USER MOD reduce.3.24.130724 H: found=0, std=0, add=855, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 853 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 48 ASN : amide:sc= -9.57! K(o=-19!,f=-2) USER MOD Set 1.2: A 79 GLN : amide:sc= -9.15! K(o=-19!,f=-2) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -168:sc= 0 (180deg=-0.123) USER MOD Single : A 5 ASN : amide:sc= 0.146 X(o=0.15,f=-0.12) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -142:sc= -1.06 USER MOD Single : A 17 SER OG : rot 180:sc= -0.0362 USER MOD Single : A 19 MET CE :methyl -104:sc= -0.748 (180deg=-3.96!) USER MOD Single : A 30 SER OG : rot -22:sc= 0.0269 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0.508 K(o=0.51,f=-3.7!) USER MOD Single : A 50 GLN : amide:sc= -0.137 K(o=-0.14,f=0.46) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot -29:sc= 0.0502 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 76 SER OG : rot 140:sc= -1.63 USER MOD Single : A 89 MET CE :methyl -151:sc= -6.94! (180deg=-8.72!) USER MOD Single : A 91 LYS NZ :NH3+ 161:sc= -0.0781 (180deg=-0.397) USER MOD Single : A 95 THR OG1 : rot -74:sc= 0.0197 USER MOD Single : A 97 THR OG1 : rot 65:sc= 0.519 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -1.55! K(o=-1.5!,f=-0.49) USER MOD Single : A 107 TYR OH : rot -119:sc= -2.16 USER MOD Single : A 110 THR OG1 : rot -67:sc= 1.09 USER MOD Single : A 111 HIS : no HD1:sc= -0.0964 X(o=-0.096,f=-0.0022) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.177 0.948 19.155 1.00 0.00 N ATOM 2 CA MET A 1 -19.154 2.011 19.323 1.00 0.00 C ATOM 3 C MET A 1 -19.812 3.373 19.523 1.00 0.00 C ATOM 4 O MET A 1 -19.434 4.127 20.421 1.00 0.00 O ATOM 5 CB MET A 1 -18.228 2.051 18.104 1.00 0.00 C ATOM 6 CG MET A 1 -17.320 0.836 17.996 1.00 0.00 C ATOM 7 SD MET A 1 -16.312 0.852 16.501 1.00 0.00 S ATOM 8 CE MET A 1 -15.297 -0.599 16.765 1.00 0.00 C ATOM 0 H1 MET A 1 -19.723 0.015 19.224 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.897 1.039 19.900 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.629 1.045 18.223 1.00 0.00 H new ATOM 0 HA MET A 1 -18.566 1.779 20.211 1.00 0.00 H new ATOM 0 HB2 MET A 1 -18.832 2.125 17.200 1.00 0.00 H new ATOM 0 HB3 MET A 1 -17.615 2.951 18.152 1.00 0.00 H new ATOM 0 HG2 MET A 1 -16.668 0.796 18.869 1.00 0.00 H new ATOM 0 HG3 MET A 1 -17.927 -0.069 18.010 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.617 -0.726 15.922 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.720 -0.478 17.682 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.935 -1.478 16.852 1.00 0.00 H new ATOM 18 N ALA A 2 -20.796 3.679 18.680 1.00 0.00 N ATOM 19 CA ALA A 2 -21.512 4.950 18.760 1.00 0.00 C ATOM 20 C ALA A 2 -20.554 6.135 18.679 1.00 0.00 C ATOM 21 O ALA A 2 -20.926 7.268 18.986 1.00 0.00 O ATOM 22 CB ALA A 2 -22.328 5.014 20.043 1.00 0.00 C ATOM 0 H ALA A 2 -21.116 3.063 17.933 1.00 0.00 H new ATOM 0 HA ALA A 2 -22.187 5.010 17.906 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -22.857 5.966 20.091 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -23.049 4.197 20.056 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -21.663 4.925 20.902 1.00 0.00 H new ATOM 28 N ASP A 3 -19.321 5.867 18.257 1.00 0.00 N ATOM 29 CA ASP A 3 -18.307 6.908 18.137 1.00 0.00 C ATOM 30 C ASP A 3 -17.391 6.632 16.950 1.00 0.00 C ATOM 31 O ASP A 3 -16.917 5.510 16.771 1.00 0.00 O ATOM 32 CB ASP A 3 -17.485 6.994 19.425 1.00 0.00 C ATOM 33 CG ASP A 3 -16.457 8.108 19.385 1.00 0.00 C ATOM 34 OD1 ASP A 3 -15.324 7.854 18.924 1.00 0.00 O ATOM 35 OD2 ASP A 3 -16.784 9.234 19.817 1.00 0.00 O ATOM 0 H ASP A 3 -19.001 4.936 17.992 1.00 0.00 H new ATOM 0 HA ASP A 3 -18.810 7.861 17.972 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -18.155 7.153 20.270 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -16.979 6.043 19.594 1.00 0.00 H new ATOM 40 N GLU A 4 -17.150 7.663 16.142 1.00 0.00 N ATOM 41 CA GLU A 4 -16.293 7.542 14.964 1.00 0.00 C ATOM 42 C GLU A 4 -16.874 6.547 13.960 1.00 0.00 C ATOM 43 O GLU A 4 -17.591 6.933 13.037 1.00 0.00 O ATOM 44 CB GLU A 4 -14.878 7.116 15.371 1.00 0.00 C ATOM 45 CG GLU A 4 -13.897 7.073 14.211 1.00 0.00 C ATOM 46 CD GLU A 4 -12.525 6.578 14.625 1.00 0.00 C ATOM 47 OE1 GLU A 4 -11.747 7.382 15.181 1.00 0.00 O ATOM 48 OE2 GLU A 4 -12.229 5.387 14.396 1.00 0.00 O ATOM 0 H GLU A 4 -17.538 8.596 16.283 1.00 0.00 H new ATOM 0 HA GLU A 4 -16.243 8.520 14.485 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.503 7.806 16.127 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.924 6.130 15.834 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.293 6.424 13.429 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.805 8.070 13.781 1.00 0.00 H new ATOM 55 N ASN A 5 -16.562 5.267 14.147 1.00 0.00 N ATOM 56 CA ASN A 5 -17.055 4.222 13.257 1.00 0.00 C ATOM 57 C ASN A 5 -18.551 4.004 13.453 1.00 0.00 C ATOM 58 O ASN A 5 -19.004 3.694 14.556 1.00 0.00 O ATOM 59 CB ASN A 5 -16.303 2.915 13.505 1.00 0.00 C ATOM 60 CG ASN A 5 -16.774 1.793 12.599 1.00 0.00 C ATOM 61 OD1 ASN A 5 -17.726 1.081 12.916 1.00 0.00 O ATOM 62 ND2 ASN A 5 -16.103 1.628 11.464 1.00 0.00 N ATOM 0 H ASN A 5 -15.970 4.930 14.906 1.00 0.00 H new ATOM 0 HA ASN A 5 -16.883 4.543 12.230 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -15.236 3.078 13.351 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -16.433 2.617 14.545 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -16.372 0.888 10.816 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -15.319 2.242 11.241 1.00 0.00 H new ATOM 69 N LYS A 6 -19.314 4.165 12.375 1.00 0.00 N ATOM 70 CA LYS A 6 -20.761 3.986 12.429 1.00 0.00 C ATOM 71 C LYS A 6 -21.357 3.933 11.024 1.00 0.00 C ATOM 72 O LYS A 6 -22.472 3.445 10.832 1.00 0.00 O ATOM 73 CB LYS A 6 -21.406 5.122 13.231 1.00 0.00 C ATOM 74 CG LYS A 6 -22.921 5.025 13.326 1.00 0.00 C ATOM 75 CD LYS A 6 -23.355 3.821 14.145 1.00 0.00 C ATOM 76 CE LYS A 6 -24.869 3.753 14.275 1.00 0.00 C ATOM 77 NZ LYS A 6 -25.307 2.538 15.013 1.00 0.00 N ATOM 0 H LYS A 6 -18.954 4.419 11.455 1.00 0.00 H new ATOM 0 HA LYS A 6 -20.968 3.038 12.925 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -20.988 5.126 14.238 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -21.141 6.074 12.772 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -23.317 5.935 13.778 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -23.345 4.956 12.324 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -22.988 2.908 13.676 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -22.905 3.873 15.137 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -25.229 4.642 14.792 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -25.319 3.757 13.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -26.345 2.528 15.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -24.985 1.689 14.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -24.898 2.546 15.969 1.00 0.00 H new ATOM 91 N TRP A 7 -20.608 4.430 10.044 1.00 0.00 N ATOM 92 CA TRP A 7 -21.073 4.439 8.661 1.00 0.00 C ATOM 93 C TRP A 7 -19.912 4.621 7.688 1.00 0.00 C ATOM 94 O TRP A 7 -20.110 5.039 6.546 1.00 0.00 O ATOM 95 CB TRP A 7 -22.102 5.556 8.457 1.00 0.00 C ATOM 96 CG TRP A 7 -21.543 6.931 8.664 1.00 0.00 C ATOM 97 CD1 TRP A 7 -21.147 7.484 9.847 1.00 0.00 C ATOM 98 CD2 TRP A 7 -21.322 7.928 7.659 1.00 0.00 C ATOM 99 NE1 TRP A 7 -20.691 8.764 9.640 1.00 0.00 N ATOM 100 CE2 TRP A 7 -20.788 9.059 8.306 1.00 0.00 C ATOM 101 CE3 TRP A 7 -21.521 7.974 6.276 1.00 0.00 C ATOM 102 CZ2 TRP A 7 -20.453 10.222 7.617 1.00 0.00 C ATOM 103 CZ3 TRP A 7 -21.188 9.130 5.593 1.00 0.00 C ATOM 104 CH2 TRP A 7 -20.658 10.239 6.265 1.00 0.00 C ATOM 0 H TRP A 7 -19.680 4.830 10.181 1.00 0.00 H new ATOM 0 HA TRP A 7 -21.540 3.475 8.458 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -22.507 5.486 7.448 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -22.933 5.403 9.145 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -21.186 6.988 10.806 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -20.338 9.392 10.362 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -21.927 7.123 5.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -20.046 11.080 8.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -21.339 9.178 4.525 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -20.406 11.126 5.703 1.00 0.00 H new ATOM 115 N VAL A 8 -18.702 4.300 8.138 1.00 0.00 N ATOM 116 CA VAL A 8 -17.519 4.435 7.294 1.00 0.00 C ATOM 117 C VAL A 8 -17.434 3.303 6.274 1.00 0.00 C ATOM 118 O VAL A 8 -16.670 2.351 6.441 1.00 0.00 O ATOM 119 CB VAL A 8 -16.222 4.471 8.130 1.00 0.00 C ATOM 120 CG1 VAL A 8 -15.016 4.732 7.238 1.00 0.00 C ATOM 121 CG2 VAL A 8 -16.323 5.525 9.224 1.00 0.00 C ATOM 0 H VAL A 8 -18.516 3.947 9.077 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.619 5.383 6.766 1.00 0.00 H new ATOM 0 HB VAL A 8 -16.089 3.498 8.603 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -14.112 4.754 7.846 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -14.935 3.939 6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.137 5.691 6.734 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -15.400 5.537 9.804 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.480 6.504 8.772 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -17.161 5.289 9.880 1.00 0.00 H new ATOM 131 N ARG A 9 -18.238 3.417 5.221 1.00 0.00 N ATOM 132 CA ARG A 9 -18.270 2.424 4.153 1.00 0.00 C ATOM 133 C ARG A 9 -18.464 1.016 4.696 1.00 0.00 C ATOM 134 O ARG A 9 -18.158 0.033 4.018 1.00 0.00 O ATOM 135 CB ARG A 9 -16.992 2.496 3.313 1.00 0.00 C ATOM 136 CG ARG A 9 -16.890 3.750 2.456 1.00 0.00 C ATOM 137 CD ARG A 9 -16.558 4.977 3.291 1.00 0.00 C ATOM 138 NE ARG A 9 -16.536 6.198 2.490 1.00 0.00 N ATOM 139 CZ ARG A 9 -17.044 7.356 2.901 1.00 0.00 C ATOM 140 NH1 ARG A 9 -17.616 7.447 4.093 1.00 0.00 N ATOM 141 NH2 ARG A 9 -16.979 8.425 2.117 1.00 0.00 N ATOM 0 H ARG A 9 -18.882 4.196 5.085 1.00 0.00 H new ATOM 0 HA ARG A 9 -19.126 2.656 3.519 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -16.129 2.450 3.977 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -16.944 1.620 2.666 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -16.122 3.609 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -17.832 3.910 1.932 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -17.293 5.081 4.089 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -15.587 4.839 3.767 1.00 0.00 H new ATOM 0 HE ARG A 9 -16.108 6.160 1.565 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -17.667 6.627 4.698 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -18.005 8.337 4.406 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -16.539 8.358 1.199 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -17.369 9.313 2.432 1.00 0.00 H new ATOM 155 N ARG A 10 -18.973 0.918 5.916 1.00 0.00 N ATOM 156 CA ARG A 10 -19.225 -0.380 6.517 1.00 0.00 C ATOM 157 C ARG A 10 -20.394 -1.051 5.805 1.00 0.00 C ATOM 158 O ARG A 10 -21.548 -0.667 5.996 1.00 0.00 O ATOM 159 CB ARG A 10 -19.520 -0.237 8.012 1.00 0.00 C ATOM 160 CG ARG A 10 -20.530 0.852 8.337 1.00 0.00 C ATOM 161 CD ARG A 10 -20.995 0.766 9.781 1.00 0.00 C ATOM 162 NE ARG A 10 -21.618 -0.520 10.077 1.00 0.00 N ATOM 163 CZ ARG A 10 -22.053 -0.871 11.284 1.00 0.00 C ATOM 164 NH1 ARG A 10 -21.939 -0.032 12.305 1.00 0.00 N ATOM 165 NH2 ARG A 10 -22.606 -2.061 11.467 1.00 0.00 N ATOM 0 H ARG A 10 -19.217 1.715 6.503 1.00 0.00 H new ATOM 0 HA ARG A 10 -18.335 -0.999 6.408 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -19.891 -1.189 8.392 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -18.589 -0.025 8.538 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -20.084 1.830 8.155 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -21.389 0.764 7.671 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -20.145 0.919 10.446 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -21.705 1.568 9.982 1.00 0.00 H new ATOM 0 HE ARG A 10 -21.726 -1.188 9.314 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -21.517 0.886 12.166 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -22.274 -0.305 13.229 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -22.698 -2.707 10.683 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -22.940 -2.331 12.392 1.00 0.00 H new ATOM 179 N ASP A 11 -20.081 -2.038 4.967 1.00 0.00 N ATOM 180 CA ASP A 11 -21.102 -2.761 4.215 1.00 0.00 C ATOM 181 C ASP A 11 -21.733 -1.862 3.155 1.00 0.00 C ATOM 182 O ASP A 11 -22.769 -2.197 2.579 1.00 0.00 O ATOM 183 CB ASP A 11 -22.184 -3.285 5.159 1.00 0.00 C ATOM 184 CG ASP A 11 -23.071 -4.332 4.511 1.00 0.00 C ATOM 185 OD1 ASP A 11 -22.706 -5.525 4.549 1.00 0.00 O ATOM 186 OD2 ASP A 11 -24.131 -3.957 3.967 1.00 0.00 O ATOM 0 H ASP A 11 -19.127 -2.355 4.792 1.00 0.00 H new ATOM 0 HA ASP A 11 -20.623 -3.604 3.717 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -21.712 -3.712 6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -22.800 -2.452 5.497 1.00 0.00 H new ATOM 191 N VAL A 12 -21.101 -0.720 2.899 1.00 0.00 N ATOM 192 CA VAL A 12 -21.603 0.227 1.910 1.00 0.00 C ATOM 193 C VAL A 12 -21.780 -0.444 0.548 1.00 0.00 C ATOM 194 O VAL A 12 -22.610 -0.026 -0.259 1.00 0.00 O ATOM 195 CB VAL A 12 -20.658 1.438 1.763 1.00 0.00 C ATOM 196 CG1 VAL A 12 -19.316 1.007 1.193 1.00 0.00 C ATOM 197 CG2 VAL A 12 -21.297 2.512 0.897 1.00 0.00 C ATOM 0 H VAL A 12 -20.241 -0.429 3.363 1.00 0.00 H new ATOM 0 HA VAL A 12 -22.572 0.577 2.265 1.00 0.00 H new ATOM 0 HB VAL A 12 -20.483 1.860 2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -18.665 1.876 1.098 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -18.854 0.279 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -19.465 0.556 0.212 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -20.616 3.358 0.805 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -21.506 2.105 -0.092 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -22.228 2.844 1.357 1.00 0.00 H new ATOM 207 N SER A 13 -20.993 -1.490 0.307 1.00 0.00 N ATOM 208 CA SER A 13 -21.053 -2.232 -0.948 1.00 0.00 C ATOM 209 C SER A 13 -20.252 -3.527 -0.844 1.00 0.00 C ATOM 210 O SER A 13 -20.818 -4.612 -0.717 1.00 0.00 O ATOM 211 CB SER A 13 -20.516 -1.377 -2.099 1.00 0.00 C ATOM 212 OG SER A 13 -20.410 -2.135 -3.292 1.00 0.00 O ATOM 0 H SER A 13 -20.303 -1.844 0.969 1.00 0.00 H new ATOM 0 HA SER A 13 -22.095 -2.480 -1.149 1.00 0.00 H new ATOM 0 HB2 SER A 13 -21.177 -0.526 -2.263 1.00 0.00 H new ATOM 0 HB3 SER A 13 -19.539 -0.975 -1.832 1.00 0.00 H new ATOM 0 HG SER A 13 -20.067 -1.566 -4.012 1.00 0.00 H new ATOM 218 N THR A 14 -18.930 -3.400 -0.897 1.00 0.00 N ATOM 219 CA THR A 14 -18.042 -4.551 -0.799 1.00 0.00 C ATOM 220 C THR A 14 -17.165 -4.445 0.445 1.00 0.00 C ATOM 221 O THR A 14 -17.149 -3.410 1.109 1.00 0.00 O ATOM 222 CB THR A 14 -17.154 -4.681 -2.046 1.00 0.00 C ATOM 223 OG1 THR A 14 -16.541 -3.421 -2.341 1.00 0.00 O ATOM 224 CG2 THR A 14 -17.970 -5.146 -3.243 1.00 0.00 C ATOM 0 H THR A 14 -18.449 -2.507 -1.008 1.00 0.00 H new ATOM 0 HA THR A 14 -18.666 -5.441 -0.726 1.00 0.00 H new ATOM 0 HB THR A 14 -16.382 -5.423 -1.842 1.00 0.00 H new ATOM 0 HG1 THR A 14 -16.507 -3.293 -3.312 1.00 0.00 H new ATOM 0 HG21 THR A 14 -17.321 -5.231 -4.115 1.00 0.00 H new ATOM 0 HG22 THR A 14 -18.414 -6.117 -3.025 1.00 0.00 H new ATOM 0 HG23 THR A 14 -18.760 -4.423 -3.448 1.00 0.00 H new ATOM 232 N ALA A 15 -16.437 -5.514 0.761 1.00 0.00 N ATOM 233 CA ALA A 15 -15.584 -5.520 1.948 1.00 0.00 C ATOM 234 C ALA A 15 -14.130 -5.164 1.636 1.00 0.00 C ATOM 235 O ALA A 15 -13.653 -4.096 2.019 1.00 0.00 O ATOM 236 CB ALA A 15 -15.656 -6.878 2.631 1.00 0.00 C ATOM 0 H ALA A 15 -16.420 -6.378 0.219 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.961 -4.747 2.617 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.018 -6.875 3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.685 -7.082 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.317 -7.651 1.941 1.00 0.00 H new ATOM 242 N LEU A 16 -13.428 -6.056 0.943 1.00 0.00 N ATOM 243 CA LEU A 16 -12.024 -5.823 0.609 1.00 0.00 C ATOM 244 C LEU A 16 -11.874 -5.024 -0.680 1.00 0.00 C ATOM 245 O LEU A 16 -10.793 -4.519 -0.982 1.00 0.00 O ATOM 246 CB LEU A 16 -11.266 -7.152 0.498 1.00 0.00 C ATOM 247 CG LEU A 16 -11.411 -7.895 -0.836 1.00 0.00 C ATOM 248 CD1 LEU A 16 -10.420 -9.046 -0.911 1.00 0.00 C ATOM 249 CD2 LEU A 16 -12.833 -8.405 -1.017 1.00 0.00 C ATOM 0 H LEU A 16 -13.804 -6.941 0.603 1.00 0.00 H new ATOM 0 HA LEU A 16 -11.592 -5.234 1.419 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -10.207 -6.960 0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -11.606 -7.810 1.297 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.194 -7.196 -1.643 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -10.535 -9.564 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -9.405 -8.658 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -10.609 -9.743 -0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -12.913 -8.929 -1.970 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -13.080 -9.089 -0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -13.526 -7.563 -1.006 1.00 0.00 H new ATOM 261 N SER A 17 -12.957 -4.910 -1.439 1.00 0.00 N ATOM 262 CA SER A 17 -12.923 -4.181 -2.700 1.00 0.00 C ATOM 263 C SER A 17 -13.099 -2.677 -2.494 1.00 0.00 C ATOM 264 O SER A 17 -12.301 -1.885 -2.995 1.00 0.00 O ATOM 265 CB SER A 17 -13.997 -4.710 -3.650 1.00 0.00 C ATOM 266 OG SER A 17 -14.053 -3.938 -4.837 1.00 0.00 O ATOM 0 H SER A 17 -13.865 -5.311 -1.205 1.00 0.00 H new ATOM 0 HA SER A 17 -11.940 -4.342 -3.143 1.00 0.00 H new ATOM 0 HB2 SER A 17 -13.787 -5.750 -3.899 1.00 0.00 H new ATOM 0 HB3 SER A 17 -14.967 -4.691 -3.154 1.00 0.00 H new ATOM 0 HG SER A 17 -14.747 -4.298 -5.429 1.00 0.00 H new ATOM 272 N ARG A 18 -14.140 -2.280 -1.760 1.00 0.00 N ATOM 273 CA ARG A 18 -14.397 -0.859 -1.527 1.00 0.00 C ATOM 274 C ARG A 18 -14.968 -0.591 -0.133 1.00 0.00 C ATOM 275 O ARG A 18 -16.180 -0.662 0.075 1.00 0.00 O ATOM 276 CB ARG A 18 -15.366 -0.319 -2.581 1.00 0.00 C ATOM 277 CG ARG A 18 -14.927 -0.588 -4.013 1.00 0.00 C ATOM 278 CD ARG A 18 -15.876 0.046 -5.016 1.00 0.00 C ATOM 279 NE ARG A 18 -15.497 -0.256 -6.394 1.00 0.00 N ATOM 280 CZ ARG A 18 -15.993 0.378 -7.452 1.00 0.00 C ATOM 281 NH1 ARG A 18 -16.884 1.348 -7.289 1.00 0.00 N ATOM 282 NH2 ARG A 18 -15.599 0.044 -8.673 1.00 0.00 N ATOM 0 H ARG A 18 -14.810 -2.913 -1.322 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.438 -0.347 -1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -16.347 -0.766 -2.422 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.478 0.756 -2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.921 -0.197 -4.165 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.881 -1.663 -4.184 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.889 -0.311 -4.832 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.887 1.126 -4.872 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.813 -0.995 -6.554 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -17.189 1.608 -6.351 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.264 1.834 -8.102 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -14.914 -0.701 -8.802 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -15.981 0.532 -9.483 1.00 0.00 H new ATOM 296 N MET A 19 -14.089 -0.291 0.820 1.00 0.00 N ATOM 297 CA MET A 19 -14.512 0.017 2.186 1.00 0.00 C ATOM 298 C MET A 19 -13.788 1.253 2.715 1.00 0.00 C ATOM 299 O MET A 19 -14.065 1.721 3.818 1.00 0.00 O ATOM 300 CB MET A 19 -14.271 -1.171 3.119 1.00 0.00 C ATOM 301 CG MET A 19 -15.508 -2.021 3.355 1.00 0.00 C ATOM 302 SD MET A 19 -15.307 -3.169 4.733 1.00 0.00 S ATOM 303 CE MET A 19 -16.954 -3.867 4.842 1.00 0.00 C ATOM 0 H MET A 19 -13.080 -0.254 0.673 1.00 0.00 H new ATOM 0 HA MET A 19 -15.582 0.224 2.160 1.00 0.00 H new ATOM 0 HB2 MET A 19 -13.484 -1.798 2.699 1.00 0.00 H new ATOM 0 HB3 MET A 19 -13.906 -0.801 4.077 1.00 0.00 H new ATOM 0 HG2 MET A 19 -16.360 -1.370 3.550 1.00 0.00 H new ATOM 0 HG3 MET A 19 -15.737 -2.583 2.449 1.00 0.00 H new ATOM 0 HE1 MET A 19 -17.478 -3.431 5.692 1.00 0.00 H new ATOM 0 HE2 MET A 19 -17.503 -3.648 3.926 1.00 0.00 H new ATOM 0 HE3 MET A 19 -16.884 -4.947 4.974 1.00 0.00 H new ATOM 313 N GLY A 20 -12.854 1.773 1.921 1.00 0.00 N ATOM 314 CA GLY A 20 -12.105 2.949 2.327 1.00 0.00 C ATOM 315 C GLY A 20 -11.113 2.654 3.435 1.00 0.00 C ATOM 316 O GLY A 20 -10.101 1.992 3.209 1.00 0.00 O ATOM 0 H GLY A 20 -12.604 1.401 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -11.573 3.352 1.465 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.799 3.720 2.661 1.00 0.00 H new ATOM 320 N ASP A 21 -11.404 3.150 4.636 1.00 0.00 N ATOM 321 CA ASP A 21 -10.532 2.934 5.785 1.00 0.00 C ATOM 322 C ASP A 21 -10.831 1.593 6.443 1.00 0.00 C ATOM 323 O ASP A 21 -9.955 0.976 7.049 1.00 0.00 O ATOM 324 CB ASP A 21 -10.704 4.067 6.801 1.00 0.00 C ATOM 325 CG ASP A 21 -10.348 5.421 6.220 1.00 0.00 C ATOM 326 OD1 ASP A 21 -11.247 6.081 5.659 1.00 0.00 O ATOM 327 OD2 ASP A 21 -9.170 5.820 6.327 1.00 0.00 O ATOM 0 H ASP A 21 -12.237 3.704 4.837 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.500 2.925 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.736 4.084 7.151 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.076 3.871 7.670 1.00 0.00 H new ATOM 332 N GLU A 22 -12.077 1.148 6.317 1.00 0.00 N ATOM 333 CA GLU A 22 -12.495 -0.125 6.892 1.00 0.00 C ATOM 334 C GLU A 22 -12.044 -1.281 6.004 1.00 0.00 C ATOM 335 O GLU A 22 -12.370 -2.439 6.257 1.00 0.00 O ATOM 336 CB GLU A 22 -14.016 -0.152 7.072 1.00 0.00 C ATOM 337 CG GLU A 22 -14.513 -1.338 7.885 1.00 0.00 C ATOM 338 CD GLU A 22 -15.990 -1.243 8.209 1.00 0.00 C ATOM 339 OE1 GLU A 22 -16.365 -0.377 9.026 1.00 0.00 O ATOM 340 OE2 GLU A 22 -16.773 -2.039 7.646 1.00 0.00 O ATOM 0 H GLU A 22 -12.814 1.650 5.822 1.00 0.00 H new ATOM 0 HA GLU A 22 -12.027 -0.236 7.870 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -14.332 0.770 7.560 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -14.489 -0.171 6.090 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -14.324 -2.258 7.332 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -13.944 -1.402 8.813 1.00 0.00 H new ATOM 347 N ALA A 23 -11.287 -0.953 4.958 1.00 0.00 N ATOM 348 CA ALA A 23 -10.781 -1.958 4.030 1.00 0.00 C ATOM 349 C ALA A 23 -9.331 -2.305 4.341 1.00 0.00 C ATOM 350 O ALA A 23 -8.849 -3.379 3.983 1.00 0.00 O ATOM 351 CB ALA A 23 -10.899 -1.465 2.595 1.00 0.00 C ATOM 0 H ALA A 23 -11.011 0.003 4.733 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.385 -2.857 4.147 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -10.517 -2.227 1.916 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -11.945 -1.265 2.364 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -10.319 -0.550 2.476 1.00 0.00 H new ATOM 357 N PHE A 24 -8.645 -1.388 5.015 1.00 0.00 N ATOM 358 CA PHE A 24 -7.245 -1.581 5.370 1.00 0.00 C ATOM 359 C PHE A 24 -7.041 -2.851 6.192 1.00 0.00 C ATOM 360 O PHE A 24 -6.173 -3.663 5.880 1.00 0.00 O ATOM 361 CB PHE A 24 -6.725 -0.372 6.146 1.00 0.00 C ATOM 362 CG PHE A 24 -5.264 -0.122 5.918 1.00 0.00 C ATOM 363 CD1 PHE A 24 -4.334 -1.115 6.171 1.00 0.00 C ATOM 364 CD2 PHE A 24 -4.822 1.098 5.437 1.00 0.00 C ATOM 365 CE1 PHE A 24 -2.992 -0.896 5.952 1.00 0.00 C ATOM 366 CE2 PHE A 24 -3.480 1.323 5.215 1.00 0.00 C ATOM 367 CZ PHE A 24 -2.562 0.325 5.473 1.00 0.00 C ATOM 0 H PHE A 24 -9.039 -0.500 5.327 1.00 0.00 H new ATOM 0 HA PHE A 24 -6.683 -1.687 4.442 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.291 0.513 5.854 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.901 -0.526 7.211 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.664 -2.073 6.545 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -5.536 1.882 5.233 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -2.277 -1.679 6.155 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -3.147 2.279 4.840 1.00 0.00 H new ATOM 0 HZ PHE A 24 -1.510 0.499 5.301 1.00 0.00 H new ATOM 377 N GLU A 25 -7.824 -3.012 7.251 1.00 0.00 N ATOM 378 CA GLU A 25 -7.698 -4.191 8.103 1.00 0.00 C ATOM 379 C GLU A 25 -8.027 -5.483 7.347 1.00 0.00 C ATOM 380 O GLU A 25 -7.207 -6.395 7.326 1.00 0.00 O ATOM 381 CB GLU A 25 -8.575 -4.096 9.348 1.00 0.00 C ATOM 382 CG GLU A 25 -9.400 -2.820 9.445 1.00 0.00 C ATOM 383 CD GLU A 25 -10.213 -2.741 10.723 1.00 0.00 C ATOM 384 OE1 GLU A 25 -9.658 -2.304 11.753 1.00 0.00 O ATOM 385 OE2 GLU A 25 -11.403 -3.115 10.692 1.00 0.00 O ATOM 0 H GLU A 25 -8.545 -2.351 7.540 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.654 -4.223 8.414 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -9.250 -4.952 9.368 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.940 -4.171 10.231 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -8.735 -1.958 9.389 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -10.072 -2.761 8.588 1.00 0.00 H new ATOM 392 N PRO A 26 -9.231 -5.596 6.728 1.00 0.00 N ATOM 393 CA PRO A 26 -9.615 -6.802 5.982 1.00 0.00 C ATOM 394 C PRO A 26 -8.491 -7.276 5.076 1.00 0.00 C ATOM 395 O PRO A 26 -8.376 -8.461 4.762 1.00 0.00 O ATOM 396 CB PRO A 26 -10.813 -6.341 5.157 1.00 0.00 C ATOM 397 CG PRO A 26 -11.427 -5.248 5.960 1.00 0.00 C ATOM 398 CD PRO A 26 -10.298 -4.575 6.697 1.00 0.00 C ATOM 0 HA PRO A 26 -9.839 -7.645 6.636 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.504 -5.985 4.174 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.518 -7.156 4.993 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.948 -4.539 5.316 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -12.164 -5.646 6.658 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.970 -3.671 6.184 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -10.598 -4.280 7.703 1.00 0.00 H new ATOM 406 N LEU A 27 -7.670 -6.324 4.659 1.00 0.00 N ATOM 407 CA LEU A 27 -6.526 -6.597 3.808 1.00 0.00 C ATOM 408 C LEU A 27 -5.452 -7.330 4.604 1.00 0.00 C ATOM 409 O LEU A 27 -4.939 -8.367 4.181 1.00 0.00 O ATOM 410 CB LEU A 27 -5.975 -5.275 3.280 1.00 0.00 C ATOM 411 CG LEU A 27 -6.789 -4.632 2.153 1.00 0.00 C ATOM 412 CD1 LEU A 27 -6.352 -3.192 1.931 1.00 0.00 C ATOM 413 CD2 LEU A 27 -6.647 -5.435 0.869 1.00 0.00 C ATOM 0 H LEU A 27 -7.780 -5.340 4.903 1.00 0.00 H new ATOM 0 HA LEU A 27 -6.830 -7.226 2.971 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.912 -4.570 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.958 -5.440 2.923 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.839 -4.631 2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.942 -2.753 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.504 -2.620 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.296 -3.170 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.232 -4.964 0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -5.598 -5.467 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.009 -6.450 1.033 1.00 0.00 H new ATOM 425 N LEU A 28 -5.129 -6.774 5.766 1.00 0.00 N ATOM 426 CA LEU A 28 -4.131 -7.351 6.658 1.00 0.00 C ATOM 427 C LEU A 28 -4.682 -8.604 7.336 1.00 0.00 C ATOM 428 O LEU A 28 -3.928 -9.436 7.844 1.00 0.00 O ATOM 429 CB LEU A 28 -3.718 -6.304 7.701 1.00 0.00 C ATOM 430 CG LEU A 28 -3.125 -6.849 9.004 1.00 0.00 C ATOM 431 CD1 LEU A 28 -1.798 -7.544 8.743 1.00 0.00 C ATOM 432 CD2 LEU A 28 -2.949 -5.725 10.014 1.00 0.00 C ATOM 0 H LEU A 28 -5.550 -5.913 6.115 1.00 0.00 H new ATOM 0 HA LEU A 28 -3.254 -7.642 6.080 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.988 -5.635 7.245 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.592 -5.702 7.947 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.817 -7.583 9.417 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.395 -7.923 9.682 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.951 -8.373 8.053 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -1.095 -6.834 8.307 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.527 -6.126 10.935 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.277 -4.971 9.605 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.917 -5.272 10.226 1.00 0.00 H new ATOM 444 N GLU A 29 -6.003 -8.739 7.326 1.00 0.00 N ATOM 445 CA GLU A 29 -6.661 -9.884 7.937 1.00 0.00 C ATOM 446 C GLU A 29 -6.633 -11.079 6.992 1.00 0.00 C ATOM 447 O GLU A 29 -6.436 -12.219 7.415 1.00 0.00 O ATOM 448 CB GLU A 29 -8.105 -9.535 8.304 1.00 0.00 C ATOM 449 CG GLU A 29 -8.215 -8.515 9.425 1.00 0.00 C ATOM 450 CD GLU A 29 -9.650 -8.117 9.715 1.00 0.00 C ATOM 451 OE1 GLU A 29 -10.298 -8.794 10.541 1.00 0.00 O ATOM 452 OE2 GLU A 29 -10.125 -7.130 9.116 1.00 0.00 O ATOM 0 H GLU A 29 -6.640 -8.066 6.899 1.00 0.00 H new ATOM 0 HA GLU A 29 -6.123 -10.147 8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.613 -9.148 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -8.627 -10.445 8.599 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.766 -8.925 10.330 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -7.642 -7.626 9.160 1.00 0.00 H new ATOM 459 N SER A 30 -6.835 -10.803 5.707 1.00 0.00 N ATOM 460 CA SER A 30 -6.839 -11.841 4.683 1.00 0.00 C ATOM 461 C SER A 30 -5.460 -12.477 4.517 1.00 0.00 C ATOM 462 O SER A 30 -5.318 -13.495 3.841 1.00 0.00 O ATOM 463 CB SER A 30 -7.303 -11.257 3.347 1.00 0.00 C ATOM 464 OG SER A 30 -7.305 -12.245 2.331 1.00 0.00 O ATOM 0 H SER A 30 -6.999 -9.862 5.349 1.00 0.00 H new ATOM 0 HA SER A 30 -7.531 -12.619 5.004 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.305 -10.842 3.457 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.647 -10.436 3.058 1.00 0.00 H new ATOM 0 HG SER A 30 -6.704 -12.976 2.585 1.00 0.00 H new ATOM 470 N LEU A 31 -4.445 -11.873 5.129 1.00 0.00 N ATOM 471 CA LEU A 31 -3.082 -12.390 5.031 1.00 0.00 C ATOM 472 C LEU A 31 -2.973 -13.776 5.661 1.00 0.00 C ATOM 473 O LEU A 31 -2.052 -14.535 5.356 1.00 0.00 O ATOM 474 CB LEU A 31 -2.091 -11.430 5.696 1.00 0.00 C ATOM 475 CG LEU A 31 -2.003 -10.037 5.064 1.00 0.00 C ATOM 476 CD1 LEU A 31 -0.890 -9.228 5.711 1.00 0.00 C ATOM 477 CD2 LEU A 31 -1.780 -10.137 3.559 1.00 0.00 C ATOM 0 H LEU A 31 -4.539 -11.030 5.695 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.834 -12.474 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.367 -11.318 6.745 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.100 -11.884 5.674 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.950 -9.526 5.236 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.842 -8.242 5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.091 -9.121 6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.061 -9.741 5.571 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.721 -9.136 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.850 -10.670 3.364 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.610 -10.677 3.103 1.00 0.00 H new ATOM 489 N SER A 32 -3.916 -14.100 6.538 1.00 0.00 N ATOM 490 CA SER A 32 -3.925 -15.399 7.205 1.00 0.00 C ATOM 491 C SER A 32 -4.996 -16.308 6.609 1.00 0.00 C ATOM 492 O SER A 32 -5.271 -17.387 7.134 1.00 0.00 O ATOM 493 CB SER A 32 -4.167 -15.224 8.704 1.00 0.00 C ATOM 494 OG SER A 32 -5.405 -14.581 8.949 1.00 0.00 O ATOM 0 H SER A 32 -4.683 -13.483 6.804 1.00 0.00 H new ATOM 0 HA SER A 32 -2.951 -15.865 7.053 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.156 -16.198 9.193 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.357 -14.639 9.140 1.00 0.00 H new ATOM 0 HG SER A 32 -5.537 -14.482 9.915 1.00 0.00 H new ATOM 500 N ASN A 33 -5.593 -15.864 5.508 1.00 0.00 N ATOM 501 CA ASN A 33 -6.638 -16.629 4.837 1.00 0.00 C ATOM 502 C ASN A 33 -6.091 -17.941 4.285 1.00 0.00 C ATOM 503 O ASN A 33 -4.917 -18.035 3.927 1.00 0.00 O ATOM 504 CB ASN A 33 -7.252 -15.800 3.708 1.00 0.00 C ATOM 505 CG ASN A 33 -8.539 -16.401 3.182 1.00 0.00 C ATOM 506 OD1 ASN A 33 -8.528 -17.200 2.246 1.00 0.00 O ATOM 507 ND2 ASN A 33 -9.659 -16.016 3.780 1.00 0.00 N ATOM 0 H ASN A 33 -5.370 -14.975 5.060 1.00 0.00 H new ATOM 0 HA ASN A 33 -7.409 -16.865 5.570 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -7.447 -14.790 4.068 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -6.534 -15.715 2.892 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -10.557 -16.385 3.467 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.622 -15.351 4.553 1.00 0.00 H new ATOM 514 N GLU A 34 -6.953 -18.951 4.216 1.00 0.00 N ATOM 515 CA GLU A 34 -6.569 -20.259 3.710 1.00 0.00 C ATOM 516 C GLU A 34 -6.265 -20.195 2.215 1.00 0.00 C ATOM 517 O GLU A 34 -5.275 -20.760 1.747 1.00 0.00 O ATOM 518 CB GLU A 34 -7.689 -21.264 3.981 1.00 0.00 C ATOM 519 CG GLU A 34 -7.489 -22.601 3.296 1.00 0.00 C ATOM 520 CD GLU A 34 -6.280 -23.351 3.818 1.00 0.00 C ATOM 521 OE1 GLU A 34 -5.166 -23.109 3.310 1.00 0.00 O ATOM 522 OE2 GLU A 34 -6.448 -24.182 4.735 1.00 0.00 O ATOM 0 H GLU A 34 -7.928 -18.885 4.507 1.00 0.00 H new ATOM 0 HA GLU A 34 -5.664 -20.581 4.225 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -7.768 -21.425 5.056 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.636 -20.836 3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.380 -23.213 3.437 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.377 -22.442 2.223 1.00 0.00 H new ATOM 529 N ASP A 35 -7.125 -19.506 1.472 1.00 0.00 N ATOM 530 CA ASP A 35 -6.952 -19.366 0.030 1.00 0.00 C ATOM 531 C ASP A 35 -5.885 -18.326 -0.294 1.00 0.00 C ATOM 532 O ASP A 35 -5.877 -17.233 0.272 1.00 0.00 O ATOM 533 CB ASP A 35 -8.277 -18.975 -0.628 1.00 0.00 C ATOM 534 CG ASP A 35 -9.351 -20.028 -0.437 1.00 0.00 C ATOM 535 OD1 ASP A 35 -9.388 -20.990 -1.233 1.00 0.00 O ATOM 536 OD2 ASP A 35 -10.155 -19.890 0.509 1.00 0.00 O ATOM 0 H ASP A 35 -7.950 -19.035 1.845 1.00 0.00 H new ATOM 0 HA ASP A 35 -6.626 -20.328 -0.365 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -8.621 -18.029 -0.210 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.116 -18.813 -1.694 1.00 0.00 H new ATOM 541 N TRP A 36 -4.986 -18.676 -1.209 1.00 0.00 N ATOM 542 CA TRP A 36 -3.915 -17.773 -1.613 1.00 0.00 C ATOM 543 C TRP A 36 -4.429 -16.740 -2.608 1.00 0.00 C ATOM 544 O TRP A 36 -3.844 -15.669 -2.766 1.00 0.00 O ATOM 545 CB TRP A 36 -2.758 -18.564 -2.229 1.00 0.00 C ATOM 546 CG TRP A 36 -2.249 -19.659 -1.341 1.00 0.00 C ATOM 547 CD1 TRP A 36 -2.232 -19.668 0.023 1.00 0.00 C ATOM 548 CD2 TRP A 36 -1.680 -20.905 -1.757 1.00 0.00 C ATOM 549 NE1 TRP A 36 -1.689 -20.844 0.481 1.00 0.00 N ATOM 550 CE2 TRP A 36 -1.342 -21.619 -0.592 1.00 0.00 C ATOM 551 CE3 TRP A 36 -1.424 -21.489 -3.002 1.00 0.00 C ATOM 552 CZ2 TRP A 36 -0.763 -22.882 -0.634 1.00 0.00 C ATOM 553 CZ3 TRP A 36 -0.848 -22.744 -3.041 1.00 0.00 C ATOM 554 CH2 TRP A 36 -0.524 -23.429 -1.863 1.00 0.00 C ATOM 0 H TRP A 36 -4.978 -19.578 -1.684 1.00 0.00 H new ATOM 0 HA TRP A 36 -3.555 -17.251 -0.726 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.085 -18.995 -3.175 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -1.940 -17.880 -2.456 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -2.593 -18.867 0.651 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -1.565 -21.098 1.461 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.672 -20.969 -3.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -0.511 -23.412 0.273 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.644 -23.205 -3.996 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -0.076 -24.410 -1.927 1.00 0.00 H new ATOM 565 N ARG A 37 -5.526 -17.073 -3.277 1.00 0.00 N ATOM 566 CA ARG A 37 -6.131 -16.175 -4.253 1.00 0.00 C ATOM 567 C ARG A 37 -6.582 -14.883 -3.581 1.00 0.00 C ATOM 568 O ARG A 37 -6.296 -13.787 -4.064 1.00 0.00 O ATOM 569 CB ARG A 37 -7.326 -16.850 -4.930 1.00 0.00 C ATOM 570 CG ARG A 37 -6.971 -18.137 -5.655 1.00 0.00 C ATOM 571 CD ARG A 37 -8.187 -18.734 -6.346 1.00 0.00 C ATOM 572 NE ARG A 37 -8.773 -17.808 -7.310 1.00 0.00 N ATOM 573 CZ ARG A 37 -9.957 -17.991 -7.888 1.00 0.00 C ATOM 574 NH1 ARG A 37 -10.681 -19.065 -7.602 1.00 0.00 N ATOM 575 NH2 ARG A 37 -10.419 -17.097 -8.751 1.00 0.00 N ATOM 0 H ARG A 37 -6.016 -17.960 -3.161 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.382 -15.938 -5.009 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -8.085 -17.065 -4.178 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -7.770 -16.154 -5.641 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -6.192 -17.939 -6.391 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.563 -18.857 -4.945 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.900 -19.655 -6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.934 -19.002 -5.599 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.243 -16.971 -7.555 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -10.330 -19.754 -6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -11.588 -19.202 -8.047 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -9.867 -16.269 -8.972 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -11.327 -17.238 -9.194 1.00 0.00 H new ATOM 589 N ILE A 38 -7.289 -15.026 -2.464 1.00 0.00 N ATOM 590 CA ILE A 38 -7.781 -13.875 -1.715 1.00 0.00 C ATOM 591 C ILE A 38 -6.648 -13.214 -0.939 1.00 0.00 C ATOM 592 O ILE A 38 -6.594 -11.990 -0.821 1.00 0.00 O ATOM 593 CB ILE A 38 -8.898 -14.283 -0.735 1.00 0.00 C ATOM 594 CG1 ILE A 38 -9.977 -15.088 -1.466 1.00 0.00 C ATOM 595 CG2 ILE A 38 -9.501 -13.050 -0.075 1.00 0.00 C ATOM 596 CD1 ILE A 38 -11.021 -15.684 -0.545 1.00 0.00 C ATOM 0 H ILE A 38 -7.534 -15.929 -2.057 1.00 0.00 H new ATOM 0 HA ILE A 38 -8.188 -13.166 -2.437 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.468 -14.912 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -10.471 -14.441 -2.191 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -9.500 -15.891 -2.028 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -10.288 -13.355 0.614 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -8.726 -12.515 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -9.921 -12.397 -0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -11.751 -16.239 -1.134 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -10.539 -16.357 0.164 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -11.525 -14.885 -0.001 1.00 0.00 H new ATOM 608 N ARG A 39 -5.748 -14.037 -0.409 1.00 0.00 N ATOM 609 CA ARG A 39 -4.608 -13.538 0.352 1.00 0.00 C ATOM 610 C ARG A 39 -3.729 -12.658 -0.531 1.00 0.00 C ATOM 611 O ARG A 39 -3.121 -11.696 -0.062 1.00 0.00 O ATOM 612 CB ARG A 39 -3.798 -14.712 0.913 1.00 0.00 C ATOM 613 CG ARG A 39 -2.893 -14.344 2.082 1.00 0.00 C ATOM 614 CD ARG A 39 -1.563 -13.773 1.616 1.00 0.00 C ATOM 615 NE ARG A 39 -0.610 -13.650 2.715 1.00 0.00 N ATOM 616 CZ ARG A 39 0.208 -14.628 3.096 1.00 0.00 C ATOM 617 NH1 ARG A 39 0.175 -15.803 2.482 1.00 0.00 N ATOM 618 NH2 ARG A 39 1.057 -14.433 4.096 1.00 0.00 N ATOM 0 H ARG A 39 -5.786 -15.053 -0.493 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.974 -12.936 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.487 -15.494 1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.188 -15.133 0.114 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.398 -13.615 2.716 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.713 -15.228 2.694 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.143 -14.415 0.841 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.726 -12.794 1.165 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.569 -12.764 3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.479 -15.959 1.715 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.804 -16.550 2.777 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.084 -13.532 4.574 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.683 -15.184 4.387 1.00 0.00 H new ATOM 632 N GLY A 40 -3.676 -12.994 -1.817 1.00 0.00 N ATOM 633 CA GLY A 40 -2.876 -12.229 -2.755 1.00 0.00 C ATOM 634 C GLY A 40 -3.449 -10.849 -3.008 1.00 0.00 C ATOM 635 O GLY A 40 -2.773 -9.843 -2.797 1.00 0.00 O ATOM 0 H GLY A 40 -4.174 -13.784 -2.226 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.861 -12.133 -2.370 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.809 -12.771 -3.698 1.00 0.00 H new ATOM 639 N ALA A 41 -4.702 -10.806 -3.464 1.00 0.00 N ATOM 640 CA ALA A 41 -5.382 -9.546 -3.746 1.00 0.00 C ATOM 641 C ALA A 41 -5.187 -8.546 -2.612 1.00 0.00 C ATOM 642 O ALA A 41 -5.190 -7.336 -2.832 1.00 0.00 O ATOM 643 CB ALA A 41 -6.865 -9.790 -3.987 1.00 0.00 C ATOM 0 H ALA A 41 -5.267 -11.636 -3.646 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.942 -9.120 -4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -7.360 -8.842 -4.196 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -6.990 -10.460 -4.838 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -7.308 -10.243 -3.100 1.00 0.00 H new ATOM 649 N ALA A 42 -5.019 -9.061 -1.396 1.00 0.00 N ATOM 650 CA ALA A 42 -4.808 -8.210 -0.233 1.00 0.00 C ATOM 651 C ALA A 42 -3.585 -7.326 -0.438 1.00 0.00 C ATOM 652 O ALA A 42 -3.663 -6.102 -0.335 1.00 0.00 O ATOM 653 CB ALA A 42 -4.651 -9.056 1.022 1.00 0.00 C ATOM 0 H ALA A 42 -5.025 -10.061 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 42 -5.680 -7.569 -0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -4.494 -8.405 1.882 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.552 -9.650 1.176 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -3.794 -9.720 0.908 1.00 0.00 H new ATOM 659 N ALA A 43 -2.457 -7.962 -0.735 1.00 0.00 N ATOM 660 CA ALA A 43 -1.206 -7.249 -0.972 1.00 0.00 C ATOM 661 C ALA A 43 -1.320 -6.356 -2.204 1.00 0.00 C ATOM 662 O ALA A 43 -0.665 -5.319 -2.302 1.00 0.00 O ATOM 663 CB ALA A 43 -0.079 -8.245 -1.166 1.00 0.00 C ATOM 0 H ALA A 43 -2.383 -8.976 -0.818 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.994 -6.622 -0.106 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.854 -7.709 -1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.020 -8.861 -0.272 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.300 -8.882 -2.023 1.00 0.00 H new ATOM 669 N TRP A 44 -2.163 -6.779 -3.140 1.00 0.00 N ATOM 670 CA TRP A 44 -2.372 -6.056 -4.391 1.00 0.00 C ATOM 671 C TRP A 44 -3.012 -4.683 -4.167 1.00 0.00 C ATOM 672 O TRP A 44 -2.730 -3.732 -4.895 1.00 0.00 O ATOM 673 CB TRP A 44 -3.237 -6.897 -5.332 1.00 0.00 C ATOM 674 CG TRP A 44 -2.437 -7.861 -6.152 1.00 0.00 C ATOM 675 CD1 TRP A 44 -1.854 -9.014 -5.718 1.00 0.00 C ATOM 676 CD2 TRP A 44 -2.127 -7.753 -7.547 1.00 0.00 C ATOM 677 NE1 TRP A 44 -1.194 -9.628 -6.755 1.00 0.00 N ATOM 678 CE2 TRP A 44 -1.348 -8.875 -7.888 1.00 0.00 C ATOM 679 CE3 TRP A 44 -2.432 -6.818 -8.540 1.00 0.00 C ATOM 680 CZ2 TRP A 44 -0.869 -9.085 -9.177 1.00 0.00 C ATOM 681 CZ3 TRP A 44 -1.955 -7.028 -9.821 1.00 0.00 C ATOM 682 CH2 TRP A 44 -1.181 -8.154 -10.129 1.00 0.00 C ATOM 0 H TRP A 44 -2.719 -7.630 -3.054 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.395 -5.884 -4.842 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -3.972 -7.449 -4.746 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -3.791 -6.235 -5.997 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -1.904 -9.390 -4.707 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -0.674 -10.503 -6.691 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.029 -5.948 -8.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -0.272 -9.952 -9.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.183 -6.312 -10.597 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.823 -8.290 -11.139 1.00 0.00 H new ATOM 693 N ILE A 45 -3.885 -4.589 -3.173 1.00 0.00 N ATOM 694 CA ILE A 45 -4.571 -3.336 -2.869 1.00 0.00 C ATOM 695 C ILE A 45 -3.938 -2.624 -1.678 1.00 0.00 C ATOM 696 O ILE A 45 -4.104 -1.418 -1.503 1.00 0.00 O ATOM 697 CB ILE A 45 -6.068 -3.566 -2.569 1.00 0.00 C ATOM 698 CG1 ILE A 45 -6.698 -4.455 -3.645 1.00 0.00 C ATOM 699 CG2 ILE A 45 -6.801 -2.234 -2.478 1.00 0.00 C ATOM 700 CD1 ILE A 45 -8.133 -4.838 -3.349 1.00 0.00 C ATOM 0 H ILE A 45 -4.137 -5.366 -2.561 1.00 0.00 H new ATOM 0 HA ILE A 45 -4.473 -2.711 -3.757 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.156 -4.074 -1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.659 -3.936 -4.603 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.103 -5.362 -3.750 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.855 -2.413 -2.266 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -6.367 -1.634 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.706 -1.701 -3.424 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.515 -5.467 -4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.177 -5.385 -2.407 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.742 -3.937 -3.273 1.00 0.00 H new ATOM 712 N ILE A 46 -3.210 -3.378 -0.863 1.00 0.00 N ATOM 713 CA ILE A 46 -2.584 -2.829 0.334 1.00 0.00 C ATOM 714 C ILE A 46 -1.589 -1.710 0.015 1.00 0.00 C ATOM 715 O ILE A 46 -1.489 -0.737 0.762 1.00 0.00 O ATOM 716 CB ILE A 46 -1.898 -3.934 1.167 1.00 0.00 C ATOM 717 CG1 ILE A 46 -1.985 -3.590 2.651 1.00 0.00 C ATOM 718 CG2 ILE A 46 -0.448 -4.132 0.742 1.00 0.00 C ATOM 719 CD1 ILE A 46 -2.113 -4.801 3.547 1.00 0.00 C ATOM 0 H ILE A 46 -3.038 -4.373 -1.009 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.388 -2.392 0.927 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.420 -4.874 0.988 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.096 -3.029 2.938 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.841 -2.936 2.814 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.005 -4.917 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.413 -4.419 -0.309 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.103 -3.202 0.882 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.170 -4.480 4.587 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -3.017 -5.352 3.288 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.245 -5.446 3.413 1.00 0.00 H new ATOM 731 N GLY A 47 -0.857 -1.844 -1.088 1.00 0.00 N ATOM 732 CA GLY A 47 0.109 -0.822 -1.454 1.00 0.00 C ATOM 733 C GLY A 47 -0.546 0.445 -1.968 1.00 0.00 C ATOM 734 O GLY A 47 0.122 1.457 -2.178 1.00 0.00 O ATOM 0 H GLY A 47 -0.914 -2.635 -1.730 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.724 -0.582 -0.587 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.777 -1.217 -2.219 1.00 0.00 H new ATOM 738 N ASN A 48 -1.858 0.386 -2.171 1.00 0.00 N ATOM 739 CA ASN A 48 -2.610 1.531 -2.674 1.00 0.00 C ATOM 740 C ASN A 48 -2.719 2.637 -1.624 1.00 0.00 C ATOM 741 O ASN A 48 -2.933 3.802 -1.964 1.00 0.00 O ATOM 742 CB ASN A 48 -4.011 1.098 -3.121 1.00 0.00 C ATOM 743 CG ASN A 48 -3.984 0.086 -4.254 1.00 0.00 C ATOM 744 OD1 ASN A 48 -4.750 0.193 -5.210 1.00 0.00 O ATOM 745 ND2 ASN A 48 -3.115 -0.914 -4.145 1.00 0.00 N ATOM 0 H ASN A 48 -2.424 -0.444 -1.995 1.00 0.00 H new ATOM 0 HA ASN A 48 -2.066 1.929 -3.531 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -4.542 0.670 -2.271 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -4.573 1.976 -3.438 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -3.067 -1.629 -4.871 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -2.497 -0.966 -3.336 1.00 0.00 H new ATOM 752 N PHE A 49 -2.575 2.274 -0.352 1.00 0.00 N ATOM 753 CA PHE A 49 -2.672 3.249 0.735 1.00 0.00 C ATOM 754 C PHE A 49 -1.322 3.896 1.036 1.00 0.00 C ATOM 755 O PHE A 49 -1.263 5.062 1.428 1.00 0.00 O ATOM 756 CB PHE A 49 -3.228 2.588 1.995 1.00 0.00 C ATOM 757 CG PHE A 49 -4.651 2.132 1.850 1.00 0.00 C ATOM 758 CD1 PHE A 49 -5.700 2.989 2.143 1.00 0.00 C ATOM 759 CD2 PHE A 49 -4.941 0.848 1.418 1.00 0.00 C ATOM 760 CE1 PHE A 49 -7.011 2.574 2.006 1.00 0.00 C ATOM 761 CE2 PHE A 49 -6.249 0.427 1.280 1.00 0.00 C ATOM 762 CZ PHE A 49 -7.286 1.291 1.574 1.00 0.00 C ATOM 0 H PHE A 49 -2.392 1.318 -0.048 1.00 0.00 H new ATOM 0 HA PHE A 49 -3.354 4.035 0.410 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -2.604 1.732 2.253 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.162 3.292 2.825 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.490 3.993 2.482 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.134 0.168 1.186 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -7.820 3.252 2.236 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -6.461 -0.577 0.943 1.00 0.00 H new ATOM 0 HZ PHE A 49 -8.310 0.964 1.466 1.00 0.00 H new ATOM 772 N GLN A 50 -0.244 3.133 0.861 1.00 0.00 N ATOM 773 CA GLN A 50 1.107 3.636 1.105 1.00 0.00 C ATOM 774 C GLN A 50 1.333 3.946 2.584 1.00 0.00 C ATOM 775 O GLN A 50 2.255 4.682 2.936 1.00 0.00 O ATOM 776 CB GLN A 50 1.365 4.893 0.268 1.00 0.00 C ATOM 777 CG GLN A 50 1.136 4.689 -1.220 1.00 0.00 C ATOM 778 CD GLN A 50 1.007 5.997 -1.974 1.00 0.00 C ATOM 779 OE1 GLN A 50 1.999 6.568 -2.429 1.00 0.00 O ATOM 780 NE2 GLN A 50 -0.222 6.480 -2.111 1.00 0.00 N ATOM 0 H GLN A 50 -0.280 2.162 0.550 1.00 0.00 H new ATOM 0 HA GLN A 50 1.807 2.854 0.812 1.00 0.00 H new ATOM 0 HB2 GLN A 50 0.716 5.694 0.621 1.00 0.00 H new ATOM 0 HB3 GLN A 50 2.392 5.221 0.428 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.964 4.114 -1.636 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.232 4.098 -1.367 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.016 5.974 -1.718 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.373 7.357 -2.609 1.00 0.00 H new ATOM 789 N ASP A 51 0.494 3.378 3.447 1.00 0.00 N ATOM 790 CA ASP A 51 0.614 3.602 4.886 1.00 0.00 C ATOM 791 C ASP A 51 1.603 2.617 5.508 1.00 0.00 C ATOM 792 O ASP A 51 2.030 1.660 4.861 1.00 0.00 O ATOM 793 CB ASP A 51 -0.756 3.474 5.558 1.00 0.00 C ATOM 794 CG ASP A 51 -0.725 3.862 7.023 1.00 0.00 C ATOM 795 OD1 ASP A 51 -0.742 5.076 7.316 1.00 0.00 O ATOM 796 OD2 ASP A 51 -0.684 2.952 7.877 1.00 0.00 O ATOM 0 H ASP A 51 -0.273 2.762 3.177 1.00 0.00 H new ATOM 0 HA ASP A 51 0.992 4.612 5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -1.474 4.105 5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -1.107 2.446 5.465 1.00 0.00 H new ATOM 801 N GLU A 52 1.963 2.858 6.767 1.00 0.00 N ATOM 802 CA GLU A 52 2.910 1.999 7.475 1.00 0.00 C ATOM 803 C GLU A 52 2.354 0.591 7.671 1.00 0.00 C ATOM 804 O GLU A 52 3.094 -0.391 7.598 1.00 0.00 O ATOM 805 CB GLU A 52 3.270 2.613 8.831 1.00 0.00 C ATOM 806 CG GLU A 52 2.071 2.846 9.735 1.00 0.00 C ATOM 807 CD GLU A 52 2.452 3.487 11.056 1.00 0.00 C ATOM 808 OE1 GLU A 52 2.539 4.732 11.109 1.00 0.00 O ATOM 809 OE2 GLU A 52 2.665 2.743 12.037 1.00 0.00 O ATOM 0 H GLU A 52 1.613 3.642 7.318 1.00 0.00 H new ATOM 0 HA GLU A 52 3.809 1.922 6.863 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.976 1.957 9.341 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.779 3.563 8.666 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.351 3.483 9.221 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.575 1.895 9.927 1.00 0.00 H new ATOM 816 N ARG A 53 1.052 0.497 7.922 1.00 0.00 N ATOM 817 CA ARG A 53 0.400 -0.794 8.131 1.00 0.00 C ATOM 818 C ARG A 53 0.378 -1.613 6.842 1.00 0.00 C ATOM 819 O ARG A 53 0.042 -2.798 6.853 1.00 0.00 O ATOM 820 CB ARG A 53 -1.026 -0.591 8.656 1.00 0.00 C ATOM 821 CG ARG A 53 -1.737 -1.887 9.016 1.00 0.00 C ATOM 822 CD ARG A 53 -3.050 -1.619 9.730 1.00 0.00 C ATOM 823 NE ARG A 53 -2.857 -0.845 10.954 1.00 0.00 N ATOM 824 CZ ARG A 53 -3.811 -0.637 11.857 1.00 0.00 C ATOM 825 NH1 ARG A 53 -5.024 -1.143 11.675 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.554 0.077 12.943 1.00 0.00 N ATOM 0 H ARG A 53 0.426 1.300 7.986 1.00 0.00 H new ATOM 0 HA ARG A 53 0.975 -1.347 8.874 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -0.991 0.050 9.537 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.610 -0.065 7.901 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.925 -2.464 8.111 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.092 -2.493 9.652 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -3.723 -1.081 9.062 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.532 -2.566 9.972 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.937 -0.440 11.126 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.227 -1.693 10.841 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.753 -0.982 12.370 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -2.623 0.468 13.088 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.287 0.235 13.634 1.00 0.00 H new ATOM 840 N ALA A 54 0.744 -0.977 5.734 1.00 0.00 N ATOM 841 CA ALA A 54 0.760 -1.645 4.439 1.00 0.00 C ATOM 842 C ALA A 54 2.186 -1.976 4.031 1.00 0.00 C ATOM 843 O ALA A 54 2.435 -2.475 2.934 1.00 0.00 O ATOM 844 CB ALA A 54 0.094 -0.770 3.385 1.00 0.00 C ATOM 0 H ALA A 54 1.034 0.001 5.708 1.00 0.00 H new ATOM 0 HA ALA A 54 0.200 -2.576 4.521 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.113 -1.281 2.423 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.939 -0.577 3.673 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.631 0.175 3.304 1.00 0.00 H new ATOM 850 N VAL A 55 3.117 -1.697 4.934 1.00 0.00 N ATOM 851 CA VAL A 55 4.528 -1.947 4.688 1.00 0.00 C ATOM 852 C VAL A 55 4.946 -3.338 5.161 1.00 0.00 C ATOM 853 O VAL A 55 5.815 -3.969 4.561 1.00 0.00 O ATOM 854 CB VAL A 55 5.399 -0.888 5.389 1.00 0.00 C ATOM 855 CG1 VAL A 55 6.869 -1.142 5.125 1.00 0.00 C ATOM 856 CG2 VAL A 55 5.007 0.511 4.938 1.00 0.00 C ATOM 0 H VAL A 55 2.916 -1.295 5.849 1.00 0.00 H new ATOM 0 HA VAL A 55 4.679 -1.888 3.610 1.00 0.00 H new ATOM 0 HB VAL A 55 5.228 -0.963 6.463 1.00 0.00 H new ATOM 0 HG11 VAL A 55 7.466 -0.382 5.630 1.00 0.00 H new ATOM 0 HG12 VAL A 55 7.142 -2.127 5.503 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.059 -1.099 4.052 1.00 0.00 H new ATOM 0 HG21 VAL A 55 5.634 1.245 5.444 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.145 0.598 3.860 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.961 0.694 5.186 1.00 0.00 H new ATOM 866 N GLU A 56 4.322 -3.812 6.237 1.00 0.00 N ATOM 867 CA GLU A 56 4.641 -5.130 6.786 1.00 0.00 C ATOM 868 C GLU A 56 4.387 -6.246 5.768 1.00 0.00 C ATOM 869 O GLU A 56 5.255 -7.092 5.555 1.00 0.00 O ATOM 870 CB GLU A 56 3.850 -5.391 8.072 1.00 0.00 C ATOM 871 CG GLU A 56 4.148 -6.743 8.701 1.00 0.00 C ATOM 872 CD GLU A 56 3.255 -7.849 8.170 1.00 0.00 C ATOM 873 OE1 GLU A 56 2.092 -7.940 8.618 1.00 0.00 O ATOM 874 OE2 GLU A 56 3.718 -8.625 7.307 1.00 0.00 O ATOM 0 H GLU A 56 3.596 -3.307 6.745 1.00 0.00 H new ATOM 0 HA GLU A 56 5.705 -5.132 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.075 -4.606 8.794 1.00 0.00 H new ATOM 0 HB3 GLU A 56 2.784 -5.327 7.853 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.190 -7.003 8.515 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.025 -6.671 9.782 1.00 0.00 H new ATOM 881 N PRO A 57 3.195 -6.283 5.133 1.00 0.00 N ATOM 882 CA PRO A 57 2.868 -7.311 4.138 1.00 0.00 C ATOM 883 C PRO A 57 3.983 -7.514 3.124 1.00 0.00 C ATOM 884 O PRO A 57 4.407 -8.638 2.869 1.00 0.00 O ATOM 885 CB PRO A 57 1.629 -6.747 3.451 1.00 0.00 C ATOM 886 CG PRO A 57 0.967 -5.922 4.496 1.00 0.00 C ATOM 887 CD PRO A 57 2.074 -5.341 5.334 1.00 0.00 C ATOM 0 HA PRO A 57 2.718 -8.289 4.596 1.00 0.00 H new ATOM 0 HB2 PRO A 57 1.896 -6.147 2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 57 0.973 -7.543 3.099 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.364 -5.133 4.046 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.296 -6.529 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 57 2.335 -4.333 5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 57 1.789 -5.275 6.384 1.00 0.00 H new ATOM 895 N LEU A 58 4.461 -6.413 2.561 1.00 0.00 N ATOM 896 CA LEU A 58 5.519 -6.461 1.562 1.00 0.00 C ATOM 897 C LEU A 58 6.780 -7.123 2.107 1.00 0.00 C ATOM 898 O LEU A 58 7.549 -7.719 1.355 1.00 0.00 O ATOM 899 CB LEU A 58 5.845 -5.046 1.077 1.00 0.00 C ATOM 900 CG LEU A 58 4.642 -4.108 0.945 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.078 -2.752 0.417 1.00 0.00 C ATOM 902 CD2 LEU A 58 3.579 -4.717 0.042 1.00 0.00 C ATOM 0 H LEU A 58 4.131 -5.473 2.780 1.00 0.00 H new ATOM 0 HA LEU A 58 5.159 -7.062 0.727 1.00 0.00 H new ATOM 0 HB2 LEU A 58 6.560 -4.598 1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 58 6.339 -5.116 0.108 1.00 0.00 H new ATOM 0 HG LEU A 58 4.208 -3.969 1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.210 -2.099 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.798 -2.308 1.104 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.540 -2.874 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.734 -4.033 -0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.999 -4.891 -0.949 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.242 -5.664 0.464 1.00 0.00 H new ATOM 914 N ILE A 59 6.988 -7.026 3.415 1.00 0.00 N ATOM 915 CA ILE A 59 8.173 -7.606 4.035 1.00 0.00 C ATOM 916 C ILE A 59 8.215 -9.128 3.895 1.00 0.00 C ATOM 917 O ILE A 59 9.136 -9.675 3.287 1.00 0.00 O ATOM 918 CB ILE A 59 8.262 -7.234 5.532 1.00 0.00 C ATOM 919 CG1 ILE A 59 8.295 -5.710 5.704 1.00 0.00 C ATOM 920 CG2 ILE A 59 9.486 -7.876 6.170 1.00 0.00 C ATOM 921 CD1 ILE A 59 9.494 -5.045 5.062 1.00 0.00 C ATOM 0 H ILE A 59 6.356 -6.555 4.063 1.00 0.00 H new ATOM 0 HA ILE A 59 9.028 -7.187 3.504 1.00 0.00 H new ATOM 0 HB ILE A 59 7.375 -7.616 6.037 1.00 0.00 H new ATOM 0 HG12 ILE A 59 7.386 -5.287 5.278 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.288 -5.474 6.768 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.532 -7.603 7.224 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.418 -8.960 6.079 1.00 0.00 H new ATOM 0 HG23 ILE A 59 10.386 -7.525 5.665 1.00 0.00 H new ATOM 0 HD11 ILE A 59 9.445 -3.969 5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.409 -5.439 5.505 1.00 0.00 H new ATOM 0 HD13 ILE A 59 9.493 -5.248 3.991 1.00 0.00 H new ATOM 933 N LYS A 60 7.220 -9.806 4.455 1.00 0.00 N ATOM 934 CA LYS A 60 7.165 -11.267 4.401 1.00 0.00 C ATOM 935 C LYS A 60 6.823 -11.782 3.005 1.00 0.00 C ATOM 936 O LYS A 60 7.372 -12.784 2.556 1.00 0.00 O ATOM 937 CB LYS A 60 6.155 -11.804 5.415 1.00 0.00 C ATOM 938 CG LYS A 60 5.929 -13.304 5.301 1.00 0.00 C ATOM 939 CD LYS A 60 5.721 -13.949 6.660 1.00 0.00 C ATOM 940 CE LYS A 60 4.402 -13.529 7.286 1.00 0.00 C ATOM 941 NZ LYS A 60 4.177 -14.190 8.601 1.00 0.00 N ATOM 0 H LYS A 60 6.441 -9.372 4.951 1.00 0.00 H new ATOM 0 HA LYS A 60 8.161 -11.631 4.653 1.00 0.00 H new ATOM 0 HB2 LYS A 60 6.502 -11.571 6.422 1.00 0.00 H new ATOM 0 HB3 LYS A 60 5.204 -11.289 5.279 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.059 -13.494 4.672 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.785 -13.764 4.808 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.745 -15.034 6.555 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.542 -13.674 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 60 4.390 -12.447 7.417 1.00 0.00 H new ATOM 0 HE3 LYS A 60 3.584 -13.777 6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.267 -13.877 8.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 4.163 -15.222 8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.944 -13.933 9.255 1.00 0.00 H new ATOM 955 N LEU A 61 5.914 -11.090 2.334 1.00 0.00 N ATOM 956 CA LEU A 61 5.454 -11.484 1.002 1.00 0.00 C ATOM 957 C LEU A 61 6.589 -11.636 -0.009 1.00 0.00 C ATOM 958 O LEU A 61 6.689 -12.661 -0.681 1.00 0.00 O ATOM 959 CB LEU A 61 4.439 -10.467 0.493 1.00 0.00 C ATOM 960 CG LEU A 61 2.988 -10.725 0.909 1.00 0.00 C ATOM 961 CD1 LEU A 61 2.901 -11.272 2.328 1.00 0.00 C ATOM 962 CD2 LEU A 61 2.178 -9.448 0.791 1.00 0.00 C ATOM 0 H LEU A 61 5.473 -10.242 2.692 1.00 0.00 H new ATOM 0 HA LEU A 61 4.994 -12.467 1.102 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.731 -9.478 0.848 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.489 -10.443 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 61 2.576 -11.477 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.857 -11.443 2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.449 -12.212 2.390 1.00 0.00 H new ATOM 0 HD13 LEU A 61 3.335 -10.553 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.148 -9.642 1.089 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.606 -8.684 1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.198 -9.099 -0.241 1.00 0.00 H new ATOM 974 N LEU A 62 7.440 -10.622 -0.120 1.00 0.00 N ATOM 975 CA LEU A 62 8.546 -10.661 -1.070 1.00 0.00 C ATOM 976 C LEU A 62 9.491 -11.801 -0.734 1.00 0.00 C ATOM 977 O LEU A 62 10.385 -12.136 -1.511 1.00 0.00 O ATOM 978 CB LEU A 62 9.293 -9.329 -1.060 1.00 0.00 C ATOM 979 CG LEU A 62 8.444 -8.118 -1.445 1.00 0.00 C ATOM 980 CD1 LEU A 62 9.163 -6.829 -1.080 1.00 0.00 C ATOM 981 CD2 LEU A 62 8.120 -8.145 -2.931 1.00 0.00 C ATOM 0 H LEU A 62 7.386 -9.767 0.433 1.00 0.00 H new ATOM 0 HA LEU A 62 8.145 -10.829 -2.069 1.00 0.00 H new ATOM 0 HB2 LEU A 62 9.704 -9.166 -0.064 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.138 -9.396 -1.746 1.00 0.00 H new ATOM 0 HG LEU A 62 7.508 -8.161 -0.888 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.545 -5.976 -1.361 1.00 0.00 H new ATOM 0 HD12 LEU A 62 9.347 -6.806 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 62 10.113 -6.779 -1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.515 -7.275 -3.187 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.046 -8.125 -3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.567 -9.054 -3.166 1.00 0.00 H new ATOM 993 N GLU A 63 9.277 -12.393 0.430 1.00 0.00 N ATOM 994 CA GLU A 63 10.089 -13.496 0.888 1.00 0.00 C ATOM 995 C GLU A 63 9.247 -14.771 0.962 1.00 0.00 C ATOM 996 O GLU A 63 9.776 -15.879 1.055 1.00 0.00 O ATOM 997 CB GLU A 63 10.676 -13.147 2.256 1.00 0.00 C ATOM 998 CG GLU A 63 11.449 -14.278 2.886 1.00 0.00 C ATOM 999 CD GLU A 63 12.036 -13.909 4.235 1.00 0.00 C ATOM 1000 OE1 GLU A 63 13.144 -13.334 4.263 1.00 0.00 O ATOM 1001 OE2 GLU A 63 11.389 -14.197 5.263 1.00 0.00 O ATOM 0 H GLU A 63 8.538 -12.120 1.077 1.00 0.00 H new ATOM 0 HA GLU A 63 10.905 -13.673 0.187 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.332 -12.283 2.151 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.867 -12.853 2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.792 -15.140 3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.253 -14.580 2.215 1.00 0.00 H new ATOM 1008 N ASP A 64 7.928 -14.593 0.914 1.00 0.00 N ATOM 1009 CA ASP A 64 6.986 -15.706 0.980 1.00 0.00 C ATOM 1010 C ASP A 64 7.182 -16.667 -0.180 1.00 0.00 C ATOM 1011 O ASP A 64 7.241 -17.884 0.003 1.00 0.00 O ATOM 1012 CB ASP A 64 5.549 -15.183 0.994 1.00 0.00 C ATOM 1013 CG ASP A 64 4.563 -16.213 1.511 1.00 0.00 C ATOM 1014 OD1 ASP A 64 4.613 -17.368 1.045 1.00 0.00 O ATOM 1015 OD2 ASP A 64 3.741 -15.861 2.385 1.00 0.00 O ATOM 0 H ASP A 64 7.485 -13.678 0.829 1.00 0.00 H new ATOM 0 HA ASP A 64 7.177 -16.251 1.904 1.00 0.00 H new ATOM 0 HB2 ASP A 64 5.497 -14.290 1.616 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.264 -14.886 -0.015 1.00 0.00 H new ATOM 1020 N ASP A 65 7.272 -16.101 -1.368 1.00 0.00 N ATOM 1021 CA ASP A 65 7.459 -16.875 -2.592 1.00 0.00 C ATOM 1022 C ASP A 65 6.281 -17.811 -2.846 1.00 0.00 C ATOM 1023 O ASP A 65 6.435 -18.856 -3.478 1.00 0.00 O ATOM 1024 CB ASP A 65 8.761 -17.680 -2.522 1.00 0.00 C ATOM 1025 CG ASP A 65 9.991 -16.793 -2.556 1.00 0.00 C ATOM 1026 OD1 ASP A 65 10.390 -16.288 -1.487 1.00 0.00 O ATOM 1027 OD2 ASP A 65 10.557 -16.605 -3.654 1.00 0.00 O ATOM 0 H ASP A 65 7.218 -15.093 -1.518 1.00 0.00 H new ATOM 0 HA ASP A 65 7.517 -16.171 -3.422 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.769 -18.274 -1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.798 -18.380 -3.357 1.00 0.00 H new ATOM 1032 N SER A 66 5.100 -17.429 -2.363 1.00 0.00 N ATOM 1033 CA SER A 66 3.902 -18.245 -2.553 1.00 0.00 C ATOM 1034 C SER A 66 3.247 -17.954 -3.902 1.00 0.00 C ATOM 1035 O SER A 66 2.427 -18.734 -4.386 1.00 0.00 O ATOM 1036 CB SER A 66 2.901 -17.993 -1.426 1.00 0.00 C ATOM 1037 OG SER A 66 1.726 -18.768 -1.603 1.00 0.00 O ATOM 0 H SER A 66 4.947 -16.566 -1.841 1.00 0.00 H new ATOM 0 HA SER A 66 4.205 -19.292 -2.535 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.359 -18.236 -0.467 1.00 0.00 H new ATOM 0 HB3 SER A 66 2.641 -16.935 -1.396 1.00 0.00 H new ATOM 0 HG SER A 66 1.579 -18.925 -2.559 1.00 0.00 H new ATOM 1043 N GLY A 67 3.617 -16.825 -4.501 1.00 0.00 N ATOM 1044 CA GLY A 67 3.058 -16.443 -5.788 1.00 0.00 C ATOM 1045 C GLY A 67 2.209 -15.191 -5.690 1.00 0.00 C ATOM 1046 O GLY A 67 2.742 -14.090 -5.580 1.00 0.00 O ATOM 0 H GLY A 67 4.295 -16.166 -4.118 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.867 -16.278 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.453 -17.262 -6.178 1.00 0.00 H new ATOM 1050 N PHE A 68 0.888 -15.354 -5.738 1.00 0.00 N ATOM 1051 CA PHE A 68 -0.021 -14.213 -5.630 1.00 0.00 C ATOM 1052 C PHE A 68 0.347 -13.391 -4.403 1.00 0.00 C ATOM 1053 O PHE A 68 0.123 -12.181 -4.349 1.00 0.00 O ATOM 1054 CB PHE A 68 -1.470 -14.692 -5.515 1.00 0.00 C ATOM 1055 CG PHE A 68 -2.456 -13.895 -6.329 1.00 0.00 C ATOM 1056 CD1 PHE A 68 -2.452 -12.504 -6.313 1.00 0.00 C ATOM 1057 CD2 PHE A 68 -3.399 -14.547 -7.109 1.00 0.00 C ATOM 1058 CE1 PHE A 68 -3.371 -11.788 -7.060 1.00 0.00 C ATOM 1059 CE2 PHE A 68 -4.316 -13.835 -7.857 1.00 0.00 C ATOM 1060 CZ PHE A 68 -4.302 -12.455 -7.832 1.00 0.00 C ATOM 0 H PHE A 68 0.426 -16.256 -5.850 1.00 0.00 H new ATOM 0 HA PHE A 68 0.072 -13.599 -6.526 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.521 -15.736 -5.826 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.769 -14.656 -4.468 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.725 -11.978 -5.712 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -3.417 -15.627 -7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.360 -10.708 -7.039 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -5.043 -14.357 -8.461 1.00 0.00 H new ATOM 0 HZ PHE A 68 -5.019 -11.897 -8.416 1.00 0.00 H new ATOM 1070 N VAL A 69 0.915 -14.078 -3.418 1.00 0.00 N ATOM 1071 CA VAL A 69 1.340 -13.454 -2.177 1.00 0.00 C ATOM 1072 C VAL A 69 2.605 -12.624 -2.392 1.00 0.00 C ATOM 1073 O VAL A 69 2.637 -11.434 -2.080 1.00 0.00 O ATOM 1074 CB VAL A 69 1.607 -14.519 -1.096 1.00 0.00 C ATOM 1075 CG1 VAL A 69 1.825 -13.873 0.261 1.00 0.00 C ATOM 1076 CG2 VAL A 69 0.459 -15.515 -1.041 1.00 0.00 C ATOM 0 H VAL A 69 1.092 -15.082 -3.460 1.00 0.00 H new ATOM 0 HA VAL A 69 0.536 -12.798 -1.844 1.00 0.00 H new ATOM 0 HB VAL A 69 2.518 -15.055 -1.361 1.00 0.00 H new ATOM 0 HG11 VAL A 69 2.011 -14.646 1.006 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.683 -13.203 0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.937 -13.306 0.541 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.661 -16.261 -0.273 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.466 -14.991 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 69 0.358 -16.008 -2.008 1.00 0.00 H new ATOM 1086 N ARG A 70 3.642 -13.262 -2.932 1.00 0.00 N ATOM 1087 CA ARG A 70 4.909 -12.584 -3.189 1.00 0.00 C ATOM 1088 C ARG A 70 4.753 -11.524 -4.278 1.00 0.00 C ATOM 1089 O ARG A 70 4.979 -10.337 -4.040 1.00 0.00 O ATOM 1090 CB ARG A 70 5.986 -13.594 -3.594 1.00 0.00 C ATOM 1091 CG ARG A 70 7.369 -12.976 -3.745 1.00 0.00 C ATOM 1092 CD ARG A 70 8.362 -13.954 -4.351 1.00 0.00 C ATOM 1093 NE ARG A 70 7.845 -14.585 -5.563 1.00 0.00 N ATOM 1094 CZ ARG A 70 8.596 -15.283 -6.410 1.00 0.00 C ATOM 1095 NH1 ARG A 70 9.894 -15.433 -6.181 1.00 0.00 N ATOM 1096 NH2 ARG A 70 8.051 -15.832 -7.486 1.00 0.00 N ATOM 0 H ARG A 70 3.629 -14.246 -3.199 1.00 0.00 H new ATOM 0 HA ARG A 70 5.216 -12.089 -2.267 1.00 0.00 H new ATOM 0 HB2 ARG A 70 6.030 -14.386 -2.847 1.00 0.00 H new ATOM 0 HB3 ARG A 70 5.700 -14.061 -4.537 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.304 -12.088 -4.374 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.730 -12.650 -2.770 1.00 0.00 H new ATOM 0 HD2 ARG A 70 9.289 -13.431 -4.583 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.605 -14.723 -3.618 1.00 0.00 H new ATOM 0 HE ARG A 70 6.852 -14.484 -5.771 1.00 0.00 H new ATOM 0 HH11 ARG A 70 10.318 -15.013 -5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 70 10.468 -15.969 -6.832 1.00 0.00 H new ATOM 0 HH21 ARG A 70 7.053 -15.720 -7.666 1.00 0.00 H new ATOM 0 HH22 ARG A 70 8.629 -16.367 -8.134 1.00 0.00 H new ATOM 1110 N SER A 71 4.376 -11.966 -5.475 1.00 0.00 N ATOM 1111 CA SER A 71 4.181 -11.064 -6.607 1.00 0.00 C ATOM 1112 C SER A 71 3.251 -9.915 -6.234 1.00 0.00 C ATOM 1113 O SER A 71 3.383 -8.805 -6.752 1.00 0.00 O ATOM 1114 CB SER A 71 3.601 -11.829 -7.798 1.00 0.00 C ATOM 1115 OG SER A 71 3.553 -11.015 -8.956 1.00 0.00 O ATOM 0 H SER A 71 4.199 -12.948 -5.687 1.00 0.00 H new ATOM 0 HA SER A 71 5.152 -10.651 -6.881 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.208 -12.712 -7.996 1.00 0.00 H new ATOM 0 HB3 SER A 71 2.598 -12.179 -7.555 1.00 0.00 H new ATOM 0 HG SER A 71 3.180 -11.529 -9.702 1.00 0.00 H new ATOM 1121 N GLY A 72 2.310 -10.189 -5.337 1.00 0.00 N ATOM 1122 CA GLY A 72 1.373 -9.168 -4.909 1.00 0.00 C ATOM 1123 C GLY A 72 2.064 -7.995 -4.245 1.00 0.00 C ATOM 1124 O GLY A 72 1.638 -6.850 -4.391 1.00 0.00 O ATOM 0 H GLY A 72 2.180 -11.101 -4.899 1.00 0.00 H new ATOM 0 HA2 GLY A 72 0.807 -8.813 -5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 72 0.656 -9.605 -4.214 1.00 0.00 H new ATOM 1128 N ALA A 73 3.132 -8.284 -3.512 1.00 0.00 N ATOM 1129 CA ALA A 73 3.889 -7.249 -2.824 1.00 0.00 C ATOM 1130 C ALA A 73 4.915 -6.614 -3.752 1.00 0.00 C ATOM 1131 O ALA A 73 5.339 -5.481 -3.538 1.00 0.00 O ATOM 1132 CB ALA A 73 4.579 -7.829 -1.601 1.00 0.00 C ATOM 0 H ALA A 73 3.493 -9.229 -3.379 1.00 0.00 H new ATOM 0 HA ALA A 73 3.192 -6.474 -2.506 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.142 -7.045 -1.095 1.00 0.00 H new ATOM 0 HB2 ALA A 73 3.831 -8.236 -0.920 1.00 0.00 H new ATOM 0 HB3 ALA A 73 5.259 -8.623 -1.909 1.00 0.00 H new ATOM 1138 N ALA A 74 5.305 -7.351 -4.788 1.00 0.00 N ATOM 1139 CA ALA A 74 6.287 -6.861 -5.747 1.00 0.00 C ATOM 1140 C ALA A 74 5.818 -5.567 -6.402 1.00 0.00 C ATOM 1141 O ALA A 74 6.536 -4.567 -6.409 1.00 0.00 O ATOM 1142 CB ALA A 74 6.564 -7.918 -6.805 1.00 0.00 C ATOM 0 H ALA A 74 4.956 -8.289 -4.984 1.00 0.00 H new ATOM 0 HA ALA A 74 7.210 -6.651 -5.207 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.299 -7.539 -7.515 1.00 0.00 H new ATOM 0 HB2 ALA A 74 6.951 -8.818 -6.327 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.640 -8.156 -7.332 1.00 0.00 H new ATOM 1148 N ARG A 75 4.609 -5.593 -6.955 1.00 0.00 N ATOM 1149 CA ARG A 75 4.046 -4.417 -7.610 1.00 0.00 C ATOM 1150 C ARG A 75 3.487 -3.435 -6.585 1.00 0.00 C ATOM 1151 O ARG A 75 3.259 -2.266 -6.897 1.00 0.00 O ATOM 1152 CB ARG A 75 2.963 -4.817 -8.619 1.00 0.00 C ATOM 1153 CG ARG A 75 2.163 -6.050 -8.225 1.00 0.00 C ATOM 1154 CD ARG A 75 0.745 -5.694 -7.813 1.00 0.00 C ATOM 1155 NE ARG A 75 0.688 -5.133 -6.469 1.00 0.00 N ATOM 1156 CZ ARG A 75 -0.144 -4.162 -6.113 1.00 0.00 C ATOM 1157 NH1 ARG A 75 -0.961 -3.621 -7.008 1.00 0.00 N ATOM 1158 NH2 ARG A 75 -0.158 -3.729 -4.861 1.00 0.00 N ATOM 0 H ARG A 75 4.002 -6.413 -6.963 1.00 0.00 H new ATOM 0 HA ARG A 75 4.851 -3.921 -8.152 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.277 -3.980 -8.749 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.433 -4.997 -9.586 1.00 0.00 H new ATOM 0 HG2 ARG A 75 2.134 -6.747 -9.062 1.00 0.00 H new ATOM 0 HG3 ARG A 75 2.663 -6.560 -7.402 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.331 -4.977 -8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.120 -6.586 -7.860 1.00 0.00 H new ATOM 0 HE ARG A 75 1.322 -5.507 -5.763 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -0.951 -3.951 -7.973 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -1.599 -2.875 -6.731 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.470 -4.142 -4.172 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -0.797 -2.983 -4.587 1.00 0.00 H new ATOM 1172 N SER A 76 3.265 -3.915 -5.364 1.00 0.00 N ATOM 1173 CA SER A 76 2.750 -3.069 -4.295 1.00 0.00 C ATOM 1174 C SER A 76 3.742 -1.961 -3.967 1.00 0.00 C ATOM 1175 O SER A 76 3.366 -0.796 -3.829 1.00 0.00 O ATOM 1176 CB SER A 76 2.468 -3.905 -3.045 1.00 0.00 C ATOM 1177 OG SER A 76 1.979 -3.095 -1.993 1.00 0.00 O ATOM 0 H SER A 76 3.434 -4.884 -5.092 1.00 0.00 H new ATOM 0 HA SER A 76 1.819 -2.616 -4.634 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.740 -4.682 -3.279 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.381 -4.409 -2.727 1.00 0.00 H new ATOM 0 HG SER A 76 1.263 -3.569 -1.521 1.00 0.00 H new ATOM 1183 N LEU A 77 5.012 -2.334 -3.843 1.00 0.00 N ATOM 1184 CA LEU A 77 6.067 -1.374 -3.540 1.00 0.00 C ATOM 1185 C LEU A 77 6.088 -0.267 -4.586 1.00 0.00 C ATOM 1186 O LEU A 77 5.974 0.913 -4.259 1.00 0.00 O ATOM 1187 CB LEU A 77 7.423 -2.078 -3.495 1.00 0.00 C ATOM 1188 CG LEU A 77 7.427 -3.423 -2.771 1.00 0.00 C ATOM 1189 CD1 LEU A 77 8.158 -4.463 -3.601 1.00 0.00 C ATOM 1190 CD2 LEU A 77 8.061 -3.294 -1.395 1.00 0.00 C ATOM 0 H LEU A 77 5.335 -3.296 -3.948 1.00 0.00 H new ATOM 0 HA LEU A 77 5.867 -0.932 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.770 -2.231 -4.517 1.00 0.00 H new ATOM 0 HB3 LEU A 77 8.142 -1.419 -3.009 1.00 0.00 H new ATOM 0 HG LEU A 77 6.395 -3.746 -2.638 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.154 -5.417 -3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.659 -4.577 -4.563 1.00 0.00 H new ATOM 0 HD13 LEU A 77 9.187 -4.142 -3.762 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.053 -4.264 -0.898 1.00 0.00 H new ATOM 0 HD22 LEU A 77 9.090 -2.948 -1.499 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.496 -2.577 -0.800 1.00 0.00 H new ATOM 1202 N GLU A 78 6.251 -0.659 -5.847 1.00 0.00 N ATOM 1203 CA GLU A 78 6.263 0.293 -6.950 1.00 0.00 C ATOM 1204 C GLU A 78 4.991 1.138 -6.942 1.00 0.00 C ATOM 1205 O GLU A 78 5.017 2.317 -7.296 1.00 0.00 O ATOM 1206 CB GLU A 78 6.396 -0.441 -8.286 1.00 0.00 C ATOM 1207 CG GLU A 78 7.698 -1.213 -8.426 1.00 0.00 C ATOM 1208 CD GLU A 78 7.823 -1.907 -9.769 1.00 0.00 C ATOM 1209 OE1 GLU A 78 8.313 -1.269 -10.724 1.00 0.00 O ATOM 1210 OE2 GLU A 78 7.432 -3.090 -9.864 1.00 0.00 O ATOM 0 H GLU A 78 6.377 -1.631 -6.129 1.00 0.00 H new ATOM 0 HA GLU A 78 7.121 0.953 -6.824 1.00 0.00 H new ATOM 0 HB2 GLU A 78 5.560 -1.131 -8.397 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.322 0.282 -9.098 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.537 -0.530 -8.295 1.00 0.00 H new ATOM 0 HG3 GLU A 78 7.764 -1.955 -7.630 1.00 0.00 H new ATOM 1217 N GLN A 79 3.879 0.527 -6.537 1.00 0.00 N ATOM 1218 CA GLN A 79 2.602 1.229 -6.471 1.00 0.00 C ATOM 1219 C GLN A 79 2.633 2.273 -5.360 1.00 0.00 C ATOM 1220 O GLN A 79 1.884 3.251 -5.388 1.00 0.00 O ATOM 1221 CB GLN A 79 1.451 0.242 -6.233 1.00 0.00 C ATOM 1222 CG GLN A 79 0.084 0.908 -6.180 1.00 0.00 C ATOM 1223 CD GLN A 79 -1.071 -0.078 -6.223 1.00 0.00 C ATOM 1224 OE1 GLN A 79 -2.106 0.198 -6.830 1.00 0.00 O ATOM 1225 NE2 GLN A 79 -0.922 -1.223 -5.562 1.00 0.00 N ATOM 0 H GLN A 79 3.838 -0.451 -6.250 1.00 0.00 H new ATOM 0 HA GLN A 79 2.436 1.729 -7.425 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.453 -0.505 -7.027 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.625 -0.288 -5.297 1.00 0.00 H new ATOM 0 HG2 GLN A 79 0.012 1.500 -5.268 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.007 1.600 -7.017 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.050 -1.418 -5.070 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -1.680 -1.906 -5.547 1.00 0.00 H new ATOM 1234 N ILE A 80 3.509 2.056 -4.385 1.00 0.00 N ATOM 1235 CA ILE A 80 3.648 2.969 -3.257 1.00 0.00 C ATOM 1236 C ILE A 80 4.531 4.166 -3.612 1.00 0.00 C ATOM 1237 O ILE A 80 4.079 5.310 -3.575 1.00 0.00 O ATOM 1238 CB ILE A 80 4.231 2.241 -2.024 1.00 0.00 C ATOM 1239 CG1 ILE A 80 3.167 1.333 -1.400 1.00 0.00 C ATOM 1240 CG2 ILE A 80 4.753 3.242 -1.000 1.00 0.00 C ATOM 1241 CD1 ILE A 80 3.694 0.443 -0.296 1.00 0.00 C ATOM 0 H ILE A 80 4.136 1.252 -4.354 1.00 0.00 H new ATOM 0 HA ILE A 80 2.650 3.334 -3.015 1.00 0.00 H new ATOM 0 HB ILE A 80 5.070 1.626 -2.348 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.363 1.952 -1.002 1.00 0.00 H new ATOM 0 HG13 ILE A 80 2.732 0.709 -2.181 1.00 0.00 H new ATOM 0 HG21 ILE A 80 5.158 2.706 -0.141 1.00 0.00 H new ATOM 0 HG22 ILE A 80 5.537 3.849 -1.452 1.00 0.00 H new ATOM 0 HG23 ILE A 80 3.937 3.887 -0.673 1.00 0.00 H new ATOM 0 HD11 ILE A 80 2.882 -0.170 0.096 1.00 0.00 H new ATOM 0 HD12 ILE A 80 4.478 -0.203 -0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 80 4.102 1.060 0.505 1.00 0.00 H new ATOM 1253 N GLY A 81 5.787 3.893 -3.961 1.00 0.00 N ATOM 1254 CA GLY A 81 6.709 4.960 -4.313 1.00 0.00 C ATOM 1255 C GLY A 81 6.855 5.995 -3.213 1.00 0.00 C ATOM 1256 O GLY A 81 6.084 6.952 -3.146 1.00 0.00 O ATOM 0 H GLY A 81 6.182 2.953 -4.006 1.00 0.00 H new ATOM 0 HA2 GLY A 81 7.686 4.531 -4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 81 6.361 5.449 -5.223 1.00 0.00 H new ATOM 1260 N GLY A 82 7.850 5.805 -2.350 1.00 0.00 N ATOM 1261 CA GLY A 82 8.072 6.741 -1.261 1.00 0.00 C ATOM 1262 C GLY A 82 9.143 6.269 -0.296 1.00 0.00 C ATOM 1263 O GLY A 82 9.620 5.139 -0.392 1.00 0.00 O ATOM 0 H GLY A 82 8.504 5.023 -2.385 1.00 0.00 H new ATOM 0 HA2 GLY A 82 8.359 7.709 -1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 82 7.139 6.889 -0.718 1.00 0.00 H new ATOM 1267 N GLU A 83 9.520 7.141 0.636 1.00 0.00 N ATOM 1268 CA GLU A 83 10.542 6.812 1.626 1.00 0.00 C ATOM 1269 C GLU A 83 10.083 5.668 2.524 1.00 0.00 C ATOM 1270 O GLU A 83 10.901 4.927 3.070 1.00 0.00 O ATOM 1271 CB GLU A 83 10.867 8.039 2.482 1.00 0.00 C ATOM 1272 CG GLU A 83 11.938 7.783 3.532 1.00 0.00 C ATOM 1273 CD GLU A 83 12.139 8.965 4.459 1.00 0.00 C ATOM 1274 OE1 GLU A 83 11.444 9.031 5.496 1.00 0.00 O ATOM 1275 OE2 GLU A 83 12.992 9.823 4.152 1.00 0.00 O ATOM 0 H GLU A 83 9.133 8.080 0.726 1.00 0.00 H new ATOM 0 HA GLU A 83 11.438 6.498 1.092 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.195 8.849 1.831 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.957 8.377 2.978 1.00 0.00 H new ATOM 0 HG2 GLU A 83 11.663 6.907 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 83 12.880 7.551 3.036 1.00 0.00 H new ATOM 1282 N ARG A 84 8.771 5.531 2.671 1.00 0.00 N ATOM 1283 CA ARG A 84 8.200 4.483 3.507 1.00 0.00 C ATOM 1284 C ARG A 84 8.577 3.104 2.980 1.00 0.00 C ATOM 1285 O ARG A 84 9.170 2.296 3.695 1.00 0.00 O ATOM 1286 CB ARG A 84 6.673 4.624 3.591 1.00 0.00 C ATOM 1287 CG ARG A 84 6.008 5.045 2.285 1.00 0.00 C ATOM 1288 CD ARG A 84 5.799 6.550 2.217 1.00 0.00 C ATOM 1289 NE ARG A 84 4.921 7.031 3.281 1.00 0.00 N ATOM 1290 CZ ARG A 84 4.813 8.310 3.625 1.00 0.00 C ATOM 1291 NH1 ARG A 84 5.515 9.236 2.984 1.00 0.00 N ATOM 1292 NH2 ARG A 84 3.998 8.668 4.609 1.00 0.00 N ATOM 0 H ARG A 84 8.082 6.134 2.221 1.00 0.00 H new ATOM 0 HA ARG A 84 8.612 4.592 4.510 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.249 3.672 3.910 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.429 5.356 4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.623 4.725 1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 84 5.047 4.540 2.187 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.763 7.053 2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.373 6.813 1.249 1.00 0.00 H new ATOM 0 HE ARG A 84 4.360 6.347 3.788 1.00 0.00 H new ATOM 0 HH11 ARG A 84 6.140 8.967 2.224 1.00 0.00 H new ATOM 0 HH12 ARG A 84 5.429 10.217 3.251 1.00 0.00 H new ATOM 0 HH21 ARG A 84 3.453 7.961 5.103 1.00 0.00 H new ATOM 0 HH22 ARG A 84 3.916 9.650 4.872 1.00 0.00 H new ATOM 1306 N VAL A 85 8.226 2.841 1.730 1.00 0.00 N ATOM 1307 CA VAL A 85 8.531 1.566 1.104 1.00 0.00 C ATOM 1308 C VAL A 85 10.023 1.443 0.837 1.00 0.00 C ATOM 1309 O VAL A 85 10.559 0.342 0.719 1.00 0.00 O ATOM 1310 CB VAL A 85 7.766 1.404 -0.217 1.00 0.00 C ATOM 1311 CG1 VAL A 85 8.335 2.318 -1.291 1.00 0.00 C ATOM 1312 CG2 VAL A 85 7.783 -0.046 -0.668 1.00 0.00 C ATOM 0 H VAL A 85 7.728 3.497 1.128 1.00 0.00 H new ATOM 0 HA VAL A 85 8.221 0.780 1.792 1.00 0.00 H new ATOM 0 HB VAL A 85 6.729 1.695 -0.050 1.00 0.00 H new ATOM 0 HG11 VAL A 85 7.775 2.184 -2.217 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.255 3.355 -0.966 1.00 0.00 H new ATOM 0 HG13 VAL A 85 9.383 2.071 -1.461 1.00 0.00 H new ATOM 0 HG21 VAL A 85 7.236 -0.142 -1.606 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.814 -0.369 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 85 7.312 -0.669 0.092 1.00 0.00 H new ATOM 1322 N ARG A 86 10.681 2.590 0.735 1.00 0.00 N ATOM 1323 CA ARG A 86 12.118 2.634 0.478 1.00 0.00 C ATOM 1324 C ARG A 86 12.862 1.742 1.467 1.00 0.00 C ATOM 1325 O ARG A 86 13.876 1.131 1.130 1.00 0.00 O ATOM 1326 CB ARG A 86 12.630 4.075 0.571 1.00 0.00 C ATOM 1327 CG ARG A 86 13.971 4.302 -0.114 1.00 0.00 C ATOM 1328 CD ARG A 86 15.138 3.937 0.789 1.00 0.00 C ATOM 1329 NE ARG A 86 16.426 4.226 0.163 1.00 0.00 N ATOM 1330 CZ ARG A 86 17.549 4.430 0.846 1.00 0.00 C ATOM 1331 NH1 ARG A 86 17.543 4.383 2.171 1.00 0.00 N ATOM 1332 NH2 ARG A 86 18.680 4.681 0.201 1.00 0.00 N ATOM 0 H ARG A 86 10.243 3.506 0.826 1.00 0.00 H new ATOM 0 HA ARG A 86 12.303 2.263 -0.530 1.00 0.00 H new ATOM 0 HB2 ARG A 86 11.890 4.742 0.128 1.00 0.00 H new ATOM 0 HB3 ARG A 86 12.719 4.351 1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 86 14.018 3.707 -1.026 1.00 0.00 H new ATOM 0 HG3 ARG A 86 14.055 5.348 -0.411 1.00 0.00 H new ATOM 0 HD2 ARG A 86 15.058 4.489 1.725 1.00 0.00 H new ATOM 0 HD3 ARG A 86 15.086 2.877 1.038 1.00 0.00 H new ATOM 0 HE ARG A 86 16.466 4.274 -0.855 1.00 0.00 H new ATOM 0 HH11 ARG A 86 16.675 4.190 2.671 1.00 0.00 H new ATOM 0 HH12 ARG A 86 18.406 4.540 2.691 1.00 0.00 H new ATOM 0 HH21 ARG A 86 18.688 4.718 -0.818 1.00 0.00 H new ATOM 0 HH22 ARG A 86 19.542 4.838 0.724 1.00 0.00 H new ATOM 1346 N ALA A 87 12.338 1.662 2.687 1.00 0.00 N ATOM 1347 CA ALA A 87 12.943 0.842 3.728 1.00 0.00 C ATOM 1348 C ALA A 87 12.620 -0.632 3.507 1.00 0.00 C ATOM 1349 O ALA A 87 13.421 -1.508 3.830 1.00 0.00 O ATOM 1350 CB ALA A 87 12.466 1.291 5.101 1.00 0.00 C ATOM 0 H ALA A 87 11.495 2.156 2.978 1.00 0.00 H new ATOM 0 HA ALA A 87 14.025 0.967 3.679 1.00 0.00 H new ATOM 0 HB1 ALA A 87 12.927 0.669 5.868 1.00 0.00 H new ATOM 0 HB2 ALA A 87 12.747 2.332 5.261 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.382 1.195 5.159 1.00 0.00 H new ATOM 1356 N ALA A 88 11.439 -0.895 2.954 1.00 0.00 N ATOM 1357 CA ALA A 88 11.007 -2.258 2.679 1.00 0.00 C ATOM 1358 C ALA A 88 11.994 -2.961 1.758 1.00 0.00 C ATOM 1359 O ALA A 88 12.246 -4.158 1.901 1.00 0.00 O ATOM 1360 CB ALA A 88 9.616 -2.257 2.064 1.00 0.00 C ATOM 0 H ALA A 88 10.764 -0.178 2.688 1.00 0.00 H new ATOM 0 HA ALA A 88 10.972 -2.804 3.622 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.306 -3.283 1.864 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.913 -1.794 2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 88 9.631 -1.694 1.131 1.00 0.00 H new ATOM 1366 N MET A 89 12.553 -2.212 0.810 1.00 0.00 N ATOM 1367 CA MET A 89 13.519 -2.773 -0.126 1.00 0.00 C ATOM 1368 C MET A 89 14.811 -3.094 0.596 1.00 0.00 C ATOM 1369 O MET A 89 15.314 -4.208 0.520 1.00 0.00 O ATOM 1370 CB MET A 89 13.813 -1.808 -1.276 1.00 0.00 C ATOM 1371 CG MET A 89 12.732 -0.776 -1.519 1.00 0.00 C ATOM 1372 SD MET A 89 11.072 -1.482 -1.588 1.00 0.00 S ATOM 1373 CE MET A 89 11.296 -2.790 -2.790 1.00 0.00 C ATOM 0 H MET A 89 12.354 -1.221 0.672 1.00 0.00 H new ATOM 0 HA MET A 89 13.086 -3.683 -0.542 1.00 0.00 H new ATOM 0 HB2 MET A 89 14.751 -1.292 -1.070 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.960 -2.385 -2.189 1.00 0.00 H new ATOM 0 HG2 MET A 89 12.769 -0.028 -0.727 1.00 0.00 H new ATOM 0 HG3 MET A 89 12.938 -0.258 -2.456 1.00 0.00 H new ATOM 0 HE1 MET A 89 10.357 -2.967 -3.315 1.00 0.00 H new ATOM 0 HE2 MET A 89 12.063 -2.498 -3.507 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.604 -3.703 -2.281 1.00 0.00 H new ATOM 1383 N GLU A 90 15.349 -2.096 1.289 1.00 0.00 N ATOM 1384 CA GLU A 90 16.582 -2.266 2.046 1.00 0.00 C ATOM 1385 C GLU A 90 16.454 -3.441 3.008 1.00 0.00 C ATOM 1386 O GLU A 90 17.441 -4.097 3.341 1.00 0.00 O ATOM 1387 CB GLU A 90 16.907 -0.989 2.823 1.00 0.00 C ATOM 1388 CG GLU A 90 17.073 0.238 1.941 1.00 0.00 C ATOM 1389 CD GLU A 90 17.372 1.490 2.741 1.00 0.00 C ATOM 1390 OE1 GLU A 90 16.415 2.127 3.229 1.00 0.00 O ATOM 1391 OE2 GLU A 90 18.565 1.833 2.881 1.00 0.00 O ATOM 0 H GLU A 90 14.949 -1.159 1.341 1.00 0.00 H new ATOM 0 HA GLU A 90 17.393 -2.470 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 90 16.112 -0.802 3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 90 17.824 -1.144 3.391 1.00 0.00 H new ATOM 0 HG2 GLU A 90 17.880 0.064 1.229 1.00 0.00 H new ATOM 0 HG3 GLU A 90 16.163 0.390 1.360 1.00 0.00 H new ATOM 1398 N LYS A 91 15.227 -3.698 3.451 1.00 0.00 N ATOM 1399 CA LYS A 91 14.960 -4.796 4.374 1.00 0.00 C ATOM 1400 C LYS A 91 14.962 -6.141 3.659 1.00 0.00 C ATOM 1401 O LYS A 91 15.338 -7.157 4.242 1.00 0.00 O ATOM 1402 CB LYS A 91 13.617 -4.590 5.079 1.00 0.00 C ATOM 1403 CG LYS A 91 13.657 -3.550 6.189 1.00 0.00 C ATOM 1404 CD LYS A 91 14.504 -4.018 7.362 1.00 0.00 C ATOM 1405 CE LYS A 91 14.420 -3.049 8.529 1.00 0.00 C ATOM 1406 NZ LYS A 91 13.027 -2.914 9.041 1.00 0.00 N ATOM 0 H LYS A 91 14.402 -3.161 3.186 1.00 0.00 H new ATOM 0 HA LYS A 91 15.760 -4.801 5.114 1.00 0.00 H new ATOM 0 HB2 LYS A 91 12.872 -4.291 4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 91 13.288 -5.541 5.497 1.00 0.00 H new ATOM 0 HG2 LYS A 91 14.059 -2.615 5.799 1.00 0.00 H new ATOM 0 HG3 LYS A 91 12.643 -3.342 6.531 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.171 -5.005 7.682 1.00 0.00 H new ATOM 0 HD3 LYS A 91 15.542 -4.119 7.045 1.00 0.00 H new ATOM 0 HE2 LYS A 91 15.071 -3.392 9.333 1.00 0.00 H new ATOM 0 HE3 LYS A 91 14.788 -2.072 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 13.047 -2.520 10.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 12.488 -2.279 8.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 12.572 -3.849 9.060 1.00 0.00 H new ATOM 1420 N LEU A 92 14.543 -6.151 2.396 1.00 0.00 N ATOM 1421 CA LEU A 92 14.504 -7.381 1.629 1.00 0.00 C ATOM 1422 C LEU A 92 15.857 -7.639 0.965 1.00 0.00 C ATOM 1423 O LEU A 92 16.246 -8.783 0.749 1.00 0.00 O ATOM 1424 CB LEU A 92 13.369 -7.305 0.603 1.00 0.00 C ATOM 1425 CG LEU A 92 13.628 -8.005 -0.726 1.00 0.00 C ATOM 1426 CD1 LEU A 92 13.683 -9.517 -0.544 1.00 0.00 C ATOM 1427 CD2 LEU A 92 12.555 -7.629 -1.735 1.00 0.00 C ATOM 0 H LEU A 92 14.229 -5.323 1.889 1.00 0.00 H new ATOM 0 HA LEU A 92 14.307 -8.223 2.293 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.472 -7.734 1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.155 -6.255 0.403 1.00 0.00 H new ATOM 0 HG LEU A 92 14.596 -7.676 -1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 92 13.869 -9.993 -1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.486 -9.771 0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.733 -9.870 -0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.751 -8.135 -2.680 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.578 -7.931 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 92 12.565 -6.550 -1.892 1.00 0.00 H new ATOM 1439 N ALA A 93 16.574 -6.563 0.656 1.00 0.00 N ATOM 1440 CA ALA A 93 17.888 -6.665 0.032 1.00 0.00 C ATOM 1441 C ALA A 93 18.833 -7.502 0.888 1.00 0.00 C ATOM 1442 O ALA A 93 19.713 -8.189 0.369 1.00 0.00 O ATOM 1443 CB ALA A 93 18.471 -5.279 -0.198 1.00 0.00 C ATOM 0 H ALA A 93 16.265 -5.606 0.829 1.00 0.00 H new ATOM 0 HA ALA A 93 17.771 -7.162 -0.931 1.00 0.00 H new ATOM 0 HB1 ALA A 93 19.452 -5.370 -0.664 1.00 0.00 H new ATOM 0 HB2 ALA A 93 17.810 -4.710 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 93 18.570 -4.763 0.757 1.00 0.00 H new ATOM 1449 N GLU A 94 18.641 -7.441 2.203 1.00 0.00 N ATOM 1450 CA GLU A 94 19.471 -8.196 3.134 1.00 0.00 C ATOM 1451 C GLU A 94 19.004 -9.645 3.204 1.00 0.00 C ATOM 1452 O GLU A 94 19.773 -10.543 3.540 1.00 0.00 O ATOM 1453 CB GLU A 94 19.426 -7.558 4.524 1.00 0.00 C ATOM 1454 CG GLU A 94 19.965 -6.136 4.557 1.00 0.00 C ATOM 1455 CD GLU A 94 21.400 -6.046 4.079 1.00 0.00 C ATOM 1456 OE1 GLU A 94 22.315 -6.258 4.903 1.00 0.00 O ATOM 1457 OE2 GLU A 94 21.611 -5.766 2.879 1.00 0.00 O ATOM 0 H GLU A 94 17.917 -6.876 2.647 1.00 0.00 H new ATOM 0 HA GLU A 94 20.500 -8.178 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 94 18.396 -7.556 4.881 1.00 0.00 H new ATOM 0 HB3 GLU A 94 20.002 -8.173 5.216 1.00 0.00 H new ATOM 0 HG2 GLU A 94 19.338 -5.499 3.934 1.00 0.00 H new ATOM 0 HG3 GLU A 94 19.900 -5.750 5.574 1.00 0.00 H new ATOM 1464 N THR A 95 17.732 -9.858 2.882 1.00 0.00 N ATOM 1465 CA THR A 95 17.149 -11.195 2.880 1.00 0.00 C ATOM 1466 C THR A 95 16.677 -11.543 1.475 1.00 0.00 C ATOM 1467 O THR A 95 15.689 -12.255 1.290 1.00 0.00 O ATOM 1468 CB THR A 95 15.961 -11.300 3.858 1.00 0.00 C ATOM 1469 OG1 THR A 95 14.994 -10.284 3.569 1.00 0.00 O ATOM 1470 CG2 THR A 95 16.431 -11.164 5.300 1.00 0.00 C ATOM 0 H THR A 95 17.082 -9.117 2.618 1.00 0.00 H new ATOM 0 HA THR A 95 17.918 -11.896 3.205 1.00 0.00 H new ATOM 0 HB THR A 95 15.504 -12.282 3.732 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.332 -9.415 3.872 1.00 0.00 H new ATOM 0 HG21 THR A 95 15.575 -11.241 5.970 1.00 0.00 H new ATOM 0 HG22 THR A 95 17.143 -11.958 5.527 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.912 -10.195 5.436 1.00 0.00 H new ATOM 1478 N GLY A 96 17.411 -11.028 0.493 1.00 0.00 N ATOM 1479 CA GLY A 96 17.079 -11.239 -0.902 1.00 0.00 C ATOM 1480 C GLY A 96 16.791 -12.682 -1.257 1.00 0.00 C ATOM 1481 O GLY A 96 17.609 -13.570 -1.015 1.00 0.00 O ATOM 0 H GLY A 96 18.244 -10.459 0.645 1.00 0.00 H new ATOM 0 HA2 GLY A 96 16.208 -10.634 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 96 17.904 -10.882 -1.519 1.00 0.00 H new ATOM 1485 N THR A 97 15.616 -12.905 -1.835 1.00 0.00 N ATOM 1486 CA THR A 97 15.201 -14.236 -2.257 1.00 0.00 C ATOM 1487 C THR A 97 14.409 -14.152 -3.559 1.00 0.00 C ATOM 1488 O THR A 97 13.477 -13.358 -3.678 1.00 0.00 O ATOM 1489 CB THR A 97 14.340 -14.927 -1.182 1.00 0.00 C ATOM 1490 OG1 THR A 97 14.989 -14.841 0.092 1.00 0.00 O ATOM 1491 CG2 THR A 97 14.103 -16.388 -1.535 1.00 0.00 C ATOM 0 H THR A 97 14.930 -12.174 -2.023 1.00 0.00 H new ATOM 0 HA THR A 97 16.103 -14.828 -2.410 1.00 0.00 H new ATOM 0 HB THR A 97 13.377 -14.419 -1.137 1.00 0.00 H new ATOM 0 HG1 THR A 97 15.039 -13.903 0.371 1.00 0.00 H new ATOM 0 HG21 THR A 97 13.493 -16.855 -0.762 1.00 0.00 H new ATOM 0 HG22 THR A 97 13.586 -16.452 -2.493 1.00 0.00 H new ATOM 0 HG23 THR A 97 15.060 -16.905 -1.604 1.00 0.00 H new ATOM 1499 N GLY A 98 14.785 -14.975 -4.534 1.00 0.00 N ATOM 1500 CA GLY A 98 14.103 -14.965 -5.816 1.00 0.00 C ATOM 1501 C GLY A 98 14.302 -13.661 -6.565 1.00 0.00 C ATOM 1502 O GLY A 98 15.384 -13.075 -6.524 1.00 0.00 O ATOM 0 H GLY A 98 15.548 -15.647 -4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 98 14.469 -15.791 -6.426 1.00 0.00 H new ATOM 0 HA3 GLY A 98 13.037 -15.132 -5.659 1.00 0.00 H new ATOM 1506 N PHE A 99 13.257 -13.203 -7.250 1.00 0.00 N ATOM 1507 CA PHE A 99 13.326 -11.960 -8.013 1.00 0.00 C ATOM 1508 C PHE A 99 13.122 -10.751 -7.105 1.00 0.00 C ATOM 1509 O PHE A 99 13.529 -9.638 -7.439 1.00 0.00 O ATOM 1510 CB PHE A 99 12.276 -11.962 -9.130 1.00 0.00 C ATOM 1511 CG PHE A 99 10.907 -11.517 -8.690 1.00 0.00 C ATOM 1512 CD1 PHE A 99 10.216 -12.207 -7.704 1.00 0.00 C ATOM 1513 CD2 PHE A 99 10.313 -10.408 -9.267 1.00 0.00 C ATOM 1514 CE1 PHE A 99 8.958 -11.794 -7.305 1.00 0.00 C ATOM 1515 CE2 PHE A 99 9.056 -9.992 -8.872 1.00 0.00 C ATOM 1516 CZ PHE A 99 8.379 -10.686 -7.889 1.00 0.00 C ATOM 0 H PHE A 99 12.353 -13.674 -7.292 1.00 0.00 H new ATOM 0 HA PHE A 99 14.318 -11.891 -8.459 1.00 0.00 H new ATOM 0 HB2 PHE A 99 12.616 -11.310 -9.935 1.00 0.00 H new ATOM 0 HB3 PHE A 99 12.203 -12.968 -9.543 1.00 0.00 H new ATOM 0 HD1 PHE A 99 10.665 -13.075 -7.244 1.00 0.00 H new ATOM 0 HD2 PHE A 99 10.839 -9.861 -10.036 1.00 0.00 H new ATOM 0 HE1 PHE A 99 8.429 -12.338 -6.537 1.00 0.00 H new ATOM 0 HE2 PHE A 99 8.604 -9.125 -9.331 1.00 0.00 H new ATOM 0 HZ PHE A 99 7.397 -10.362 -7.577 1.00 0.00 H new ATOM 1526 N ALA A 100 12.485 -10.980 -5.958 1.00 0.00 N ATOM 1527 CA ALA A 100 12.226 -9.911 -4.998 1.00 0.00 C ATOM 1528 C ALA A 100 13.495 -9.121 -4.709 1.00 0.00 C ATOM 1529 O ALA A 100 13.468 -7.895 -4.606 1.00 0.00 O ATOM 1530 CB ALA A 100 11.654 -10.485 -3.713 1.00 0.00 C ATOM 0 H ALA A 100 12.139 -11.896 -5.672 1.00 0.00 H new ATOM 0 HA ALA A 100 11.495 -9.230 -5.434 1.00 0.00 H new ATOM 0 HB1 ALA A 100 11.466 -9.677 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 100 10.720 -11.003 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 100 12.366 -11.188 -3.280 1.00 0.00 H new ATOM 1536 N ARG A 101 14.606 -9.833 -4.577 1.00 0.00 N ATOM 1537 CA ARG A 101 15.893 -9.203 -4.309 1.00 0.00 C ATOM 1538 C ARG A 101 16.218 -8.164 -5.376 1.00 0.00 C ATOM 1539 O ARG A 101 16.376 -6.980 -5.079 1.00 0.00 O ATOM 1540 CB ARG A 101 16.987 -10.263 -4.269 1.00 0.00 C ATOM 1541 CG ARG A 101 18.393 -9.690 -4.190 1.00 0.00 C ATOM 1542 CD ARG A 101 19.412 -10.760 -3.839 1.00 0.00 C ATOM 1543 NE ARG A 101 20.783 -10.285 -4.012 1.00 0.00 N ATOM 1544 CZ ARG A 101 21.854 -10.961 -3.610 1.00 0.00 C ATOM 1545 NH1 ARG A 101 21.716 -12.129 -2.997 1.00 0.00 N ATOM 1546 NH2 ARG A 101 23.067 -10.468 -3.819 1.00 0.00 N ATOM 0 H ARG A 101 14.642 -10.850 -4.651 1.00 0.00 H new ATOM 0 HA ARG A 101 15.839 -8.701 -3.343 1.00 0.00 H new ATOM 0 HB2 ARG A 101 16.820 -10.912 -3.409 1.00 0.00 H new ATOM 0 HB3 ARG A 101 16.908 -10.887 -5.159 1.00 0.00 H new ATOM 0 HG2 ARG A 101 18.656 -9.235 -5.145 1.00 0.00 H new ATOM 0 HG3 ARG A 101 18.423 -8.898 -3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 101 19.265 -11.076 -2.806 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.249 -11.636 -4.467 1.00 0.00 H new ATOM 0 HE ARG A 101 20.926 -9.383 -4.467 1.00 0.00 H new ATOM 0 HH11 ARG A 101 20.785 -12.512 -2.832 1.00 0.00 H new ATOM 0 HH12 ARG A 101 22.541 -12.645 -2.690 1.00 0.00 H new ATOM 0 HH21 ARG A 101 23.178 -9.569 -4.289 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.889 -10.987 -3.510 1.00 0.00 H new ATOM 1560 N LYS A 102 16.317 -8.623 -6.621 1.00 0.00 N ATOM 1561 CA LYS A 102 16.615 -7.744 -7.745 1.00 0.00 C ATOM 1562 C LYS A 102 15.617 -6.591 -7.803 1.00 0.00 C ATOM 1563 O LYS A 102 15.917 -5.514 -8.321 1.00 0.00 O ATOM 1564 CB LYS A 102 16.577 -8.545 -9.051 1.00 0.00 C ATOM 1565 CG LYS A 102 16.611 -7.682 -10.303 1.00 0.00 C ATOM 1566 CD LYS A 102 16.364 -8.505 -11.559 1.00 0.00 C ATOM 1567 CE LYS A 102 17.543 -9.412 -11.876 1.00 0.00 C ATOM 1568 NZ LYS A 102 17.302 -10.229 -13.099 1.00 0.00 N ATOM 0 H LYS A 102 16.194 -9.603 -6.876 1.00 0.00 H new ATOM 0 HA LYS A 102 17.613 -7.326 -7.610 1.00 0.00 H new ATOM 0 HB2 LYS A 102 17.424 -9.230 -9.071 1.00 0.00 H new ATOM 0 HB3 LYS A 102 15.674 -9.155 -9.066 1.00 0.00 H new ATOM 0 HG2 LYS A 102 15.856 -6.899 -10.226 1.00 0.00 H new ATOM 0 HG3 LYS A 102 17.579 -7.186 -10.377 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.465 -9.108 -11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 102 16.181 -7.838 -12.401 1.00 0.00 H new ATOM 0 HE2 LYS A 102 18.439 -8.807 -12.014 1.00 0.00 H new ATOM 0 HE3 LYS A 102 17.731 -10.072 -11.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 18.128 -10.834 -13.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 16.461 -10.825 -12.958 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 17.148 -9.599 -13.912 1.00 0.00 H new ATOM 1582 N VAL A 103 14.430 -6.830 -7.261 1.00 0.00 N ATOM 1583 CA VAL A 103 13.372 -5.830 -7.244 1.00 0.00 C ATOM 1584 C VAL A 103 13.670 -4.707 -6.250 1.00 0.00 C ATOM 1585 O VAL A 103 13.609 -3.532 -6.599 1.00 0.00 O ATOM 1586 CB VAL A 103 12.016 -6.478 -6.896 1.00 0.00 C ATOM 1587 CG1 VAL A 103 10.991 -5.427 -6.486 1.00 0.00 C ATOM 1588 CG2 VAL A 103 11.502 -7.292 -8.073 1.00 0.00 C ATOM 0 H VAL A 103 14.175 -7.716 -6.824 1.00 0.00 H new ATOM 0 HA VAL A 103 13.323 -5.399 -8.244 1.00 0.00 H new ATOM 0 HB VAL A 103 12.169 -7.145 -6.047 1.00 0.00 H new ATOM 0 HG11 VAL A 103 10.046 -5.914 -6.247 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.353 -4.888 -5.611 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.840 -4.726 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 103 10.545 -7.743 -7.813 1.00 0.00 H new ATOM 0 HG22 VAL A 103 11.373 -6.641 -8.937 1.00 0.00 H new ATOM 0 HG23 VAL A 103 12.219 -8.077 -8.314 1.00 0.00 H new ATOM 1598 N ALA A 104 13.997 -5.079 -5.016 1.00 0.00 N ATOM 1599 CA ALA A 104 14.282 -4.108 -3.963 1.00 0.00 C ATOM 1600 C ALA A 104 15.346 -3.094 -4.374 1.00 0.00 C ATOM 1601 O ALA A 104 15.121 -1.884 -4.329 1.00 0.00 O ATOM 1602 CB ALA A 104 14.717 -4.835 -2.701 1.00 0.00 C ATOM 0 H ALA A 104 14.072 -6.052 -4.719 1.00 0.00 H new ATOM 0 HA ALA A 104 13.364 -3.550 -3.777 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.929 -4.108 -1.917 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.920 -5.501 -2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.615 -5.418 -2.908 1.00 0.00 H new ATOM 1608 N VAL A 105 16.498 -3.602 -4.775 1.00 0.00 N ATOM 1609 CA VAL A 105 17.627 -2.764 -5.167 1.00 0.00 C ATOM 1610 C VAL A 105 17.307 -1.862 -6.357 1.00 0.00 C ATOM 1611 O VAL A 105 17.351 -0.637 -6.246 1.00 0.00 O ATOM 1612 CB VAL A 105 18.858 -3.624 -5.512 1.00 0.00 C ATOM 1613 CG1 VAL A 105 20.049 -2.742 -5.857 1.00 0.00 C ATOM 1614 CG2 VAL A 105 19.195 -4.558 -4.360 1.00 0.00 C ATOM 0 H VAL A 105 16.681 -4.603 -4.839 1.00 0.00 H new ATOM 0 HA VAL A 105 17.842 -2.130 -4.307 1.00 0.00 H new ATOM 0 HB VAL A 105 18.620 -4.230 -6.386 1.00 0.00 H new ATOM 0 HG11 VAL A 105 20.908 -3.368 -6.098 1.00 0.00 H new ATOM 0 HG12 VAL A 105 19.803 -2.118 -6.716 1.00 0.00 H new ATOM 0 HG13 VAL A 105 20.290 -2.107 -5.005 1.00 0.00 H new ATOM 0 HG21 VAL A 105 20.067 -5.158 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 105 19.412 -3.971 -3.467 1.00 0.00 H new ATOM 0 HG23 VAL A 105 18.348 -5.215 -4.165 1.00 0.00 H new ATOM 1624 N ASN A 106 16.990 -2.473 -7.494 1.00 0.00 N ATOM 1625 CA ASN A 106 16.694 -1.726 -8.716 1.00 0.00 C ATOM 1626 C ASN A 106 15.560 -0.718 -8.527 1.00 0.00 C ATOM 1627 O ASN A 106 15.594 0.371 -9.105 1.00 0.00 O ATOM 1628 CB ASN A 106 16.349 -2.688 -9.854 1.00 0.00 C ATOM 1629 CG ASN A 106 17.536 -3.533 -10.280 1.00 0.00 C ATOM 1630 OD1 ASN A 106 17.374 -4.664 -10.739 1.00 0.00 O ATOM 1631 ND2 ASN A 106 18.738 -2.987 -10.131 1.00 0.00 N ATOM 0 H ASN A 106 16.931 -3.486 -7.597 1.00 0.00 H new ATOM 0 HA ASN A 106 17.592 -1.162 -8.969 1.00 0.00 H new ATOM 0 HB2 ASN A 106 15.536 -3.342 -9.539 1.00 0.00 H new ATOM 0 HB3 ASN A 106 15.987 -2.118 -10.710 1.00 0.00 H new ATOM 0 HD21 ASN A 106 19.572 -3.508 -10.401 1.00 0.00 H new ATOM 0 HD22 ASN A 106 18.827 -2.046 -9.746 1.00 0.00 H new ATOM 1638 N TYR A 107 14.559 -1.073 -7.727 1.00 0.00 N ATOM 1639 CA TYR A 107 13.423 -0.202 -7.497 1.00 0.00 C ATOM 1640 C TYR A 107 13.854 1.107 -6.842 1.00 0.00 C ATOM 1641 O TYR A 107 13.243 2.153 -7.056 1.00 0.00 O ATOM 1642 CB TYR A 107 12.397 -0.927 -6.634 1.00 0.00 C ATOM 1643 CG TYR A 107 11.381 -0.016 -6.004 1.00 0.00 C ATOM 1644 CD1 TYR A 107 10.495 0.722 -6.775 1.00 0.00 C ATOM 1645 CD2 TYR A 107 11.324 0.109 -4.632 1.00 0.00 C ATOM 1646 CE1 TYR A 107 9.574 1.564 -6.184 1.00 0.00 C ATOM 1647 CE2 TYR A 107 10.409 0.947 -4.029 1.00 0.00 C ATOM 1648 CZ TYR A 107 9.535 1.673 -4.810 1.00 0.00 C ATOM 1649 OH TYR A 107 8.620 2.512 -4.219 1.00 0.00 O ATOM 0 H TYR A 107 14.516 -1.962 -7.228 1.00 0.00 H new ATOM 0 HA TYR A 107 12.972 0.049 -8.457 1.00 0.00 H new ATOM 0 HB2 TYR A 107 11.879 -1.666 -7.246 1.00 0.00 H new ATOM 0 HB3 TYR A 107 12.918 -1.473 -5.848 1.00 0.00 H new ATOM 0 HD1 TYR A 107 10.526 0.637 -7.851 1.00 0.00 H new ATOM 0 HD2 TYR A 107 12.008 -0.459 -4.019 1.00 0.00 H new ATOM 0 HE1 TYR A 107 8.889 2.134 -6.794 1.00 0.00 H new ATOM 0 HE2 TYR A 107 10.378 1.034 -2.953 1.00 0.00 H new ATOM 0 HH TYR A 107 9.092 3.201 -3.706 1.00 0.00 H new ATOM 1659 N LEU A 108 14.913 1.034 -6.046 1.00 0.00 N ATOM 1660 CA LEU A 108 15.435 2.199 -5.341 1.00 0.00 C ATOM 1661 C LEU A 108 15.779 3.340 -6.298 1.00 0.00 C ATOM 1662 O LEU A 108 15.950 4.483 -5.873 1.00 0.00 O ATOM 1663 CB LEU A 108 16.674 1.807 -4.536 1.00 0.00 C ATOM 1664 CG LEU A 108 16.401 0.950 -3.298 1.00 0.00 C ATOM 1665 CD1 LEU A 108 17.703 0.418 -2.718 1.00 0.00 C ATOM 1666 CD2 LEU A 108 15.642 1.754 -2.253 1.00 0.00 C ATOM 0 H LEU A 108 15.431 0.173 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 108 14.654 2.555 -4.669 1.00 0.00 H new ATOM 0 HB2 LEU A 108 17.357 1.265 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU A 108 17.187 2.716 -4.223 1.00 0.00 H new ATOM 0 HG LEU A 108 15.786 0.101 -3.596 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.488 -0.189 -1.838 1.00 0.00 H new ATOM 0 HD12 LEU A 108 18.211 -0.192 -3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 108 18.343 1.253 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 108 15.456 1.130 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 108 16.234 2.621 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 108 14.692 2.087 -2.670 1.00 0.00 H new ATOM 1678 N GLU A 109 15.879 3.027 -7.587 1.00 0.00 N ATOM 1679 CA GLU A 109 16.210 4.032 -8.593 1.00 0.00 C ATOM 1680 C GLU A 109 15.019 4.939 -8.888 1.00 0.00 C ATOM 1681 O GLU A 109 15.106 5.837 -9.727 1.00 0.00 O ATOM 1682 CB GLU A 109 16.687 3.358 -9.881 1.00 0.00 C ATOM 1683 CG GLU A 109 18.151 2.948 -9.848 1.00 0.00 C ATOM 1684 CD GLU A 109 18.470 1.997 -8.711 1.00 0.00 C ATOM 1685 OE1 GLU A 109 18.682 2.476 -7.577 1.00 0.00 O ATOM 1686 OE2 GLU A 109 18.511 0.773 -8.955 1.00 0.00 O ATOM 0 H GLU A 109 15.736 2.088 -7.959 1.00 0.00 H new ATOM 0 HA GLU A 109 17.014 4.650 -8.193 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.075 2.475 -10.067 1.00 0.00 H new ATOM 0 HB3 GLU A 109 16.528 4.038 -10.718 1.00 0.00 H new ATOM 0 HG2 GLU A 109 18.413 2.476 -10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 109 18.771 3.840 -9.755 1.00 0.00 H new ATOM 1693 N THR A 110 13.909 4.706 -8.195 1.00 0.00 N ATOM 1694 CA THR A 110 12.708 5.512 -8.386 1.00 0.00 C ATOM 1695 C THR A 110 12.417 6.362 -7.152 1.00 0.00 C ATOM 1696 O THR A 110 12.409 7.590 -7.222 1.00 0.00 O ATOM 1697 CB THR A 110 11.479 4.637 -8.698 1.00 0.00 C ATOM 1698 OG1 THR A 110 11.202 3.765 -7.596 1.00 0.00 O ATOM 1699 CG2 THR A 110 11.706 3.813 -9.955 1.00 0.00 C ATOM 0 H THR A 110 13.816 3.967 -7.498 1.00 0.00 H new ATOM 0 HA THR A 110 12.899 6.164 -9.238 1.00 0.00 H new ATOM 0 HB THR A 110 10.627 5.296 -8.862 1.00 0.00 H new ATOM 0 HG1 THR A 110 11.930 3.115 -7.502 1.00 0.00 H new ATOM 0 HG21 THR A 110 10.825 3.204 -10.155 1.00 0.00 H new ATOM 0 HG22 THR A 110 11.886 4.479 -10.799 1.00 0.00 H new ATOM 0 HG23 THR A 110 12.571 3.165 -9.814 1.00 0.00 H new ATOM 1707 N HIS A 111 12.180 5.697 -6.025 1.00 0.00 N ATOM 1708 CA HIS A 111 11.890 6.389 -4.772 1.00 0.00 C ATOM 1709 C HIS A 111 12.700 5.795 -3.625 1.00 0.00 C ATOM 1710 O HIS A 111 13.774 6.350 -3.310 1.00 0.00 O ATOM 1711 CB HIS A 111 10.395 6.310 -4.453 1.00 0.00 C ATOM 1712 CG HIS A 111 9.543 7.165 -5.341 1.00 0.00 C ATOM 1713 ND1 HIS A 111 8.916 8.313 -4.902 1.00 0.00 N ATOM 1714 CD2 HIS A 111 9.211 7.034 -6.647 1.00 0.00 C ATOM 1715 CE1 HIS A 111 8.235 8.849 -5.900 1.00 0.00 C ATOM 1716 NE2 HIS A 111 8.399 8.092 -6.970 1.00 0.00 N ATOM 1717 OXT HIS A 111 12.256 4.778 -3.050 1.00 0.00 O ATOM 0 H HIS A 111 12.183 4.680 -5.953 1.00 0.00 H new ATOM 0 HA HIS A 111 12.172 7.435 -4.890 1.00 0.00 H new ATOM 0 HB2 HIS A 111 10.068 5.274 -4.539 1.00 0.00 H new ATOM 0 HB3 HIS A 111 10.238 6.608 -3.417 1.00 0.00 H new ATOM 0 HD2 HIS A 111 9.527 6.243 -7.311 1.00 0.00 H new ATOM 0 HE1 HIS A 111 7.645 9.752 -5.849 1.00 0.00 H new ATOM 0 HE2 HIS A 111 7.989 8.266 -7.888 1.00 0.00 H new TER 1726 HIS A 111