USER MOD reduce.3.24.130724 H: found=0, std=0, add=908, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 906 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 72 HIS : no HD1:sc= -5.13! C(o=-5.1!,f=-5!) USER MOD Set 1.2: A 98 GLN : amide:sc= 0 X(o=-5.1,f=-5) USER MOD Set 2.1: A 42 LYS NZ :NH3+ 165:sc=-0.00441 (180deg=-0.127) USER MOD Set 2.2: A 50 LYS NZ :NH3+ 164:sc=-0.00935 (180deg=-0.209) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 14:sc= 0.215! USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot -60:sc= 1.05 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.0821 K(o=-0.082,f=-0.92) USER MOD Single : A 18 ASN : amide:sc= -2.29! C(o=-2.3!,f=-5.3!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot -17:sc= 1.15 USER MOD Single : A 37 SER OG : rot -159:sc= 0.00255 USER MOD Single : A 39 SER OG : rot 14:sc= -1.51 USER MOD Single : A 41 TYR OH : rot 150:sc= -0.276 USER MOD Single : A 47 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.144) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 166:sc= -0.0114 (180deg=-0.173) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 178:sc= 0 (180deg=-0.00338) USER MOD Single : A 69 SER OG : rot 12:sc= 1.19 USER MOD Single : A 70 ASN : amide:sc= -3.3! C(o=-3.3!,f=-7.2!) USER MOD Single : A 71 LYS NZ :NH3+ -152:sc= -0.151 (180deg=-0.9) USER MOD Single : A 78 ASN : amide:sc= -1.52 K(o=-1.5,f=-12!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 83 ASN : amide:sc= -1.18 K(o=-1.2,f=-0.43!) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.545) USER MOD Single : A 90 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 95 CYS SG : rot 180:sc= -2.29! USER MOD Single : A 97 SER OG : rot 28:sc= 0.0834 USER MOD Single : A 103 SER OG : rot 150:sc= 0.239 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 SER OG : rot 84:sc= 0.786 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 25.957 5.079 0.838 1.00 0.00 N ATOM 2 CA GLY A 1 26.651 5.541 -0.350 1.00 0.00 C ATOM 3 C GLY A 1 26.352 6.993 -0.668 1.00 0.00 C ATOM 4 O GLY A 1 27.267 7.803 -0.816 1.00 0.00 O ATOM 0 H1 GLY A 1 26.194 4.082 1.013 1.00 0.00 H new ATOM 0 H2 GLY A 1 26.248 5.652 1.655 1.00 0.00 H new ATOM 0 H3 GLY A 1 24.931 5.171 0.698 1.00 0.00 H new ATOM 0 HA2 GLY A 1 27.725 5.416 -0.211 1.00 0.00 H new ATOM 0 HA3 GLY A 1 26.365 4.920 -1.199 1.00 0.00 H new ATOM 8 N SER A 2 25.069 7.321 -0.776 1.00 0.00 N ATOM 9 CA SER A 2 24.652 8.684 -1.085 1.00 0.00 C ATOM 10 C SER A 2 23.424 9.075 -0.268 1.00 0.00 C ATOM 11 O SER A 2 22.437 8.341 -0.222 1.00 0.00 O ATOM 12 CB SER A 2 24.351 8.822 -2.578 1.00 0.00 C ATOM 13 OG SER A 2 23.080 8.283 -2.894 1.00 0.00 O ATOM 0 H SER A 2 24.300 6.662 -0.654 1.00 0.00 H new ATOM 0 HA SER A 2 25.470 9.356 -0.823 1.00 0.00 H new ATOM 0 HB2 SER A 2 24.385 9.873 -2.863 1.00 0.00 H new ATOM 0 HB3 SER A 2 25.120 8.310 -3.156 1.00 0.00 H new ATOM 0 HG SER A 2 22.570 8.141 -2.069 1.00 0.00 H new ATOM 19 N SER A 3 23.493 10.237 0.374 1.00 0.00 N ATOM 20 CA SER A 3 22.389 10.725 1.192 1.00 0.00 C ATOM 21 C SER A 3 21.795 11.998 0.599 1.00 0.00 C ATOM 22 O SER A 3 22.394 12.630 -0.270 1.00 0.00 O ATOM 23 CB SER A 3 22.864 10.988 2.623 1.00 0.00 C ATOM 24 OG SER A 3 23.898 11.957 2.646 1.00 0.00 O ATOM 0 H SER A 3 24.302 10.858 0.343 1.00 0.00 H new ATOM 0 HA SER A 3 21.615 9.958 1.209 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.026 11.331 3.231 1.00 0.00 H new ATOM 0 HB3 SER A 3 23.221 10.059 3.068 1.00 0.00 H new ATOM 0 HG SER A 3 24.183 12.109 3.571 1.00 0.00 H new ATOM 30 N GLY A 4 20.610 12.369 1.076 1.00 0.00 N ATOM 31 CA GLY A 4 19.953 13.565 0.582 1.00 0.00 C ATOM 32 C GLY A 4 18.883 14.072 1.528 1.00 0.00 C ATOM 33 O GLY A 4 19.070 14.071 2.745 1.00 0.00 O ATOM 0 H GLY A 4 20.094 11.863 1.795 1.00 0.00 H new ATOM 0 HA2 GLY A 4 20.697 14.347 0.427 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.505 13.355 -0.389 1.00 0.00 H new ATOM 37 N SER A 5 17.759 14.507 0.969 1.00 0.00 N ATOM 38 CA SER A 5 16.656 15.024 1.771 1.00 0.00 C ATOM 39 C SER A 5 15.532 13.998 1.876 1.00 0.00 C ATOM 40 O SER A 5 14.760 13.809 0.937 1.00 0.00 O ATOM 41 CB SER A 5 16.122 16.323 1.165 1.00 0.00 C ATOM 42 OG SER A 5 15.460 17.108 2.142 1.00 0.00 O ATOM 0 H SER A 5 17.588 14.512 -0.036 1.00 0.00 H new ATOM 0 HA SER A 5 17.033 15.227 2.773 1.00 0.00 H new ATOM 0 HB2 SER A 5 16.946 16.892 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 5 15.434 16.092 0.352 1.00 0.00 H new ATOM 0 HG SER A 5 15.130 17.933 1.730 1.00 0.00 H new ATOM 48 N SER A 6 15.448 13.338 3.027 1.00 0.00 N ATOM 49 CA SER A 6 14.422 12.327 3.255 1.00 0.00 C ATOM 50 C SER A 6 13.194 12.941 3.920 1.00 0.00 C ATOM 51 O SER A 6 13.073 12.943 5.144 1.00 0.00 O ATOM 52 CB SER A 6 14.974 11.195 4.123 1.00 0.00 C ATOM 53 OG SER A 6 15.634 10.222 3.333 1.00 0.00 O ATOM 0 H SER A 6 16.078 13.485 3.816 1.00 0.00 H new ATOM 0 HA SER A 6 14.126 11.921 2.288 1.00 0.00 H new ATOM 0 HB2 SER A 6 15.668 11.602 4.859 1.00 0.00 H new ATOM 0 HB3 SER A 6 14.160 10.727 4.677 1.00 0.00 H new ATOM 0 HG SER A 6 15.002 9.840 2.689 1.00 0.00 H new ATOM 59 N GLY A 7 12.284 13.462 3.103 1.00 0.00 N ATOM 60 CA GLY A 7 11.076 14.072 3.629 1.00 0.00 C ATOM 61 C GLY A 7 9.866 13.169 3.499 1.00 0.00 C ATOM 62 O GLY A 7 9.448 12.835 2.390 1.00 0.00 O ATOM 0 H GLY A 7 12.361 13.473 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.227 14.323 4.679 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.886 15.007 3.102 1.00 0.00 H new ATOM 66 N VAL A 8 9.302 12.770 4.635 1.00 0.00 N ATOM 67 CA VAL A 8 8.133 11.899 4.643 1.00 0.00 C ATOM 68 C VAL A 8 6.901 12.628 4.120 1.00 0.00 C ATOM 69 O VAL A 8 6.697 13.808 4.408 1.00 0.00 O ATOM 70 CB VAL A 8 7.840 11.368 6.059 1.00 0.00 C ATOM 71 CG1 VAL A 8 7.337 12.488 6.956 1.00 0.00 C ATOM 72 CG2 VAL A 8 6.834 10.228 6.001 1.00 0.00 C ATOM 0 H VAL A 8 9.636 13.036 5.561 1.00 0.00 H new ATOM 0 HA VAL A 8 8.359 11.058 3.987 1.00 0.00 H new ATOM 0 HB VAL A 8 8.767 10.984 6.484 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.135 12.094 7.952 1.00 0.00 H new ATOM 0 HG12 VAL A 8 8.094 13.270 7.021 1.00 0.00 H new ATOM 0 HG13 VAL A 8 6.420 12.905 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 8 6.638 9.864 7.010 1.00 0.00 H new ATOM 0 HG22 VAL A 8 5.905 10.585 5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.238 9.417 5.395 1.00 0.00 H new ATOM 82 N ILE A 9 6.082 11.919 3.351 1.00 0.00 N ATOM 83 CA ILE A 9 4.868 12.498 2.789 1.00 0.00 C ATOM 84 C ILE A 9 3.625 11.939 3.472 1.00 0.00 C ATOM 85 O ILE A 9 2.581 12.590 3.514 1.00 0.00 O ATOM 86 CB ILE A 9 4.769 12.238 1.275 1.00 0.00 C ATOM 87 CG1 ILE A 9 6.108 12.536 0.596 1.00 0.00 C ATOM 88 CG2 ILE A 9 3.660 13.081 0.664 1.00 0.00 C ATOM 89 CD1 ILE A 9 6.220 11.959 -0.798 1.00 0.00 C ATOM 0 H ILE A 9 6.237 10.942 3.103 1.00 0.00 H new ATOM 0 HA ILE A 9 4.922 13.573 2.962 1.00 0.00 H new ATOM 0 HB ILE A 9 4.528 11.187 1.117 1.00 0.00 H new ATOM 0 HG12 ILE A 9 6.248 13.616 0.546 1.00 0.00 H new ATOM 0 HG13 ILE A 9 6.915 12.138 1.211 1.00 0.00 H new ATOM 0 HG21 ILE A 9 3.603 12.886 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.709 12.825 1.131 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.873 14.137 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 9 7.194 12.209 -1.218 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.112 10.875 -0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 9 5.435 12.376 -1.429 1.00 0.00 H new ATOM 101 N ARG A 10 3.745 10.728 4.007 1.00 0.00 N ATOM 102 CA ARG A 10 2.630 10.081 4.689 1.00 0.00 C ATOM 103 C ARG A 10 3.074 8.770 5.333 1.00 0.00 C ATOM 104 O ARG A 10 3.903 8.046 4.782 1.00 0.00 O ATOM 105 CB ARG A 10 1.487 9.817 3.707 1.00 0.00 C ATOM 106 CG ARG A 10 0.212 9.330 4.374 1.00 0.00 C ATOM 107 CD ARG A 10 -0.689 10.490 4.767 1.00 0.00 C ATOM 108 NE ARG A 10 -0.317 11.058 6.060 1.00 0.00 N ATOM 109 CZ ARG A 10 -0.746 12.237 6.495 1.00 0.00 C ATOM 110 NH1 ARG A 10 -1.560 12.968 5.746 1.00 0.00 N ATOM 111 NH2 ARG A 10 -0.363 12.687 7.683 1.00 0.00 N ATOM 0 H ARG A 10 4.602 10.176 3.981 1.00 0.00 H new ATOM 0 HA ARG A 10 2.278 10.751 5.473 1.00 0.00 H new ATOM 0 HB2 ARG A 10 1.272 10.734 3.158 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.811 9.076 2.976 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -0.324 8.665 3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.463 8.747 5.260 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -0.637 11.265 4.002 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.724 10.149 4.805 1.00 0.00 H new ATOM 0 HE ARG A 10 0.306 10.520 6.662 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -1.858 12.625 4.833 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -1.888 13.873 6.083 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.262 12.127 8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -0.693 13.593 8.016 1.00 0.00 H new ATOM 125 N ARG A 11 2.518 8.474 6.503 1.00 0.00 N ATOM 126 CA ARG A 11 2.858 7.252 7.223 1.00 0.00 C ATOM 127 C ARG A 11 1.836 6.965 8.319 1.00 0.00 C ATOM 128 O ARG A 11 1.434 7.863 9.058 1.00 0.00 O ATOM 129 CB ARG A 11 4.257 7.367 7.832 1.00 0.00 C ATOM 130 CG ARG A 11 4.605 8.770 8.298 1.00 0.00 C ATOM 131 CD ARG A 11 5.665 8.748 9.389 1.00 0.00 C ATOM 132 NE ARG A 11 6.327 10.041 9.535 1.00 0.00 N ATOM 133 CZ ARG A 11 7.119 10.350 10.556 1.00 0.00 C ATOM 134 NH1 ARG A 11 7.347 9.463 11.514 1.00 0.00 N ATOM 135 NH2 ARG A 11 7.686 11.548 10.619 1.00 0.00 N ATOM 0 H ARG A 11 1.830 9.063 6.973 1.00 0.00 H new ATOM 0 HA ARG A 11 2.845 6.425 6.513 1.00 0.00 H new ATOM 0 HB2 ARG A 11 4.333 6.683 8.677 1.00 0.00 H new ATOM 0 HB3 ARG A 11 4.992 7.045 7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 11 4.964 9.357 7.452 1.00 0.00 H new ATOM 0 HG3 ARG A 11 3.708 9.264 8.671 1.00 0.00 H new ATOM 0 HD2 ARG A 11 5.204 8.468 10.336 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.408 7.985 9.157 1.00 0.00 H new ATOM 0 HE ARG A 11 6.173 10.746 8.814 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.914 8.541 11.469 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.955 9.703 12.297 1.00 0.00 H new ATOM 0 HH21 ARG A 11 7.514 12.233 9.883 1.00 0.00 H new ATOM 0 HH22 ARG A 11 8.294 11.784 11.403 1.00 0.00 H new ATOM 149 N GLY A 12 1.419 5.707 8.418 1.00 0.00 N ATOM 150 CA GLY A 12 0.448 5.324 9.426 1.00 0.00 C ATOM 151 C GLY A 12 0.334 3.820 9.580 1.00 0.00 C ATOM 152 O GLY A 12 1.155 3.072 9.051 1.00 0.00 O ATOM 0 H GLY A 12 1.736 4.946 7.818 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.730 5.764 10.383 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.527 5.734 9.161 1.00 0.00 H new ATOM 156 N TRP A 13 -0.686 3.377 10.306 1.00 0.00 N ATOM 157 CA TRP A 13 -0.903 1.952 10.529 1.00 0.00 C ATOM 158 C TRP A 13 -2.001 1.419 9.615 1.00 0.00 C ATOM 159 O TRP A 13 -3.181 1.713 9.809 1.00 0.00 O ATOM 160 CB TRP A 13 -1.270 1.694 11.992 1.00 0.00 C ATOM 161 CG TRP A 13 -0.156 2.000 12.947 1.00 0.00 C ATOM 162 CD1 TRP A 13 0.178 3.225 13.451 1.00 0.00 C ATOM 163 CD2 TRP A 13 0.771 1.065 13.510 1.00 0.00 C ATOM 164 NE1 TRP A 13 1.257 3.107 14.294 1.00 0.00 N ATOM 165 CE2 TRP A 13 1.639 1.793 14.348 1.00 0.00 C ATOM 166 CE3 TRP A 13 0.951 -0.315 13.390 1.00 0.00 C ATOM 167 CZ2 TRP A 13 2.670 1.185 15.059 1.00 0.00 C ATOM 168 CZ3 TRP A 13 1.975 -0.917 14.096 1.00 0.00 C ATOM 169 CH2 TRP A 13 2.823 -0.168 14.922 1.00 0.00 C ATOM 0 H TRP A 13 -1.376 3.983 10.750 1.00 0.00 H new ATOM 0 HA TRP A 13 0.024 1.428 10.296 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -2.139 2.298 12.253 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -1.561 0.650 12.107 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -0.331 4.150 13.221 1.00 0.00 H new ATOM 0 HE1 TRP A 13 1.702 3.874 14.798 1.00 0.00 H new ATOM 0 HE3 TRP A 13 0.301 -0.901 12.757 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 3.326 1.760 15.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 2.124 -1.983 14.010 1.00 0.00 H new ATOM 0 HH2 TRP A 13 3.613 -0.668 15.462 1.00 0.00 H new ATOM 180 N LEU A 14 -1.605 0.635 8.619 1.00 0.00 N ATOM 181 CA LEU A 14 -2.557 0.060 7.674 1.00 0.00 C ATOM 182 C LEU A 14 -2.673 -1.449 7.868 1.00 0.00 C ATOM 183 O LEU A 14 -2.014 -2.028 8.733 1.00 0.00 O ATOM 184 CB LEU A 14 -2.130 0.369 6.238 1.00 0.00 C ATOM 185 CG LEU A 14 -2.578 1.721 5.681 1.00 0.00 C ATOM 186 CD1 LEU A 14 -1.861 2.024 4.375 1.00 0.00 C ATOM 187 CD2 LEU A 14 -4.087 1.742 5.481 1.00 0.00 C ATOM 0 H LEU A 14 -0.632 0.383 8.444 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.533 0.508 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.042 0.319 6.185 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.517 -0.416 5.588 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.317 2.495 6.403 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.192 2.990 3.994 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.785 2.052 4.549 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.091 1.248 3.645 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.388 2.712 5.084 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.372 0.958 4.779 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.583 1.571 6.436 1.00 0.00 H new ATOM 199 N THR A 15 -3.514 -2.082 7.056 1.00 0.00 N ATOM 200 CA THR A 15 -3.716 -3.523 7.137 1.00 0.00 C ATOM 201 C THR A 15 -3.847 -4.139 5.749 1.00 0.00 C ATOM 202 O THR A 15 -4.762 -3.805 4.996 1.00 0.00 O ATOM 203 CB THR A 15 -4.971 -3.869 7.961 1.00 0.00 C ATOM 204 OG1 THR A 15 -4.794 -3.456 9.320 1.00 0.00 O ATOM 205 CG2 THR A 15 -5.255 -5.362 7.912 1.00 0.00 C ATOM 0 H THR A 15 -4.066 -1.619 6.334 1.00 0.00 H new ATOM 0 HA THR A 15 -2.839 -3.938 7.634 1.00 0.00 H new ATOM 0 HB THR A 15 -5.820 -3.339 7.529 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.597 -3.678 9.837 1.00 0.00 H new ATOM 0 HG21 THR A 15 -6.145 -5.583 8.501 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.418 -5.668 6.879 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.405 -5.908 8.322 1.00 0.00 H new ATOM 213 N ILE A 16 -2.928 -5.039 5.417 1.00 0.00 N ATOM 214 CA ILE A 16 -2.942 -5.702 4.119 1.00 0.00 C ATOM 215 C ILE A 16 -4.112 -6.676 4.013 1.00 0.00 C ATOM 216 O ILE A 16 -4.141 -7.702 4.690 1.00 0.00 O ATOM 217 CB ILE A 16 -1.629 -6.465 3.862 1.00 0.00 C ATOM 218 CG1 ILE A 16 -0.440 -5.504 3.903 1.00 0.00 C ATOM 219 CG2 ILE A 16 -1.689 -7.186 2.523 1.00 0.00 C ATOM 220 CD1 ILE A 16 0.897 -6.202 4.023 1.00 0.00 C ATOM 0 H ILE A 16 -2.164 -5.326 6.029 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.052 -4.921 3.366 1.00 0.00 H new ATOM 0 HB ILE A 16 -1.498 -7.209 4.648 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -0.443 -4.896 2.998 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.562 -4.823 4.745 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.754 -7.721 2.355 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.517 -7.895 2.528 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.839 -6.459 1.725 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.694 -5.459 4.046 1.00 0.00 H new ATOM 0 HD12 ILE A 16 0.920 -6.788 4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 16 1.041 -6.862 3.168 1.00 0.00 H new ATOM 232 N ASN A 17 -5.073 -6.346 3.156 1.00 0.00 N ATOM 233 CA ASN A 17 -6.245 -7.192 2.960 1.00 0.00 C ATOM 234 C ASN A 17 -5.853 -8.528 2.337 1.00 0.00 C ATOM 235 O ASN A 17 -6.097 -9.588 2.912 1.00 0.00 O ATOM 236 CB ASN A 17 -7.268 -6.483 2.070 1.00 0.00 C ATOM 237 CG ASN A 17 -8.690 -6.920 2.363 1.00 0.00 C ATOM 238 OD1 ASN A 17 -8.924 -8.032 2.836 1.00 0.00 O ATOM 239 ND2 ASN A 17 -9.648 -6.045 2.081 1.00 0.00 N ATOM 0 H ASN A 17 -5.063 -5.500 2.587 1.00 0.00 H new ATOM 0 HA ASN A 17 -6.692 -7.383 3.936 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -7.185 -5.406 2.213 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -7.037 -6.684 1.024 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -10.624 -6.284 2.256 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -9.408 -5.134 1.690 1.00 0.00 H new ATOM 246 N ASN A 18 -5.242 -8.469 1.158 1.00 0.00 N ATOM 247 CA ASN A 18 -4.816 -9.675 0.457 1.00 0.00 C ATOM 248 C ASN A 18 -4.301 -10.722 1.439 1.00 0.00 C ATOM 249 O ASN A 18 -4.964 -11.728 1.693 1.00 0.00 O ATOM 250 CB ASN A 18 -3.727 -9.338 -0.564 1.00 0.00 C ATOM 251 CG ASN A 18 -4.299 -8.973 -1.920 1.00 0.00 C ATOM 252 OD1 ASN A 18 -5.472 -9.222 -2.199 1.00 0.00 O ATOM 253 ND2 ASN A 18 -3.471 -8.378 -2.771 1.00 0.00 N ATOM 0 H ASN A 18 -5.031 -7.600 0.668 1.00 0.00 H new ATOM 0 HA ASN A 18 -5.680 -10.086 -0.065 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.127 -8.508 -0.191 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -3.058 -10.192 -0.673 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -3.800 -8.108 -3.698 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -2.506 -8.191 -2.497 1.00 0.00 H new ATOM 260 N ILE A 19 -3.116 -10.478 1.988 1.00 0.00 N ATOM 261 CA ILE A 19 -2.513 -11.399 2.944 1.00 0.00 C ATOM 262 C ILE A 19 -3.540 -11.887 3.960 1.00 0.00 C ATOM 263 O ILE A 19 -4.534 -11.211 4.227 1.00 0.00 O ATOM 264 CB ILE A 19 -1.338 -10.744 3.693 1.00 0.00 C ATOM 265 CG1 ILE A 19 -0.444 -11.815 4.321 1.00 0.00 C ATOM 266 CG2 ILE A 19 -1.856 -9.787 4.757 1.00 0.00 C ATOM 267 CD1 ILE A 19 0.815 -11.259 4.949 1.00 0.00 C ATOM 0 H ILE A 19 -2.554 -9.651 1.787 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.140 -12.248 2.371 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.743 -10.175 2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.013 -12.352 5.080 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.169 -12.541 3.556 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.014 -9.332 5.278 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.455 -9.008 4.285 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.471 -10.335 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.400 -12.074 5.374 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.405 -10.747 4.189 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.548 -10.555 5.737 1.00 0.00 H new ATOM 279 N SER A 20 -3.293 -13.065 4.525 1.00 0.00 N ATOM 280 CA SER A 20 -4.197 -13.645 5.510 1.00 0.00 C ATOM 281 C SER A 20 -3.417 -14.257 6.670 1.00 0.00 C ATOM 282 O SER A 20 -2.375 -14.883 6.470 1.00 0.00 O ATOM 283 CB SER A 20 -5.082 -14.709 4.858 1.00 0.00 C ATOM 284 OG SER A 20 -6.142 -15.088 5.719 1.00 0.00 O ATOM 0 H SER A 20 -2.474 -13.636 4.317 1.00 0.00 H new ATOM 0 HA SER A 20 -4.829 -12.847 5.901 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.489 -14.325 3.923 1.00 0.00 H new ATOM 0 HB3 SER A 20 -4.481 -15.584 4.609 1.00 0.00 H new ATOM 0 HG SER A 20 -6.694 -15.768 5.279 1.00 0.00 H new ATOM 290 N LEU A 21 -3.928 -14.071 7.882 1.00 0.00 N ATOM 291 CA LEU A 21 -3.280 -14.604 9.075 1.00 0.00 C ATOM 292 C LEU A 21 -3.455 -16.117 9.160 1.00 0.00 C ATOM 293 O LEU A 21 -4.549 -16.638 8.944 1.00 0.00 O ATOM 294 CB LEU A 21 -3.853 -13.942 10.329 1.00 0.00 C ATOM 295 CG LEU A 21 -5.326 -14.226 10.625 1.00 0.00 C ATOM 296 CD1 LEU A 21 -5.631 -13.984 12.095 1.00 0.00 C ATOM 297 CD2 LEU A 21 -6.222 -13.368 9.744 1.00 0.00 C ATOM 0 H LEU A 21 -4.789 -13.555 8.064 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.215 -14.383 9.009 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.262 -14.263 11.187 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.723 -12.864 10.238 1.00 0.00 H new ATOM 0 HG LEU A 21 -5.527 -15.274 10.401 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -6.684 -14.191 12.287 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.014 -14.642 12.708 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.414 -12.946 12.345 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -7.267 -13.583 9.968 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.019 -12.314 9.936 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -6.023 -13.591 8.696 1.00 0.00 H new ATOM 309 N MET A 22 -2.371 -16.817 9.477 1.00 0.00 N ATOM 310 CA MET A 22 -2.406 -18.270 9.594 1.00 0.00 C ATOM 311 C MET A 22 -2.225 -18.703 11.045 1.00 0.00 C ATOM 312 O MET A 22 -1.120 -19.040 11.471 1.00 0.00 O ATOM 313 CB MET A 22 -1.317 -18.899 8.722 1.00 0.00 C ATOM 314 CG MET A 22 -1.743 -19.113 7.279 1.00 0.00 C ATOM 315 SD MET A 22 -0.343 -19.170 6.143 1.00 0.00 S ATOM 316 CE MET A 22 -1.173 -18.952 4.572 1.00 0.00 C ATOM 0 H MET A 22 -1.457 -16.401 9.658 1.00 0.00 H new ATOM 0 HA MET A 22 -3.381 -18.614 9.250 1.00 0.00 H new ATOM 0 HB2 MET A 22 -0.434 -18.260 8.741 1.00 0.00 H new ATOM 0 HB3 MET A 22 -1.027 -19.857 9.153 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.305 -20.044 7.204 1.00 0.00 H new ATOM 0 HG3 MET A 22 -2.416 -18.310 6.980 1.00 0.00 H new ATOM 0 HE1 MET A 22 -0.438 -18.965 3.767 1.00 0.00 H new ATOM 0 HE2 MET A 22 -1.888 -19.761 4.423 1.00 0.00 H new ATOM 0 HE3 MET A 22 -1.699 -17.997 4.568 1.00 0.00 H new ATOM 326 N LYS A 23 -3.318 -18.692 11.802 1.00 0.00 N ATOM 327 CA LYS A 23 -3.281 -19.085 13.206 1.00 0.00 C ATOM 328 C LYS A 23 -2.445 -18.105 14.023 1.00 0.00 C ATOM 329 O LYS A 23 -1.504 -18.500 14.710 1.00 0.00 O ATOM 330 CB LYS A 23 -2.712 -20.498 13.346 1.00 0.00 C ATOM 331 CG LYS A 23 -3.344 -21.299 14.471 1.00 0.00 C ATOM 332 CD LYS A 23 -2.584 -21.124 15.776 1.00 0.00 C ATOM 333 CE LYS A 23 -1.257 -21.868 15.752 1.00 0.00 C ATOM 334 NZ LYS A 23 -0.341 -21.401 16.828 1.00 0.00 N ATOM 0 H LYS A 23 -4.240 -18.415 11.466 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.302 -19.072 13.589 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.854 -21.032 12.407 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.637 -20.433 13.517 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.379 -20.984 14.606 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.365 -22.355 14.200 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.405 -20.064 15.955 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -3.192 -21.488 16.604 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.438 -22.937 15.867 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.779 -21.728 14.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 0.552 -21.932 16.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.148 -20.387 16.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -0.786 -21.558 17.755 1.00 0.00 H new ATOM 348 N GLY A 24 -2.796 -16.825 13.944 1.00 0.00 N ATOM 349 CA GLY A 24 -2.069 -15.809 14.682 1.00 0.00 C ATOM 350 C GLY A 24 -2.949 -14.642 15.083 1.00 0.00 C ATOM 351 O GLY A 24 -3.796 -14.768 15.966 1.00 0.00 O ATOM 0 H GLY A 24 -3.571 -16.474 13.382 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.634 -16.256 15.576 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.242 -15.444 14.073 1.00 0.00 H new ATOM 355 N GLY A 25 -2.746 -13.500 14.433 1.00 0.00 N ATOM 356 CA GLY A 25 -3.534 -12.321 14.742 1.00 0.00 C ATOM 357 C GLY A 25 -3.745 -11.431 13.533 1.00 0.00 C ATOM 358 O GLY A 25 -3.424 -11.815 12.408 1.00 0.00 O ATOM 0 H GLY A 25 -2.050 -13.370 13.698 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -4.503 -12.628 15.136 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.037 -11.751 15.527 1.00 0.00 H new ATOM 362 N SER A 26 -4.286 -10.239 13.764 1.00 0.00 N ATOM 363 CA SER A 26 -4.544 -9.294 12.684 1.00 0.00 C ATOM 364 C SER A 26 -3.303 -9.109 11.816 1.00 0.00 C ATOM 365 O SER A 26 -2.198 -9.490 12.203 1.00 0.00 O ATOM 366 CB SER A 26 -4.988 -7.945 13.253 1.00 0.00 C ATOM 367 OG SER A 26 -3.884 -7.218 13.762 1.00 0.00 O ATOM 0 H SER A 26 -4.554 -9.905 14.690 1.00 0.00 H new ATOM 0 HA SER A 26 -5.343 -9.699 12.063 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.483 -7.364 12.475 1.00 0.00 H new ATOM 0 HB3 SER A 26 -5.719 -8.104 14.046 1.00 0.00 H new ATOM 0 HG SER A 26 -4.194 -6.359 14.118 1.00 0.00 H new ATOM 373 N LYS A 27 -3.493 -8.521 10.640 1.00 0.00 N ATOM 374 CA LYS A 27 -2.391 -8.283 9.715 1.00 0.00 C ATOM 375 C LYS A 27 -2.142 -6.788 9.539 1.00 0.00 C ATOM 376 O LYS A 27 -2.261 -6.257 8.436 1.00 0.00 O ATOM 377 CB LYS A 27 -2.689 -8.925 8.358 1.00 0.00 C ATOM 378 CG LYS A 27 -2.350 -10.404 8.297 1.00 0.00 C ATOM 379 CD LYS A 27 -0.849 -10.634 8.350 1.00 0.00 C ATOM 380 CE LYS A 27 -0.511 -12.117 8.315 1.00 0.00 C ATOM 381 NZ LYS A 27 0.880 -12.380 8.779 1.00 0.00 N ATOM 0 H LYS A 27 -4.401 -8.200 10.304 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.493 -8.736 10.135 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.746 -8.793 8.128 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.127 -8.400 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.828 -10.922 9.128 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.753 -10.833 7.380 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.373 -10.131 7.508 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -0.443 -10.189 9.258 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.213 -12.664 8.944 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -0.632 -12.493 7.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.072 -13.401 8.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.552 -11.878 8.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.989 -12.044 9.757 1.00 0.00 H new ATOM 395 N GLU A 28 -1.795 -6.118 10.633 1.00 0.00 N ATOM 396 CA GLU A 28 -1.529 -4.685 10.598 1.00 0.00 C ATOM 397 C GLU A 28 -0.042 -4.412 10.389 1.00 0.00 C ATOM 398 O GLU A 28 0.810 -5.165 10.862 1.00 0.00 O ATOM 399 CB GLU A 28 -2.003 -4.023 11.893 1.00 0.00 C ATOM 400 CG GLU A 28 -2.382 -2.561 11.727 1.00 0.00 C ATOM 401 CD GLU A 28 -3.279 -2.060 12.842 1.00 0.00 C ATOM 402 OE1 GLU A 28 -3.141 -2.555 13.981 1.00 0.00 O ATOM 403 OE2 GLU A 28 -4.118 -1.175 12.577 1.00 0.00 O ATOM 0 H GLU A 28 -1.692 -6.544 11.554 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.080 -4.260 9.759 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.863 -4.571 12.277 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.214 -4.102 12.641 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.476 -1.956 11.695 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.888 -2.427 10.771 1.00 0.00 H new ATOM 410 N TYR A 29 0.262 -3.332 9.678 1.00 0.00 N ATOM 411 CA TYR A 29 1.645 -2.962 9.404 1.00 0.00 C ATOM 412 C TYR A 29 1.815 -1.446 9.413 1.00 0.00 C ATOM 413 O TYR A 29 0.836 -0.700 9.365 1.00 0.00 O ATOM 414 CB TYR A 29 2.088 -3.527 8.053 1.00 0.00 C ATOM 415 CG TYR A 29 2.484 -4.985 8.108 1.00 0.00 C ATOM 416 CD1 TYR A 29 3.781 -5.362 8.435 1.00 0.00 C ATOM 417 CD2 TYR A 29 1.561 -5.987 7.833 1.00 0.00 C ATOM 418 CE1 TYR A 29 4.147 -6.693 8.486 1.00 0.00 C ATOM 419 CE2 TYR A 29 1.918 -7.321 7.883 1.00 0.00 C ATOM 420 CZ TYR A 29 3.212 -7.668 8.209 1.00 0.00 C ATOM 421 OH TYR A 29 3.572 -8.996 8.259 1.00 0.00 O ATOM 0 H TYR A 29 -0.431 -2.697 9.281 1.00 0.00 H new ATOM 0 HA TYR A 29 2.270 -3.385 10.190 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.277 -3.406 7.334 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.931 -2.944 7.683 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.516 -4.601 8.653 1.00 0.00 H new ATOM 0 HD2 TYR A 29 0.547 -5.718 7.576 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.160 -6.968 8.741 1.00 0.00 H new ATOM 0 HE2 TYR A 29 1.188 -8.087 7.668 1.00 0.00 H new ATOM 0 HH TYR A 29 2.797 -9.554 8.039 1.00 0.00 H new ATOM 431 N TRP A 30 3.063 -0.998 9.476 1.00 0.00 N ATOM 432 CA TRP A 30 3.363 0.430 9.491 1.00 0.00 C ATOM 433 C TRP A 30 3.888 0.890 8.136 1.00 0.00 C ATOM 434 O TRP A 30 5.093 0.866 7.885 1.00 0.00 O ATOM 435 CB TRP A 30 4.387 0.745 10.583 1.00 0.00 C ATOM 436 CG TRP A 30 4.860 2.167 10.561 1.00 0.00 C ATOM 437 CD1 TRP A 30 6.071 2.622 10.124 1.00 0.00 C ATOM 438 CD2 TRP A 30 4.130 3.319 10.997 1.00 0.00 C ATOM 439 NE1 TRP A 30 6.138 3.987 10.262 1.00 0.00 N ATOM 440 CE2 TRP A 30 4.960 4.439 10.794 1.00 0.00 C ATOM 441 CE3 TRP A 30 2.856 3.514 11.536 1.00 0.00 C ATOM 442 CZ2 TRP A 30 4.555 5.733 11.114 1.00 0.00 C ATOM 443 CZ3 TRP A 30 2.456 4.798 11.854 1.00 0.00 C ATOM 444 CH2 TRP A 30 3.303 5.894 11.641 1.00 0.00 C ATOM 0 H TRP A 30 3.884 -1.602 9.518 1.00 0.00 H new ATOM 0 HA TRP A 30 2.439 0.968 9.703 1.00 0.00 H new ATOM 0 HB2 TRP A 30 3.946 0.531 11.557 1.00 0.00 H new ATOM 0 HB3 TRP A 30 5.245 0.082 10.469 1.00 0.00 H new ATOM 0 HD1 TRP A 30 6.860 2.000 9.728 1.00 0.00 H new ATOM 0 HE1 TRP A 30 6.936 4.570 10.009 1.00 0.00 H new ATOM 0 HE3 TRP A 30 2.195 2.676 11.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 5.206 6.579 10.952 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 1.474 4.960 12.274 1.00 0.00 H new ATOM 0 HH2 TRP A 30 2.960 6.885 11.898 1.00 0.00 H new ATOM 455 N PHE A 31 2.977 1.310 7.265 1.00 0.00 N ATOM 456 CA PHE A 31 3.349 1.776 5.934 1.00 0.00 C ATOM 457 C PHE A 31 3.824 3.225 5.978 1.00 0.00 C ATOM 458 O PHE A 31 3.129 4.103 6.490 1.00 0.00 O ATOM 459 CB PHE A 31 2.164 1.645 4.975 1.00 0.00 C ATOM 460 CG PHE A 31 1.884 0.230 4.557 1.00 0.00 C ATOM 461 CD1 PHE A 31 1.193 -0.630 5.396 1.00 0.00 C ATOM 462 CD2 PHE A 31 2.312 -0.241 3.327 1.00 0.00 C ATOM 463 CE1 PHE A 31 0.935 -1.933 5.015 1.00 0.00 C ATOM 464 CE2 PHE A 31 2.057 -1.544 2.940 1.00 0.00 C ATOM 465 CZ PHE A 31 1.366 -2.390 3.785 1.00 0.00 C ATOM 0 H PHE A 31 1.976 1.337 7.457 1.00 0.00 H new ATOM 0 HA PHE A 31 4.169 1.154 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 31 1.274 2.057 5.451 1.00 0.00 H new ATOM 0 HB3 PHE A 31 2.358 2.246 4.087 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.852 -0.278 6.358 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.851 0.417 2.662 1.00 0.00 H new ATOM 0 HE1 PHE A 31 0.397 -2.594 5.679 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.398 -1.899 1.979 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.163 -3.407 3.484 1.00 0.00 H new ATOM 475 N VAL A 32 5.014 3.469 5.438 1.00 0.00 N ATOM 476 CA VAL A 32 5.583 4.811 5.414 1.00 0.00 C ATOM 477 C VAL A 32 5.846 5.271 3.985 1.00 0.00 C ATOM 478 O VAL A 32 6.885 4.960 3.402 1.00 0.00 O ATOM 479 CB VAL A 32 6.899 4.876 6.213 1.00 0.00 C ATOM 480 CG1 VAL A 32 7.598 6.207 5.981 1.00 0.00 C ATOM 481 CG2 VAL A 32 6.633 4.656 7.695 1.00 0.00 C ATOM 0 H VAL A 32 5.603 2.754 5.011 1.00 0.00 H new ATOM 0 HA VAL A 32 4.852 5.474 5.877 1.00 0.00 H new ATOM 0 HB VAL A 32 7.557 4.081 5.863 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.525 6.235 6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.822 6.320 4.920 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.948 7.020 6.303 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.573 4.705 8.245 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.957 5.429 8.062 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.178 3.676 7.841 1.00 0.00 H new ATOM 491 N LEU A 33 4.899 6.015 3.426 1.00 0.00 N ATOM 492 CA LEU A 33 5.027 6.521 2.063 1.00 0.00 C ATOM 493 C LEU A 33 5.961 7.725 2.015 1.00 0.00 C ATOM 494 O LEU A 33 5.685 8.764 2.617 1.00 0.00 O ATOM 495 CB LEU A 33 3.654 6.903 1.508 1.00 0.00 C ATOM 496 CG LEU A 33 3.657 7.766 0.246 1.00 0.00 C ATOM 497 CD1 LEU A 33 3.654 6.892 -0.998 1.00 0.00 C ATOM 498 CD2 LEU A 33 2.461 8.707 0.241 1.00 0.00 C ATOM 0 H LEU A 33 4.033 6.282 3.895 1.00 0.00 H new ATOM 0 HA LEU A 33 5.453 5.729 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.102 5.987 1.296 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.105 7.434 2.286 1.00 0.00 H new ATOM 0 HG LEU A 33 4.567 8.366 0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.656 7.524 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.542 6.259 -1.000 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.762 6.266 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.479 9.314 -0.664 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.540 8.125 0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.506 9.357 1.114 1.00 0.00 H new ATOM 510 N THR A 34 7.068 7.581 1.293 1.00 0.00 N ATOM 511 CA THR A 34 8.043 8.657 1.165 1.00 0.00 C ATOM 512 C THR A 34 8.413 8.893 -0.295 1.00 0.00 C ATOM 513 O THR A 34 8.311 7.990 -1.125 1.00 0.00 O ATOM 514 CB THR A 34 9.323 8.353 1.965 1.00 0.00 C ATOM 515 OG1 THR A 34 9.952 7.173 1.453 1.00 0.00 O ATOM 516 CG2 THR A 34 9.008 8.167 3.441 1.00 0.00 C ATOM 0 H THR A 34 7.312 6.729 0.788 1.00 0.00 H new ATOM 0 HA THR A 34 7.577 9.556 1.568 1.00 0.00 H new ATOM 0 HB THR A 34 10.001 9.200 1.859 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.310 6.670 0.909 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.928 7.953 3.985 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.557 9.078 3.834 1.00 0.00 H new ATOM 0 HG23 THR A 34 8.313 7.336 3.563 1.00 0.00 H new ATOM 524 N ALA A 35 8.843 10.113 -0.602 1.00 0.00 N ATOM 525 CA ALA A 35 9.231 10.466 -1.962 1.00 0.00 C ATOM 526 C ALA A 35 10.172 9.422 -2.553 1.00 0.00 C ATOM 527 O ALA A 35 10.118 9.130 -3.747 1.00 0.00 O ATOM 528 CB ALA A 35 9.883 11.840 -1.985 1.00 0.00 C ATOM 0 H ALA A 35 8.931 10.873 0.073 1.00 0.00 H new ATOM 0 HA ALA A 35 8.330 10.493 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 35 10.168 12.091 -3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 35 9.178 12.583 -1.612 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.771 11.832 -1.353 1.00 0.00 H new ATOM 534 N GLU A 36 11.035 8.864 -1.709 1.00 0.00 N ATOM 535 CA GLU A 36 11.989 7.853 -2.150 1.00 0.00 C ATOM 536 C GLU A 36 11.278 6.549 -2.500 1.00 0.00 C ATOM 537 O GLU A 36 11.267 6.126 -3.656 1.00 0.00 O ATOM 538 CB GLU A 36 13.036 7.600 -1.063 1.00 0.00 C ATOM 539 CG GLU A 36 14.131 8.652 -1.017 1.00 0.00 C ATOM 540 CD GLU A 36 14.879 8.658 0.303 1.00 0.00 C ATOM 541 OE1 GLU A 36 14.230 8.861 1.350 1.00 0.00 O ATOM 542 OE2 GLU A 36 16.112 8.459 0.288 1.00 0.00 O ATOM 0 H GLU A 36 11.093 9.095 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 36 12.487 8.226 -3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.539 7.562 -0.094 1.00 0.00 H new ATOM 0 HB3 GLU A 36 13.489 6.623 -1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.836 8.473 -1.829 1.00 0.00 H new ATOM 0 HG3 GLU A 36 13.692 9.635 -1.186 1.00 0.00 H new ATOM 549 N SER A 37 10.685 5.916 -1.493 1.00 0.00 N ATOM 550 CA SER A 37 9.975 4.658 -1.692 1.00 0.00 C ATOM 551 C SER A 37 8.980 4.411 -0.562 1.00 0.00 C ATOM 552 O SER A 37 8.955 5.141 0.430 1.00 0.00 O ATOM 553 CB SER A 37 10.966 3.497 -1.777 1.00 0.00 C ATOM 554 OG SER A 37 11.430 3.126 -0.491 1.00 0.00 O ATOM 0 H SER A 37 10.682 6.254 -0.531 1.00 0.00 H new ATOM 0 HA SER A 37 9.424 4.725 -2.630 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.488 2.642 -2.255 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.811 3.782 -2.404 1.00 0.00 H new ATOM 0 HG SER A 37 12.276 2.639 -0.576 1.00 0.00 H new ATOM 560 N LEU A 38 8.162 3.377 -0.718 1.00 0.00 N ATOM 561 CA LEU A 38 7.164 3.031 0.288 1.00 0.00 C ATOM 562 C LEU A 38 7.489 1.691 0.940 1.00 0.00 C ATOM 563 O LEU A 38 7.450 0.647 0.289 1.00 0.00 O ATOM 564 CB LEU A 38 5.771 2.979 -0.342 1.00 0.00 C ATOM 565 CG LEU A 38 4.718 2.175 0.421 1.00 0.00 C ATOM 566 CD1 LEU A 38 4.169 2.983 1.585 1.00 0.00 C ATOM 567 CD2 LEU A 38 3.594 1.748 -0.512 1.00 0.00 C ATOM 0 H LEU A 38 8.170 2.763 -1.532 1.00 0.00 H new ATOM 0 HA LEU A 38 7.179 3.802 1.058 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.407 4.000 -0.455 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.863 2.560 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 38 5.192 1.279 0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.421 2.394 2.116 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.981 3.238 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.711 3.898 1.209 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.854 1.177 0.048 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.122 2.632 -0.941 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.000 1.129 -1.312 1.00 0.00 H new ATOM 579 N SER A 39 7.809 1.727 2.229 1.00 0.00 N ATOM 580 CA SER A 39 8.143 0.516 2.969 1.00 0.00 C ATOM 581 C SER A 39 7.253 0.368 4.199 1.00 0.00 C ATOM 582 O SER A 39 6.875 1.356 4.828 1.00 0.00 O ATOM 583 CB SER A 39 9.614 0.539 3.390 1.00 0.00 C ATOM 584 OG SER A 39 10.468 0.493 2.260 1.00 0.00 O ATOM 0 H SER A 39 7.844 2.583 2.783 1.00 0.00 H new ATOM 0 HA SER A 39 7.973 -0.338 2.314 1.00 0.00 H new ATOM 0 HB2 SER A 39 9.817 1.442 3.966 1.00 0.00 H new ATOM 0 HB3 SER A 39 9.822 -0.309 4.042 1.00 0.00 H new ATOM 0 HG SER A 39 9.949 0.678 1.450 1.00 0.00 H new ATOM 590 N TRP A 40 6.921 -0.874 4.535 1.00 0.00 N ATOM 591 CA TRP A 40 6.075 -1.153 5.689 1.00 0.00 C ATOM 592 C TRP A 40 6.868 -1.847 6.791 1.00 0.00 C ATOM 593 O TRP A 40 7.501 -2.878 6.557 1.00 0.00 O ATOM 594 CB TRP A 40 4.884 -2.019 5.277 1.00 0.00 C ATOM 595 CG TRP A 40 5.255 -3.136 4.349 1.00 0.00 C ATOM 596 CD1 TRP A 40 5.456 -4.446 4.682 1.00 0.00 C ATOM 597 CD2 TRP A 40 5.472 -3.041 2.937 1.00 0.00 C ATOM 598 NE1 TRP A 40 5.784 -5.170 3.562 1.00 0.00 N ATOM 599 CE2 TRP A 40 5.800 -4.332 2.478 1.00 0.00 C ATOM 600 CE3 TRP A 40 5.419 -1.992 2.015 1.00 0.00 C ATOM 601 CZ2 TRP A 40 6.074 -4.599 1.140 1.00 0.00 C ATOM 602 CZ3 TRP A 40 5.692 -2.258 0.687 1.00 0.00 C ATOM 603 CH2 TRP A 40 6.016 -3.553 0.259 1.00 0.00 C ATOM 0 H TRP A 40 7.225 -1.703 4.024 1.00 0.00 H new ATOM 0 HA TRP A 40 5.707 -0.203 6.076 1.00 0.00 H new ATOM 0 HB2 TRP A 40 4.422 -2.437 6.171 1.00 0.00 H new ATOM 0 HB3 TRP A 40 4.135 -1.390 4.796 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.370 -4.852 5.679 1.00 0.00 H new ATOM 0 HE1 TRP A 40 5.983 -6.170 3.541 1.00 0.00 H new ATOM 0 HE3 TRP A 40 5.169 -0.991 2.335 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.324 -5.596 0.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 5.655 -1.454 -0.034 1.00 0.00 H new ATOM 0 HH2 TRP A 40 6.224 -3.729 -0.786 1.00 0.00 H new ATOM 614 N TYR A 41 6.830 -1.278 7.990 1.00 0.00 N ATOM 615 CA TYR A 41 7.547 -1.843 9.127 1.00 0.00 C ATOM 616 C TYR A 41 6.577 -2.449 10.137 1.00 0.00 C ATOM 617 O TYR A 41 5.364 -2.447 9.929 1.00 0.00 O ATOM 618 CB TYR A 41 8.399 -0.768 9.804 1.00 0.00 C ATOM 619 CG TYR A 41 9.215 0.057 8.834 1.00 0.00 C ATOM 620 CD1 TYR A 41 8.602 0.953 7.967 1.00 0.00 C ATOM 621 CD2 TYR A 41 10.599 -0.059 8.785 1.00 0.00 C ATOM 622 CE1 TYR A 41 9.343 1.708 7.079 1.00 0.00 C ATOM 623 CE2 TYR A 41 11.348 0.693 7.901 1.00 0.00 C ATOM 624 CZ TYR A 41 10.716 1.575 7.050 1.00 0.00 C ATOM 625 OH TYR A 41 11.458 2.325 6.168 1.00 0.00 O ATOM 0 H TYR A 41 6.310 -0.426 8.200 1.00 0.00 H new ATOM 0 HA TYR A 41 8.198 -2.634 8.756 1.00 0.00 H new ATOM 0 HB2 TYR A 41 7.748 -0.105 10.373 1.00 0.00 H new ATOM 0 HB3 TYR A 41 9.071 -1.245 10.518 1.00 0.00 H new ATOM 0 HD1 TYR A 41 7.528 1.061 7.988 1.00 0.00 H new ATOM 0 HD2 TYR A 41 11.098 -0.749 9.450 1.00 0.00 H new ATOM 0 HE1 TYR A 41 8.850 2.399 6.411 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.423 0.591 7.876 1.00 0.00 H new ATOM 0 HH TYR A 41 12.344 2.498 6.550 1.00 0.00 H new ATOM 635 N LYS A 42 7.122 -2.969 11.232 1.00 0.00 N ATOM 636 CA LYS A 42 6.308 -3.577 12.277 1.00 0.00 C ATOM 637 C LYS A 42 5.932 -2.551 13.341 1.00 0.00 C ATOM 638 O LYS A 42 4.907 -2.683 14.010 1.00 0.00 O ATOM 639 CB LYS A 42 7.058 -4.745 12.921 1.00 0.00 C ATOM 640 CG LYS A 42 6.155 -5.893 13.338 1.00 0.00 C ATOM 641 CD LYS A 42 6.711 -6.630 14.545 1.00 0.00 C ATOM 642 CE LYS A 42 6.059 -7.994 14.714 1.00 0.00 C ATOM 643 NZ LYS A 42 6.521 -8.961 13.679 1.00 0.00 N ATOM 0 H LYS A 42 8.125 -2.981 11.418 1.00 0.00 H new ATOM 0 HA LYS A 42 5.392 -3.950 11.819 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.804 -5.117 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 42 7.597 -4.381 13.796 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.162 -5.510 13.571 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.042 -6.588 12.506 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.788 -6.752 14.434 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.549 -6.034 15.443 1.00 0.00 H new ATOM 0 HE2 LYS A 42 6.288 -8.386 15.705 1.00 0.00 H new ATOM 0 HE3 LYS A 42 4.976 -7.889 14.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.264 -9.927 13.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.068 -8.739 12.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.554 -8.894 13.577 1.00 0.00 H new ATOM 657 N ASP A 43 6.767 -1.529 13.492 1.00 0.00 N ATOM 658 CA ASP A 43 6.521 -0.479 14.473 1.00 0.00 C ATOM 659 C ASP A 43 6.778 0.899 13.871 1.00 0.00 C ATOM 660 O ASP A 43 7.486 1.027 12.873 1.00 0.00 O ATOM 661 CB ASP A 43 7.406 -0.684 15.704 1.00 0.00 C ATOM 662 CG ASP A 43 8.732 -1.336 15.362 1.00 0.00 C ATOM 663 OD1 ASP A 43 8.717 -2.474 14.848 1.00 0.00 O ATOM 664 OD2 ASP A 43 9.783 -0.709 15.609 1.00 0.00 O ATOM 0 H ASP A 43 7.620 -1.405 12.947 1.00 0.00 H new ATOM 0 HA ASP A 43 5.475 -0.535 14.773 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.590 0.279 16.180 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.877 -1.302 16.429 1.00 0.00 H new ATOM 669 N GLU A 44 6.196 1.925 14.484 1.00 0.00 N ATOM 670 CA GLU A 44 6.361 3.292 14.006 1.00 0.00 C ATOM 671 C GLU A 44 7.836 3.682 13.968 1.00 0.00 C ATOM 672 O GLU A 44 8.226 4.603 13.252 1.00 0.00 O ATOM 673 CB GLU A 44 5.588 4.265 14.899 1.00 0.00 C ATOM 674 CG GLU A 44 5.032 5.466 14.153 1.00 0.00 C ATOM 675 CD GLU A 44 4.893 6.690 15.038 1.00 0.00 C ATOM 676 OE1 GLU A 44 5.930 7.204 15.508 1.00 0.00 O ATOM 677 OE2 GLU A 44 3.747 7.133 15.261 1.00 0.00 O ATOM 0 H GLU A 44 5.607 1.835 15.312 1.00 0.00 H new ATOM 0 HA GLU A 44 5.963 3.345 12.993 1.00 0.00 H new ATOM 0 HB2 GLU A 44 4.766 3.732 15.376 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.245 4.615 15.695 1.00 0.00 H new ATOM 0 HG2 GLU A 44 5.686 5.702 13.313 1.00 0.00 H new ATOM 0 HG3 GLU A 44 4.058 5.211 13.736 1.00 0.00 H new ATOM 684 N GLU A 45 8.649 2.972 14.744 1.00 0.00 N ATOM 685 CA GLU A 45 10.080 3.245 14.800 1.00 0.00 C ATOM 686 C GLU A 45 10.748 2.922 13.466 1.00 0.00 C ATOM 687 O GLU A 45 11.867 3.359 13.199 1.00 0.00 O ATOM 688 CB GLU A 45 10.733 2.432 15.919 1.00 0.00 C ATOM 689 CG GLU A 45 10.218 2.781 17.305 1.00 0.00 C ATOM 690 CD GLU A 45 11.207 2.432 18.401 1.00 0.00 C ATOM 691 OE1 GLU A 45 11.150 1.294 18.912 1.00 0.00 O ATOM 692 OE2 GLU A 45 12.039 3.297 18.746 1.00 0.00 O ATOM 0 H GLU A 45 8.342 2.205 15.342 1.00 0.00 H new ATOM 0 HA GLU A 45 10.214 4.307 15.006 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.562 1.372 15.733 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.811 2.591 15.891 1.00 0.00 H new ATOM 0 HG2 GLU A 45 9.996 3.847 17.348 1.00 0.00 H new ATOM 0 HG3 GLU A 45 9.282 2.253 17.484 1.00 0.00 H new ATOM 699 N GLU A 46 10.053 2.154 12.633 1.00 0.00 N ATOM 700 CA GLU A 46 10.579 1.772 11.328 1.00 0.00 C ATOM 701 C GLU A 46 11.986 1.195 11.456 1.00 0.00 C ATOM 702 O GLU A 46 12.886 1.546 10.693 1.00 0.00 O ATOM 703 CB GLU A 46 10.595 2.978 10.386 1.00 0.00 C ATOM 704 CG GLU A 46 9.222 3.589 10.157 1.00 0.00 C ATOM 705 CD GLU A 46 9.289 5.067 9.829 1.00 0.00 C ATOM 706 OE1 GLU A 46 9.978 5.428 8.851 1.00 0.00 O ATOM 707 OE2 GLU A 46 8.653 5.864 10.550 1.00 0.00 O ATOM 0 H GLU A 46 9.125 1.784 12.839 1.00 0.00 H new ATOM 0 HA GLU A 46 9.926 1.004 10.913 1.00 0.00 H new ATOM 0 HB2 GLU A 46 11.259 3.740 10.795 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.013 2.674 9.426 1.00 0.00 H new ATOM 0 HG2 GLU A 46 8.725 3.062 9.342 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.611 3.446 11.049 1.00 0.00 H new ATOM 714 N LYS A 47 12.168 0.307 12.428 1.00 0.00 N ATOM 715 CA LYS A 47 13.464 -0.320 12.658 1.00 0.00 C ATOM 716 C LYS A 47 13.542 -1.678 11.966 1.00 0.00 C ATOM 717 O LYS A 47 14.563 -2.024 11.373 1.00 0.00 O ATOM 718 CB LYS A 47 13.714 -0.486 14.159 1.00 0.00 C ATOM 719 CG LYS A 47 13.648 0.818 14.934 1.00 0.00 C ATOM 720 CD LYS A 47 13.385 0.576 16.411 1.00 0.00 C ATOM 721 CE LYS A 47 14.561 -0.119 17.081 1.00 0.00 C ATOM 722 NZ LYS A 47 15.757 0.765 17.158 1.00 0.00 N ATOM 0 H LYS A 47 11.434 0.006 13.069 1.00 0.00 H new ATOM 0 HA LYS A 47 14.233 0.328 12.237 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.978 -1.179 14.567 1.00 0.00 H new ATOM 0 HB3 LYS A 47 14.695 -0.938 14.308 1.00 0.00 H new ATOM 0 HG2 LYS A 47 14.585 1.361 14.815 1.00 0.00 H new ATOM 0 HG3 LYS A 47 12.860 1.448 14.522 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.192 1.527 16.908 1.00 0.00 H new ATOM 0 HD3 LYS A 47 12.488 -0.032 16.527 1.00 0.00 H new ATOM 0 HE2 LYS A 47 14.274 -0.431 18.085 1.00 0.00 H new ATOM 0 HE3 LYS A 47 14.813 -1.023 16.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.463 0.340 17.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 16.167 0.877 16.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 15.477 1.696 17.526 1.00 0.00 H new ATOM 736 N GLU A 48 12.456 -2.441 12.046 1.00 0.00 N ATOM 737 CA GLU A 48 12.403 -3.759 11.426 1.00 0.00 C ATOM 738 C GLU A 48 11.687 -3.699 10.080 1.00 0.00 C ATOM 739 O GLU A 48 10.490 -3.974 9.987 1.00 0.00 O ATOM 740 CB GLU A 48 11.695 -4.753 12.349 1.00 0.00 C ATOM 741 CG GLU A 48 12.616 -5.396 13.373 1.00 0.00 C ATOM 742 CD GLU A 48 13.404 -6.557 12.800 1.00 0.00 C ATOM 743 OE1 GLU A 48 14.401 -6.307 12.092 1.00 0.00 O ATOM 744 OE2 GLU A 48 13.024 -7.718 13.061 1.00 0.00 O ATOM 0 H GLU A 48 11.602 -2.169 12.534 1.00 0.00 H new ATOM 0 HA GLU A 48 13.426 -4.095 11.259 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.888 -4.239 12.871 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.237 -5.535 11.744 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.308 -4.646 13.756 1.00 0.00 H new ATOM 0 HG3 GLU A 48 12.025 -5.745 14.219 1.00 0.00 H new ATOM 751 N LYS A 49 12.428 -3.337 9.038 1.00 0.00 N ATOM 752 CA LYS A 49 11.866 -3.241 7.695 1.00 0.00 C ATOM 753 C LYS A 49 11.613 -4.627 7.111 1.00 0.00 C ATOM 754 O LYS A 49 12.528 -5.443 7.000 1.00 0.00 O ATOM 755 CB LYS A 49 12.809 -2.455 6.781 1.00 0.00 C ATOM 756 CG LYS A 49 12.275 -2.271 5.371 1.00 0.00 C ATOM 757 CD LYS A 49 13.190 -1.387 4.540 1.00 0.00 C ATOM 758 CE LYS A 49 12.855 0.086 4.719 1.00 0.00 C ATOM 759 NZ LYS A 49 13.936 0.968 4.199 1.00 0.00 N ATOM 0 H LYS A 49 13.420 -3.105 9.097 1.00 0.00 H new ATOM 0 HA LYS A 49 10.914 -2.715 7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 49 12.995 -1.475 7.221 1.00 0.00 H new ATOM 0 HB3 LYS A 49 13.768 -2.970 6.733 1.00 0.00 H new ATOM 0 HG2 LYS A 49 12.172 -3.244 4.890 1.00 0.00 H new ATOM 0 HG3 LYS A 49 11.280 -1.829 5.413 1.00 0.00 H new ATOM 0 HD2 LYS A 49 14.227 -1.563 4.827 1.00 0.00 H new ATOM 0 HD3 LYS A 49 13.101 -1.656 3.488 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.922 0.312 4.202 1.00 0.00 H new ATOM 0 HE3 LYS A 49 12.692 0.296 5.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 13.670 1.963 4.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 14.820 0.771 4.709 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 14.074 0.787 3.184 1.00 0.00 H new ATOM 773 N LYS A 50 10.365 -4.887 6.737 1.00 0.00 N ATOM 774 CA LYS A 50 9.990 -6.173 6.161 1.00 0.00 C ATOM 775 C LYS A 50 10.325 -6.222 4.674 1.00 0.00 C ATOM 776 O LYS A 50 11.071 -7.092 4.224 1.00 0.00 O ATOM 777 CB LYS A 50 8.496 -6.431 6.367 1.00 0.00 C ATOM 778 CG LYS A 50 7.974 -5.948 7.708 1.00 0.00 C ATOM 779 CD LYS A 50 8.818 -6.473 8.857 1.00 0.00 C ATOM 780 CE LYS A 50 8.324 -7.828 9.339 1.00 0.00 C ATOM 781 NZ LYS A 50 7.281 -7.695 10.393 1.00 0.00 N ATOM 0 H LYS A 50 9.595 -4.223 6.823 1.00 0.00 H new ATOM 0 HA LYS A 50 10.560 -6.950 6.669 1.00 0.00 H new ATOM 0 HB2 LYS A 50 7.938 -5.938 5.571 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.305 -7.500 6.276 1.00 0.00 H new ATOM 0 HG2 LYS A 50 7.970 -4.858 7.727 1.00 0.00 H new ATOM 0 HG3 LYS A 50 6.941 -6.273 7.836 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.857 -6.556 8.538 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.794 -5.761 9.682 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.919 -8.388 8.496 1.00 0.00 H new ATOM 0 HE3 LYS A 50 9.164 -8.403 9.730 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 6.781 -8.600 10.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 7.730 -7.436 11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 6.603 -6.956 10.119 1.00 0.00 H new ATOM 795 N TYR A 51 9.771 -5.282 3.916 1.00 0.00 N ATOM 796 CA TYR A 51 10.011 -5.218 2.480 1.00 0.00 C ATOM 797 C TYR A 51 9.839 -3.794 1.961 1.00 0.00 C ATOM 798 O TYR A 51 8.937 -3.072 2.384 1.00 0.00 O ATOM 799 CB TYR A 51 9.060 -6.161 1.740 1.00 0.00 C ATOM 800 CG TYR A 51 9.429 -6.378 0.290 1.00 0.00 C ATOM 801 CD1 TYR A 51 8.979 -5.512 -0.699 1.00 0.00 C ATOM 802 CD2 TYR A 51 10.226 -7.450 -0.091 1.00 0.00 C ATOM 803 CE1 TYR A 51 9.312 -5.707 -2.025 1.00 0.00 C ATOM 804 CE2 TYR A 51 10.566 -7.652 -1.415 1.00 0.00 C ATOM 805 CZ TYR A 51 10.107 -6.778 -2.378 1.00 0.00 C ATOM 806 OH TYR A 51 10.442 -6.977 -3.698 1.00 0.00 O ATOM 0 H TYR A 51 9.152 -4.554 4.273 1.00 0.00 H new ATOM 0 HA TYR A 51 11.039 -5.531 2.295 1.00 0.00 H new ATOM 0 HB2 TYR A 51 9.046 -7.124 2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 51 8.049 -5.758 1.792 1.00 0.00 H new ATOM 0 HD1 TYR A 51 8.358 -4.672 -0.426 1.00 0.00 H new ATOM 0 HD2 TYR A 51 10.586 -8.137 0.660 1.00 0.00 H new ATOM 0 HE1 TYR A 51 8.952 -5.025 -2.781 1.00 0.00 H new ATOM 0 HE2 TYR A 51 11.188 -8.490 -1.694 1.00 0.00 H new ATOM 0 HH TYR A 51 11.007 -7.774 -3.776 1.00 0.00 H new ATOM 816 N MET A 52 10.712 -3.397 1.041 1.00 0.00 N ATOM 817 CA MET A 52 10.656 -2.059 0.462 1.00 0.00 C ATOM 818 C MET A 52 10.111 -2.106 -0.962 1.00 0.00 C ATOM 819 O MET A 52 10.413 -3.026 -1.723 1.00 0.00 O ATOM 820 CB MET A 52 12.045 -1.419 0.468 1.00 0.00 C ATOM 821 CG MET A 52 12.096 -0.070 -0.230 1.00 0.00 C ATOM 822 SD MET A 52 13.722 0.296 -0.918 1.00 0.00 S ATOM 823 CE MET A 52 13.392 0.134 -2.671 1.00 0.00 C ATOM 0 H MET A 52 11.466 -3.982 0.680 1.00 0.00 H new ATOM 0 HA MET A 52 9.983 -1.455 1.070 1.00 0.00 H new ATOM 0 HB2 MET A 52 12.376 -1.298 1.500 1.00 0.00 H new ATOM 0 HB3 MET A 52 12.750 -2.096 -0.015 1.00 0.00 H new ATOM 0 HG2 MET A 52 11.355 -0.051 -1.029 1.00 0.00 H new ATOM 0 HG3 MET A 52 11.821 0.712 0.478 1.00 0.00 H new ATOM 0 HE1 MET A 52 14.305 0.331 -3.233 1.00 0.00 H new ATOM 0 HE2 MET A 52 13.046 -0.877 -2.884 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.624 0.849 -2.964 1.00 0.00 H new ATOM 833 N LEU A 53 9.309 -1.108 -1.317 1.00 0.00 N ATOM 834 CA LEU A 53 8.722 -1.036 -2.650 1.00 0.00 C ATOM 835 C LEU A 53 8.818 0.380 -3.211 1.00 0.00 C ATOM 836 O LEU A 53 8.499 1.362 -2.541 1.00 0.00 O ATOM 837 CB LEU A 53 7.259 -1.482 -2.610 1.00 0.00 C ATOM 838 CG LEU A 53 6.709 -2.092 -3.900 1.00 0.00 C ATOM 839 CD1 LEU A 53 7.288 -3.481 -4.123 1.00 0.00 C ATOM 840 CD2 LEU A 53 5.188 -2.147 -3.857 1.00 0.00 C ATOM 0 H LEU A 53 9.051 -0.338 -0.700 1.00 0.00 H new ATOM 0 HA LEU A 53 9.282 -1.705 -3.303 1.00 0.00 H new ATOM 0 HB2 LEU A 53 7.144 -2.212 -1.809 1.00 0.00 H new ATOM 0 HB3 LEU A 53 6.644 -0.621 -2.348 1.00 0.00 H new ATOM 0 HG LEU A 53 7.007 -1.458 -4.735 1.00 0.00 H new ATOM 0 HD11 LEU A 53 6.885 -3.899 -5.045 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.373 -3.415 -4.198 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.021 -4.125 -3.285 1.00 0.00 H new ATOM 0 HD21 LEU A 53 4.813 -2.584 -4.783 1.00 0.00 H new ATOM 0 HD22 LEU A 53 4.870 -2.758 -3.013 1.00 0.00 H new ATOM 0 HD23 LEU A 53 4.790 -1.138 -3.745 1.00 0.00 H new ATOM 852 N PRO A 54 9.265 0.488 -4.471 1.00 0.00 N ATOM 853 CA PRO A 54 9.410 1.779 -5.151 1.00 0.00 C ATOM 854 C PRO A 54 8.064 2.421 -5.469 1.00 0.00 C ATOM 855 O PRO A 54 7.010 1.836 -5.218 1.00 0.00 O ATOM 856 CB PRO A 54 10.149 1.419 -6.442 1.00 0.00 C ATOM 857 CG PRO A 54 9.809 -0.011 -6.687 1.00 0.00 C ATOM 858 CD PRO A 54 9.662 -0.640 -5.329 1.00 0.00 C ATOM 0 HA PRO A 54 9.934 2.508 -4.533 1.00 0.00 H new ATOM 0 HB2 PRO A 54 9.828 2.050 -7.271 1.00 0.00 H new ATOM 0 HB3 PRO A 54 11.225 1.557 -6.334 1.00 0.00 H new ATOM 0 HG2 PRO A 54 8.886 -0.100 -7.260 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.591 -0.505 -7.263 1.00 0.00 H new ATOM 0 HD2 PRO A 54 8.909 -1.428 -5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 54 10.595 -1.092 -4.992 1.00 0.00 H new ATOM 866 N LEU A 55 8.107 3.628 -6.024 1.00 0.00 N ATOM 867 CA LEU A 55 6.890 4.350 -6.377 1.00 0.00 C ATOM 868 C LEU A 55 6.946 4.838 -7.821 1.00 0.00 C ATOM 869 O LEU A 55 6.338 5.850 -8.169 1.00 0.00 O ATOM 870 CB LEU A 55 6.685 5.537 -5.434 1.00 0.00 C ATOM 871 CG LEU A 55 6.822 5.238 -3.940 1.00 0.00 C ATOM 872 CD1 LEU A 55 6.788 6.527 -3.133 1.00 0.00 C ATOM 873 CD2 LEU A 55 5.724 4.290 -3.483 1.00 0.00 C ATOM 0 H LEU A 55 8.971 4.126 -6.239 1.00 0.00 H new ATOM 0 HA LEU A 55 6.049 3.664 -6.276 1.00 0.00 H new ATOM 0 HB2 LEU A 55 7.404 6.313 -5.697 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.692 5.950 -5.612 1.00 0.00 H new ATOM 0 HG LEU A 55 7.784 4.754 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 55 6.887 6.295 -2.073 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.611 7.171 -3.442 1.00 0.00 H new ATOM 0 HD13 LEU A 55 5.842 7.040 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 55 5.837 4.089 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 55 4.751 4.746 -3.665 1.00 0.00 H new ATOM 0 HD23 LEU A 55 5.796 3.355 -4.039 1.00 0.00 H new ATOM 885 N ASP A 56 7.678 4.111 -8.658 1.00 0.00 N ATOM 886 CA ASP A 56 7.811 4.467 -10.066 1.00 0.00 C ATOM 887 C ASP A 56 7.103 3.449 -10.953 1.00 0.00 C ATOM 888 O ASP A 56 6.488 3.807 -11.957 1.00 0.00 O ATOM 889 CB ASP A 56 9.288 4.560 -10.453 1.00 0.00 C ATOM 890 CG ASP A 56 9.882 5.921 -10.149 1.00 0.00 C ATOM 891 OD1 ASP A 56 9.357 6.927 -10.671 1.00 0.00 O ATOM 892 OD2 ASP A 56 10.870 5.981 -9.388 1.00 0.00 O ATOM 0 H ASP A 56 8.189 3.271 -8.386 1.00 0.00 H new ATOM 0 HA ASP A 56 7.342 5.440 -10.215 1.00 0.00 H new ATOM 0 HB2 ASP A 56 9.850 3.794 -9.918 1.00 0.00 H new ATOM 0 HB3 ASP A 56 9.396 4.349 -11.517 1.00 0.00 H new ATOM 897 N ASN A 57 7.195 2.177 -10.577 1.00 0.00 N ATOM 898 CA ASN A 57 6.564 1.107 -11.340 1.00 0.00 C ATOM 899 C ASN A 57 5.276 0.644 -10.666 1.00 0.00 C ATOM 900 O ASN A 57 4.880 -0.516 -10.787 1.00 0.00 O ATOM 901 CB ASN A 57 7.525 -0.074 -11.492 1.00 0.00 C ATOM 902 CG ASN A 57 8.953 0.371 -11.746 1.00 0.00 C ATOM 903 OD1 ASN A 57 9.870 -0.002 -11.016 1.00 0.00 O ATOM 904 ND2 ASN A 57 9.145 1.174 -12.787 1.00 0.00 N ATOM 0 H ASN A 57 7.700 1.863 -9.749 1.00 0.00 H new ATOM 0 HA ASN A 57 6.317 1.496 -12.328 1.00 0.00 H new ATOM 0 HB2 ASN A 57 7.493 -0.684 -10.589 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.192 -0.706 -12.316 1.00 0.00 H new ATOM 0 HD21 ASN A 57 10.083 1.507 -13.008 1.00 0.00 H new ATOM 0 HD22 ASN A 57 8.354 1.458 -13.365 1.00 0.00 H new ATOM 911 N LEU A 58 4.625 1.559 -9.957 1.00 0.00 N ATOM 912 CA LEU A 58 3.380 1.247 -9.263 1.00 0.00 C ATOM 913 C LEU A 58 2.239 2.122 -9.772 1.00 0.00 C ATOM 914 O LEU A 58 2.456 3.064 -10.534 1.00 0.00 O ATOM 915 CB LEU A 58 3.551 1.438 -7.755 1.00 0.00 C ATOM 916 CG LEU A 58 4.683 0.645 -7.102 1.00 0.00 C ATOM 917 CD1 LEU A 58 4.639 0.799 -5.590 1.00 0.00 C ATOM 918 CD2 LEU A 58 4.600 -0.824 -7.493 1.00 0.00 C ATOM 0 H LEU A 58 4.938 2.523 -9.847 1.00 0.00 H new ATOM 0 HA LEU A 58 3.132 0.205 -9.465 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.717 2.497 -7.560 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.615 1.167 -7.266 1.00 0.00 H new ATOM 0 HG LEU A 58 5.633 1.043 -7.460 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.452 0.228 -5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.748 1.851 -5.328 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.685 0.428 -5.214 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.414 -1.373 -7.019 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.645 -1.235 -7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.682 -0.917 -8.576 1.00 0.00 H new ATOM 930 N LYS A 59 1.021 1.805 -9.344 1.00 0.00 N ATOM 931 CA LYS A 59 -0.155 2.563 -9.753 1.00 0.00 C ATOM 932 C LYS A 59 -1.365 2.191 -8.901 1.00 0.00 C ATOM 933 O LYS A 59 -1.456 1.075 -8.391 1.00 0.00 O ATOM 934 CB LYS A 59 -0.462 2.311 -11.231 1.00 0.00 C ATOM 935 CG LYS A 59 -1.380 3.352 -11.847 1.00 0.00 C ATOM 936 CD LYS A 59 -0.598 4.541 -12.380 1.00 0.00 C ATOM 937 CE LYS A 59 -1.522 5.675 -12.797 1.00 0.00 C ATOM 938 NZ LYS A 59 -2.168 6.323 -11.622 1.00 0.00 N ATOM 0 H LYS A 59 0.823 1.028 -8.714 1.00 0.00 H new ATOM 0 HA LYS A 59 0.058 3.622 -9.608 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.474 2.288 -11.789 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.920 1.327 -11.336 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.953 2.900 -12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.098 3.693 -11.101 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.093 4.896 -11.615 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.004 4.229 -13.233 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -0.955 6.419 -13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.290 5.290 -13.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.595 7.225 -11.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.907 5.697 -11.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.454 6.500 -10.887 1.00 0.00 H new ATOM 952 N ILE A 60 -2.291 3.133 -8.754 1.00 0.00 N ATOM 953 CA ILE A 60 -3.496 2.902 -7.967 1.00 0.00 C ATOM 954 C ILE A 60 -4.744 2.965 -8.841 1.00 0.00 C ATOM 955 O ILE A 60 -4.869 3.837 -9.700 1.00 0.00 O ATOM 956 CB ILE A 60 -3.629 3.930 -6.827 1.00 0.00 C ATOM 957 CG1 ILE A 60 -2.385 3.900 -5.937 1.00 0.00 C ATOM 958 CG2 ILE A 60 -4.881 3.653 -6.008 1.00 0.00 C ATOM 959 CD1 ILE A 60 -2.297 5.070 -4.982 1.00 0.00 C ATOM 0 H ILE A 60 -2.230 4.063 -9.169 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.406 1.904 -7.538 1.00 0.00 H new ATOM 0 HB ILE A 60 -3.717 4.925 -7.263 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.380 2.973 -5.364 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -1.497 3.889 -6.568 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.961 4.387 -5.206 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.759 3.720 -6.651 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.821 2.653 -5.579 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.391 4.983 -4.383 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.270 6.001 -5.549 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.167 5.070 -4.326 1.00 0.00 H new ATOM 971 N ARG A 61 -5.665 2.034 -8.614 1.00 0.00 N ATOM 972 CA ARG A 61 -6.904 1.983 -9.381 1.00 0.00 C ATOM 973 C ARG A 61 -8.084 1.621 -8.483 1.00 0.00 C ATOM 974 O ARG A 61 -7.931 0.889 -7.505 1.00 0.00 O ATOM 975 CB ARG A 61 -6.784 0.968 -10.518 1.00 0.00 C ATOM 976 CG ARG A 61 -6.319 -0.405 -10.063 1.00 0.00 C ATOM 977 CD ARG A 61 -6.352 -1.412 -11.202 1.00 0.00 C ATOM 978 NE ARG A 61 -7.686 -1.973 -11.398 1.00 0.00 N ATOM 979 CZ ARG A 61 -7.926 -3.065 -12.115 1.00 0.00 C ATOM 980 NH1 ARG A 61 -6.927 -3.710 -12.701 1.00 0.00 N ATOM 981 NH2 ARG A 61 -9.167 -3.514 -12.247 1.00 0.00 N ATOM 0 H ARG A 61 -5.577 1.305 -7.906 1.00 0.00 H new ATOM 0 HA ARG A 61 -7.081 2.972 -9.804 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.752 0.870 -11.009 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -6.086 1.350 -11.263 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.306 -0.334 -9.668 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -6.955 -0.754 -9.249 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.023 -0.929 -12.122 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.647 -2.217 -10.995 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.477 -1.500 -10.960 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -5.971 -3.368 -12.602 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.114 -4.548 -13.251 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -9.938 -3.021 -11.798 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.350 -4.353 -12.798 1.00 0.00 H new ATOM 995 N ASP A 62 -9.260 2.137 -8.823 1.00 0.00 N ATOM 996 CA ASP A 62 -10.466 1.868 -8.049 1.00 0.00 C ATOM 997 C ASP A 62 -10.853 0.395 -8.141 1.00 0.00 C ATOM 998 O ASP A 62 -11.298 -0.077 -9.187 1.00 0.00 O ATOM 999 CB ASP A 62 -11.620 2.743 -8.541 1.00 0.00 C ATOM 1000 CG ASP A 62 -11.199 4.181 -8.769 1.00 0.00 C ATOM 1001 OD1 ASP A 62 -10.638 4.790 -7.834 1.00 0.00 O ATOM 1002 OD2 ASP A 62 -11.431 4.698 -9.882 1.00 0.00 O ATOM 0 H ASP A 62 -9.404 2.744 -9.630 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.259 2.107 -7.006 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -12.014 2.331 -9.470 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -12.430 2.716 -7.812 1.00 0.00 H new ATOM 1007 N VAL A 63 -10.679 -0.328 -7.039 1.00 0.00 N ATOM 1008 CA VAL A 63 -11.010 -1.747 -6.995 1.00 0.00 C ATOM 1009 C VAL A 63 -12.459 -1.961 -6.573 1.00 0.00 C ATOM 1010 O VAL A 63 -13.028 -1.150 -5.843 1.00 0.00 O ATOM 1011 CB VAL A 63 -10.086 -2.509 -6.025 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -10.454 -2.199 -4.583 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -10.153 -4.005 -6.292 1.00 0.00 C ATOM 0 H VAL A 63 -10.311 0.046 -6.165 1.00 0.00 H new ATOM 0 HA VAL A 63 -10.867 -2.137 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.061 -2.179 -6.191 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.791 -2.746 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -10.350 -1.129 -4.403 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -11.485 -2.499 -4.398 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -9.495 -4.528 -5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -11.176 -4.354 -6.154 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -9.836 -4.207 -7.315 1.00 0.00 H new ATOM 1023 N GLU A 64 -13.049 -3.058 -7.037 1.00 0.00 N ATOM 1024 CA GLU A 64 -14.433 -3.377 -6.707 1.00 0.00 C ATOM 1025 C GLU A 64 -14.767 -2.943 -5.283 1.00 0.00 C ATOM 1026 O GLU A 64 -14.005 -3.196 -4.349 1.00 0.00 O ATOM 1027 CB GLU A 64 -14.685 -4.878 -6.867 1.00 0.00 C ATOM 1028 CG GLU A 64 -16.135 -5.278 -6.650 1.00 0.00 C ATOM 1029 CD GLU A 64 -16.970 -5.151 -7.909 1.00 0.00 C ATOM 1030 OE1 GLU A 64 -16.415 -5.342 -9.011 1.00 0.00 O ATOM 1031 OE2 GLU A 64 -18.179 -4.860 -7.792 1.00 0.00 O ATOM 0 H GLU A 64 -12.591 -3.740 -7.642 1.00 0.00 H new ATOM 0 HA GLU A 64 -15.079 -2.832 -7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -14.378 -5.185 -7.867 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -14.057 -5.421 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -16.175 -6.308 -6.295 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -16.567 -4.654 -5.868 1.00 0.00 H new ATOM 1038 N LYS A 65 -15.912 -2.287 -5.124 1.00 0.00 N ATOM 1039 CA LYS A 65 -16.349 -1.817 -3.814 1.00 0.00 C ATOM 1040 C LYS A 65 -17.509 -2.659 -3.294 1.00 0.00 C ATOM 1041 O LYS A 65 -18.587 -2.139 -3.007 1.00 0.00 O ATOM 1042 CB LYS A 65 -16.767 -0.347 -3.891 1.00 0.00 C ATOM 1043 CG LYS A 65 -15.598 0.622 -3.826 1.00 0.00 C ATOM 1044 CD LYS A 65 -16.016 1.962 -3.244 1.00 0.00 C ATOM 1045 CE LYS A 65 -16.628 2.863 -4.305 1.00 0.00 C ATOM 1046 NZ LYS A 65 -15.585 3.569 -5.102 1.00 0.00 N ATOM 0 H LYS A 65 -16.554 -2.069 -5.886 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.512 -1.915 -3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -17.314 -0.182 -4.819 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.454 -0.130 -3.073 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -14.802 0.193 -3.218 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -15.191 0.770 -4.826 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -16.736 1.803 -2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -15.150 2.454 -2.802 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -17.253 2.268 -4.971 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -17.279 3.596 -3.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -16.042 4.173 -5.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -15.004 4.157 -4.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -14.980 2.870 -5.578 1.00 0.00 H new ATOM 1060 N GLY A 66 -17.281 -3.964 -3.173 1.00 0.00 N ATOM 1061 CA GLY A 66 -18.316 -4.856 -2.686 1.00 0.00 C ATOM 1062 C GLY A 66 -19.585 -4.778 -3.512 1.00 0.00 C ATOM 1063 O GLY A 66 -19.771 -3.842 -4.290 1.00 0.00 O ATOM 0 H GLY A 66 -16.398 -4.419 -3.404 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -17.943 -5.880 -2.695 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -18.545 -4.610 -1.649 1.00 0.00 H new ATOM 1067 N PHE A 67 -20.460 -5.764 -3.344 1.00 0.00 N ATOM 1068 CA PHE A 67 -21.717 -5.805 -4.082 1.00 0.00 C ATOM 1069 C PHE A 67 -22.523 -4.529 -3.854 1.00 0.00 C ATOM 1070 O PHE A 67 -22.838 -3.804 -4.797 1.00 0.00 O ATOM 1071 CB PHE A 67 -22.540 -7.024 -3.661 1.00 0.00 C ATOM 1072 CG PHE A 67 -24.004 -6.894 -3.972 1.00 0.00 C ATOM 1073 CD1 PHE A 67 -24.487 -7.193 -5.236 1.00 0.00 C ATOM 1074 CD2 PHE A 67 -24.898 -6.474 -3.000 1.00 0.00 C ATOM 1075 CE1 PHE A 67 -25.833 -7.074 -5.524 1.00 0.00 C ATOM 1076 CE2 PHE A 67 -26.245 -6.354 -3.282 1.00 0.00 C ATOM 1077 CZ PHE A 67 -26.714 -6.655 -4.546 1.00 0.00 C ATOM 0 H PHE A 67 -20.322 -6.545 -2.703 1.00 0.00 H new ATOM 0 HA PHE A 67 -21.484 -5.882 -5.144 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -22.147 -7.909 -4.162 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -22.417 -7.184 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -23.804 -7.523 -6.005 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -24.537 -6.238 -2.010 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -26.196 -7.309 -6.514 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -26.931 -6.025 -2.515 1.00 0.00 H new ATOM 0 HZ PHE A 67 -27.767 -6.563 -4.769 1.00 0.00 H new ATOM 1087 N MET A 68 -22.854 -4.263 -2.594 1.00 0.00 N ATOM 1088 CA MET A 68 -23.622 -3.075 -2.242 1.00 0.00 C ATOM 1089 C MET A 68 -22.704 -1.957 -1.756 1.00 0.00 C ATOM 1090 O MET A 68 -22.667 -0.874 -2.339 1.00 0.00 O ATOM 1091 CB MET A 68 -24.653 -3.410 -1.161 1.00 0.00 C ATOM 1092 CG MET A 68 -25.619 -2.273 -0.869 1.00 0.00 C ATOM 1093 SD MET A 68 -27.027 -2.797 0.128 1.00 0.00 S ATOM 1094 CE MET A 68 -26.251 -2.997 1.730 1.00 0.00 C ATOM 0 H MET A 68 -22.603 -4.854 -1.801 1.00 0.00 H new ATOM 0 HA MET A 68 -24.142 -2.731 -3.136 1.00 0.00 H new ATOM 0 HB2 MET A 68 -25.221 -4.287 -1.471 1.00 0.00 H new ATOM 0 HB3 MET A 68 -24.130 -3.677 -0.242 1.00 0.00 H new ATOM 0 HG2 MET A 68 -25.088 -1.475 -0.350 1.00 0.00 H new ATOM 0 HG3 MET A 68 -25.980 -1.857 -1.810 1.00 0.00 H new ATOM 0 HE1 MET A 68 -27.003 -3.285 2.465 1.00 0.00 H new ATOM 0 HE2 MET A 68 -25.487 -3.772 1.670 1.00 0.00 H new ATOM 0 HE3 MET A 68 -25.791 -2.056 2.031 1.00 0.00 H new ATOM 1104 N SER A 69 -21.965 -2.228 -0.685 1.00 0.00 N ATOM 1105 CA SER A 69 -21.050 -1.244 -0.119 1.00 0.00 C ATOM 1106 C SER A 69 -20.067 -1.906 0.842 1.00 0.00 C ATOM 1107 O SER A 69 -20.452 -2.727 1.673 1.00 0.00 O ATOM 1108 CB SER A 69 -21.832 -0.149 0.609 1.00 0.00 C ATOM 1109 OG SER A 69 -22.351 0.801 -0.306 1.00 0.00 O ATOM 0 H SER A 69 -21.982 -3.121 -0.192 1.00 0.00 H new ATOM 0 HA SER A 69 -20.486 -0.796 -0.937 1.00 0.00 H new ATOM 0 HB2 SER A 69 -22.648 -0.596 1.176 1.00 0.00 H new ATOM 0 HB3 SER A 69 -21.182 0.351 1.327 1.00 0.00 H new ATOM 0 HG SER A 69 -22.258 0.460 -1.220 1.00 0.00 H new ATOM 1115 N ASN A 70 -18.795 -1.541 0.720 1.00 0.00 N ATOM 1116 CA ASN A 70 -17.755 -2.099 1.577 1.00 0.00 C ATOM 1117 C ASN A 70 -16.836 -1.001 2.103 1.00 0.00 C ATOM 1118 O ASN A 70 -16.891 0.142 1.647 1.00 0.00 O ATOM 1119 CB ASN A 70 -16.937 -3.140 0.809 1.00 0.00 C ATOM 1120 CG ASN A 70 -17.691 -4.442 0.619 1.00 0.00 C ATOM 1121 OD1 ASN A 70 -18.918 -4.480 0.708 1.00 0.00 O ATOM 1122 ND2 ASN A 70 -16.957 -5.517 0.356 1.00 0.00 N ATOM 0 H ASN A 70 -18.460 -0.862 0.037 1.00 0.00 H new ATOM 0 HA ASN A 70 -18.239 -2.581 2.427 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -16.663 -2.736 -0.166 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -16.008 -3.336 1.345 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -17.408 -6.421 0.219 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -15.942 -5.438 0.291 1.00 0.00 H new ATOM 1129 N LYS A 71 -15.990 -1.355 3.064 1.00 0.00 N ATOM 1130 CA LYS A 71 -15.056 -0.401 3.652 1.00 0.00 C ATOM 1131 C LYS A 71 -14.188 0.244 2.577 1.00 0.00 C ATOM 1132 O LYS A 71 -14.327 -0.056 1.390 1.00 0.00 O ATOM 1133 CB LYS A 71 -14.170 -1.096 4.689 1.00 0.00 C ATOM 1134 CG LYS A 71 -14.857 -1.317 6.025 1.00 0.00 C ATOM 1135 CD LYS A 71 -14.318 -2.550 6.732 1.00 0.00 C ATOM 1136 CE LYS A 71 -12.897 -2.330 7.229 1.00 0.00 C ATOM 1137 NZ LYS A 71 -11.888 -2.630 6.176 1.00 0.00 N ATOM 0 H LYS A 71 -15.932 -2.296 3.453 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.635 0.381 4.143 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -13.847 -2.059 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.272 -0.499 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -14.713 -0.441 6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.930 -1.426 5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.964 -2.800 7.573 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.339 -3.400 6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -12.783 -1.297 7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.714 -2.962 8.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.999 -2.933 6.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.243 -3.390 5.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -11.716 -1.777 5.607 1.00 0.00 H new ATOM 1151 N HIS A 72 -13.292 1.131 2.999 1.00 0.00 N ATOM 1152 CA HIS A 72 -12.400 1.817 2.071 1.00 0.00 C ATOM 1153 C HIS A 72 -11.092 1.049 1.908 1.00 0.00 C ATOM 1154 O HIS A 72 -10.306 0.934 2.848 1.00 0.00 O ATOM 1155 CB HIS A 72 -12.114 3.237 2.562 1.00 0.00 C ATOM 1156 CG HIS A 72 -13.249 3.846 3.326 1.00 0.00 C ATOM 1157 ND1 HIS A 72 -14.200 4.656 2.743 1.00 0.00 N ATOM 1158 CD2 HIS A 72 -13.582 3.759 4.635 1.00 0.00 C ATOM 1159 CE1 HIS A 72 -15.069 5.042 3.660 1.00 0.00 C ATOM 1160 NE2 HIS A 72 -14.717 4.511 4.817 1.00 0.00 N ATOM 0 H HIS A 72 -13.165 1.391 3.977 1.00 0.00 H new ATOM 0 HA HIS A 72 -12.894 1.869 1.101 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.227 3.222 3.195 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -11.883 3.869 1.705 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -13.054 3.202 5.395 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -15.922 5.683 3.492 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -15.208 4.639 5.702 1.00 0.00 H new ATOM 1169 N VAL A 73 -10.865 0.525 0.707 1.00 0.00 N ATOM 1170 CA VAL A 73 -9.652 -0.231 0.420 1.00 0.00 C ATOM 1171 C VAL A 73 -9.257 -0.101 -1.046 1.00 0.00 C ATOM 1172 O VAL A 73 -10.070 -0.333 -1.942 1.00 0.00 O ATOM 1173 CB VAL A 73 -9.826 -1.723 0.764 1.00 0.00 C ATOM 1174 CG1 VAL A 73 -11.156 -2.240 0.237 1.00 0.00 C ATOM 1175 CG2 VAL A 73 -8.669 -2.536 0.204 1.00 0.00 C ATOM 0 H VAL A 73 -11.505 0.610 -0.082 1.00 0.00 H new ATOM 0 HA VAL A 73 -8.863 0.188 1.044 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.825 -1.831 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.262 -3.295 0.489 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -11.971 -1.675 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -11.189 -2.121 -0.846 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.808 -3.587 0.456 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -8.636 -2.424 -0.880 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -7.733 -2.180 0.634 1.00 0.00 H new ATOM 1185 N PHE A 74 -8.004 0.271 -1.286 1.00 0.00 N ATOM 1186 CA PHE A 74 -7.501 0.433 -2.645 1.00 0.00 C ATOM 1187 C PHE A 74 -6.452 -0.628 -2.966 1.00 0.00 C ATOM 1188 O PHE A 74 -5.851 -1.215 -2.066 1.00 0.00 O ATOM 1189 CB PHE A 74 -6.902 1.829 -2.827 1.00 0.00 C ATOM 1190 CG PHE A 74 -5.804 2.142 -1.852 1.00 0.00 C ATOM 1191 CD1 PHE A 74 -6.096 2.431 -0.528 1.00 0.00 C ATOM 1192 CD2 PHE A 74 -4.479 2.147 -2.258 1.00 0.00 C ATOM 1193 CE1 PHE A 74 -5.087 2.721 0.371 1.00 0.00 C ATOM 1194 CE2 PHE A 74 -3.466 2.435 -1.363 1.00 0.00 C ATOM 1195 CZ PHE A 74 -3.770 2.722 -0.047 1.00 0.00 C ATOM 0 H PHE A 74 -7.318 0.466 -0.557 1.00 0.00 H new ATOM 0 HA PHE A 74 -8.338 0.312 -3.333 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -6.513 1.919 -3.841 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -7.693 2.572 -2.722 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -7.123 2.430 -0.195 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.235 1.923 -3.286 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.328 2.947 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.438 2.436 -1.693 1.00 0.00 H new ATOM 0 HZ PHE A 74 -2.980 2.947 0.654 1.00 0.00 H new ATOM 1205 N ALA A 75 -6.239 -0.869 -4.255 1.00 0.00 N ATOM 1206 CA ALA A 75 -5.262 -1.858 -4.696 1.00 0.00 C ATOM 1207 C ALA A 75 -4.122 -1.198 -5.464 1.00 0.00 C ATOM 1208 O ALA A 75 -4.308 -0.160 -6.099 1.00 0.00 O ATOM 1209 CB ALA A 75 -5.936 -2.918 -5.555 1.00 0.00 C ATOM 0 H ALA A 75 -6.729 -0.393 -5.012 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.840 -2.336 -3.812 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.195 -3.650 -5.877 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -6.711 -3.418 -4.974 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -6.385 -2.446 -6.429 1.00 0.00 H new ATOM 1215 N ILE A 76 -2.942 -1.807 -5.401 1.00 0.00 N ATOM 1216 CA ILE A 76 -1.772 -1.278 -6.091 1.00 0.00 C ATOM 1217 C ILE A 76 -1.170 -2.319 -7.028 1.00 0.00 C ATOM 1218 O ILE A 76 -0.787 -3.409 -6.600 1.00 0.00 O ATOM 1219 CB ILE A 76 -0.693 -0.815 -5.095 1.00 0.00 C ATOM 1220 CG1 ILE A 76 -1.188 0.395 -4.300 1.00 0.00 C ATOM 1221 CG2 ILE A 76 0.597 -0.482 -5.829 1.00 0.00 C ATOM 1222 CD1 ILE A 76 -0.282 0.773 -3.149 1.00 0.00 C ATOM 0 H ILE A 76 -2.771 -2.667 -4.879 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.109 -0.420 -6.673 1.00 0.00 H new ATOM 0 HB ILE A 76 -0.491 -1.627 -4.397 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.283 1.248 -4.973 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.184 0.182 -3.913 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.350 -0.156 -5.112 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.955 -1.367 -6.355 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.411 0.316 -6.548 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -0.695 1.638 -2.630 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -0.207 -0.064 -2.455 1.00 0.00 H new ATOM 0 HD13 ILE A 76 0.709 1.018 -3.531 1.00 0.00 H new ATOM 1234 N PHE A 77 -1.087 -1.976 -8.309 1.00 0.00 N ATOM 1235 CA PHE A 77 -0.529 -2.881 -9.308 1.00 0.00 C ATOM 1236 C PHE A 77 0.744 -2.301 -9.917 1.00 0.00 C ATOM 1237 O PHE A 77 0.995 -1.100 -9.829 1.00 0.00 O ATOM 1238 CB PHE A 77 -1.556 -3.154 -10.409 1.00 0.00 C ATOM 1239 CG PHE A 77 -1.909 -1.937 -11.216 1.00 0.00 C ATOM 1240 CD1 PHE A 77 -1.144 -1.570 -12.312 1.00 0.00 C ATOM 1241 CD2 PHE A 77 -3.005 -1.159 -10.878 1.00 0.00 C ATOM 1242 CE1 PHE A 77 -1.466 -0.451 -13.055 1.00 0.00 C ATOM 1243 CE2 PHE A 77 -3.332 -0.038 -11.618 1.00 0.00 C ATOM 1244 CZ PHE A 77 -2.562 0.316 -12.708 1.00 0.00 C ATOM 0 H PHE A 77 -1.399 -1.078 -8.680 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.279 -3.819 -8.813 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.165 -3.922 -11.077 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.463 -3.556 -9.957 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.286 -2.166 -12.588 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.611 -1.432 -10.026 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.862 -0.176 -13.907 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -4.189 0.560 -11.344 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.816 1.191 -13.288 1.00 0.00 H new ATOM 1254 N ASN A 78 1.544 -3.164 -10.535 1.00 0.00 N ATOM 1255 CA ASN A 78 2.792 -2.738 -11.158 1.00 0.00 C ATOM 1256 C ASN A 78 2.566 -2.345 -12.615 1.00 0.00 C ATOM 1257 O ASN A 78 2.261 -3.189 -13.458 1.00 0.00 O ATOM 1258 CB ASN A 78 3.834 -3.855 -11.076 1.00 0.00 C ATOM 1259 CG ASN A 78 5.237 -3.359 -11.366 1.00 0.00 C ATOM 1260 OD1 ASN A 78 5.430 -2.432 -12.153 1.00 0.00 O ATOM 1261 ND2 ASN A 78 6.226 -3.976 -10.730 1.00 0.00 N ATOM 0 H ASN A 78 1.350 -4.162 -10.618 1.00 0.00 H new ATOM 0 HA ASN A 78 3.160 -1.866 -10.617 1.00 0.00 H new ATOM 0 HB2 ASN A 78 3.807 -4.301 -10.082 1.00 0.00 H new ATOM 0 HB3 ASN A 78 3.576 -4.642 -11.785 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.192 -3.686 -10.885 1.00 0.00 H new ATOM 0 HD22 ASN A 78 6.020 -4.740 -10.086 1.00 0.00 H new ATOM 1268 N THR A 79 2.718 -1.056 -12.905 1.00 0.00 N ATOM 1269 CA THR A 79 2.531 -0.550 -14.259 1.00 0.00 C ATOM 1270 C THR A 79 3.166 -1.480 -15.286 1.00 0.00 C ATOM 1271 O THR A 79 2.670 -1.615 -16.404 1.00 0.00 O ATOM 1272 CB THR A 79 3.130 0.860 -14.419 1.00 0.00 C ATOM 1273 OG1 THR A 79 4.506 0.855 -14.023 1.00 0.00 O ATOM 1274 CG2 THR A 79 2.361 1.873 -13.586 1.00 0.00 C ATOM 0 H THR A 79 2.970 -0.344 -12.220 1.00 0.00 H new ATOM 0 HA THR A 79 1.456 -0.502 -14.433 1.00 0.00 H new ATOM 0 HB THR A 79 3.055 1.146 -15.468 1.00 0.00 H new ATOM 0 HG1 THR A 79 4.880 1.754 -14.129 1.00 0.00 H new ATOM 0 HG21 THR A 79 2.803 2.861 -13.716 1.00 0.00 H new ATOM 0 HG22 THR A 79 1.320 1.895 -13.910 1.00 0.00 H new ATOM 0 HG23 THR A 79 2.408 1.590 -12.534 1.00 0.00 H new ATOM 1282 N GLU A 80 4.266 -2.118 -14.900 1.00 0.00 N ATOM 1283 CA GLU A 80 4.968 -3.036 -15.789 1.00 0.00 C ATOM 1284 C GLU A 80 4.332 -4.422 -15.753 1.00 0.00 C ATOM 1285 O GLU A 80 3.357 -4.650 -15.038 1.00 0.00 O ATOM 1286 CB GLU A 80 6.445 -3.130 -15.399 1.00 0.00 C ATOM 1287 CG GLU A 80 7.169 -1.795 -15.433 1.00 0.00 C ATOM 1288 CD GLU A 80 7.402 -1.293 -16.845 1.00 0.00 C ATOM 1289 OE1 GLU A 80 6.444 -0.774 -17.455 1.00 0.00 O ATOM 1290 OE2 GLU A 80 8.541 -1.419 -17.340 1.00 0.00 O ATOM 0 H GLU A 80 4.690 -2.016 -13.978 1.00 0.00 H new ATOM 0 HA GLU A 80 4.892 -2.647 -16.804 1.00 0.00 H new ATOM 0 HB2 GLU A 80 6.521 -3.550 -14.396 1.00 0.00 H new ATOM 0 HB3 GLU A 80 6.947 -3.823 -16.074 1.00 0.00 H new ATOM 0 HG2 GLU A 80 6.588 -1.057 -14.880 1.00 0.00 H new ATOM 0 HG3 GLU A 80 8.128 -1.893 -14.923 1.00 0.00 H new ATOM 1297 N GLN A 81 4.892 -5.344 -16.530 1.00 0.00 N ATOM 1298 CA GLN A 81 4.379 -6.708 -16.588 1.00 0.00 C ATOM 1299 C GLN A 81 5.078 -7.596 -15.564 1.00 0.00 C ATOM 1300 O GLN A 81 5.767 -8.551 -15.924 1.00 0.00 O ATOM 1301 CB GLN A 81 4.564 -7.285 -17.992 1.00 0.00 C ATOM 1302 CG GLN A 81 5.978 -7.140 -18.529 1.00 0.00 C ATOM 1303 CD GLN A 81 6.219 -7.972 -19.773 1.00 0.00 C ATOM 1304 OE1 GLN A 81 5.285 -8.528 -20.352 1.00 0.00 O ATOM 1305 NE2 GLN A 81 7.476 -8.063 -20.191 1.00 0.00 N ATOM 0 H GLN A 81 5.700 -5.171 -17.128 1.00 0.00 H new ATOM 0 HA GLN A 81 3.315 -6.680 -16.352 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.296 -8.341 -17.980 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.873 -6.789 -18.673 1.00 0.00 H new ATOM 0 HG2 GLN A 81 6.171 -6.091 -18.755 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.688 -7.435 -17.756 1.00 0.00 H new ATOM 0 HE21 GLN A 81 8.219 -7.586 -19.681 1.00 0.00 H new ATOM 0 HE22 GLN A 81 7.699 -8.610 -21.023 1.00 0.00 H new ATOM 1314 N ARG A 82 4.896 -7.276 -14.287 1.00 0.00 N ATOM 1315 CA ARG A 82 5.511 -8.044 -13.211 1.00 0.00 C ATOM 1316 C ARG A 82 4.585 -8.120 -12.001 1.00 0.00 C ATOM 1317 O ARG A 82 3.476 -7.589 -12.020 1.00 0.00 O ATOM 1318 CB ARG A 82 6.846 -7.417 -12.807 1.00 0.00 C ATOM 1319 CG ARG A 82 8.032 -7.951 -13.594 1.00 0.00 C ATOM 1320 CD ARG A 82 9.331 -7.289 -13.160 1.00 0.00 C ATOM 1321 NE ARG A 82 10.323 -7.277 -14.232 1.00 0.00 N ATOM 1322 CZ ARG A 82 11.364 -6.452 -14.261 1.00 0.00 C ATOM 1323 NH1 ARG A 82 11.547 -5.577 -13.282 1.00 0.00 N ATOM 1324 NH2 ARG A 82 12.223 -6.501 -15.270 1.00 0.00 N ATOM 0 H ARG A 82 4.327 -6.490 -13.972 1.00 0.00 H new ATOM 0 HA ARG A 82 5.689 -9.056 -13.575 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.787 -6.337 -12.943 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.015 -7.596 -11.745 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.107 -9.029 -13.454 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.872 -7.778 -14.658 1.00 0.00 H new ATOM 0 HD2 ARG A 82 9.128 -6.266 -12.842 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.736 -7.817 -12.297 1.00 0.00 H new ATOM 0 HE ARG A 82 10.210 -7.938 -15.000 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.888 -5.536 -12.505 1.00 0.00 H new ATOM 0 HH12 ARG A 82 12.347 -4.945 -13.306 1.00 0.00 H new ATOM 0 HH21 ARG A 82 12.085 -7.173 -16.025 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.022 -5.867 -15.291 1.00 0.00 H new ATOM 1338 N ASN A 83 5.049 -8.786 -10.948 1.00 0.00 N ATOM 1339 CA ASN A 83 4.263 -8.933 -9.729 1.00 0.00 C ATOM 1340 C ASN A 83 4.736 -7.957 -8.656 1.00 0.00 C ATOM 1341 O ASN A 83 5.854 -8.065 -8.152 1.00 0.00 O ATOM 1342 CB ASN A 83 4.357 -10.368 -9.206 1.00 0.00 C ATOM 1343 CG ASN A 83 5.789 -10.862 -9.127 1.00 0.00 C ATOM 1344 OD1 ASN A 83 6.560 -10.429 -8.270 1.00 0.00 O ATOM 1345 ND2 ASN A 83 6.151 -11.772 -10.023 1.00 0.00 N ATOM 0 H ASN A 83 5.966 -9.232 -10.915 1.00 0.00 H new ATOM 0 HA ASN A 83 3.224 -8.708 -9.967 1.00 0.00 H new ATOM 0 HB2 ASN A 83 3.902 -10.422 -8.217 1.00 0.00 H new ATOM 0 HB3 ASN A 83 3.783 -11.028 -9.857 1.00 0.00 H new ATOM 0 HD21 ASN A 83 7.102 -12.141 -10.019 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.478 -12.102 -10.715 1.00 0.00 H new ATOM 1352 N VAL A 84 3.876 -7.005 -8.309 1.00 0.00 N ATOM 1353 CA VAL A 84 4.204 -6.011 -7.295 1.00 0.00 C ATOM 1354 C VAL A 84 4.640 -6.676 -5.994 1.00 0.00 C ATOM 1355 O VAL A 84 5.501 -6.162 -5.280 1.00 0.00 O ATOM 1356 CB VAL A 84 3.007 -5.084 -7.009 1.00 0.00 C ATOM 1357 CG1 VAL A 84 1.857 -5.871 -6.398 1.00 0.00 C ATOM 1358 CG2 VAL A 84 3.425 -3.941 -6.097 1.00 0.00 C ATOM 0 H VAL A 84 2.946 -6.901 -8.716 1.00 0.00 H new ATOM 0 HA VAL A 84 5.028 -5.417 -7.690 1.00 0.00 H new ATOM 0 HB VAL A 84 2.665 -4.659 -7.953 1.00 0.00 H new ATOM 0 HG11 VAL A 84 1.020 -5.200 -6.203 1.00 0.00 H new ATOM 0 HG12 VAL A 84 1.542 -6.652 -7.090 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.184 -6.326 -5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.567 -3.296 -5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.794 -4.344 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.214 -3.362 -6.577 1.00 0.00 H new ATOM 1368 N TYR A 85 4.040 -7.822 -5.692 1.00 0.00 N ATOM 1369 CA TYR A 85 4.365 -8.557 -4.476 1.00 0.00 C ATOM 1370 C TYR A 85 4.899 -9.948 -4.807 1.00 0.00 C ATOM 1371 O TYR A 85 4.986 -10.332 -5.973 1.00 0.00 O ATOM 1372 CB TYR A 85 3.131 -8.672 -3.580 1.00 0.00 C ATOM 1373 CG TYR A 85 3.459 -8.971 -2.134 1.00 0.00 C ATOM 1374 CD1 TYR A 85 4.342 -8.170 -1.421 1.00 0.00 C ATOM 1375 CD2 TYR A 85 2.886 -10.056 -1.481 1.00 0.00 C ATOM 1376 CE1 TYR A 85 4.645 -8.440 -0.101 1.00 0.00 C ATOM 1377 CE2 TYR A 85 3.182 -10.332 -0.161 1.00 0.00 C ATOM 1378 CZ TYR A 85 4.062 -9.522 0.525 1.00 0.00 C ATOM 1379 OH TYR A 85 4.361 -9.795 1.841 1.00 0.00 O ATOM 0 H TYR A 85 3.326 -8.262 -6.273 1.00 0.00 H new ATOM 0 HA TYR A 85 5.141 -8.006 -3.945 1.00 0.00 H new ATOM 0 HB2 TYR A 85 2.567 -7.741 -3.631 1.00 0.00 H new ATOM 0 HB3 TYR A 85 2.483 -9.458 -3.967 1.00 0.00 H new ATOM 0 HD1 TYR A 85 4.800 -7.321 -1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 85 2.198 -10.694 -2.015 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.335 -7.807 0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 85 2.726 -11.178 0.332 1.00 0.00 H new ATOM 0 HH TYR A 85 3.866 -10.590 2.131 1.00 0.00 H new ATOM 1389 N LYS A 86 5.253 -10.700 -3.770 1.00 0.00 N ATOM 1390 CA LYS A 86 5.777 -12.049 -3.947 1.00 0.00 C ATOM 1391 C LYS A 86 5.032 -12.780 -5.059 1.00 0.00 C ATOM 1392 O LYS A 86 5.635 -13.220 -6.039 1.00 0.00 O ATOM 1393 CB LYS A 86 5.664 -12.837 -2.640 1.00 0.00 C ATOM 1394 CG LYS A 86 6.405 -12.198 -1.479 1.00 0.00 C ATOM 1395 CD LYS A 86 6.610 -13.182 -0.338 1.00 0.00 C ATOM 1396 CE LYS A 86 5.439 -13.162 0.632 1.00 0.00 C ATOM 1397 NZ LYS A 86 4.322 -14.033 0.171 1.00 0.00 N ATOM 0 H LYS A 86 5.186 -10.398 -2.798 1.00 0.00 H new ATOM 0 HA LYS A 86 6.827 -11.970 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.611 -12.938 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 86 6.052 -13.844 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.372 -11.830 -1.822 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.845 -11.335 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.733 -14.187 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.529 -12.937 0.194 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.776 -13.493 1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.079 -12.139 0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 3.445 -13.476 0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 4.544 -14.413 -0.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 4.196 -14.819 0.840 1.00 0.00 H new ATOM 1411 N ASP A 87 3.719 -12.906 -4.903 1.00 0.00 N ATOM 1412 CA ASP A 87 2.891 -13.581 -5.896 1.00 0.00 C ATOM 1413 C ASP A 87 1.687 -12.725 -6.272 1.00 0.00 C ATOM 1414 O ASP A 87 1.237 -12.737 -7.419 1.00 0.00 O ATOM 1415 CB ASP A 87 2.423 -14.937 -5.363 1.00 0.00 C ATOM 1416 CG ASP A 87 3.538 -15.709 -4.686 1.00 0.00 C ATOM 1417 OD1 ASP A 87 3.932 -15.322 -3.566 1.00 0.00 O ATOM 1418 OD2 ASP A 87 4.017 -16.701 -5.275 1.00 0.00 O ATOM 0 H ASP A 87 3.205 -12.549 -4.098 1.00 0.00 H new ATOM 0 HA ASP A 87 3.494 -13.739 -6.790 1.00 0.00 H new ATOM 0 HB2 ASP A 87 1.609 -14.784 -4.655 1.00 0.00 H new ATOM 0 HB3 ASP A 87 2.023 -15.529 -6.186 1.00 0.00 H new ATOM 1423 N LEU A 88 1.167 -11.984 -5.300 1.00 0.00 N ATOM 1424 CA LEU A 88 0.013 -11.122 -5.529 1.00 0.00 C ATOM 1425 C LEU A 88 0.287 -10.133 -6.657 1.00 0.00 C ATOM 1426 O LEU A 88 1.291 -9.420 -6.641 1.00 0.00 O ATOM 1427 CB LEU A 88 -0.346 -10.365 -4.248 1.00 0.00 C ATOM 1428 CG LEU A 88 -0.492 -11.215 -2.986 1.00 0.00 C ATOM 1429 CD1 LEU A 88 -0.298 -10.362 -1.742 1.00 0.00 C ATOM 1430 CD2 LEU A 88 -1.851 -11.899 -2.958 1.00 0.00 C ATOM 0 H LEU A 88 1.526 -11.963 -4.346 1.00 0.00 H new ATOM 0 HA LEU A 88 -0.828 -11.752 -5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.421 -9.611 -4.068 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.283 -9.833 -4.414 1.00 0.00 H new ATOM 0 HG LEU A 88 0.280 -11.984 -2.998 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -0.406 -10.984 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 88 0.698 -9.919 -1.756 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.047 -9.570 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -1.937 -12.500 -2.053 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.638 -11.145 -2.970 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -1.952 -12.543 -3.832 1.00 0.00 H new ATOM 1442 N ARG A 89 -0.613 -10.093 -7.635 1.00 0.00 N ATOM 1443 CA ARG A 89 -0.468 -9.191 -8.770 1.00 0.00 C ATOM 1444 C ARG A 89 -0.636 -7.738 -8.335 1.00 0.00 C ATOM 1445 O ARG A 89 -0.124 -6.824 -8.981 1.00 0.00 O ATOM 1446 CB ARG A 89 -1.493 -9.531 -9.853 1.00 0.00 C ATOM 1447 CG ARG A 89 -1.432 -8.611 -11.061 1.00 0.00 C ATOM 1448 CD ARG A 89 -2.752 -8.593 -11.816 1.00 0.00 C ATOM 1449 NE ARG A 89 -2.700 -7.726 -12.990 1.00 0.00 N ATOM 1450 CZ ARG A 89 -3.752 -7.461 -13.755 1.00 0.00 C ATOM 1451 NH1 ARG A 89 -4.933 -7.992 -13.471 1.00 0.00 N ATOM 1452 NH2 ARG A 89 -3.625 -6.662 -14.807 1.00 0.00 N ATOM 0 H ARG A 89 -1.450 -10.675 -7.663 1.00 0.00 H new ATOM 0 HA ARG A 89 0.536 -9.317 -9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.335 -10.558 -10.181 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -2.493 -9.485 -9.422 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -1.183 -7.600 -10.738 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.634 -8.938 -11.728 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -3.006 -9.607 -12.125 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -3.546 -8.254 -11.150 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.806 -7.301 -13.236 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -5.035 -8.606 -12.663 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -5.740 -7.787 -14.061 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.718 -6.251 -15.029 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -4.434 -6.459 -15.394 1.00 0.00 H new ATOM 1466 N GLN A 90 -1.356 -7.534 -7.237 1.00 0.00 N ATOM 1467 CA GLN A 90 -1.592 -6.192 -6.717 1.00 0.00 C ATOM 1468 C GLN A 90 -1.822 -6.225 -5.210 1.00 0.00 C ATOM 1469 O GLN A 90 -2.636 -7.004 -4.713 1.00 0.00 O ATOM 1470 CB GLN A 90 -2.796 -5.556 -7.414 1.00 0.00 C ATOM 1471 CG GLN A 90 -4.019 -6.458 -7.461 1.00 0.00 C ATOM 1472 CD GLN A 90 -5.222 -5.777 -8.082 1.00 0.00 C ATOM 1473 OE1 GLN A 90 -5.093 -5.015 -9.040 1.00 0.00 O ATOM 1474 NE2 GLN A 90 -6.403 -6.050 -7.538 1.00 0.00 N ATOM 0 H GLN A 90 -1.786 -8.280 -6.690 1.00 0.00 H new ATOM 0 HA GLN A 90 -0.705 -5.591 -6.918 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.057 -4.631 -6.899 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.515 -5.286 -8.432 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -3.781 -7.357 -8.030 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.269 -6.778 -6.449 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.464 -6.688 -6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -7.249 -5.622 -7.914 1.00 0.00 H new ATOM 1483 N ILE A 91 -1.100 -5.376 -4.487 1.00 0.00 N ATOM 1484 CA ILE A 91 -1.226 -5.308 -3.037 1.00 0.00 C ATOM 1485 C ILE A 91 -2.386 -4.407 -2.627 1.00 0.00 C ATOM 1486 O ILE A 91 -2.449 -3.243 -3.021 1.00 0.00 O ATOM 1487 CB ILE A 91 0.068 -4.788 -2.383 1.00 0.00 C ATOM 1488 CG1 ILE A 91 1.245 -5.701 -2.733 1.00 0.00 C ATOM 1489 CG2 ILE A 91 -0.103 -4.691 -0.874 1.00 0.00 C ATOM 1490 CD1 ILE A 91 2.595 -5.085 -2.444 1.00 0.00 C ATOM 0 H ILE A 91 -0.421 -4.725 -4.882 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.417 -6.323 -2.690 1.00 0.00 H new ATOM 0 HB ILE A 91 0.278 -3.791 -2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 91 1.152 -6.631 -2.172 1.00 0.00 H new ATOM 0 HG13 ILE A 91 1.192 -5.959 -3.791 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.820 -4.322 -0.426 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.918 -4.005 -0.644 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.334 -5.677 -0.470 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.382 -5.788 -2.717 1.00 0.00 H new ATOM 0 HD12 ILE A 91 2.709 -4.170 -3.025 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.669 -4.852 -1.382 1.00 0.00 H new ATOM 1502 N GLU A 92 -3.302 -4.954 -1.834 1.00 0.00 N ATOM 1503 CA GLU A 92 -4.460 -4.198 -1.370 1.00 0.00 C ATOM 1504 C GLU A 92 -4.211 -3.620 0.020 1.00 0.00 C ATOM 1505 O GLU A 92 -3.501 -4.213 0.834 1.00 0.00 O ATOM 1506 CB GLU A 92 -5.703 -5.090 -1.350 1.00 0.00 C ATOM 1507 CG GLU A 92 -6.251 -5.402 -2.732 1.00 0.00 C ATOM 1508 CD GLU A 92 -7.417 -6.371 -2.692 1.00 0.00 C ATOM 1509 OE1 GLU A 92 -7.171 -7.595 -2.727 1.00 0.00 O ATOM 1510 OE2 GLU A 92 -8.574 -5.906 -2.625 1.00 0.00 O ATOM 0 H GLU A 92 -3.265 -5.917 -1.500 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.625 -3.373 -2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -5.461 -6.025 -0.845 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -6.480 -4.602 -0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -6.569 -4.476 -3.210 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -5.456 -5.822 -3.348 1.00 0.00 H new ATOM 1517 N LEU A 93 -4.800 -2.459 0.285 1.00 0.00 N ATOM 1518 CA LEU A 93 -4.643 -1.800 1.577 1.00 0.00 C ATOM 1519 C LEU A 93 -5.972 -1.231 2.063 1.00 0.00 C ATOM 1520 O LEU A 93 -6.568 -0.375 1.410 1.00 0.00 O ATOM 1521 CB LEU A 93 -3.603 -0.682 1.478 1.00 0.00 C ATOM 1522 CG LEU A 93 -2.247 -1.077 0.891 1.00 0.00 C ATOM 1523 CD1 LEU A 93 -1.511 0.149 0.375 1.00 0.00 C ATOM 1524 CD2 LEU A 93 -1.409 -1.808 1.929 1.00 0.00 C ATOM 0 H LEU A 93 -5.390 -1.955 -0.377 1.00 0.00 H new ATOM 0 HA LEU A 93 -4.302 -2.543 2.297 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -4.019 0.122 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -3.440 -0.275 2.476 1.00 0.00 H new ATOM 0 HG LEU A 93 -2.418 -1.751 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -0.549 -0.152 -0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -2.105 0.630 -0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -1.351 0.849 1.195 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -0.448 -2.081 1.494 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -1.246 -1.158 2.789 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -1.932 -2.709 2.249 1.00 0.00 H new ATOM 1536 N ALA A 94 -6.430 -1.711 3.214 1.00 0.00 N ATOM 1537 CA ALA A 94 -7.686 -1.247 3.790 1.00 0.00 C ATOM 1538 C ALA A 94 -7.448 -0.129 4.798 1.00 0.00 C ATOM 1539 O ALA A 94 -6.481 -0.163 5.561 1.00 0.00 O ATOM 1540 CB ALA A 94 -8.425 -2.404 4.447 1.00 0.00 C ATOM 0 H ALA A 94 -5.950 -2.421 3.766 1.00 0.00 H new ATOM 0 HA ALA A 94 -8.301 -0.848 2.983 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -9.361 -2.043 4.873 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -8.637 -3.170 3.702 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -7.807 -2.829 5.238 1.00 0.00 H new ATOM 1546 N CYS A 95 -8.334 0.861 4.797 1.00 0.00 N ATOM 1547 CA CYS A 95 -8.219 1.992 5.711 1.00 0.00 C ATOM 1548 C CYS A 95 -9.389 2.021 6.689 1.00 0.00 C ATOM 1549 O CYS A 95 -10.279 1.172 6.633 1.00 0.00 O ATOM 1550 CB CYS A 95 -8.160 3.304 4.928 1.00 0.00 C ATOM 1551 SG CYS A 95 -6.509 3.732 4.329 1.00 0.00 S ATOM 0 H CYS A 95 -9.140 0.903 4.173 1.00 0.00 H new ATOM 0 HA CYS A 95 -7.296 1.876 6.280 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -8.838 3.238 4.077 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -8.525 4.111 5.564 1.00 0.00 H new ATOM 0 HG CYS A 95 -6.562 4.856 3.678 1.00 0.00 H new ATOM 1557 N ASP A 96 -9.380 3.002 7.585 1.00 0.00 N ATOM 1558 CA ASP A 96 -10.441 3.142 8.576 1.00 0.00 C ATOM 1559 C ASP A 96 -11.608 3.947 8.013 1.00 0.00 C ATOM 1560 O ASP A 96 -12.765 3.543 8.127 1.00 0.00 O ATOM 1561 CB ASP A 96 -9.902 3.817 9.839 1.00 0.00 C ATOM 1562 CG ASP A 96 -8.792 3.018 10.493 1.00 0.00 C ATOM 1563 OD1 ASP A 96 -9.080 1.923 11.019 1.00 0.00 O ATOM 1564 OD2 ASP A 96 -7.635 3.489 10.480 1.00 0.00 O ATOM 0 H ASP A 96 -8.650 3.712 7.645 1.00 0.00 H new ATOM 0 HA ASP A 96 -10.800 2.145 8.831 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -9.531 4.810 9.586 1.00 0.00 H new ATOM 0 HB3 ASP A 96 -10.716 3.953 10.551 1.00 0.00 H new ATOM 1569 N SER A 97 -11.296 5.088 7.407 1.00 0.00 N ATOM 1570 CA SER A 97 -12.319 5.952 6.830 1.00 0.00 C ATOM 1571 C SER A 97 -11.783 6.687 5.606 1.00 0.00 C ATOM 1572 O SER A 97 -10.573 6.754 5.390 1.00 0.00 O ATOM 1573 CB SER A 97 -12.811 6.960 7.871 1.00 0.00 C ATOM 1574 OG SER A 97 -13.889 6.432 8.624 1.00 0.00 O ATOM 0 H SER A 97 -10.343 5.436 7.303 1.00 0.00 H new ATOM 0 HA SER A 97 -13.155 5.326 6.518 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.992 7.226 8.540 1.00 0.00 H new ATOM 0 HB3 SER A 97 -13.126 7.877 7.373 1.00 0.00 H new ATOM 0 HG SER A 97 -13.818 5.455 8.657 1.00 0.00 H new ATOM 1580 N GLN A 98 -12.692 7.238 4.809 1.00 0.00 N ATOM 1581 CA GLN A 98 -12.311 7.969 3.606 1.00 0.00 C ATOM 1582 C GLN A 98 -11.163 8.931 3.894 1.00 0.00 C ATOM 1583 O GLN A 98 -10.174 8.968 3.162 1.00 0.00 O ATOM 1584 CB GLN A 98 -13.510 8.739 3.050 1.00 0.00 C ATOM 1585 CG GLN A 98 -14.333 7.943 2.050 1.00 0.00 C ATOM 1586 CD GLN A 98 -13.727 7.947 0.660 1.00 0.00 C ATOM 1587 OE1 GLN A 98 -13.840 8.927 -0.076 1.00 0.00 O ATOM 1588 NE2 GLN A 98 -13.078 6.848 0.294 1.00 0.00 N ATOM 0 H GLN A 98 -13.697 7.192 4.974 1.00 0.00 H new ATOM 0 HA GLN A 98 -11.977 7.245 2.863 1.00 0.00 H new ATOM 0 HB2 GLN A 98 -14.152 9.042 3.877 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -13.155 9.652 2.571 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -14.426 6.914 2.399 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -15.341 8.356 2.004 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -13.009 6.059 0.936 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -12.649 6.793 -0.630 1.00 0.00 H new ATOM 1597 N GLU A 99 -11.302 9.707 4.964 1.00 0.00 N ATOM 1598 CA GLU A 99 -10.277 10.670 5.347 1.00 0.00 C ATOM 1599 C GLU A 99 -8.881 10.088 5.145 1.00 0.00 C ATOM 1600 O GLU A 99 -8.023 10.708 4.516 1.00 0.00 O ATOM 1601 CB GLU A 99 -10.459 11.089 6.807 1.00 0.00 C ATOM 1602 CG GLU A 99 -11.758 11.834 7.069 1.00 0.00 C ATOM 1603 CD GLU A 99 -11.679 13.297 6.680 1.00 0.00 C ATOM 1604 OE1 GLU A 99 -11.799 13.599 5.475 1.00 0.00 O ATOM 1605 OE2 GLU A 99 -11.499 14.142 7.583 1.00 0.00 O ATOM 0 H GLU A 99 -12.114 9.687 5.581 1.00 0.00 H new ATOM 0 HA GLU A 99 -10.383 11.547 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -10.426 10.201 7.438 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -9.621 11.721 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -12.565 11.357 6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -12.010 11.756 8.126 1.00 0.00 H new ATOM 1612 N ASP A 100 -8.661 8.893 5.682 1.00 0.00 N ATOM 1613 CA ASP A 100 -7.370 8.225 5.560 1.00 0.00 C ATOM 1614 C ASP A 100 -7.024 7.975 4.096 1.00 0.00 C ATOM 1615 O ASP A 100 -5.970 8.393 3.616 1.00 0.00 O ATOM 1616 CB ASP A 100 -7.382 6.902 6.327 1.00 0.00 C ATOM 1617 CG ASP A 100 -7.552 7.100 7.821 1.00 0.00 C ATOM 1618 OD1 ASP A 100 -6.596 7.578 8.469 1.00 0.00 O ATOM 1619 OD2 ASP A 100 -8.640 6.779 8.342 1.00 0.00 O ATOM 0 H ASP A 100 -9.360 8.367 6.206 1.00 0.00 H new ATOM 0 HA ASP A 100 -6.609 8.877 5.988 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -8.191 6.275 5.952 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -6.451 6.367 6.138 1.00 0.00 H new ATOM 1624 N VAL A 101 -7.917 7.290 3.390 1.00 0.00 N ATOM 1625 CA VAL A 101 -7.706 6.984 1.980 1.00 0.00 C ATOM 1626 C VAL A 101 -7.403 8.248 1.183 1.00 0.00 C ATOM 1627 O VAL A 101 -6.286 8.436 0.700 1.00 0.00 O ATOM 1628 CB VAL A 101 -8.935 6.286 1.367 1.00 0.00 C ATOM 1629 CG1 VAL A 101 -8.666 5.905 -0.081 1.00 0.00 C ATOM 1630 CG2 VAL A 101 -9.317 5.063 2.187 1.00 0.00 C ATOM 0 H VAL A 101 -8.794 6.936 3.771 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.851 6.310 1.927 1.00 0.00 H new ATOM 0 HB VAL A 101 -9.773 6.983 1.384 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -9.545 5.413 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -8.445 6.803 -0.658 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -7.815 5.226 -0.126 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -10.187 4.582 1.740 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -8.483 4.361 2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -9.555 5.368 3.206 1.00 0.00 H new ATOM 1640 N ASP A 102 -8.404 9.111 1.050 1.00 0.00 N ATOM 1641 CA ASP A 102 -8.244 10.359 0.312 1.00 0.00 C ATOM 1642 C ASP A 102 -6.857 10.951 0.540 1.00 0.00 C ATOM 1643 O ASP A 102 -6.203 11.406 -0.399 1.00 0.00 O ATOM 1644 CB ASP A 102 -9.317 11.365 0.732 1.00 0.00 C ATOM 1645 CG ASP A 102 -9.610 12.385 -0.351 1.00 0.00 C ATOM 1646 OD1 ASP A 102 -8.647 12.917 -0.941 1.00 0.00 O ATOM 1647 OD2 ASP A 102 -10.803 12.651 -0.608 1.00 0.00 O ATOM 0 H ASP A 102 -9.334 8.970 1.443 1.00 0.00 H new ATOM 0 HA ASP A 102 -8.356 10.142 -0.750 1.00 0.00 H new ATOM 0 HB2 ASP A 102 -10.234 10.831 0.982 1.00 0.00 H new ATOM 0 HB3 ASP A 102 -8.993 11.882 1.635 1.00 0.00 H new ATOM 1652 N SER A 103 -6.413 10.942 1.793 1.00 0.00 N ATOM 1653 CA SER A 103 -5.105 11.483 2.145 1.00 0.00 C ATOM 1654 C SER A 103 -3.988 10.656 1.515 1.00 0.00 C ATOM 1655 O SER A 103 -3.086 11.196 0.875 1.00 0.00 O ATOM 1656 CB SER A 103 -4.936 11.516 3.665 1.00 0.00 C ATOM 1657 OG SER A 103 -3.801 12.280 4.035 1.00 0.00 O ATOM 0 H SER A 103 -6.940 10.566 2.581 1.00 0.00 H new ATOM 0 HA SER A 103 -5.043 12.500 1.758 1.00 0.00 H new ATOM 0 HB2 SER A 103 -5.829 11.940 4.124 1.00 0.00 H new ATOM 0 HB3 SER A 103 -4.834 10.499 4.045 1.00 0.00 H new ATOM 0 HG SER A 103 -3.954 12.690 4.912 1.00 0.00 H new ATOM 1663 N TRP A 104 -4.057 9.343 1.701 1.00 0.00 N ATOM 1664 CA TRP A 104 -3.051 8.440 1.151 1.00 0.00 C ATOM 1665 C TRP A 104 -2.872 8.671 -0.345 1.00 0.00 C ATOM 1666 O TRP A 104 -1.785 9.024 -0.803 1.00 0.00 O ATOM 1667 CB TRP A 104 -3.446 6.985 1.411 1.00 0.00 C ATOM 1668 CG TRP A 104 -3.002 6.480 2.751 1.00 0.00 C ATOM 1669 CD1 TRP A 104 -3.795 6.220 3.833 1.00 0.00 C ATOM 1670 CD2 TRP A 104 -1.662 6.175 3.151 1.00 0.00 C ATOM 1671 NE1 TRP A 104 -3.027 5.773 4.881 1.00 0.00 N ATOM 1672 CE2 TRP A 104 -1.716 5.735 4.488 1.00 0.00 C ATOM 1673 CE3 TRP A 104 -0.422 6.229 2.509 1.00 0.00 C ATOM 1674 CZ2 TRP A 104 -0.577 5.354 5.192 1.00 0.00 C ATOM 1675 CZ3 TRP A 104 0.708 5.850 3.209 1.00 0.00 C ATOM 1676 CH2 TRP A 104 0.624 5.416 4.539 1.00 0.00 C ATOM 0 H TRP A 104 -4.798 8.880 2.228 1.00 0.00 H new ATOM 0 HA TRP A 104 -2.103 8.646 1.647 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -4.529 6.891 1.336 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -3.017 6.355 0.632 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -4.867 6.347 3.860 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -3.377 5.512 5.803 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -0.348 6.561 1.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -0.639 5.021 6.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 1.672 5.889 2.723 1.00 0.00 H new ATOM 0 HH2 TRP A 104 1.525 5.125 5.059 1.00 0.00 H new ATOM 1687 N LYS A 105 -3.945 8.470 -1.103 1.00 0.00 N ATOM 1688 CA LYS A 105 -3.907 8.658 -2.549 1.00 0.00 C ATOM 1689 C LYS A 105 -3.264 9.994 -2.907 1.00 0.00 C ATOM 1690 O LYS A 105 -2.362 10.055 -3.742 1.00 0.00 O ATOM 1691 CB LYS A 105 -5.321 8.588 -3.130 1.00 0.00 C ATOM 1692 CG LYS A 105 -5.911 7.189 -3.126 1.00 0.00 C ATOM 1693 CD LYS A 105 -7.371 7.199 -3.548 1.00 0.00 C ATOM 1694 CE LYS A 105 -7.772 5.884 -4.199 1.00 0.00 C ATOM 1695 NZ LYS A 105 -9.246 5.789 -4.394 1.00 0.00 N ATOM 0 H LYS A 105 -4.852 8.177 -0.740 1.00 0.00 H new ATOM 0 HA LYS A 105 -3.304 7.858 -2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -5.973 9.250 -2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -5.303 8.963 -4.153 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -5.341 6.551 -3.801 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -5.822 6.758 -2.129 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -8.001 7.382 -2.678 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -7.544 8.019 -4.245 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -7.271 5.788 -5.162 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -7.433 5.054 -3.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -9.479 4.879 -4.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -9.723 5.855 -3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -9.566 6.567 -5.006 1.00 0.00 H new ATOM 1709 N ALA A 106 -3.733 11.061 -2.269 1.00 0.00 N ATOM 1710 CA ALA A 106 -3.201 12.395 -2.518 1.00 0.00 C ATOM 1711 C ALA A 106 -1.724 12.476 -2.145 1.00 0.00 C ATOM 1712 O ALA A 106 -0.955 13.206 -2.770 1.00 0.00 O ATOM 1713 CB ALA A 106 -3.999 13.435 -1.746 1.00 0.00 C ATOM 0 H ALA A 106 -4.480 11.028 -1.576 1.00 0.00 H new ATOM 0 HA ALA A 106 -3.292 12.601 -3.584 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -3.590 14.426 -1.942 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.041 13.403 -2.063 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -3.938 13.222 -0.679 1.00 0.00 H new ATOM 1719 N SER A 107 -1.335 11.722 -1.122 1.00 0.00 N ATOM 1720 CA SER A 107 0.049 11.712 -0.663 1.00 0.00 C ATOM 1721 C SER A 107 0.966 11.096 -1.716 1.00 0.00 C ATOM 1722 O SER A 107 2.045 11.619 -1.998 1.00 0.00 O ATOM 1723 CB SER A 107 0.168 10.935 0.650 1.00 0.00 C ATOM 1724 OG SER A 107 -0.721 11.448 1.627 1.00 0.00 O ATOM 0 H SER A 107 -1.959 11.110 -0.595 1.00 0.00 H new ATOM 0 HA SER A 107 0.358 12.744 -0.496 1.00 0.00 H new ATOM 0 HB2 SER A 107 -0.049 9.881 0.474 1.00 0.00 H new ATOM 0 HB3 SER A 107 1.192 10.993 1.019 1.00 0.00 H new ATOM 0 HG SER A 107 -1.607 11.048 1.505 1.00 0.00 H new ATOM 1730 N PHE A 108 0.529 9.982 -2.293 1.00 0.00 N ATOM 1731 CA PHE A 108 1.310 9.293 -3.314 1.00 0.00 C ATOM 1732 C PHE A 108 1.734 10.258 -4.417 1.00 0.00 C ATOM 1733 O PHE A 108 2.897 10.283 -4.822 1.00 0.00 O ATOM 1734 CB PHE A 108 0.502 8.140 -3.912 1.00 0.00 C ATOM 1735 CG PHE A 108 0.626 6.857 -3.140 1.00 0.00 C ATOM 1736 CD1 PHE A 108 1.635 5.953 -3.430 1.00 0.00 C ATOM 1737 CD2 PHE A 108 -0.267 6.556 -2.124 1.00 0.00 C ATOM 1738 CE1 PHE A 108 1.750 4.772 -2.722 1.00 0.00 C ATOM 1739 CE2 PHE A 108 -0.156 5.377 -1.412 1.00 0.00 C ATOM 1740 CZ PHE A 108 0.854 4.484 -1.710 1.00 0.00 C ATOM 0 H PHE A 108 -0.362 9.537 -2.071 1.00 0.00 H new ATOM 0 HA PHE A 108 2.207 8.892 -2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 108 -0.548 8.428 -3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 108 0.830 7.971 -4.938 1.00 0.00 H new ATOM 0 HD1 PHE A 108 2.340 6.174 -4.218 1.00 0.00 H new ATOM 0 HD2 PHE A 108 -1.059 7.251 -1.886 1.00 0.00 H new ATOM 0 HE1 PHE A 108 2.540 4.074 -2.959 1.00 0.00 H new ATOM 0 HE2 PHE A 108 -0.859 5.154 -0.623 1.00 0.00 H new ATOM 0 HZ PHE A 108 0.944 3.563 -1.154 1.00 0.00 H new ATOM 1750 N LEU A 109 0.783 11.050 -4.900 1.00 0.00 N ATOM 1751 CA LEU A 109 1.057 12.017 -5.957 1.00 0.00 C ATOM 1752 C LEU A 109 2.354 12.771 -5.683 1.00 0.00 C ATOM 1753 O LEU A 109 3.240 12.833 -6.536 1.00 0.00 O ATOM 1754 CB LEU A 109 -0.104 13.006 -6.084 1.00 0.00 C ATOM 1755 CG LEU A 109 -1.217 12.612 -7.055 1.00 0.00 C ATOM 1756 CD1 LEU A 109 -2.302 11.828 -6.334 1.00 0.00 C ATOM 1757 CD2 LEU A 109 -1.803 13.847 -7.723 1.00 0.00 C ATOM 0 H LEU A 109 -0.184 11.042 -4.577 1.00 0.00 H new ATOM 0 HA LEU A 109 1.167 11.472 -6.894 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -0.544 13.148 -5.097 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.298 13.970 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 109 -0.790 11.973 -7.828 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -3.086 11.556 -7.041 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.872 10.924 -5.903 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.727 12.441 -5.540 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.594 13.548 -8.411 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -2.215 14.511 -6.963 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.020 14.368 -8.274 1.00 0.00 H new ATOM 1769 N ARG A 110 2.460 13.342 -4.487 1.00 0.00 N ATOM 1770 CA ARG A 110 3.649 14.091 -4.100 1.00 0.00 C ATOM 1771 C ARG A 110 4.907 13.248 -4.288 1.00 0.00 C ATOM 1772 O ARG A 110 5.995 13.780 -4.508 1.00 0.00 O ATOM 1773 CB ARG A 110 3.540 14.546 -2.644 1.00 0.00 C ATOM 1774 CG ARG A 110 2.813 15.870 -2.472 1.00 0.00 C ATOM 1775 CD ARG A 110 3.772 17.047 -2.552 1.00 0.00 C ATOM 1776 NE ARG A 110 4.311 17.403 -1.242 1.00 0.00 N ATOM 1777 CZ ARG A 110 4.872 18.577 -0.973 1.00 0.00 C ATOM 1778 NH1 ARG A 110 4.968 19.502 -1.918 1.00 0.00 N ATOM 1779 NH2 ARG A 110 5.339 18.827 0.244 1.00 0.00 N ATOM 0 H ARG A 110 1.736 13.300 -3.769 1.00 0.00 H new ATOM 0 HA ARG A 110 3.720 14.968 -4.743 1.00 0.00 H new ATOM 0 HB2 ARG A 110 3.020 13.779 -2.070 1.00 0.00 H new ATOM 0 HB3 ARG A 110 4.542 14.634 -2.224 1.00 0.00 H new ATOM 0 HG2 ARG A 110 2.049 15.969 -3.243 1.00 0.00 H new ATOM 0 HG3 ARG A 110 2.300 15.882 -1.510 1.00 0.00 H new ATOM 0 HD2 ARG A 110 4.592 16.801 -3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 110 3.256 17.907 -2.978 1.00 0.00 H new ATOM 0 HE ARG A 110 4.254 16.713 -0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 110 4.611 19.313 -2.855 1.00 0.00 H new ATOM 0 HH12 ARG A 110 5.399 20.402 -1.708 1.00 0.00 H new ATOM 0 HH21 ARG A 110 5.267 18.118 0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 110 5.770 19.728 0.450 1.00 0.00 H new ATOM 1793 N ALA A 111 4.750 11.932 -4.199 1.00 0.00 N ATOM 1794 CA ALA A 111 5.872 11.016 -4.361 1.00 0.00 C ATOM 1795 C ALA A 111 6.181 10.780 -5.836 1.00 0.00 C ATOM 1796 O ALA A 111 7.267 10.322 -6.187 1.00 0.00 O ATOM 1797 CB ALA A 111 5.581 9.696 -3.663 1.00 0.00 C ATOM 0 H ALA A 111 3.856 11.476 -4.016 1.00 0.00 H new ATOM 0 HA ALA A 111 6.749 11.472 -3.902 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.428 9.022 -3.792 1.00 0.00 H new ATOM 0 HB2 ALA A 111 5.418 9.875 -2.600 1.00 0.00 H new ATOM 0 HB3 ALA A 111 4.688 9.245 -4.096 1.00 0.00 H new ATOM 1803 N GLY A 112 5.216 11.095 -6.695 1.00 0.00 N ATOM 1804 CA GLY A 112 5.405 10.910 -8.122 1.00 0.00 C ATOM 1805 C GLY A 112 4.799 9.613 -8.623 1.00 0.00 C ATOM 1806 O GLY A 112 5.348 8.967 -9.515 1.00 0.00 O ATOM 0 H GLY A 112 4.308 11.475 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 112 4.957 11.747 -8.657 1.00 0.00 H new ATOM 0 HA3 GLY A 112 6.471 10.921 -8.349 1.00 0.00 H new ATOM 1810 N VAL A 113 3.664 9.230 -8.046 1.00 0.00 N ATOM 1811 CA VAL A 113 2.984 8.002 -8.439 1.00 0.00 C ATOM 1812 C VAL A 113 2.348 8.143 -9.817 1.00 0.00 C ATOM 1813 O VAL A 113 2.774 7.501 -10.777 1.00 0.00 O ATOM 1814 CB VAL A 113 1.896 7.613 -7.420 1.00 0.00 C ATOM 1815 CG1 VAL A 113 0.914 8.758 -7.224 1.00 0.00 C ATOM 1816 CG2 VAL A 113 1.174 6.351 -7.869 1.00 0.00 C ATOM 0 H VAL A 113 3.197 9.753 -7.305 1.00 0.00 H new ATOM 0 HA VAL A 113 3.740 7.217 -8.470 1.00 0.00 H new ATOM 0 HB VAL A 113 2.375 7.409 -6.462 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.153 8.465 -6.501 1.00 0.00 H new ATOM 0 HG12 VAL A 113 1.446 9.635 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 113 0.438 8.996 -8.175 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.409 6.090 -7.138 1.00 0.00 H new ATOM 0 HG22 VAL A 113 0.706 6.525 -8.838 1.00 0.00 H new ATOM 0 HG23 VAL A 113 1.889 5.533 -7.953 1.00 0.00 H new TER 1826 VAL A 113