2 PRO A 46 0.384 -6.331 -3.381 1.00 25.00 H new ATOM 0 HB3 PRO A 46 0.696 -5.813 -1.736 1.00 25.00 H new ATOM 0 HG2 PRO A 46 2.624 -7.040 -3.716 1.00 25.00 H new ATOM 0 HG3 PRO A 46 2.821 -5.580 -2.768 1.00 25.00 H new ATOM 0 HD2 PRO A 46 3.904 -7.888 -1.901 1.00 25.00 H new ATOM 0 HD3 PRO A 46 3.188 -6.780 -0.747 1.00 25.00 H new ATOM 805 N GLN A 47 1.140 -9.653 -3.687 1.00 25.00 N ATOM 806 CA GLN A 47 0.819 -10.582 -4.771 1.00 25.00 C ATOM 807 C GLN A 47 0.090 -11.826 -4.259 1.00 25.00 C ATOM 808 O GLN A 47 -0.485 -12.572 -5.043 1.00 25.00 O ATOM 809 CB GLN A 47 2.087 -11.006 -5.521 1.00 25.00 C ATOM 810 CG GLN A 47 2.833 -9.844 -6.163 1.00 25.00 C ATOM 811 CD GLN A 47 3.904 -10.303 -7.136 1.00 25.00 C ATOM 812 OE1 GLN A 47 4.528 -11.345 -6.962 1.00 25.00 O ATOM 813 NE2 GLN A 47 4.102 -9.540 -8.180 1.00 25.00 N ATOM 0 H GLN A 47 2.123 -9.644 -3.415 1.00 25.00 H new ATOM 0 HA GLN A 47 0.155 -10.052 -5.454 1.00 25.00 H new ATOM 0 HB2 GLN A 47 2.755 -11.517 -4.828 1.00 25.00 H new ATOM 0 HB3 GLN A 47 1.818 -11.726 -6.294 1.00 25.00 H new ATOM 0 HG2 GLN A 47 2.122 -9.205 -6.687 1.00 25.00 H new ATOM 0 HG3 GLN A 47 3.292 -9.237 -5.383 1.00 25.00 H new ATOM 0 HE21 GLN A 47 3.565 -8.680 -8.293 1.00 25.00 H new ATOM 0 HE22 GLN A 47 4.793 -9.805 -8.882 1.00 25.00 H new ATOM 822 N GLU A 48 0.126 -12.068 -2.952 1.00 25.00 N ATOM 823 CA GLU A 48 -0.592 -13.209 -2.386 1.00 25.00 C ATOM 824 C GLU A 48 -2.079 -12.896 -2.273 1.00 25.00 C ATOM 825 O GLU A 48 -2.912 -13.800 -2.308 1.00 25.00 O ATOM 826 CB GLU A 48 -0.074 -13.569 -0.985 1.00 25.00 C ATOM 827 CG GLU A 48 1.346 -14.118 -0.956 1.00 25.00 C ATOM 828 CD GLU A 48 1.571 -15.059 0.219 1.00 25.00 C ATOM 829 OE1 GLU A 48 0.926 -16.132 0.246 1.00 25.00 O ATOM 830 OE2 GLU A 48 2.402 -14.758 1.106 1.00 25.00 O ATOM 0 H GLU A 48 0.635 -11.501 -2.274 1.00 25.00 H new ATOM 0 HA GLU A 48 -0.426 -14.052 -3.057 1.00 25.00 H new ATOM 0 HB2 GLU A 48 -0.119 -12.680 -0.356 1.00 25.00 H new ATOM 0 HB3 GLU A 48 -0.744 -14.306 -0.543 1.00 25.00 H new ATOM 0 HG2 GLU A 48 1.549 -14.646 -1.887 1.00 25.00 H new ATOM 0 HG3 GLU A 48 2.053 -13.291 -0.898 1.00 25.00 H new ATOM 837 N GLY A 49 -2.405 -11.622 -2.066 1.00 25.00 N ATOM 838 CA GLY A 49 -3.792 -11.223 -1.850 1.00 25.00 C ATOM 839 C GLY A 49 -4.380 -11.878 -0.611 1.00 25.00 C ATOM 840 O GLY A 49 -5.594 -12.022 -0.498 1.00 25.00 O ATOM 0 H GLY A 49 -1.733 -10.855 -2.043 1.00 25.00 H new ATOM 0 HA2 GLY A 49 -3.847 -10.139 -1.749 1.00 25.00 H new ATOM 0 HA3 GLY A 49 -4.388 -11.493 -2.722 1.00 25.00 H new ATOM 844 N THR A 50 -3.513 -12.329 0.285 1.00 25.00 N ATOM 845 CA THR A 50 -3.914 -13.109 1.454 1.00 25.00 C ATOM 846 C THR A 50 -3.264 -12.527 2.699 1.00 25.00 C ATOM 847 O THR A 50 -2.048 -12.335 2.737 1.00 25.00 O ATOM 848 CB THR A 50 -3.453 -14.580 1.296 1.00 25.00 C ATOM 849 OG1 THR A 50 -3.955 -15.113 0.067 1.00 25.00 O ATOM 850 CG2 THR A 50 -3.964 -15.456 2.429 1.00 25.00 C ATOM 0 H THR A 50 -2.508 -12.165 0.224 1.00 25.00 H new ATOM 0 HA THR A 50 -5.000 -13.073 1.544 1.00 25.00 H new ATOM 0 HB THR A 50 -2.363 -14.581 1.309 1.00 25.00 H new ATOM 0 HG1 THR A 50 -3.527 -14.655 -0.687 1.00 25.00 H new ATOM 0 HG21 THR A 50 -3.619 -16.479 2.281 1.00 25.00 H new ATOM 0 HG22 THR A 50 -3.586 -15.079 3.379 1.00 25.00 H new ATOM 0 HG23 THR A 50 -5.054 -15.438 2.440 1.00 25.00 H new ATOM 858 N ILE A 51 -4.069 -12.237 3.710 1.00 25.00 N ATOM 859 CA ILE A 51 -3.589 -11.628 4.945 1.00 25.00 C ATOM 860 C ILE A 51 -4.078 -12.432 6.138 1.00 25.00 C ATOM 861 O ILE A 51 -5.228 -12.370 6.553 1.00 25.00 O ATOM 862 CB ILE A 51 -4.053 -10.155 5.064 1.00 25.00 C ATOM 863 CG1 ILE A 51 -3.497 -9.354 3.872 1.00 25.00 C ATOM 864 CG2 ILE A 51 -3.571 -9.523 6.411 1.00 25.00 C ATOM 865 CD1 ILE A 51 -4.023 -7.980 3.763 1.00 25.00 C ATOM 0 H ILE A 51 -5.073 -12.416 3.699 1.00 25.00 H new ATOM 0 HA ILE A 51 -2.499 -11.633 4.928 1.00 25.00 H new ATOM 0 HB ILE A 51 -5.143 -10.125 5.052 1.00 25.00 H new ATOM 0 HG12 ILE A 51 -2.411 -9.309 3.955 1.00 25.00 H new ATOM 0 HG13 ILE A 51 -3.724 -9.891 2.951 1.00 25.00 H new ATOM 0 HG21 ILE A 51 -3.910 -8.489 6.469 1.00 25.00 H new ATOM 0 HG22 ILE A 51 -3.984 -10.088 7.246 1.00 25.00 H new ATOM 0 HG23 ILE A 51 -2.482 -9.551 6.457 1.00 25.00 H new ATOM 0 HD11 ILE A 51 -3.579 -7.488 2.897 1.00 25.00 H new ATOM 0 HD12 ILE A 51 -5.106 -8.013 3.646 1.00 25.00 H new ATOM 0 HD13 ILE A 51 -3.773 -7.422 4.665 1.00 25.00 H new ATOM 877 N ASP A 52 -3.154 -13.172 6.715 1.00 25.00 N ATOM 878 CA ASP A 52 -3.413 -13.934 7.920 1.00 25.00 C ATOM 879 C ASP A 52 -2.108 -13.914 8.671 1.00 25.00 C ATOM 880 O ASP A 52 -1.075 -13.581 8.093 1.00 25.00 O ATOM 881 CB ASP A 52 -3.802 -15.372 7.601 1.00 25.00 C ATOM 882 CG ASP A 52 -4.166 -16.155 8.840 1.00 25.00 C ATOM 883 OD1 ASP A 52 -4.699 -15.558 9.802 1.00 25.00 O ATOM 884 OD2 ASP A 52 -3.755 -17.327 8.927 1.00 25.00 O ATOM 0 H ASP A 52 -2.201 -13.262 6.362 1.00 25.00 H new ATOM 0 HA ASP A 52 -4.241 -13.510 8.488 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -4.646 -15.373 6.912 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -2.974 -15.866 7.092 1.00 25.00 H new ATOM 889 N ILE A 53 -2.126 -14.308 9.930 1.00 25.00 N ATOM 890 CA ILE A 53 -0.921 -14.326 10.737 1.00 25.00 C ATOM 891 C ILE A 53 0.092 -15.275 10.129 1.00 25.00 C ATOM 892 O ILE A 53 1.285 -15.041 10.196 1.00 25.00 O ATOM 893 CB ILE A 53 -1.253 -14.711 12.202 1.00 25.00 C ATOM 894 CG1 ILE A 53 -0.029 -14.540 13.115 1.00 25.00 C ATOM 895 CG2 ILE A 53 -1.827 -16.136 12.314 1.00 25.00 C ATOM 896 CD1 ILE A 53 0.466 -13.109 13.215 1.00 25.00 C ATOM 0 H ILE A 53 -2.965 -14.621 10.418 1.00 25.00 H new ATOM 0 HA ILE A 53 -0.485 -13.327 10.752 1.00 25.00 H new ATOM 0 HB ILE A 53 -2.029 -14.024 12.540 1.00 25.00 H new ATOM 0 HG12 ILE A 53 -0.279 -14.898 14.113 1.00 25.00 H new ATOM 0 HG13 ILE A 53 0.780 -15.169 12.744 1.00 25.00 H new ATOM 0 HG21 ILE A 53 -2.044 -16.360 13.359 1.00 25.00 H new ATOM 0 HG22 ILE A 53 -2.745 -16.206 11.730 1.00 25.00 H new ATOM 0 HG23 ILE A 53 -1.099 -16.852 11.933 1.00 25.00 H new ATOM 0 HD11 ILE A 53 1.331 -13.069 13.876 1.00 25.00 H new ATOM 0 HD12 ILE A 53 0.749 -12.752 12.225 1.00 25.00 H new ATOM 0 HD13 ILE A 53 -0.327 -12.477 13.616 1.00 25.00 H new ATOM 908 N LYS A 54 -0.388 -16.312 9.461 1.00 25.00 N ATOM 909 CA LYS A 54 0.496 -17.281 8.829 1.00 25.00 C ATOM 910 C LYS A 54 1.296 -16.653 7.687 1.00 25.00 C ATOM 911 O LYS A 54 2.402 -17.095 7.399 1.00 25.00 O ATOM 912 CB LYS A 54 -0.326 -18.472 8.313 1.00 25.00 C ATOM 913 CG LYS A 54 -1.137 -19.190 9.408 1.00 25.00 C ATOM 914 CD LYS A 54 -2.020 -20.299 8.815 1.00 25.00 C ATOM 915 CE LYS A 54 -3.082 -20.784 9.819 1.00 25.00 C ATOM 916 NZ LYS A 54 -4.323 -19.915 9.801 1.00 25.00 N ATOM 0 H LYS A 54 -1.382 -16.505 9.342 1.00 25.00 H new ATOM 0 HA LYS A 54 1.209 -17.628 9.576 1.00 25.00 H new ATOM 0 HB2 LYS A 54 -1.009 -18.122 7.539 1.00 25.00 H new ATOM 0 HB3 LYS A 54 0.347 -19.189 7.843 1.00 25.00 H new ATOM 0 HG2 LYS A 54 -0.457 -19.619 10.144 1.00 25.00 H new ATOM 0 HG3 LYS A 54 -1.761 -18.467 9.933 1.00 25.00 H new ATOM 0 HD2 LYS A 54 -2.512 -19.929 7.916 1.00 25.00 H new ATOM 0 HD3 LYS A 54 -1.395 -21.139 8.514 1.00 25.00 H new ATOM 0 HE2 LYS A 54 -3.357 -21.813 9.586 1.00 25.00 H new ATOM 0 HE3 LYS A 54 -2.657 -20.787 10.823 1.00 25.00 H new ATOM 0 HZ1 LYS A 54 -4.674 -19.791 10.772 1.00 25.00 H new ATOM 0 HZ2 LYS A 54 -4.090 -18.986 9.396 1.00 25.00 H new ATOM 0 HZ3 LYS A 54 -5.057 -20.371 9.223 1.00 25.00 H new ATOM 930 N ARG A 55 0.747 -15.614 7.066 1.00 25.00 N ATOM 931 CA ARG A 55 1.459 -14.857 6.025 1.00 25.00 C ATOM 932 C ARG A 55 2.323 -13.782 6.689 1.00 25.00 C ATOM 933 O ARG A 55 3.502 -13.640 6.402 1.00 25.00 O ATOM 934 CB ARG A 55 0.461 -14.157 5.075 1.00 25.00 C ATOM 935 CG ARG A 55 -0.617 -15.055 4.444 1.00 25.00 C ATOM 936 CD ARG A 55 -0.069 -16.001 3.386 1.00 25.00 C ATOM 937 NE ARG A 55 0.245 -17.328 3.942 1.00 25.00 N ATOM 938 CZ ARG A 55 0.728 -18.353 3.250 1.00 25.00 C ATOM 939 NH1 ARG A 55 1.000 -18.282 1.977 1.00 25.00 N ATOM 940 NH2 ARG A 55 0.940 -19.484 3.862 1.00 25.00 N ATOM 0 H ARG A 55 -0.193 -15.270 7.262 1.00 25.00 H new ATOM 0 HA ARG A 55 2.073 -15.553 5.453 1.00 25.00 H new ATOM 0 HB2 ARG A 55 -0.037 -13.360 5.627 1.00 25.00 H new ATOM 0 HB3 ARG A 55 1.026 -13.684 4.272 1.00 25.00 H new ATOM 0 HG2 ARG A 55 -1.099 -15.638 5.229 1.00 25.00 H new ATOM 0 HG3 ARG A 55 -1.387 -14.427 3.996 1.00 25.00 H new ATOM 0 HD2 ARG A 55 -0.798 -16.108 2.583 1.00 25.00 H new ATOM 0 HD3 ARG A 55 0.830 -15.570 2.945 1.00 25.00 H new ATOM 0 HE ARG A 55 0.078 -17.471 4.938 1.00 25.00 H new ATOM 0 HH11 ARG A 55 0.843 -17.411 1.470 1.00 25.00 H new ATOM 0 HH12 ARG A 55 1.370 -19.097 1.488 1.00 25.00 H new ATOM 0 HH21 ARG A 55 0.735 -19.571 4.857 1.00 25.00 H new ATOM 0 HH22 ARG A 55 1.311 -20.282 3.346 1.00 25.00 H new ATOM 954 N TRP A 56 1.702 -13.039 7.594 1.00 25.00 N ATOM 955 CA TRP A 56 2.320 -11.896 8.272 1.00 25.00 C ATOM 956 C TRP A 56 3.570 -12.223 9.058 1.00 25.00 C ATOM 957 O TRP A 56 4.490 -11.423 9.154 1.00 25.00 O ATOM 958 CB TRP A 56 1.321 -11.327 9.265 1.00 25.00 C ATOM 959 CG TRP A 56 1.803 -10.054 9.918 1.00 25.00 C ATOM 960 CD1 TRP A 56 2.071 -9.852 11.234 1.00 25.00 C ATOM 961 CD2 TRP A 56 2.105 -8.798 9.272 1.00 25.00 C ATOM 962 NE1 TRP A 56 2.504 -8.578 11.472 1.00 25.00 N ATOM 963 CE2 TRP A 56 2.545 -7.897 10.289 1.00 25.00 C ATOM 964 CE3 TRP A 56 2.060 -8.343 7.940 1.00 25.00 C ATOM 965 CZ2 TRP A 56 2.938 -6.574 10.008 1.00 25.00 C ATOM 966 CZ3 TRP A 56 2.464 -7.014 7.651 1.00 25.00 C ATOM 967 CH2 TRP A 56 2.895 -6.143 8.694 1.00 25.00 C ATOM 0 H TRP A 56 0.740 -13.212 7.886 1.00 25.00 H new ATOM 0 HA TRP A 56 2.602 -11.203 7.479 1.00 25.00 H new ATOM 0 HB2 TRP A 56 0.378 -11.133 8.754 1.00 25.00 H new ATOM 0 HB3 TRP A 56 1.118 -12.071 10.036 1.00 25.00 H new ATOM 0 HD1 TRP A 56 1.956 -10.606 11.999 1.00 25.00 H new ATOM 0 HE1 TRP A 56 2.756 -8.198 12.384 1.00 25.00 H new ATOM 0 HE3 TRP A 56 1.723 -8.997 7.149 1.00 25.00 H new ATOM 0 HZ2 TRP A 56 3.264 -5.913 10.798 1.00 25.00 H new ATOM 0 HZ3 TRP A 56 2.445 -6.659 6.631 1.00 25.00 H new ATOM 0 HH2 TRP A 56 3.192 -5.133 8.455 1.00 25.00 H new ATOM 978 N ARG A 57 3.593 -13.392 9.666 1.00 25.00 N ATOM 979 CA ARG A 57 4.717 -13.774 10.508 1.00 25.00 C ATOM 980 C ARG A 57 6.037 -13.760 9.739 1.00 25.00 C ATOM 981 O ARG A 57 7.051 -13.303 10.241 1.00 25.00 O ATOM 982 CB ARG A 57 4.442 -15.124 11.147 1.00 25.00 C ATOM 983 CG ARG A 57 4.190 -16.251 10.216 1.00 25.00 C ATOM 984 CD ARG A 57 3.552 -17.358 11.027 1.00 25.00 C ATOM 985 NE ARG A 57 3.511 -18.628 10.286 1.00 25.00 N ATOM 986 CZ ARG A 57 3.124 -19.794 10.792 1.00 25.00 C ATOM 987 NH1 ARG A 57 2.713 -19.918 12.031 1.00 25.00 N ATOM 988 NH2 ARG A 57 3.157 -20.857 10.037 1.00 25.00 N ATOM 0 H ARG A 57 2.854 -14.092 9.596 1.00 25.00 H new ATOM 0 HA ARG A 57 4.824 -13.034 11.301 1.00 25.00 H new ATOM 0 HB2 ARG A 57 5.292 -15.384 11.777 1.00 25.00 H new ATOM 0 HB3 ARG A 57 3.578 -15.022 11.804 1.00 25.00 H new ATOM 0 HG2 ARG A 57 3.534 -15.941 9.403 1.00 25.00 H new ATOM 0 HG3 ARG A 57 5.120 -16.592 9.762 1.00 25.00 H new ATOM 0 HD2 ARG A 57 4.109 -17.496 11.954 1.00 25.00 H new ATOM 0 HD3 ARG A 57 2.539 -17.067 11.305 1.00 25.00 H new ATOM 0 HE ARG A 57 3.802 -18.612 9.309 1.00 25.00 H new ATOM 0 HH11 ARG A 57 2.683 -19.102 12.642 1.00 25.00 H new ATOM 0 HH12 ARG A 57 2.424 -20.830 12.383 1.00 25.00 H new ATOM 0 HH21 ARG A 57 3.477 -20.787 9.071 1.00 25.00 H new ATOM 0 HH22 ARG A 57 2.863 -21.759 10.413 1.00 25.00 H new ATOM 1002 N ARG A 58 5.970 -14.164 8.480 1.00 25.00 N ATOM 1003 CA ARG A 58 7.138 -14.150 7.585 1.00 25.00 C ATOM 1004 C ARG A 58 7.694 -12.765 7.298 1.00 25.00 C ATOM 1005 O ARG A 58 8.840 -12.635 6.906 1.00 25.00 O ATOM 1006 CB ARG A 58 6.810 -14.803 6.247 1.00 25.00 C ATOM 1007 CG ARG A 58 6.626 -16.309 6.327 1.00 25.00 C ATOM 1008 CD ARG A 58 6.925 -16.961 4.976 1.00 25.00 C ATOM 1009 NE ARG A 58 8.363 -16.859 4.649 1.00 25.00 N ATOM 1010 CZ ARG A 58 8.890 -16.137 3.659 1.00 25.00 C ATOM 1011 NH1 ARG A 58 8.157 -15.445 2.818 1.00 25.00 N ATOM 1012 NH2 ARG A 58 10.185 -16.107 3.519 1.00 25.00 N ATOM 0 H ARG A 58 5.116 -14.510 8.043 1.00 25.00 H new ATOM 0 HA ARG A 58 7.899 -14.711 8.128 1.00 25.00 H new ATOM 0 HB2 ARG A 58 5.899 -14.356 5.849 1.00 25.00 H new ATOM 0 HB3 ARG A 58 7.609 -14.581 5.540 1.00 25.00 H new ATOM 0 HG2 ARG A 58 7.286 -16.721 7.090 1.00 25.00 H new ATOM 0 HG3 ARG A 58 5.605 -16.540 6.630 1.00 25.00 H new ATOM 0 HD2 ARG A 58 6.626 -18.009 4.999 1.00 25.00 H new ATOM 0 HD3 ARG A 58 6.335 -16.479 4.196 1.00 25.00 H new ATOM 0 HE ARG A 58 9.010 -17.388 5.233 1.00 25.00 H new ATOM 0 HH11 ARG A 58 7.141 -15.445 2.907 1.00 25.00 H new ATOM 0 HH12 ARG A 58 8.604 -14.907 2.075 1.00 25.00 H new ATOM 0 HH21 ARG A 58 10.780 -16.631 4.161 1.00 25.00 H new ATOM 0 HH22 ARG A 58 10.604 -15.560 2.767 1.00 25.00 H new ATOM 1026 N VAL A 59 6.894 -11.732 7.486 1.00 25.00 N ATOM 1027 CA VAL A 59 7.356 -10.366 7.252 1.00 25.00 C ATOM 1028 C VAL A 59 8.421 -10.026 8.275 1.00 25.00 C ATOM 1029 O VAL A 59 9.418 -9.383 7.970 1.00 25.00 O ATOM 1030 CB VAL A 59 6.189 -9.364 7.379 1.00 25.00 C ATOM 1031 CG1 VAL A 59 6.664 -7.945 7.181 1.00 25.00 C ATOM 1032 CG2 VAL A 59 5.108 -9.712 6.368 1.00 25.00 C ATOM 0 H VAL A 59 5.926 -11.806 7.798 1.00 25.00 H new ATOM 0 HA VAL A 59 7.762 -10.298 6.243 1.00 25.00 H new ATOM 0 HB VAL A 59 5.777 -9.435 8.385 1.00 25.00 H new ATOM 0 HG11 VAL A 59 5.820 -7.262 7.276 1.00 25.00 H new ATOM 0 HG12 VAL A 59 7.413 -7.703 7.935 1.00 25.00 H new ATOM 0 HG13 VAL A 59 7.103 -7.843 6.188 1.00 25.00 H new ATOM 0 HG21 VAL A 59 4.284 -9.004 6.458 1.00 25.00 H new ATOM 0 HG22 VAL A 59 5.522 -9.661 5.361 1.00 25.00 H new ATOM 0 HG23 VAL A 59 4.742 -10.721 6.559 1.00 25.00 H new ATOM 1042 N GLY A 60 8.223 -10.504 9.490 1.00 25.00 N ATOM 1043 CA GLY A 60 9.181 -10.252 10.541 1.00 25.00 C ATOM 1044 C GLY A 60 10.455 -11.032 10.307 1.00 25.00 C ATOM 1045 O GLY A 60 11.545 -10.530 10.561 1.00 25.00 O ATOM 0 H GLY A 60 7.416 -11.062 9.768 1.00 25.00 H new ATOM 0 HA2 GLY A 60 9.405 -9.186 10.586 1.00 25.00 H new ATOM 0 HA3 GLY A 60 8.752 -10.529 11.504 1.00 25.00 H new ATOM 1049 N ASP A 61 10.320 -12.234 9.759 1.00 25.00 N ATOM 1050 CA ASP A 61 11.484 -13.058 9.412 1.00 25.00 C ATOM 1051 C ASP A 61 12.299 -12.301 8.358 1.00 25.00 C ATOM 1052 O ASP A 61 13.521 -12.237 8.414 1.00 25.00 O ATOM 1053 CB ASP A 61 11.057 -14.419 8.823 1.00 25.00 C ATOM 1054 CG ASP A 61 10.173 -15.236 9.766 1.00 25.00 C ATOM 1055 OD1 ASP A 61 10.220 -15.036 10.995 1.00 25.00 O ATOM 1056 OD2 ASP A 61 9.393 -16.075 9.246 1.00 25.00 O ATOM 0 H ASP A 61 9.420 -12.664 9.544 1.00 25.00 H new ATOM 0 HA ASP A 61 12.066 -13.246 10.314 1.00 25.00 H new ATOM 0 HB2 ASP A 61 10.521 -14.251 7.889 1.00 25.00 H new ATOM 0 HB3 ASP A 61 11.948 -14.997 8.580 1.00 25.00 H new ATOM 1061 N CYS A 62 11.588 -11.697 7.413 1.00 25.00 N ATOM 1062 CA CYS A 62 12.199 -10.915 6.341 1.00 25.00 C ATOM 1063 C CYS A 62 12.938 -9.691 6.877 1.00 25.00 C ATOM 1064 O CYS A 62 14.047 -9.386 6.443 1.00 25.00 O ATOM 1065 CB CYS A 62 11.113 -10.445 5.374 1.00 25.00 C ATOM 1066 SG CYS A 62 11.284 -11.115 3.705 1.00 25.00 S ATOM 0 H CYS A 62 10.570 -11.735 7.367 1.00 25.00 H new ATOM 0 HA CYS A 62 12.920 -11.557 5.835 1.00 25.00 H new ATOM 0 HB2 CYS A 62 10.138 -10.728 5.771 1.00 25.00 H new ATOM 0 HB3 CYS A 62 11.132 -9.356 5.322 1.00 25.00 H new ATOM 0 HG CYS A 62 11.111 -10.164 2.836 1.00 25.00 H new ATOM 1072 N PHE A 63 12.329 -8.986 7.822 1.00 25.00 N ATOM 1073 CA PHE A 63 12.971 -7.808 8.399 1.00 25.00 C ATOM 1074 C PHE A 63 14.231 -8.230 9.122 1.00 25.00 C ATOM 1075 O PHE A 63 15.220 -7.520 9.090 1.00 25.00 O ATOM 1076 CB PHE A 63 12.077 -7.100 9.420 1.00 25.00 C ATOM 1077 CG PHE A 63 10.829 -6.449 8.844 1.00 25.00 C ATOM 1078 CD1 PHE A 63 10.693 -6.169 7.463 1.00 25.00 C ATOM 1079 CD2 PHE A 63 9.784 -6.076 9.713 1.00 25.00 C ATOM 1080 CE1 PHE A 63 9.530 -5.532 6.964 1.00 25.00 C ATOM 1081 CE2 PHE A 63 8.622 -5.428 9.221 1.00 25.00 C ATOM 1082 CZ PHE A 63 8.499 -5.154 7.844 1.00 25.00 C ATOM 0 H PHE A 63 11.407 -9.203 8.201 1.00 25.00 H new ATOM 0 HA PHE A 63 13.180 -7.124 7.576 1.00 25.00 H new ATOM 0 HB2 PHE A 63 11.774 -7.823 10.177 1.00 25.00 H new ATOM 0 HB3 PHE A 63 12.666 -6.335 9.927 1.00 25.00 H new ATOM 0 HD1 PHE A 63 11.485 -6.444 6.782 1.00 25.00 H new ATOM 0 HD2 PHE A 63 9.869 -6.287 10.769 1.00 25.00 H new ATOM 0 HE1 PHE A 63 9.435 -5.336 5.906 1.00 25.00 H new ATOM 0 HE2 PHE A 63 7.832 -5.145 9.901 1.00 25.00 H new ATOM 0 HZ PHE A 63 7.618 -4.656 7.466 1.00 25.00 H new ATOM 1092 N GLN A 64 14.190 -9.374 9.792 1.00 25.00 N ATOM 1093 CA GLN A 64 15.338 -9.837 10.560 1.00 25.00 C ATOM 1094 C GLN A 64 16.482 -10.211 9.638 1.00 25.00 C ATOM 1095 O GLN A 64 17.627 -9.921 9.930 1.00 25.00 O ATOM 1096 CB GLN A 64 14.963 -11.039 11.425 1.00 25.00 C ATOM 1097 CG GLN A 64 16.060 -11.442 12.414 1.00 25.00 C ATOM 1098 CD GLN A 64 16.404 -10.326 13.383 1.00 25.00 C ATOM 1099 OE1 GLN A 64 15.558 -9.861 14.132 1.00 25.00 O ATOM 1100 NE2 GLN A 64 17.635 -9.887 13.365 1.00 25.00 N ATOM 0 H GLN A 64 13.381 -9.994 9.820 1.00 25.00 H new ATOM 0 HA GLN A 64 15.656 -9.021 11.209 1.00 25.00 H new ATOM 0 HB2 GLN A 64 14.052 -10.809 11.978 1.00 25.00 H new ATOM 0 HB3 GLN A 64 14.738 -11.887 10.778 1.00 25.00 H new ATOM 0 HG2 GLN A 64 15.736 -12.319 12.974 1.00 25.00 H new ATOM 0 HG3 GLN A 64 16.955 -11.729 11.862 1.00 25.00 H new ATOM 0 HE21 GLN A 64 18.314 -10.300 12.726 1.00 25.00 H new ATOM 0 HE22 GLN A 64 17.916 -9.132 13.990 1.00 25.00 H new ATOM 1109 N ASP A 65 16.173 -10.838 8.518 1.00 25.00 N ATOM 1110 CA ASP A 65 17.206 -11.237 7.567 1.00 25.00 C ATOM 1111 C ASP A 65 17.912 -10.006 7.013 1.00 25.00 C ATOM 1112 O ASP A 65 19.135 -9.931 6.970 1.00 25.00 O ATOM 1113 CB ASP A 65 16.574 -12.027 6.427 1.00 25.00 C ATOM 1114 CG ASP A 65 17.593 -12.828 5.639 1.00 25.00 C ATOM 1115 OD1 ASP A 65 18.551 -13.344 6.254 1.00 25.00 O ATOM 1116 OD2 ASP A 65 17.403 -12.992 4.415 1.00 25.00 O ATOM 0 H ASP A 65 15.222 -11.083 8.241 1.00 25.00 H new ATOM 0 HA ASP A 65 17.938 -11.862 8.078 1.00 25.00 H new ATOM 0 HB2 ASP A 65 15.820 -12.702 6.832 1.00 25.00 H new ATOM 0 HB3 ASP A 65 16.059 -11.340 5.755 1.00 25.00 H new ATOM 1121 N TYR A 66 17.125 -9.006 6.649 1.00 25.00 N ATOM 1122 CA TYR A 66 17.676 -7.758 6.127 1.00 25.00 C ATOM 1123 C TYR A 66 18.446 -7.015 7.226 1.00 25.00 C ATOM 1124 O TYR A 66 19.492 -6.403 6.974 1.00 25.00 O ATOM 1125 CB TYR A 66 16.537 -6.894 5.571 1.00 25.00 C ATOM 1126 CG TYR A 66 16.966 -5.707 4.709 1.00 25.00 C ATOM 1127 CD1 TYR A 66 18.235 -5.661 4.073 1.00 25.00 C ATOM 1128 CD2 TYR A 66 16.083 -4.626 4.505 1.00 25.00 C ATOM 1129 CE1 TYR A 66 18.599 -4.555 3.257 1.00 25.00 C ATOM 1130 CE2 TYR A 66 16.449 -3.522 3.690 1.00 25.00 C ATOM 1131 CZ TYR A 66 17.702 -3.501 3.075 1.00 25.00 C ATOM 1132 OH TYR A 66 18.055 -2.433 2.287 1.00 25.00 O ATOM 0 H TYR A 66 16.107 -9.030 6.704 1.00 25.00 H new ATOM 0 HA TYR A 66 18.376 -7.977 5.321 1.00 25.00 H new ATOM 0 HB2 TYR A 66 15.879 -7.530 4.979 1.00 25.00 H new ATOM 0 HB3 TYR A 66 15.949 -6.518 6.408 1.00 25.00 H new ATOM 0 HD1 TYR A 66 18.931 -6.475 4.211 1.00 25.00 H new ATOM 0 HD2 TYR A 66 15.112 -4.638 4.977 1.00 25.00 H new ATOM 0 HE1 TYR A 66 19.567 -4.530 2.779 1.00 25.00 H new ATOM 0 HE2 TYR A 66 15.761 -2.702 3.547 1.00 25.00 H new ATOM 0 HH TYR A 66 17.319 -1.787 2.263 1.00 25.00 H new ATOM 1142 N PHE A 67 17.956 -7.113 8.456 1.00 25.00 N ATOM 1143 CA PHE A 67 18.629 -6.510 9.610 1.00 25.00 C ATOM 1144 C PHE A 67 19.978 -7.185 9.861 1.00 25.00 C ATOM 1145 O PHE A 67 20.939 -6.525 10.223 1.00 25.00 O ATOM 1146 CB PHE A 67 17.739 -6.643 10.854 1.00 25.00 C ATOM 1147 CG PHE A 67 18.299 -5.989 12.092 1.00 25.00 C ATOM 1148 CD1 PHE A 67 19.266 -6.646 12.880 1.00 25.00 C ATOM 1149 CD2 PHE A 67 17.836 -4.725 12.499 1.00 25.00 C ATOM 1150 CE1 PHE A 67 19.776 -6.040 14.056 1.00 25.00 C ATOM 1151 CE2 PHE A 67 18.327 -4.118 13.676 1.00 25.00 C ATOM 1152 CZ PHE A 67 19.303 -4.774 14.453 1.00 25.00 C ATOM 0 H PHE A 67 17.092 -7.605 8.685 1.00 25.00 H new ATOM 0 HA PHE A 67 18.805 -5.455 9.400 1.00 25.00 H new ATOM 0 HB2 PHE A 67 16.764 -6.207 10.637 1.00 25.00 H new ATOM 0 HB3 PHE A 67 17.577 -7.701 11.058 1.00 25.00 H new ATOM 0 HD1 PHE A 67 19.622 -7.622 12.585 1.00 25.00 H new ATOM 0 HD2 PHE A 67 17.095 -4.212 11.904 1.00 25.00 H new ATOM 0 HE1 PHE A 67 20.525 -6.548 14.646 1.00 25.00 H new ATOM 0 HE2 PHE A 67 17.955 -3.151 13.981 1.00 25.00 H new ATOM 0 HZ PHE A 67 19.686 -4.308 15.349 1.00 25.00 H new ATOM 1162 N ASN A 68 20.061 -8.492 9.665 1.00 25.00 N ATOM 1163 CA ASN A 68 21.299 -9.227 9.942 1.00 25.00 C ATOM 1164 C ASN A 68 22.450 -8.743 9.064 1.00 25.00 C ATOM 1165 O ASN A 68 23.603 -8.757 9.480 1.00 25.00 O ATOM 1166 CB ASN A 68 21.108 -10.731 9.697 1.00 25.00 C ATOM 1167 CG ASN A 68 20.158 -11.373 10.675 1.00 25.00 C ATOM 1168 OD1 ASN A 68 20.007 -10.936 11.812 1.00 25.00 O ATOM 1169 ND2 ASN A 68 19.523 -12.432 10.248 1.00 25.00 N ATOM 0 H ASN A 68 19.294 -9.068 9.318 1.00 25.00 H new ATOM 0 HA ASN A 68 21.542 -9.045 10.989 1.00 25.00 H new ATOM 0 HB2 ASN A 68 20.735 -10.884 8.684 1.00 25.00 H new ATOM 0 HB3 ASN A 68 22.076 -11.229 9.759 1.00 25.00 H new ATOM 0 HD21 ASN A 68 18.877 -12.923 10.866 1.00 25.00 H new ATOM 0 HD22 ASN A 68 19.673 -12.767 9.296 1.00 25.00 H new ATOM 1176 N THR A 69 22.135 -8.341 7.843 1.00 25.00 N ATOM 1177 CA THR A 69 23.158 -7.940 6.879 1.00 25.00 C ATOM 1178 C THR A 69 23.863 -6.622 7.222 1.00 25.00 C ATOM 1179 O THR A 69 25.074 -6.498 7.041 1.00 25.00 O ATOM 1180 CB THR A 69 22.518 -7.807 5.481 1.00 25.00 C ATOM 1181 OG1 THR A 69 21.658 -8.927 5.263 1.00 25.00 O ATOM 1182 CG2 THR A 69 23.567 -7.798 4.379 1.00 25.00 C ATOM 0 H THR A 69 21.179 -8.282 7.492 1.00 25.00 H new ATOM 0 HA THR A 69 23.919 -8.720 6.905 1.00 25.00 H new ATOM 0 HB THR A 69 21.970 -6.865 5.449 1.00 25.00 H new ATOM 0 HG1 THR A 69 21.243 -8.854 4.378 1.00 25.00 H new ATOM 0 HG21 THR A 69 23.076 -7.703 3.410 1.00 25.00 H new ATOM 0 HG22 THR A 69 24.243 -6.956 4.527 1.00 25.00 H new ATOM 0 HG23 THR A 69 24.134 -8.728 4.409 1.00 25.00 H new ATOM 1190 N PHE A 70 23.105 -5.621 7.654 1.00 25.00 N ATOM 1191 CA PHE A 70 23.666 -4.280 7.890 1.00 25.00 C ATOM 1192 C PHE A 70 23.390 -3.680 9.276 1.00 25.00 C ATOM 1193 O PHE A 70 23.770 -2.540 9.548 1.00 25.00 O ATOM 1194 CB PHE A 70 23.120 -3.328 6.833 1.00 25.00 C ATOM 1195 CG PHE A 70 23.668 -3.562 5.455 1.00 25.00 C ATOM 1196 CD1 PHE A 70 24.962 -3.122 5.119 1.00 25.00 C ATOM 1197 CD2 PHE A 70 22.887 -4.202 4.475 1.00 25.00 C ATOM 1198 CE1 PHE A 70 25.478 -3.318 3.815 1.00 25.00 C ATOM 1199 CE2 PHE A 70 23.391 -4.404 3.165 1.00 25.00 C ATOM 1200 CZ PHE A 70 24.690 -3.961 2.836 1.00 25.00 C ATOM 0 H PHE A 70 22.107 -5.703 7.849 1.00 25.00 H new ATOM 0 HA PHE A 70 24.747 -4.404 7.833 1.00 25.00 H new ATOM 0 HB2 PHE A 70 22.034 -3.422 6.801 1.00 25.00 H new ATOM 0 HB3 PHE A 70 23.343 -2.304 7.132 1.00 25.00 H new ATOM 0 HD1 PHE A 70 25.568 -2.629 5.864 1.00 25.00 H new ATOM 0 HD2 PHE A 70 21.893 -4.543 4.723 1.00 25.00 H new ATOM 0 HE1 PHE A 70 26.473 -2.976 3.570 1.00 25.00 H new ATOM 0 HE2 PHE A 70 22.782 -4.896 2.421 1.00 25.00 H new ATOM 0 HZ PHE A 70 25.079 -4.113 1.840 1.00 25.00 H new ATOM 1210 N GLY A 71 22.714 -4.413 10.142 1.00 25.00 N ATOM 1211 CA GLY A 71 22.398 -3.899 11.463 1.00 25.00 C ATOM 1212 C GLY A 71 21.215 -2.940 11.471 1.00 25.00 C ATOM 1213 O GLY A 71 20.433 -2.884 10.506 1.00 25.00 O ATOM 0 H GLY A 71 22.376 -5.357 9.958 1.00 25.00 H new ATOM 0 HA2 GLY A 71 22.183 -4.735 12.128 1.00 25.00 H new ATOM 0 HA3 GLY A 71 23.273 -3.388 11.865 1.00 25.00 H new ATOM 1217 N PRO A 72 21.056 -2.144 12.547 1.00 25.00 N ATOM 1218 CA PRO A 72 19.915 -1.222 12.650 1.00 25.00 C ATOM 1219 C PRO A 72 19.977 -0.035 11.696 1.00 25.00 C ATOM 1220 O PRO A 72 19.005 0.702 11.550 1.00 25.00 O ATOM 1221 CB PRO A 72 19.984 -0.761 14.107 1.00 25.00 C ATOM 1222 CG PRO A 72 21.419 -0.814 14.433 1.00 25.00 C ATOM 1223 CD PRO A 72 21.914 -2.061 13.746 1.00 25.00 C ATOM 0 HA PRO A 72 18.982 -1.713 12.372 1.00 25.00 H new ATOM 0 HB2 PRO A 72 19.585 0.246 14.226 1.00 25.00 H new ATOM 0 HB3 PRO A 72 19.403 -1.413 14.759 1.00 25.00 H new ATOM 0 HG2 PRO A 72 21.941 0.072 14.072 1.00 25.00 H new ATOM 0 HG3 PRO A 72 21.580 -0.863 15.510 1.00 25.00 H new ATOM 0 HD2 PRO A 72 22.969 -1.985 13.483 1.00 25.00 H new ATOM 0 HD3 PRO A 72 21.807 -2.941 14.381 1.00 25.00 H new ATOM 1231 N GLU A 73 21.099 0.111 11.006 1.00 25.00 N ATOM 1232 CA GLU A 73 21.287 1.187 10.036 1.00 25.00 C ATOM 1233 C GLU A 73 20.508 0.911 8.745 1.00 25.00 C ATOM 1234 O GLU A 73 20.458 1.743 7.840 1.00 25.00 O ATOM 1235 CB GLU A 73 22.779 1.333 9.711 1.00 25.00 C ATOM 1236 CG GLU A 73 23.677 1.429 10.949 1.00 25.00 C ATOM 1237 CD GLU A 73 23.229 2.514 11.920 1.00 25.00 C ATOM 1238 OE1 GLU A 73 23.094 3.682 11.502 1.00 25.00 O ATOM 1239 OE2 GLU A 73 22.995 2.186 13.106 1.00 25.00 O ATOM 0 H GLU A 73 21.903 -0.509 11.100 1.00 25.00 H new ATOM 0 HA GLU A 73 20.909 2.111 10.475 1.00 25.00 H new ATOM 0 HB2 GLU A 73 23.095 0.480 9.110 1.00 25.00 H new ATOM 0 HB3 GLU A 73 22.922 2.224 9.100 1.00 25.00 H new ATOM 0 HG2 GLU A 73 23.683 0.468 11.463 1.00 25.00 H new ATOM 0 HG3 GLU A 73 24.701 1.629 10.635 1.00 25.00 H new ATOM 1246 N LYS A 74 19.908 -0.272 8.662 1.00 25.00 N ATOM 1247 CA LYS A 74 19.117 -0.662 7.490 1.00 25.00 C ATOM 1248 C LYS A 74 17.656 -0.859 7.822 1.00 25.00 C ATOM 1249 O LYS A 74 16.784 -0.358 7.117 1.00 25.00 O ATOM 1250 CB LYS A 74 19.671 -1.952 6.908 1.00 25.00 C ATOM 1251 CG LYS A 74 19.830 -1.936 5.398 1.00 25.00 C ATOM 1252 CD LYS A 74 20.926 -0.976 4.946 1.00 25.00 C ATOM 1253 CE LYS A 74 21.164 -1.104 3.454 1.00 25.00 C ATOM 1254 NZ LYS A 74 22.347 -0.282 3.046 1.00 25.00 N ATOM 0 H LYS A 74 19.952 -0.982 9.393 1.00 25.00 H new ATOM 0 HA LYS A 74 19.189 0.150 6.766 1.00 25.00 H new ATOM 0 HB2 LYS A 74 20.641 -2.155 7.362 1.00 25.00 H new ATOM 0 HB3 LYS A 74 19.011 -2.775 7.184 1.00 25.00 H new ATOM 0 HG2 LYS A 74 20.063 -2.942 5.048 1.00 25.00 H new ATOM 0 HG3 LYS A 74 18.885 -1.649 4.937 1.00 25.00 H new ATOM 0 HD2 LYS A 74 20.643 0.048 5.188 1.00 25.00 H new ATOM 0 HD3 LYS A 74 21.848 -1.188 5.487 1.00 25.00 H new ATOM 0 HE2 LYS A 74 21.331 -2.149 3.194 1.00 25.00 H new ATOM 0 HE3 LYS A 74 20.279 -0.777 2.908 1.00 25.00 H new ATOM 0 HZ1 LYS A 74 22.500 -0.378 2.022 1.00 25.00 H new ATOM 0 HZ2 LYS A 74 22.172 0.717 3.278 1.00 25.00 H new ATOM 0 HZ3 LYS A 74 23.192 -0.613 3.555 1.00 25.00 H new ATOM 1268 N VAL A 75 17.385 -1.572 8.902 1.00 25.00 N ATOM 1269 CA VAL A 75 16.013 -1.758 9.351 1.00 25.00 C ATOM 1270 C VAL A 75 15.982 -1.218 10.768 1.00 25.00 C ATOM 1271 O VAL A 75 16.808 -1.602 11.593 1.00 25.00 O ATOM 1272 CB VAL A 75 15.634 -3.275 9.345 1.00 25.00 C ATOM 1273 CG1 VAL A 75 14.207 -3.497 9.854 1.00 25.00 C ATOM 1274 CG2 VAL A 75 15.771 -3.860 7.937 1.00 25.00 C ATOM 0 H VAL A 75 18.089 -2.029 9.481 1.00 25.00 H new ATOM 0 HA VAL A 75 15.302 -1.249 8.700 1.00 25.00 H new ATOM 0 HB VAL A 75 16.325 -3.785 10.017 1.00 25.00 H new ATOM 0 HG11 VAL A 75 13.976 -4.562 9.837 1.00 25.00 H new ATOM 0 HG12 VAL A 75 14.123 -3.124 10.875 1.00 25.00 H new ATOM 0 HG13 VAL A 75 13.505 -2.963 9.213 1.00 25.00 H new ATOM 0 HG21 VAL A 75 15.503 -4.916 7.954 1.00 25.00 H new ATOM 0 HG22 VAL A 75 15.107 -3.328 7.256 1.00 25.00 H new ATOM 0 HG23 VAL A 75 16.801 -3.753 7.597 1.00 25.00 H new ATOM 1284 N PRO A 76 15.002 -0.362 11.097 1.00 25.00 N ATOM 1285 CA PRO A 76 15.036 0.099 12.486 1.00 25.00 C ATOM 1286 C PRO A 76 14.517 -0.964 13.434 1.00 25.00 C ATOM 1287 O PRO A 76 13.658 -1.761 13.074 1.00 25.00 O ATOM 1288 CB PRO A 76 14.109 1.313 12.462 1.00 25.00 C ATOM 1289 CG PRO A 76 13.126 1.008 11.395 1.00 25.00 C ATOM 1290 CD PRO A 76 13.905 0.265 10.335 1.00 25.00 C ATOM 0 HA PRO A 76 16.042 0.328 12.837 1.00 25.00 H new ATOM 0 HB2 PRO A 76 13.618 1.457 13.425 1.00 25.00 H new ATOM 0 HB3 PRO A 76 14.659 2.228 12.245 1.00 25.00 H new ATOM 0 HG2 PRO A 76 12.306 0.401 11.778 1.00 25.00 H new ATOM 0 HG3 PRO A 76 12.686 1.921 10.993 1.00 25.00 H new ATOM 0 HD2 PRO A 76 13.289 -0.479 9.831 1.00 25.00 H new ATOM 0 HD3 PRO A 76 14.283 0.939 9.567 1.00 25.00 H new ATOM 1298 N VAL A 77 14.963 -0.934 14.678 1.00 25.00 N ATOM 1299 CA VAL A 77 14.465 -1.883 15.672 1.00 25.00 C ATOM 1300 C VAL A 77 12.971 -1.654 15.937 1.00 25.00 C ATOM 1301 O VAL A 77 12.254 -2.559 16.355 1.00 25.00 O ATOM 1302 CB VAL A 77 15.279 -1.806 16.995 1.00 25.00 C ATOM 1303 CG1 VAL A 77 16.737 -2.224 16.742 1.00 25.00 C ATOM 1304 CG2 VAL A 77 15.243 -0.385 17.597 1.00 25.00 C ATOM 0 H VAL A 77 15.659 -0.275 15.026 1.00 25.00 H new ATOM 0 HA VAL A 77 14.595 -2.886 15.266 1.00 25.00 H new ATOM 0 HB VAL A 77 14.821 -2.490 17.709 1.00 25.00 H new ATOM 0 HG11 VAL A 77 17.299 -2.167 17.674 1.00 25.00 H new ATOM 0 HG12 VAL A 77 16.762 -3.247 16.365 1.00 25.00 H new ATOM 0 HG13 VAL A 77 17.185 -1.555 16.007 1.00 25.00 H new ATOM 0 HG21 VAL A 77 15.822 -0.366 18.521 1.00 25.00 H new ATOM 0 HG22 VAL A 77 15.671 0.322 16.886 1.00 25.00 H new ATOM 0 HG23 VAL A 77 14.211 -0.106 17.810 1.00 25.00 H new ATOM 1314 N THR A 78 12.476 -0.462 15.619 1.00 25.00 N ATOM 1315 CA THR A 78 11.053 -0.178 15.785 1.00 25.00 C ATOM 1316 C THR A 78 10.217 -0.862 14.714 1.00 25.00 C ATOM 1317 O THR A 78 9.029 -1.049 14.902 1.00 25.00 O ATOM 1318 CB THR A 78 10.746 1.344 15.797 1.00 25.00 C ATOM 1319 OG1 THR A 78 9.507 1.572 16.470 1.00 25.00 O ATOM 1320 CG2 THR A 78 10.646 1.934 14.413 1.00 25.00 C ATOM 0 H THR A 78 13.028 0.313 15.251 1.00 25.00 H new ATOM 0 HA THR A 78 10.780 -0.582 16.760 1.00 25.00 H new ATOM 0 HB THR A 78 11.577 1.829 16.310 1.00 25.00 H new ATOM 0 HG1 THR A 78 8.883 0.846 16.261 1.00 25.00 H new ATOM 0 HG21 THR A 78 10.430 3.000 14.487 1.00 25.00 H new ATOM 0 HG22 THR A 78 11.590 1.790 13.887 1.00 25.00 H new ATOM 0 HG23 THR A 78 9.846 1.439 13.863 1.00 25.00 H new ATOM 1328 N ALA A 79 10.822 -1.288 13.611 1.00 25.00 N ATOM 1329 CA ALA A 79 10.057 -1.983 12.580 1.00 25.00 C ATOM 1330 C ALA A 79 9.508 -3.288 13.147 1.00 25.00 C ATOM 1331 O ALA A 79 8.388 -3.673 12.854 1.00 25.00 O ATOM 1332 CB ALA A 79 10.920 -2.248 11.361 1.00 25.00 C ATOM 0 H ALA A 79 11.815 -1.169 13.409 1.00 25.00 H new ATOM 0 HA ALA A 79 9.224 -1.353 12.268 1.00 25.00 H new ATOM 0 HB1 ALA A 79 10.331 -2.767 10.604 1.00 25.00 H new ATOM 0 HB2 ALA A 79 11.278 -1.302 10.956 1.00 25.00 H new ATOM 0 HB3 ALA A 79 11.771 -2.867 11.645 1.00 25.00 H new ATOM 1338 N PHE A 80 10.285 -3.935 14.004 1.00 25.00 N ATOM 1339 CA PHE A 80 9.855 -5.175 14.646 1.00 25.00 C ATOM 1340 C PHE A 80 8.789 -4.895 15.704 1.00 25.00 C ATOM 1341 O PHE A 80 7.929 -5.725 15.977 1.00 25.00 O ATOM 1342 CB PHE A 80 11.056 -5.855 15.303 1.00 25.00 C ATOM 1343 CG PHE A 80 12.168 -6.160 14.341 1.00 25.00 C ATOM 1344 CD1 PHE A 80 12.194 -7.381 13.647 1.00 25.00 C ATOM 1345 CD2 PHE A 80 13.199 -5.226 14.122 1.00 25.00 C ATOM 1346 CE1 PHE A 80 13.236 -7.672 12.742 1.00 25.00 C ATOM 1347 CE2 PHE A 80 14.243 -5.499 13.210 1.00 25.00 C ATOM 1348 CZ PHE A 80 14.261 -6.726 12.519 1.00 25.00 C ATOM 0 H PHE A 80 11.218 -3.624 14.273 1.00 25.00 H new ATOM 0 HA PHE A 80 9.429 -5.829 13.885 1.00 25.00 H new ATOM 0 HB2 PHE A 80 11.438 -5.213 16.097 1.00 25.00 H new ATOM 0 HB3 PHE A 80 10.727 -6.782 15.773 1.00 25.00 H new ATOM 0 HD1 PHE A 80 11.408 -8.104 13.808 1.00 25.00 H new ATOM 0 HD2 PHE A 80 13.192 -4.289 14.658 1.00 25.00 H new ATOM 0 HE1 PHE A 80 13.250 -8.617 12.220 1.00 25.00 H new ATOM 0 HE2 PHE A 80 15.023 -4.771 13.044 1.00 25.00 H new ATOM 0 HZ PHE A 80 15.056 -6.943 11.821 1.00 25.00 H new ATOM 1358 N SER A 81 8.838 -3.710 16.286 1.00 25.00 N ATOM 1359 CA SER A 81 7.868 -3.313 17.311 1.00 25.00 C ATOM 1360 C SER A 81 6.535 -3.016 16.637 1.00 25.00 C ATOM 1361 O SER A 81 5.482 -3.491 17.060 1.00 25.00 O ATOM 1362 CB SER A 81 8.362 -2.076 18.067 1.00 25.00 C ATOM 1363 OG SER A 81 7.471 -1.735 19.112 1.00 25.00 O ATOM 0 H SER A 81 9.537 -2.999 16.071 1.00 25.00 H new ATOM 0 HA SER A 81 7.747 -4.124 18.029 1.00 25.00 H new ATOM 0 HB2 SER A 81 9.354 -2.267 18.477 1.00 25.00 H new ATOM 0 HB3 SER A 81 8.458 -1.237 17.377 1.00 25.00 H new ATOM 0 HG SER A 81 7.806 -0.943 19.583 1.00 25.00 H new ATOM 1369 N TYR A 82 6.600 -2.293 15.531 1.00 25.00 N ATOM 1370 CA TYR A 82 5.425 -2.010 14.725 1.00 25.00 C ATOM 1371 C TYR A 82 4.860 -3.311 14.193 1.00 25.00 C ATOM 1372 O TYR A 82 3.666 -3.542 14.243 1.00 25.00 O ATOM 1373 CB TYR A 82 5.794 -1.096 13.558 1.00 25.00 C ATOM 1374 CG TYR A 82 5.537 0.359 13.854 1.00 25.00 C ATOM 1375 CD1 TYR A 82 4.274 0.916 13.586 1.00 25.00 C ATOM 1376 CD2 TYR A 82 6.536 1.186 14.421 1.00 25.00 C ATOM 1377 CE1 TYR A 82 4.006 2.286 13.865 1.00 25.00 C ATOM 1378 CE2 TYR A 82 6.271 2.555 14.700 1.00 25.00 C ATOM 1379 CZ TYR A 82 5.008 3.090 14.412 1.00 25.00 C ATOM 1380 OH TYR A 82 4.749 4.412 14.668 1.00 25.00 O ATOM 0 H TYR A 82 7.463 -1.888 15.169 1.00 25.00 H new ATOM 0 HA TYR A 82 4.679 -1.509 15.342 1.00 25.00 H new ATOM 0 HB2 TYR A 82 6.848 -1.232 13.314 1.00 25.00 H new ATOM 0 HB3 TYR A 82 5.223 -1.390 12.677 1.00 25.00 H new ATOM 0 HD1 TYR A 82 3.497 0.296 13.163 1.00 25.00 H new ATOM 0 HD2 TYR A 82 7.509 0.773 14.644 1.00 25.00 H new ATOM 0 HE1 TYR A 82 3.032 2.702 13.654 1.00 25.00 H new ATOM 0 HE2 TYR A 82 7.039 3.179 15.132 1.00 25.00 H new ATOM 0 HH TYR A 82 5.547 4.834 15.048 1.00 25.00 H new ATOM 1390 N TRP A 83 5.729 -4.190 13.730 1.00 25.00 N ATOM 1391 CA TRP A 83 5.305 -5.480 13.211 1.00 25.00 C ATOM 1392 C TRP A 83 4.527 -6.270 14.262 1.00 25.00 C ATOM 1393 O TRP A 83 3.535 -6.927 13.948 1.00 25.00 O ATOM 1394 CB TRP A 83 6.542 -6.270 12.778 1.00 25.00 C ATOM 1395 CG TRP A 83 6.270 -7.702 12.439 1.00 25.00 C ATOM 1396 CD1 TRP A 83 5.778 -8.206 11.280 1.00 25.00 C ATOM 1397 CD2 TRP A 83 6.505 -8.845 13.284 1.00 25.00 C ATOM 1398 NE1 TRP A 83 5.671 -9.567 11.328 1.00 25.00 N ATOM 1399 CE2 TRP A 83 6.124 -10.002 12.545 1.00 25.00 C ATOM 1400 CE3 TRP A 83 7.009 -9.009 14.590 1.00 25.00 C ATOM 1401 CZ2 TRP A 83 6.249 -11.304 13.071 1.00 25.00 C ATOM 1402 CZ3 TRP A 83 7.134 -10.316 15.123 1.00 25.00 C ATOM 1403 CH2 TRP A 83 6.755 -11.451 14.350 1.00 25.00 C ATOM 0 H TRP A 83 6.737 -4.035 13.702 1.00 25.00 H new ATOM 0 HA TRP A 83 4.645 -5.317 12.359 1.00 25.00 H new ATOM 0 HB2 TRP A 83 6.986 -5.781 11.911 1.00 25.00 H new ATOM 0 HB3 TRP A 83 7.281 -6.232 13.578 1.00 25.00 H new ATOM 0 HD1 TRP A 83 5.505 -7.606 10.425 1.00 25.00 H new ATOM 0 HE1 TRP A 83 5.313 -10.161 10.581 1.00 25.00 H new ATOM 0 HE3 TRP A 83 7.296 -8.149 15.177 1.00 25.00 H new ATOM 0 HZ2 TRP A 83 5.957 -12.166 12.489 1.00 25.00 H new ATOM 0 HZ3 TRP A 83 7.519 -10.453 16.123 1.00 25.00 H new ATOM 0 HH2 TRP A 83 6.864 -12.441 14.769 1.00 25.00 H new ATOM 1414 N ASN A 84 4.958 -6.172 15.514 1.00 25.00 N ATOM 1415 CA ASN A 84 4.309 -6.881 16.623 1.00 25.00 C ATOM 1416 C ASN A 84 2.923 -6.300 16.919 1.00 25.00 C ATOM 1417 O ASN A 84 2.021 -7.018 17.340 1.00 25.00 O ATOM 1418 CB ASN A 84 5.166 -6.812 17.895 1.00 25.00 C ATOM 1419 CG ASN A 84 6.067 -8.017 18.060 1.00 25.00 C ATOM 1420 OD1 ASN A 84 5.617 -9.108 18.392 1.00 25.00 O ATOM 1421 ND2 ASN A 84 7.336 -7.830 17.845 1.00 25.00 N ATOM 0 H ASN A 84 5.759 -5.606 15.793 1.00 25.00 H new ATOM 0 HA ASN A 84 4.199 -7.922 16.318 1.00 25.00 H new ATOM 0 HB2 ASN A 84 5.776 -5.909 17.869 1.00 25.00 H new ATOM 0 HB3 ASN A 84 4.513 -6.730 18.764 1.00 25.00 H new ATOM 0 HD21 ASN A 84 7.991 -8.605 17.951 1.00 25.00 H new ATOM 0 HD22 ASN A 84 7.676 -6.909 17.570 1.00 25.00 H new ATOM 1428 N LEU A 85 2.750 -5.008 16.675 1.00 25.00 N ATOM 1429 CA LEU A 85 1.467 -4.347 16.904 1.00 25.00 C ATOM 1430 C LEU A 85 0.408 -4.907 15.953 1.00 25.00 C ATOM 1431 O LEU A 85 -0.705 -5.203 16.359 1.00 25.00 O ATOM 1432 CB LEU A 85 1.631 -2.827 16.715 1.00 25.00 C ATOM 1433 CG LEU A 85 0.440 -1.919 17.060 1.00 25.00 C ATOM 1434 CD1 LEU A 85 0.968 -0.549 17.502 1.00 25.00 C ATOM 1435 CD2 LEU A 85 -0.513 -1.727 15.876 1.00 25.00 C ATOM 0 H LEU A 85 3.482 -4.394 16.318 1.00 25.00 H new ATOM 0 HA LEU A 85 1.136 -4.538 17.925 1.00 25.00 H new ATOM 0 HB2 LEU A 85 2.480 -2.506 17.319 1.00 25.00 H new ATOM 0 HB3 LEU A 85 1.895 -2.648 15.673 1.00 25.00 H new ATOM 0 HG LEU A 85 -0.121 -2.402 17.860 1.00 25.00 H new ATOM 0 HD11 LEU A 85 0.129 0.102 17.749 1.00 25.00 H new ATOM 0 HD12 LEU A 85 1.604 -0.670 18.379 1.00 25.00 H new ATOM 0 HD13 LEU A 85 1.547 -0.104 16.693 1.00 25.00 H new ATOM 0 HD21 LEU A 85 -1.336 -1.078 16.173 1.00 25.00 H new ATOM 0 HD22 LEU A 85 0.026 -1.272 15.045 1.00 25.00 H new ATOM 0 HD23 LEU A 85 -0.908 -2.695 15.566 1.00 25.00 H new ATOM 1447 N ILE A 86 0.761 -5.077 14.688 1.00 25.00 N ATOM 1448 CA ILE A 86 -0.189 -5.621 13.713 1.00 25.00 C ATOM 1449 C ILE A 86 -0.293 -7.143 13.882 1.00 25.00 C ATOM 1450 O ILE A 86 -1.348 -7.736 13.670 1.00 25.00 O ATOM 1451 CB ILE A 86 0.213 -5.274 12.243 1.00 25.00 C ATOM 1452 CG1 ILE A 86 0.145 -3.753 11.986 1.00 25.00 C ATOM 1453 CG2 ILE A 86 -0.749 -5.940 11.259 1.00 25.00 C ATOM 1454 CD1 ILE A 86 1.436 -2.991 12.257 1.00 25.00 C ATOM 0 H ILE A 86 1.682 -4.852 14.311 1.00 25.00 H new ATOM 0 HA ILE A 86 -1.158 -5.160 13.904 1.00 25.00 H new ATOM 0 HB ILE A 86 1.232 -5.633 12.100 1.00 25.00 H new ATOM 0 HG12 ILE A 86 -0.144 -3.589 10.948 1.00 25.00 H new ATOM 0 HG13 ILE A 86 -0.645 -3.331 12.607 1.00 25.00 H new ATOM 0 HG21 ILE A 86 -0.457 -5.690 10.239 1.00 25.00 H new ATOM 0 HG22 ILE A 86 -0.714 -7.021 11.391 1.00 25.00 H new ATOM 0 HG23 ILE A 86 -1.763 -5.584 11.444 1.00 25.00 H new ATOM 0 HD11 ILE A 86 1.285 -1.932 12.047 1.00 25.00 H new ATOM 0 HD12 ILE A 86 1.720 -3.116 13.302 1.00 25.00 H new ATOM 0 HD13 ILE A 86 2.228 -3.378 11.617 1.00 25.00 H new ATOM 1466 N LYS A 87 0.796 -7.768 14.305 1.00 25.00 N ATOM 1467 CA LYS A 87 0.835 -9.216 14.522 1.00 25.00 C ATOM 1468 C LYS A 87 -0.300 -9.670 15.425 1.00 25.00 C ATOM 1469 O LYS A 87 -1.033 -10.579 15.064 1.00 25.00 O ATOM 1470 CB LYS A 87 2.194 -9.567 15.131 1.00 25.00 C ATOM 1471 CG LYS A 87 2.364 -10.941 15.723 1.00 25.00 C ATOM 1472 CD LYS A 87 3.638 -10.924 16.540 1.00 25.00 C ATOM 1473 CE LYS A 87 3.843 -12.183 17.349 1.00 25.00 C ATOM 1474 NZ LYS A 87 5.073 -12.010 18.200 1.00 25.00 N ATOM 0 H LYS A 87 1.676 -7.293 14.508 1.00 25.00 H new ATOM 0 HA LYS A 87 0.706 -9.734 13.572 1.00 25.00 H new ATOM 0 HB2 LYS A 87 2.951 -9.440 14.357 1.00 25.00 H new ATOM 0 HB3 LYS A 87 2.410 -8.837 15.911 1.00 25.00 H new ATOM 0 HG2 LYS A 87 1.509 -11.198 16.349 1.00 25.00 H new ATOM 0 HG3 LYS A 87 2.422 -11.694 14.937 1.00 25.00 H new ATOM 0 HD2 LYS A 87 4.488 -10.787 15.872 1.00 25.00 H new ATOM 0 HD3 LYS A 87 3.619 -10.067 17.213 1.00 25.00 H new ATOM 0 HE2 LYS A 87 2.973 -12.376 17.976 1.00 25.00 H new ATOM 0 HE3 LYS A 87 3.957 -13.043 16.689 1.00 25.00 H new ATOM 0 HZ1 LYS A 87 4.899 -12.404 19.146 1.00 25.00 H new ATOM 0 HZ2 LYS A 87 5.873 -12.508 17.759 1.00 25.00 H new ATOM 0 HZ3 LYS A 87 5.298 -10.998 18.283 1.00 25.00 H new ATOM 1488 N GLU A 88 -0.469 -9.040 16.577 1.00 25.00 N ATOM 1489 CA GLU A 88 -1.531 -9.455 17.495 1.00 25.00 C ATOM 1490 C GLU A 88 -2.918 -9.105 16.947 1.00 25.00 C ATOM 1491 O GLU A 88 -3.884 -9.816 17.208 1.00 25.00 O ATOM 1492 CB GLU A 88 -1.324 -8.841 18.886 1.00 25.00 C ATOM 1493 CG GLU A 88 -1.474 -7.331 18.940 1.00 25.00 C ATOM 1494 CD GLU A 88 -1.189 -6.773 20.316 1.00 25.00 C ATOM 1495 OE1 GLU A 88 -0.003 -6.636 20.675 1.00 25.00 O ATOM 1496 OE2 GLU A 88 -2.147 -6.372 21.009 1.00 25.00 O ATOM 0 H GLU A 88 0.099 -8.256 16.899 1.00 25.00 H new ATOM 0 HA GLU A 88 -1.477 -10.540 17.588 1.00 25.00 H new ATOM 0 HB2 GLU A 88 -2.039 -9.289 19.576 1.00 25.00 H new ATOM 0 HB3 GLU A 88 -0.328 -9.107 19.241 1.00 25.00 H new ATOM 0 HG2 GLU A 88 -0.796 -6.875 18.218 1.00 25.00 H new ATOM 0 HG3 GLU A 88 -2.487 -7.058 18.643 1.00 25.00 H new ATOM 1503 N LEU A 89 -3.013 -8.045 16.153 1.00 25.00 N ATOM 1504 CA LEU A 89 -4.294 -7.637 15.578 1.00 25.00 C ATOM 1505 C LEU A 89 -4.808 -8.673 14.588 1.00 25.00 C ATOM 1506 O LEU A 89 -5.994 -8.978 14.565 1.00 25.00 O ATOM 1507 CB LEU A 89 -4.177 -6.268 14.899 1.00 25.00 C ATOM 1508 CG LEU A 89 -4.082 -5.057 15.848 1.00 25.00 C ATOM 1509 CD1 LEU A 89 -3.768 -3.794 15.045 1.00 25.00 C ATOM 1510 CD2 LEU A 89 -5.381 -4.844 16.639 1.00 25.00 C ATOM 0 H LEU A 89 -2.224 -7.454 15.892 1.00 25.00 H new ATOM 0 HA LEU A 89 -5.011 -7.560 16.395 1.00 25.00 H new ATOM 0 HB2 LEU A 89 -3.295 -6.275 14.259 1.00 25.00 H new ATOM 0 HB3 LEU A 89 -5.041 -6.130 14.249 1.00 25.00 H new ATOM 0 HG LEU A 89 -3.283 -5.261 16.560 1.00 25.00 H new ATOM 0 HD11 LEU A 89 -3.702 -2.941 15.720 1.00 25.00 H new ATOM 0 HD12 LEU A 89 -2.818 -3.920 14.525 1.00 25.00 H new ATOM 0 HD13 LEU A 89 -4.560 -3.620 14.317 1.00 25.00 H new ATOM 0 HD21 LEU A 89 -5.270 -3.981 17.295 1.00 25.00 H new ATOM 0 HD22 LEU A 89 -6.204 -4.670 15.946 1.00 25.00 H new ATOM 0 HD23 LEU A 89 -5.592 -5.730 17.238 1.00 25.00 H new ATOM 1522 N ILE A 90 -3.918 -9.237 13.786 1.00 25.00 N ATOM 1523 CA ILE A 90 -4.325 -10.270 12.835 1.00 25.00 C ATOM 1524 C ILE A 90 -4.523 -11.597 13.568 1.00 25.00 C ATOM 1525 O ILE A 90 -5.480 -12.333 13.303 1.00 25.00 O ATOM 1526 CB ILE A 90 -3.270 -10.500 11.718 1.00 25.00 C ATOM 1527 CG1 ILE A 90 -2.981 -9.201 10.944 1.00 25.00 C ATOM 1528 CG2 ILE A 90 -3.782 -11.558 10.727 1.00 25.00 C ATOM 1529 CD1 ILE A 90 -1.768 -9.323 10.013 1.00 25.00 C ATOM 0 H ILE A 90 -2.925 -9.005 13.770 1.00 25.00 H new ATOM 0 HA ILE A 90 -5.251 -9.924 12.375 1.00 25.00 H new ATOM 0 HB ILE A 90 -2.351 -10.839 12.196 1.00 25.00 H new ATOM 0 HG12 ILE A 90 -3.858 -8.930 10.357 1.00 25.00 H new ATOM 0 HG13 ILE A 90 -2.809 -8.391 11.653 1.00 25.00 H new ATOM 0 HG21 ILE A 90 -3.038 -11.715 9.946 1.00 25.00 H new ATOM 0 HG22 ILE A 90 -3.958 -12.496 11.254 1.00 25.00 H new ATOM 0 HG23 ILE A 90 -4.713 -11.214 10.277 1.00 25.00 H new ATOM 0 HD11 ILE A 90 -1.612 -8.378 9.493 1.00 25.00 H new ATOM 0 HD12 ILE A 90 -0.882 -9.565 10.600 1.00 25.00 H new ATOM 0 HD13 ILE A 90 -1.947 -10.113 9.283 1.00 25.00 H new ATOM 1541 N ASP A 91 -3.608 -11.913 14.475 1.00 25.00 N ATOM 1542 CA ASP A 91 -3.640 -13.192 15.193 1.00 25.00 C ATOM 1543 C ASP A 91 -4.932 -13.333 15.984 1.00 25.00 C ATOM 1544 O ASP A 91 -5.518 -14.403 16.046 1.00 25.00 O ATOM 1545 CB ASP A 91 -2.447 -13.283 16.146 1.00 25.00 C ATOM 1546 CG ASP A 91 -2.282 -14.663 16.746 1.00 25.00 C ATOM 1547 OD1 ASP A 91 -2.089 -15.629 15.976 1.00 25.00 O ATOM 1548 OD2 ASP A 91 -2.254 -14.768 17.992 1.00 25.00 O ATOM 0 H ASP A 91 -2.832 -11.305 14.735 1.00 25.00 H new ATOM 0 HA ASP A 91 -3.587 -13.998 14.461 1.00 25.00 H new ATOM 0 HB2 ASP A 91 -1.537 -13.014 15.609 1.00 25.00 H new ATOM 0 HB3 ASP A 91 -2.572 -12.555 16.948 1.00 25.00 H new ATOM 1553 N LYS A 92 -5.400 -12.226 16.543 1.00 25.00 N ATOM 1554 CA LYS A 92 -6.630 -12.215 17.332 1.00 25.00 C ATOM 1555 C LYS A 92 -7.711 -11.398 16.649 1.00 25.00 C ATOM 1556 O LYS A 92 -8.509 -10.728 17.306 1.00 25.00 O ATOM 1557 CB LYS A 92 -6.334 -11.691 18.742 1.00 25.00 C ATOM 1558 CG LYS A 92 -5.287 -12.526 19.496 1.00 25.00 C ATOM 1559 CD LYS A 92 -5.777 -13.967 19.756 1.00 25.00 C ATOM 1560 CE LYS A 92 -4.683 -14.828 20.365 1.00 25.00 C ATOM 1561 NZ LYS A 92 -4.219 -14.297 21.681 1.00 25.00 N ATOM 0 H LYS A 92 -4.945 -11.316 16.465 1.00 25.00 H new ATOM 0 HA LYS A 92 -7.007 -13.235 17.414 1.00 25.00 H new ATOM 0 HB2 LYS A 92 -5.985 -10.661 18.673 1.00 25.00 H new ATOM 0 HB3 LYS A 92 -7.259 -11.676 19.318 1.00 25.00 H new ATOM 0 HG2 LYS A 92 -4.363 -12.556 18.919 1.00 25.00 H new ATOM 0 HG3 LYS A 92 -5.055 -12.045 20.446 1.00 25.00 H new ATOM 0 HD2 LYS A 92 -6.638 -13.944 20.425 1.00 25.00 H new ATOM 0 HD3 LYS A 92 -6.113 -14.412 18.819 1.00 25.00 H new ATOM 0 HE2 LYS A 92 -5.053 -15.845 20.495 1.00 25.00 H new ATOM 0 HE3 LYS A 92 -3.839 -14.881 19.678 1.00 25.00 H new ATOM 0 HZ1 LYS A 92 -3.561 -14.974 22.116 1.00 25.00 H new ATOM 0 HZ2 LYS A 92 -3.735 -13.388 21.537 1.00 25.00 H new ATOM 0 HZ3 LYS A 92 -5.037 -14.159 22.308 1.00 25.00 H new ATOM 1575 N LYS A 93 -7.779 -11.506 15.326 1.00 25.00 N ATOM 1576 CA LYS A 93 -8.833 -10.833 14.550 1.00 25.00 C ATOM 1577 C LYS A 93 -10.211 -11.332 15.004 1.00 25.00 C ATOM 1578 O LYS A 93 -11.203 -10.634 14.894 1.00 25.00 O ATOM 1579 CB LYS A 93 -8.646 -11.067 13.037 1.00 25.00 C ATOM 1580 CG LYS A 93 -8.960 -12.501 12.566 1.00 25.00 C ATOM 1581 CD LYS A 93 -8.783 -12.686 11.049 1.00 25.00 C ATOM 1582 CE LYS A 93 -7.322 -12.852 10.626 1.00 25.00 C ATOM 1583 NZ LYS A 93 -6.701 -14.079 11.245 1.00 25.00 N ATOM 0 H LYS A 93 -7.123 -12.049 14.764 1.00 25.00 H new ATOM 0 HA LYS A 93 -8.763 -9.760 14.731 1.00 25.00 H new ATOM 0 HB2 LYS A 93 -9.286 -10.372 12.493 1.00 25.00 H new ATOM 0 HB3 LYS A 93 -7.616 -10.828 12.770 1.00 25.00 H new ATOM 0 HG2 LYS A 93 -8.309 -13.201 13.090 1.00 25.00 H new ATOM 0 HG3 LYS A 93 -9.985 -12.752 12.840 1.00 25.00 H new ATOM 0 HD2 LYS A 93 -9.349 -13.561 10.728 1.00 25.00 H new ATOM 0 HD3 LYS A 93 -9.208 -11.825 10.533 1.00 25.00 H new ATOM 0 HE2 LYS A 93 -7.263 -12.922 9.540 1.00 25.00 H new ATOM 0 HE3 LYS A 93 -6.755 -11.969 10.920 1.00 25.00 H new ATOM 0 HZ1 LYS A 93 -6.040 -14.512 10.569 1.00 25.00 H new ATOM 0 HZ2 LYS A 93 -6.187 -13.810 12.108 1.00 25.00 H new ATOM 0 HZ3 LYS A 93 -7.447 -14.762 11.485 1.00 25.00 H new ATOM 1597 N GLU A 94 -10.232 -12.541 15.546 1.00 25.00 N ATOM 1598 CA GLU A 94 -11.451 -13.195 16.023 1.00 25.00 C ATOM 1599 C GLU A 94 -12.170 -12.440 17.148 1.00 25.00 C ATOM 1600 O GLU A 94 -13.389 -12.498 17.243 1.00 25.00 O ATOM 1601 CB GLU A 94 -11.089 -14.613 16.492 1.00 25.00 C ATOM 1602 CG GLU A 94 -9.956 -14.658 17.533 1.00 25.00 C ATOM 1603 CD GLU A 94 -9.536 -16.073 17.878 1.00 25.00 C ATOM 1604 OE1 GLU A 94 -8.932 -16.737 17.011 1.00 25.00 O ATOM 1605 OE2 GLU A 94 -9.756 -16.497 19.031 1.00 25.00 O ATOM 0 H GLU A 94 -9.393 -13.107 15.670 1.00 25.00 H new ATOM 0 HA GLU A 94 -12.153 -13.214 15.189 1.00 25.00 H new ATOM 0 HB2 GLU A 94 -11.977 -15.082 16.916 1.00 25.00 H new ATOM 0 HB3 GLU A 94 -10.797 -15.207 15.626 1.00 25.00 H new ATOM 0 HG2 GLU A 94 -9.095 -14.110 17.151 1.00 25.00 H new ATOM 0 HG3 GLU A 94 -10.281 -14.148 18.440 1.00 25.00 H new ATOM 1612 N VAL A 95 -11.428 -11.710 17.971 1.00 25.00 N ATOM 1613 CA VAL A 95 -12.022 -10.941 19.073 1.00 25.00 C ATOM 1614 C VAL A 95 -11.857 -9.448 18.817 1.00 25.00 C ATOM 1615 O VAL A 95 -12.191 -8.615 19.650 1.00 25.00 O ATOM 1616 CB VAL A 95 -11.399 -11.329 20.450 1.00 25.00 C ATOM 1617 CG1 VAL A 95 -11.801 -12.762 20.833 1.00 25.00 C ATOM 1618 CG2 VAL A 95 -9.865 -11.211 20.421 1.00 25.00 C ATOM 0 H VAL A 95 -10.414 -11.630 17.902 1.00 25.00 H new ATOM 0 HA VAL A 95 -13.084 -11.183 19.114 1.00 25.00 H new ATOM 0 HB VAL A 95 -11.784 -10.634 21.196 1.00 25.00 H new ATOM 0 HG11 VAL A 95 -11.359 -13.019 21.796 1.00 25.00 H new ATOM 0 HG12 VAL A 95 -12.887 -12.829 20.903 1.00 25.00 H new ATOM 0 HG13 VAL A 95 -11.443 -13.456 20.073 1.00 25.00 H new ATOM 0 HG21 VAL A 95 -9.460 -11.488 21.395 1.00 25.00 H new ATOM 0 HG22 VAL A 95 -9.463 -11.878 19.658 1.00 25.00 H new ATOM 0 HG23 VAL A 95 -9.583 -10.184 20.190 1.00 25.00 H new ATOM 1628 N ASN A 96 -11.373 -9.116 17.629 1.00 25.00 N ATOM 1629 CA ASN A 96 -11.225 -7.724 17.210 1.00 25.00 C ATOM 1630 C ASN A 96 -11.959 -7.541 15.882 1.00 25.00 C ATOM 1631 O ASN A 96 -11.334 -7.471 14.821 1.00 25.00 O ATOM 1632 CB ASN A 96 -9.742 -7.375 17.043 1.00 25.00 C ATOM 1633 CG ASN A 96 -9.041 -7.178 18.356 1.00 25.00 C ATOM 1634 OD1 ASN A 96 -9.176 -6.142 18.980 1.00 25.00 O ATOM 1635 ND2 ASN A 96 -8.276 -8.148 18.768 1.00 25.00 N ATOM 0 H ASN A 96 -11.073 -9.796 16.931 1.00 25.00 H new ATOM 0 HA ASN A 96 -11.647 -7.062 17.966 1.00 25.00 H new ATOM 0 HB2 ASN A 96 -9.246 -8.171 16.487 1.00 25.00 H new ATOM 0 HB3 ASN A 96 -9.652 -6.466 16.448 1.00 25.00 H new ATOM 0 HD21 ASN A 96 -7.762 -8.055 19.644 1.00 25.00 H new ATOM 0 HD22 ASN A 96 -8.191 -9.000 18.214 1.00 25.00 H new ATOM 1642 N PRO A 97 -13.300 -7.426 15.916 1.00 25.00 N ATOM 1643 CA PRO A 97 -14.006 -7.345 14.630 1.00 25.00 C ATOM 1644 C PRO A 97 -13.756 -6.054 13.853 1.00 25.00 C ATOM 1645 O PRO A 97 -13.942 -6.012 12.641 1.00 25.00 O ATOM 1646 CB PRO A 97 -15.477 -7.472 15.041 1.00 25.00 C ATOM 1647 CG PRO A 97 -15.521 -6.920 16.419 1.00 25.00 C ATOM 1648 CD PRO A 97 -14.247 -7.421 17.048 1.00 25.00 C ATOM 0 HA PRO A 97 -13.662 -8.115 13.939 1.00 25.00 H new ATOM 0 HB2 PRO A 97 -16.128 -6.914 14.368 1.00 25.00 H new ATOM 0 HB3 PRO A 97 -15.809 -8.510 15.017 1.00 25.00 H new ATOM 0 HG2 PRO A 97 -15.562 -5.831 16.412 1.00 25.00 H new ATOM 0 HG3 PRO A 97 -16.399 -7.269 16.962 1.00 25.00 H new ATOM 0 HD2 PRO A 97 -13.910 -6.768 17.853 1.00 25.00 H new ATOM 0 HD3 PRO A 97 -14.371 -8.416 17.475 1.00 25.00 H new ATOM 1656 N GLN A 98 -13.286 -5.015 14.535 1.00 25.00 N ATOM 1657 CA GLN A 98 -12.979 -3.754 13.874 1.00 25.00 C ATOM 1658 C GLN A 98 -11.845 -3.992 12.893 1.00 25.00 C ATOM 1659 O GLN A 98 -11.929 -3.642 11.717 1.00 25.00 O ATOM 1660 CB GLN A 98 -12.541 -2.697 14.902 1.00 25.00 C ATOM 1661 CG GLN A 98 -13.360 -1.411 14.884 1.00 25.00 C ATOM 1662 CD GLN A 98 -13.412 -0.762 13.517 1.00 25.00 C ATOM 1663 OE1 GLN A 98 -12.414 -0.664 12.835 1.00 25.00 O ATOM 1664 NE2 GLN A 98 -14.577 -0.321 13.120 1.00 25.00 N ATOM 0 H GLN A 98 -13.110 -5.022 15.540 1.00 25.00 H new ATOM 0 HA GLN A 98 -13.868 -3.391 13.358 1.00 25.00 H new ATOM 0 HB2 GLN A 98 -12.599 -3.134 15.899 1.00 25.00 H new ATOM 0 HB3 GLN A 98 -11.495 -2.448 14.723 1.00 25.00 H new ATOM 0 HG2 GLN A 98 -14.375 -1.629 15.216 1.00 25.00 H new ATOM 0 HG3 GLN A 98 -12.935 -0.706 15.599 1.00 25.00 H new ATOM 0 HE21 GLN A 98 -15.393 -0.422 13.723 1.00 25.00 H new ATOM 0 HE22 GLN A 98 -14.670 0.124 12.207 1.00 25.00 H new ATOM 1673 N VAL A 99 -10.780 -4.614 13.380 1.00 25.00 N ATOM 1674 CA VAL A 99 -9.626 -4.841 12.536 1.00 25.00 C ATOM 1675 C VAL A 99 -9.870 -6.015 11.601 1.00 25.00 C ATOM 1676 O VAL A 99 -9.342 -6.030 10.520 1.00 25.00 O ATOM 1677 CB VAL A 99 -8.306 -5.010 13.357 1.00 25.00 C ATOM 1678 CG1 VAL A 99 -8.128 -6.440 13.868 1.00 25.00 C ATOM 1679 CG2 VAL A 99 -7.099 -4.596 12.507 1.00 25.00 C ATOM 0 H VAL A 99 -10.695 -4.962 14.335 1.00 25.00 H new ATOM 0 HA VAL A 99 -9.486 -3.948 11.927 1.00 25.00 H new ATOM 0 HB VAL A 99 -8.376 -4.359 14.228 1.00 25.00 H new ATOM 0 HG11 VAL A 99 -7.198 -6.512 14.433 1.00 25.00 H new ATOM 0 HG12 VAL A 99 -8.966 -6.703 14.514 1.00 25.00 H new ATOM 0 HG13 VAL A 99 -8.093 -7.127 13.022 1.00 25.00 H new ATOM 0 HG21 VAL A 99 -6.185 -4.718 13.089 1.00 25.00 H new ATOM 0 HG22 VAL A 99 -7.049 -5.223 11.617 1.00 25.00 H new ATOM 0 HG23 VAL A 99 -7.204 -3.552 12.210 1.00 25.00 H new ATOM 1689 N MET A 100 -10.716 -6.966 11.976 1.00 25.00 N ATOM 1690 CA MET A 100 -11.026 -8.101 11.101 1.00 25.00 C ATOM 1691 C MET A 100 -11.650 -7.619 9.794 1.00 25.00 C ATOM 1692 O MET A 100 -11.274 -8.067 8.713 1.00 25.00 O ATOM 1693 CB MET A 100 -11.969 -9.072 11.816 1.00 25.00 C ATOM 1694 CG MET A 100 -12.273 -10.342 11.036 1.00 25.00 C ATOM 1695 SD MET A 100 -13.762 -10.160 10.030 1.00 25.00 S ATOM 1696 CE MET A 100 -13.241 -10.902 8.472 1.00 25.00 C ATOM 0 H MET A 100 -11.200 -6.979 12.874 1.00 25.00 H new ATOM 0 HA MET A 100 -10.098 -8.621 10.864 1.00 25.00 H new ATOM 0 HB2 MET A 100 -11.530 -9.346 12.775 1.00 25.00 H new ATOM 0 HB3 MET A 100 -12.906 -8.558 12.030 1.00 25.00 H new ATOM 0 HG2 MET A 100 -11.427 -10.588 10.394 1.00 25.00 H new ATOM 0 HG3 MET A 100 -12.400 -11.174 11.729 1.00 25.00 H new ATOM 0 HE1 MET A 100 -14.062 -10.859 7.756 1.00 25.00 H new ATOM 0 HE2 MET A 100 -12.385 -10.355 8.076 1.00 25.00 H new ATOM 0 HE3 MET A 100 -12.960 -11.942 8.640 1.00 25.00 H new ATOM 1706 N ALA A 101 -12.544 -6.646 9.884 1.00 25.00 N ATOM 1707 CA ALA A 101 -13.144 -6.063 8.691 1.00 25.00 C ATOM 1708 C ALA A 101 -12.086 -5.304 7.875 1.00 25.00 C ATOM 1709 O ALA A 101 -12.186 -5.191 6.660 1.00 25.00 O ATOM 1710 CB ALA A 101 -14.282 -5.131 9.097 1.00 25.00 C ATOM 0 H ALA A 101 -12.869 -6.245 10.764 1.00 25.00 H new ATOM 0 HA ALA A 101 -13.545 -6.860 8.065 1.00 25.00 H new ATOM 0 HB1 ALA A 101 -14.731 -4.695 8.205 1.00 25.00 H new ATOM 0 HB2 ALA A 101 -15.037 -5.696 9.644 1.00 25.00 H new ATOM 0 HB3 ALA A 101 -13.892 -4.336 9.733 1.00 25.00 H new ATOM 1716 N ALA A 102 -11.061 -4.801 8.550 1.00 25.00 N ATOM 1717 CA ALA A 102 -9.989 -4.079 7.885 1.00 25.00 C ATOM 1718 C ALA A 102 -9.048 -5.081 7.201 1.00 25.00 C ATOM 1719 O ALA A 102 -8.483 -4.781 6.164 1.00 25.00 O ATOM 1720 CB ALA A 102 -9.229 -3.203 8.902 1.00 25.00 C ATOM 0 H ALA A 102 -10.951 -4.881 9.561 1.00 25.00 H new ATOM 0 HA ALA A 102 -10.406 -3.420 7.124 1.00 25.00 H new ATOM 0 HB1 ALA A 102 -8.428 -2.667 8.393 1.00 25.00 H new ATOM 0 HB2 ALA A 102 -9.917 -2.487 9.351 1.00 25.00 H new ATOM 0 HB3 ALA A 102 -8.804 -3.836 9.681 1.00 25.00 H new ATOM 1726 N VAL A 103 -8.916 -6.281 7.757 1.00 25.00 N ATOM 1727 CA VAL A 103 -8.102 -7.336 7.138 1.00 25.00 C ATOM 1728 C VAL A 103 -8.738 -7.692 5.808 1.00 25.00 C ATOM 1729 O VAL A 103 -8.063 -7.727 4.783 1.00 25.00 O ATOM 1730 CB VAL A 103 -8.023 -8.632 8.023 1.00 25.00 C ATOM 1731 CG1 VAL A 103 -7.293 -9.756 7.288 1.00 25.00 C ATOM 1732 CG2 VAL A 103 -7.305 -8.346 9.350 1.00 25.00 C ATOM 0 H VAL A 103 -9.360 -6.553 8.634 1.00 25.00 H new ATOM 0 HA VAL A 103 -7.086 -6.960 7.020 1.00 25.00 H new ATOM 0 HB VAL A 103 -9.046 -8.947 8.229 1.00 25.00 H new ATOM 0 HG11 VAL A 103 -7.253 -10.641 7.924 1.00 25.00 H new ATOM 0 HG12 VAL A 103 -7.825 -9.995 6.367 1.00 25.00 H new ATOM 0 HG13 VAL A 103 -6.279 -9.435 7.048 1.00 25.00 H new ATOM 0 HG21 VAL A 103 -7.263 -9.258 9.945 1.00 25.00 H new ATOM 0 HG22 VAL A 103 -6.292 -7.998 9.148 1.00 25.00 H new ATOM 0 HG23 VAL A 103 -7.850 -7.579 9.900 1.00 25.00 H new ATOM 1742 N ALA A 104 -10.047 -7.908 5.827 1.00 25.00 N ATOM 1743 CA ALA A 104 -10.780 -8.255 4.616 1.00 25.00 C ATOM 1744 C ALA A 104 -10.668 -7.124 3.592 1.00 25.00 C ATOM 1745 O ALA A 104 -10.391 -7.359 2.423 1.00 25.00 O ATOM 1746 CB ALA A 104 -12.244 -8.535 4.961 1.00 25.00 C ATOM 0 H ALA A 104 -10.623 -7.849 6.667 1.00 25.00 H new ATOM 0 HA ALA A 104 -10.349 -9.155 4.178 1.00 25.00 H new ATOM 0 HB1 ALA A 104 -12.789 -8.794 4.053 1.00 25.00 H new ATOM 0 HB2 ALA A 104 -12.299 -9.364 5.666 1.00 25.00 H new ATOM 0 HB3 ALA A 104 -12.688 -7.647 5.410 1.00 25.00 H new ATOM 1752 N GLN A 105 -10.820 -5.888 4.049 1.00 25.00 N ATOM 1753 CA GLN A 105 -10.679 -4.748 3.154 1.00 25.00 C ATOM 1754 C GLN A 105 -9.279 -4.676 2.559 1.00 25.00 C ATOM 1755 O GLN A 105 -9.132 -4.391 1.386 1.00 25.00 O ATOM 1756 CB GLN A 105 -10.975 -3.434 3.877 1.00 25.00 C ATOM 1757 CG GLN A 105 -12.448 -3.060 3.878 1.00 25.00 C ATOM 1758 CD GLN A 105 -12.660 -1.608 4.241 1.00 25.00 C ATOM 1759 OE1 GLN A 105 -12.187 -0.717 3.557 1.00 25.00 O ATOM 1760 NE2 GLN A 105 -13.360 -1.364 5.315 1.00 25.00 N ATOM 0 H GLN A 105 -11.037 -5.651 5.017 1.00 25.00 H new ATOM 0 HA GLN A 105 -11.403 -4.891 2.352 1.00 25.00 H new ATOM 0 HB2 GLN A 105 -10.627 -3.509 4.907 1.00 25.00 H new ATOM 0 HB3 GLN A 105 -10.405 -2.633 3.406 1.00 25.00 H new ATOM 0 HG2 GLN A 105 -12.873 -3.254 2.893 1.00 25.00 H new ATOM 0 HG3 GLN A 105 -12.983 -3.693 4.586 1.00 25.00 H new ATOM 0 HE21 GLN A 105 -13.740 -2.136 5.862 1.00 25.00 H new ATOM 0 HE22 GLN A 105 -13.527 -0.401 5.607 1.00 25.00 H new ATOM 1769 N THR A 106 -8.249 -4.941 3.347 1.00 25.00 N ATOM 1770 CA THR A 106 -6.887 -4.855 2.831 1.00 25.00 C ATOM 1771 C THR A 106 -6.677 -5.952 1.788 1.00 25.00 C ATOM 1772 O THR A 106 -6.057 -5.718 0.763 1.00 25.00 O ATOM 1773 CB THR A 106 -5.827 -4.980 3.951 1.00 25.00 C ATOM 1774 OG1 THR A 106 -6.155 -4.112 5.032 1.00 25.00 O ATOM 1775 CG2 THR A 106 -4.455 -4.567 3.458 1.00 25.00 C ATOM 0 H THR A 106 -8.323 -5.212 4.327 1.00 25.00 H new ATOM 0 HA THR A 106 -6.760 -3.872 2.378 1.00 25.00 H new ATOM 0 HB THR A 106 -5.816 -6.023 4.266 1.00 25.00 H new ATOM 0 HG1 THR A 106 -6.801 -4.554 5.622 1.00 25.00 H new ATOM 0 HG21 THR A 106 -3.732 -4.666 4.268 1.00 25.00 H new ATOM 0 HG22 THR A 106 -4.159 -5.208 2.627 1.00 25.00 H new ATOM 0 HG23 THR A 106 -4.485 -3.530 3.124 1.00 25.00 H new ATOM 1783 N GLU A 107 -7.243 -7.131 2.014 1.00 25.00 N ATOM 1784 CA GLU A 107 -7.136 -8.217 1.039 1.00 25.00 C ATOM 1785 C GLU A 107 -7.792 -7.820 -0.286 1.00 25.00 C ATOM 1786 O GLU A 107 -7.268 -8.127 -1.357 1.00 25.00 O ATOM 1787 CB GLU A 107 -7.800 -9.497 1.566 1.00 25.00 C ATOM 1788 CG GLU A 107 -6.974 -10.246 2.594 1.00 25.00 C ATOM 1789 CD GLU A 107 -7.572 -11.605 2.943 1.00 25.00 C ATOM 1790 OE1 GLU A 107 -8.804 -11.763 2.866 1.00 25.00 O ATOM 1791 OE2 GLU A 107 -6.789 -12.526 3.274 1.00 25.00 O ATOM 0 H GLU A 107 -7.776 -7.362 2.853 1.00 25.00 H new ATOM 0 HA GLU A 107 -6.075 -8.407 0.875 1.00 25.00 H new ATOM 0 HB2 GLU A 107 -8.762 -9.239 2.008 1.00 25.00 H new ATOM 0 HB3 GLU A 107 -8.003 -10.161 0.725 1.00 25.00 H new ATOM 0 HG2 GLU A 107 -5.963 -10.385 2.212 1.00 25.00 H new ATOM 0 HG3 GLU A 107 -6.893 -9.644 3.499 1.00 25.00 H new ATOM 1798 N GLU A 108 -8.927 -7.139 -0.224 1.00 25.00 N ATOM 1799 CA GLU A 108 -9.620 -6.694 -1.437 1.00 25.00 C ATOM 1800 C GLU A 108 -8.865 -5.560 -2.131 1.00 25.00 C ATOM 1801 O GLU A 108 -8.740 -5.548 -3.354 1.00 25.00 O ATOM 1802 CB GLU A 108 -11.035 -6.217 -1.099 1.00 25.00 C ATOM 1803 CG GLU A 108 -11.977 -7.341 -0.691 1.00 25.00 C ATOM 1804 CD GLU A 108 -13.380 -6.828 -0.399 1.00 25.00 C ATOM 1805 OE1 GLU A 108 -14.021 -6.290 -1.328 1.00 25.00 O ATOM 1806 OE2 GLU A 108 -13.837 -6.953 0.758 1.00 25.00 O ATOM 0 H GLU A 108 -9.391 -6.880 0.647 1.00 25.00 H new ATOM 0 HA GLU A 108 -9.668 -7.547 -2.113 1.00 25.00 H new ATOM 0 HB2 GLU A 108 -10.980 -5.489 -0.290 1.00 25.00 H new ATOM 0 HB3 GLU A 108 -11.452 -5.701 -1.964 1.00 25.00 H new ATOM 0 HG2 GLU A 108 -12.021 -8.085 -1.487 1.00 25.00 H new ATOM 0 HG3 GLU A 108 -11.583 -7.842 0.193 1.00 25.00 H new ATOM 1813 N ILE A 109 -8.340 -4.621 -1.356 1.00 25.00 N ATOM 1814 CA ILE A 109 -7.594 -3.486 -1.909 1.00 25.00 C ATOM 1815 C ILE A 109 -6.334 -3.998 -2.599 1.00 25.00 C ATOM 1816 O ILE A 109 -5.989 -3.532 -3.676 1.00 25.00 O ATOM 1817 CB ILE A 109 -7.243 -2.441 -0.800 1.00 25.00 C ATOM 1818 CG1 ILE A 109 -8.538 -1.758 -0.310 1.00 25.00 C ATOM 1819 CG2 ILE A 109 -6.262 -1.357 -1.333 1.00 25.00 C ATOM 1820 CD1 ILE A 109 -8.424 -1.100 1.064 1.00 25.00 C ATOM 0 H ILE A 109 -8.414 -4.618 -0.339 1.00 25.00 H new ATOM 0 HA ILE A 109 -8.220 -2.976 -2.641 1.00 25.00 H new ATOM 0 HB ILE A 109 -6.758 -2.968 0.022 1.00 25.00 H new ATOM 0 HG12 ILE A 109 -8.833 -1.002 -1.038 1.00 25.00 H new ATOM 0 HG13 ILE A 109 -9.336 -2.500 -0.279 1.00 25.00 H new ATOM 0 HG21 ILE A 109 -6.038 -0.646 -0.538 1.00 25.00 H new ATOM 0 HG22 ILE A 109 -5.339 -1.833 -1.665 1.00 25.00 H new ATOM 0 HG23 ILE A 109 -6.721 -0.832 -2.171 1.00 25.00 H new ATOM 0 HD11 ILE A 109 -9.378 -0.645 1.330 1.00 25.00 H new ATOM 0 HD12 ILE A 109 -8.161 -1.853 1.807 1.00 25.00 H new ATOM 0 HD13 ILE A 109 -7.651 -0.332 1.037 1.00 25.00 H new ATOM 1832 N LEU A 110 -5.696 -5.014 -2.033 1.00 25.00 N ATOM 1833 CA LEU A 110 -4.515 -5.619 -2.655 1.00 25.00 C ATOM 1834 C LEU A 110 -4.851 -6.214 -4.017 1.00 25.00 C ATOM 1835 O LEU A 110 -4.056 -6.132 -4.946 1.00 25.00 O ATOM 1836 CB LEU A 110 -3.943 -6.712 -1.751 1.00 25.00 C ATOM 1837 CG LEU A 110 -2.727 -6.314 -0.897 1.00 25.00 C ATOM 1838 CD1 LEU A 110 -2.882 -4.972 -0.174 1.00 25.00 C ATOM 1839 CD2 LEU A 110 -2.473 -7.427 0.120 1.00 25.00 C ATOM 0 H LEU A 110 -5.971 -5.439 -1.147 1.00 25.00 H new ATOM 0 HA LEU A 110 -3.774 -4.832 -2.793 1.00 25.00 H new ATOM 0 HB2 LEU A 110 -4.734 -7.055 -1.084 1.00 25.00 H new ATOM 0 HB3 LEU A 110 -3.662 -7.561 -2.374 1.00 25.00 H new ATOM 0 HG LEU A 110 -1.883 -6.185 -1.574 1.00 25.00 H new ATOM 0 HD11 LEU A 110 -1.982 -4.765 0.406 1.00 25.00 H new ATOM 0 HD12 LEU A 110 -3.032 -4.179 -0.907 1.00 25.00 H new ATOM 0 HD13 LEU A 110 -3.742 -5.016 0.494 1.00 25.00 H new ATOM 0 HD21 LEU A 110 -1.614 -7.166 0.738 1.00 25.00 H new ATOM 0 HD22 LEU A 110 -3.352 -7.549 0.753 1.00 25.00 H new ATOM 0 HD23 LEU A 110 -2.272 -8.361 -0.405 1.00 25.00 H new ATOM 1851 N LYS A 111 -6.038 -6.783 -4.155 1.00 25.00 N ATOM 1852 CA LYS A 111 -6.464 -7.332 -5.441 1.00 25.00 C ATOM 1853 C LYS A 111 -6.847 -6.231 -6.428 1.00 25.00 C ATOM 1854 O LYS A 111 -6.812 -6.434 -7.636 1.00 25.00 O ATOM 1855 CB LYS A 111 -7.621 -8.281 -5.224 1.00 25.00 C ATOM 1856 CG LYS A 111 -7.195 -9.499 -4.441 1.00 25.00 C ATOM 1857 CD LYS A 111 -8.391 -10.265 -4.025 1.00 25.00 C ATOM 1858 CE LYS A 111 -8.005 -11.416 -3.109 1.00 25.00 C ATOM 1859 NZ LYS A 111 -7.908 -10.947 -1.698 1.00 25.00 N ATOM 0 H LYS A 111 -6.721 -6.878 -3.403 1.00 25.00 H new ATOM 0 HA LYS A 111 -5.625 -7.875 -5.877 1.00 25.00 H new ATOM 0 HB2 LYS A 111 -8.421 -7.766 -4.692 1.00 25.00 H new ATOM 0 HB3 LYS A 111 -8.026 -8.590 -6.188 1.00 25.00 H new ATOM 0 HG2 LYS A 111 -6.543 -10.125 -5.050 1.00 25.00 H new ATOM 0 HG3 LYS A 111 -6.621 -9.198 -3.565 1.00 25.00 H new ATOM 0 HD2 LYS A 111 -9.090 -9.605 -3.512 1.00 25.00 H new ATOM 0 HD3 LYS A 111 -8.905 -10.652 -4.905 1.00 25.00 H new ATOM 0 HE2 LYS A 111 -8.745 -12.213 -3.184 1.00 25.00 H new ATOM 0 HE3 LYS A 111 -7.051 -11.837 -3.426 1.00 25.00 H new ATOM 0 HZ1 LYS A 111 -7.122 -11.435 -1.223 1.00 25.00 H new ATOM 0 HZ2 LYS A 111 -7.738 -9.921 -1.684 1.00 25.00 H new ATOM 0 HZ3 LYS A 111 -8.797 -11.157 -1.200 1.00 25.00 H new