USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 543 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 52 THR OG1 : rot -27:sc= 0.463 USER MOD Set 1.2: A 63 SER OG : rot 12:sc= -1.59! USER MOD Set 2.1: A 42 ASN : amide:sc= -0.726 K(o=0.23,f=-1.7) USER MOD Set 2.2: A 44 LYS NZ :NH3+ 172:sc= 0.954 (180deg=1) USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.0571 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= -5.01 K(o=-5,f=-18!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.09 USER MOD Single : A 13 GLN : amide:sc= -1.02 K(o=-1,f=-2.1!) USER MOD Single : A 14 ASN :FLIP amide:sc= 0.106 F(o=-0.75,f=0.11) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.97) USER MOD Single : A 22 SER OG : rot 55:sc= 1.03 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 TYR OH : rot 30:sc= -1.04 USER MOD Single : A 31 LYS NZ :NH3+ -146:sc= 0.833 (180deg=0.0623) USER MOD Single : A 33 TYR OH : rot 0:sc= 0.299 USER MOD Single : A 34 ASN : amide:sc= 0.0367 K(o=0.037,f=-1.2) USER MOD Single : A 35 GLN : amide:sc= -2.38! X(o=-2.4!,f=-2) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 30:sc= -0.183 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 26:sc= 1.06 USER MOD Single : A 54 SER OG : rot 180:sc= -0.56 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -147:sc= 1.31 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 33.060 1.103 -4.030 1.00 41.31 N ATOM 2 CA GLY A 1 33.237 2.382 -4.691 1.00 30.30 C ATOM 3 C GLY A 1 32.396 3.479 -4.068 1.00 12.34 C ATOM 4 O GLY A 1 31.850 3.326 -2.975 1.00 23.03 O ATOM 0 H1 GLY A 1 33.983 0.746 -3.711 1.00 41.31 H new ATOM 0 H2 GLY A 1 32.432 1.220 -3.209 1.00 41.31 H new ATOM 0 H3 GLY A 1 32.637 0.424 -4.695 1.00 41.31 H new ATOM 0 HA2 GLY A 1 34.288 2.667 -4.649 1.00 30.30 H new ATOM 0 HA3 GLY A 1 32.976 2.282 -5.744 1.00 30.30 H new ATOM 8 N PRO A 2 32.284 4.615 -4.771 1.00 23.23 N ATOM 9 CA PRO A 2 31.506 5.764 -4.297 1.00 51.32 C ATOM 10 C PRO A 2 30.005 5.494 -4.310 1.00 33.12 C ATOM 11 O PRO A 2 29.541 4.547 -4.947 1.00 42.34 O ATOM 12 CB PRO A 2 31.858 6.868 -5.299 1.00 31.34 C ATOM 13 CG PRO A 2 32.255 6.143 -6.538 1.00 13.44 C ATOM 14 CD PRO A 2 32.907 4.867 -6.080 1.00 54.41 C ATOM 0 HA PRO A 2 31.741 6.016 -3.263 1.00 51.32 H new ATOM 0 HB2 PRO A 2 31.007 7.524 -5.480 1.00 31.34 H new ATOM 0 HB3 PRO A 2 32.670 7.494 -4.929 1.00 31.34 H new ATOM 0 HG2 PRO A 2 31.387 5.935 -7.164 1.00 13.44 H new ATOM 0 HG3 PRO A 2 32.943 6.740 -7.136 1.00 13.44 H new ATOM 0 HD2 PRO A 2 32.723 4.049 -6.777 1.00 54.41 H new ATOM 0 HD3 PRO A 2 33.988 4.976 -5.996 1.00 54.41 H new ATOM 22 N SER A 3 29.251 6.329 -3.603 1.00 31.54 N ATOM 23 CA SER A 3 27.802 6.177 -3.530 1.00 71.32 C ATOM 24 C SER A 3 27.145 7.465 -3.047 1.00 50.22 C ATOM 25 O SER A 3 27.341 7.887 -1.907 1.00 63.12 O ATOM 26 CB SER A 3 27.436 5.022 -2.596 1.00 10.22 C ATOM 27 OG SER A 3 26.783 3.982 -3.303 1.00 22.33 O ATOM 0 H SER A 3 29.619 7.118 -3.072 1.00 31.54 H new ATOM 0 HA SER A 3 27.433 5.955 -4.531 1.00 71.32 H new ATOM 0 HB2 SER A 3 28.338 4.634 -2.122 1.00 10.22 H new ATOM 0 HB3 SER A 3 26.788 5.386 -1.798 1.00 10.22 H new ATOM 0 HG SER A 3 26.561 3.255 -2.684 1.00 22.33 H new ATOM 33 N THR A 4 26.362 8.088 -3.923 1.00 33.23 N ATOM 34 CA THR A 4 25.675 9.329 -3.588 1.00 40.13 C ATOM 35 C THR A 4 24.178 9.100 -3.415 1.00 15.32 C ATOM 36 O THR A 4 23.585 8.268 -4.102 1.00 4.40 O ATOM 37 CB THR A 4 25.896 10.403 -4.670 1.00 24.42 C ATOM 38 OG1 THR A 4 25.368 9.954 -5.922 1.00 2.31 O ATOM 39 CG2 THR A 4 27.376 10.721 -4.822 1.00 34.31 C ATOM 0 H THR A 4 26.188 7.753 -4.870 1.00 33.23 H new ATOM 0 HA THR A 4 26.097 9.679 -2.646 1.00 40.13 H new ATOM 0 HB THR A 4 25.375 11.310 -4.362 1.00 24.42 H new ATOM 0 HG1 THR A 4 25.511 10.643 -6.604 1.00 2.31 H new ATOM 0 HG21 THR A 4 27.508 11.482 -5.591 1.00 34.31 H new ATOM 0 HG22 THR A 4 27.768 11.091 -3.875 1.00 34.31 H new ATOM 0 HG23 THR A 4 27.915 9.818 -5.109 1.00 34.31 H new ATOM 47 N SER A 5 23.573 9.841 -2.493 1.00 21.34 N ATOM 48 CA SER A 5 22.145 9.716 -2.227 1.00 51.32 C ATOM 49 C SER A 5 21.330 10.496 -3.256 1.00 34.44 C ATOM 50 O SER A 5 21.887 11.182 -4.113 1.00 33.21 O ATOM 51 CB SER A 5 21.820 10.215 -0.818 1.00 63.12 C ATOM 52 OG SER A 5 22.137 9.236 0.156 1.00 54.51 O ATOM 0 H SER A 5 24.050 10.535 -1.917 1.00 21.34 H new ATOM 0 HA SER A 5 21.879 8.662 -2.301 1.00 51.32 H new ATOM 0 HB2 SER A 5 22.378 11.129 -0.615 1.00 63.12 H new ATOM 0 HB3 SER A 5 20.762 10.467 -0.753 1.00 63.12 H new ATOM 0 HG SER A 5 21.922 9.580 1.048 1.00 54.51 H new ATOM 58 N MET A 6 20.010 10.385 -3.162 1.00 2.13 N ATOM 59 CA MET A 6 19.118 11.080 -4.083 1.00 42.33 C ATOM 60 C MET A 6 17.661 10.910 -3.663 1.00 22.20 C ATOM 61 O MET A 6 17.286 9.883 -3.099 1.00 51.20 O ATOM 62 CB MET A 6 19.314 10.560 -5.507 1.00 54.31 C ATOM 63 CG MET A 6 18.802 11.509 -6.578 1.00 44.31 C ATOM 64 SD MET A 6 20.084 11.989 -7.753 1.00 34.32 S ATOM 65 CE MET A 6 19.862 13.765 -7.789 1.00 55.43 C ATOM 0 H MET A 6 19.534 9.821 -2.458 1.00 2.13 H new ATOM 0 HA MET A 6 19.364 12.142 -4.055 1.00 42.33 H new ATOM 0 HB2 MET A 6 20.375 10.375 -5.674 1.00 54.31 H new ATOM 0 HB3 MET A 6 18.804 9.602 -5.608 1.00 54.31 H new ATOM 0 HG2 MET A 6 17.981 11.035 -7.116 1.00 44.31 H new ATOM 0 HG3 MET A 6 18.397 12.403 -6.103 1.00 44.31 H new ATOM 0 HE1 MET A 6 20.585 14.208 -8.474 1.00 55.43 H new ATOM 0 HE2 MET A 6 18.852 13.999 -8.126 1.00 55.43 H new ATOM 0 HE3 MET A 6 20.014 14.171 -6.789 1.00 55.43 H new ATOM 75 N GLU A 7 16.848 11.924 -3.940 1.00 51.30 N ATOM 76 CA GLU A 7 15.433 11.885 -3.588 1.00 41.52 C ATOM 77 C GLU A 7 14.560 11.917 -4.840 1.00 24.21 C ATOM 78 O GLU A 7 13.431 11.428 -4.835 1.00 42.05 O ATOM 79 CB GLU A 7 15.079 13.061 -2.676 1.00 2.21 C ATOM 80 CG GLU A 7 15.138 14.411 -3.372 1.00 64.42 C ATOM 81 CD GLU A 7 15.288 15.563 -2.398 1.00 24.14 C ATOM 82 OE1 GLU A 7 16.249 15.547 -1.602 1.00 23.21 O ATOM 83 OE2 GLU A 7 14.441 16.482 -2.432 1.00 22.05 O ATOM 0 H GLU A 7 17.144 12.782 -4.406 1.00 51.30 H new ATOM 0 HA GLU A 7 15.242 10.953 -3.057 1.00 41.52 H new ATOM 0 HB2 GLU A 7 14.076 12.911 -2.277 1.00 2.21 H new ATOM 0 HB3 GLU A 7 15.762 13.070 -1.827 1.00 2.21 H new ATOM 0 HG2 GLU A 7 15.975 14.419 -4.070 1.00 64.42 H new ATOM 0 HG3 GLU A 7 14.231 14.553 -3.960 1.00 64.42 H new ATOM 90 N ASN A 8 15.093 12.498 -5.910 1.00 1.33 N ATOM 91 CA ASN A 8 14.363 12.596 -7.169 1.00 14.22 C ATOM 92 C ASN A 8 15.132 11.916 -8.298 1.00 43.52 C ATOM 93 O ASN A 8 16.018 12.516 -8.909 1.00 45.23 O ATOM 94 CB ASN A 8 14.106 14.063 -7.522 1.00 31.44 C ATOM 95 CG ASN A 8 13.268 14.218 -8.776 1.00 35.24 C ATOM 96 OD1 ASN A 8 12.740 13.241 -9.308 1.00 2.21 O ATOM 97 ND2 ASN A 8 13.141 15.450 -9.254 1.00 61.44 N ATOM 0 H ASN A 8 16.027 12.908 -5.931 1.00 1.33 H new ATOM 0 HA ASN A 8 13.407 12.087 -7.046 1.00 14.22 H new ATOM 0 HB2 ASN A 8 13.601 14.551 -6.688 1.00 31.44 H new ATOM 0 HB3 ASN A 8 15.059 14.573 -7.660 1.00 31.44 H new ATOM 0 HD21 ASN A 8 12.588 15.616 -10.095 1.00 61.44 H new ATOM 0 HD22 ASN A 8 13.596 16.230 -8.780 1.00 61.44 H new ATOM 104 N LEU A 9 14.787 10.663 -8.571 1.00 71.31 N ATOM 105 CA LEU A 9 15.444 9.901 -9.627 1.00 61.42 C ATOM 106 C LEU A 9 14.665 9.998 -10.934 1.00 2.34 C ATOM 107 O LEU A 9 14.907 9.238 -11.872 1.00 71.44 O ATOM 108 CB LEU A 9 15.588 8.435 -9.212 1.00 44.31 C ATOM 109 CG LEU A 9 14.330 7.771 -8.652 1.00 3.41 C ATOM 110 CD1 LEU A 9 14.154 6.379 -9.240 1.00 71.11 C ATOM 111 CD2 LEU A 9 14.392 7.706 -7.133 1.00 30.11 C ATOM 0 H LEU A 9 14.056 10.153 -8.076 1.00 71.31 H new ATOM 0 HA LEU A 9 16.435 10.326 -9.785 1.00 61.42 H new ATOM 0 HB2 LEU A 9 15.922 7.864 -10.078 1.00 44.31 H new ATOM 0 HB3 LEU A 9 16.376 8.366 -8.462 1.00 44.31 H new ATOM 0 HG LEU A 9 13.468 8.374 -8.935 1.00 3.41 H new ATOM 0 HD11 LEU A 9 13.254 5.922 -8.830 1.00 71.11 H new ATOM 0 HD12 LEU A 9 14.063 6.451 -10.324 1.00 71.11 H new ATOM 0 HD13 LEU A 9 15.019 5.766 -8.988 1.00 71.11 H new ATOM 0 HD21 LEU A 9 13.488 7.230 -6.752 1.00 30.11 H new ATOM 0 HD22 LEU A 9 15.263 7.126 -6.829 1.00 30.11 H new ATOM 0 HD23 LEU A 9 14.469 8.715 -6.728 1.00 30.11 H new ATOM 123 N VAL A 10 13.728 10.939 -10.990 1.00 10.31 N ATOM 124 CA VAL A 10 12.914 11.138 -12.183 1.00 2.43 C ATOM 125 C VAL A 10 13.785 11.270 -13.427 1.00 31.41 C ATOM 126 O VAL A 10 13.369 10.916 -14.530 1.00 31.21 O ATOM 127 CB VAL A 10 12.028 12.391 -12.056 1.00 4.45 C ATOM 128 CG1 VAL A 10 12.868 13.654 -12.162 1.00 74.41 C ATOM 129 CG2 VAL A 10 10.933 12.380 -13.112 1.00 14.33 C ATOM 0 H VAL A 10 13.514 11.576 -10.223 1.00 10.31 H new ATOM 0 HA VAL A 10 12.276 10.259 -12.280 1.00 2.43 H new ATOM 0 HB VAL A 10 11.555 12.380 -11.074 1.00 4.45 H new ATOM 0 HG11 VAL A 10 12.224 14.528 -12.070 1.00 74.41 H new ATOM 0 HG12 VAL A 10 13.611 13.665 -11.364 1.00 74.41 H new ATOM 0 HG13 VAL A 10 13.373 13.675 -13.128 1.00 74.41 H new ATOM 0 HG21 VAL A 10 10.317 13.273 -13.007 1.00 14.33 H new ATOM 0 HG22 VAL A 10 11.384 12.365 -14.104 1.00 14.33 H new ATOM 0 HG23 VAL A 10 10.312 11.494 -12.983 1.00 14.33 H new ATOM 139 N SER A 11 14.998 11.782 -13.241 1.00 73.30 N ATOM 140 CA SER A 11 15.929 11.965 -14.349 1.00 52.40 C ATOM 141 C SER A 11 16.517 10.628 -14.790 1.00 34.40 C ATOM 142 O SER A 11 16.652 10.359 -15.984 1.00 41.50 O ATOM 143 CB SER A 11 17.053 12.921 -13.947 1.00 11.22 C ATOM 144 OG SER A 11 17.350 12.807 -12.566 1.00 73.40 O ATOM 0 H SER A 11 15.359 12.077 -12.334 1.00 73.30 H new ATOM 0 HA SER A 11 15.379 12.395 -15.186 1.00 52.40 H new ATOM 0 HB2 SER A 11 17.946 12.704 -14.533 1.00 11.22 H new ATOM 0 HB3 SER A 11 16.762 13.946 -14.176 1.00 11.22 H new ATOM 0 HG SER A 11 18.073 13.427 -12.335 1.00 73.40 H new ATOM 150 N LEU A 12 16.866 9.793 -13.818 1.00 21.13 N ATOM 151 CA LEU A 12 17.440 8.483 -14.103 1.00 53.22 C ATOM 152 C LEU A 12 16.363 7.403 -14.101 1.00 23.30 C ATOM 153 O LEU A 12 16.662 6.215 -13.989 1.00 24.13 O ATOM 154 CB LEU A 12 18.521 8.142 -13.075 1.00 43.54 C ATOM 155 CG LEU A 12 18.140 8.343 -11.608 1.00 45.31 C ATOM 156 CD1 LEU A 12 18.386 7.072 -10.813 1.00 33.43 C ATOM 157 CD2 LEU A 12 18.916 9.508 -11.010 1.00 71.01 C ATOM 0 H LEU A 12 16.761 10.000 -12.825 1.00 21.13 H new ATOM 0 HA LEU A 12 17.889 8.520 -15.095 1.00 53.22 H new ATOM 0 HB2 LEU A 12 18.811 7.101 -13.215 1.00 43.54 H new ATOM 0 HB3 LEU A 12 19.401 8.749 -13.288 1.00 43.54 H new ATOM 0 HG LEU A 12 17.077 8.577 -11.558 1.00 45.31 H new ATOM 0 HD11 LEU A 12 18.109 7.235 -9.771 1.00 33.43 H new ATOM 0 HD12 LEU A 12 17.785 6.262 -11.226 1.00 33.43 H new ATOM 0 HD13 LEU A 12 19.441 6.806 -10.870 1.00 33.43 H new ATOM 0 HD21 LEU A 12 18.632 9.636 -9.966 1.00 71.01 H new ATOM 0 HD22 LEU A 12 19.985 9.304 -11.073 1.00 71.01 H new ATOM 0 HD23 LEU A 12 18.688 10.419 -11.563 1.00 71.01 H new ATOM 169 N GLN A 13 15.109 7.826 -14.229 1.00 11.44 N ATOM 170 CA GLN A 13 13.987 6.895 -14.243 1.00 21.12 C ATOM 171 C GLN A 13 13.952 6.103 -15.546 1.00 73.14 C ATOM 172 O GLN A 13 13.450 4.981 -15.589 1.00 2.03 O ATOM 173 CB GLN A 13 12.669 7.648 -14.055 1.00 71.31 C ATOM 174 CG GLN A 13 12.166 7.646 -12.621 1.00 0.02 C ATOM 175 CD GLN A 13 10.791 8.270 -12.483 1.00 53.32 C ATOM 176 OE1 GLN A 13 10.094 8.488 -13.475 1.00 22.04 O ATOM 177 NE2 GLN A 13 10.393 8.560 -11.250 1.00 41.55 N ATOM 0 H GLN A 13 14.845 8.807 -14.324 1.00 11.44 H new ATOM 0 HA GLN A 13 14.119 6.196 -13.417 1.00 21.12 H new ATOM 0 HB2 GLN A 13 12.799 8.679 -14.384 1.00 71.31 H new ATOM 0 HB3 GLN A 13 11.910 7.202 -14.698 1.00 71.31 H new ATOM 0 HG2 GLN A 13 12.134 6.621 -12.253 1.00 0.02 H new ATOM 0 HG3 GLN A 13 12.872 8.189 -11.992 1.00 0.02 H new ATOM 0 HE21 GLN A 13 11.003 8.362 -10.457 1.00 41.55 H new ATOM 0 HE22 GLN A 13 9.477 8.981 -11.096 1.00 41.55 H new ATOM 186 N ASN A 14 14.491 6.696 -16.607 1.00 71.22 N ATOM 187 CA ASN A 14 14.521 6.046 -17.912 1.00 72.42 C ATOM 188 C ASN A 14 15.202 6.937 -18.948 1.00 10.03 C ATOM 189 O ASN A 14 14.602 7.301 -19.959 1.00 43.24 O ATOM 190 CB ASN A 14 13.101 5.707 -18.369 1.00 24.12 C ATOM 191 CG ASN A 14 12.105 6.794 -18.014 1.00 2.52 C ATOM 192 OD1 ASN A 14 11.251 6.517 -17.035 1.00 14.31 O flip ATOM 193 ND2 ASN A 14 12.102 7.870 -18.613 1.00 63.34 N flip ATOM 0 H ASN A 14 14.912 7.625 -16.588 1.00 71.22 H new ATOM 0 HA ASN A 14 15.095 5.124 -17.818 1.00 72.42 H new ATOM 0 HB2 ASN A 14 13.097 5.552 -19.448 1.00 24.12 H new ATOM 0 HB3 ASN A 14 12.789 4.768 -17.911 1.00 24.12 H new ATOM 0 HD21 ASN A 14 12.776 8.040 -19.359 1.00 63.34 H new ATOM 0 HD22 ASN A 14 11.425 8.591 -18.363 1.00 63.34 H new ATOM 200 N LEU A 15 16.457 7.282 -18.688 1.00 62.23 N ATOM 201 CA LEU A 15 17.221 8.130 -19.597 1.00 32.21 C ATOM 202 C LEU A 15 18.636 8.353 -19.074 1.00 75.04 C ATOM 203 O LEU A 15 18.847 9.098 -18.116 1.00 13.43 O ATOM 204 CB LEU A 15 16.517 9.475 -19.784 1.00 72.14 C ATOM 205 CG LEU A 15 15.992 9.768 -21.190 1.00 14.23 C ATOM 206 CD1 LEU A 15 15.211 11.073 -21.208 1.00 33.01 C ATOM 207 CD2 LEU A 15 17.140 9.818 -22.189 1.00 22.15 C ATOM 0 H LEU A 15 16.968 6.988 -17.856 1.00 62.23 H new ATOM 0 HA LEU A 15 17.285 7.623 -20.560 1.00 32.21 H new ATOM 0 HB2 LEU A 15 15.680 9.524 -19.088 1.00 72.14 H new ATOM 0 HB3 LEU A 15 17.211 10.268 -19.504 1.00 72.14 H new ATOM 0 HG LEU A 15 15.319 8.961 -21.480 1.00 14.23 H new ATOM 0 HD11 LEU A 15 14.846 11.264 -22.217 1.00 33.01 H new ATOM 0 HD12 LEU A 15 14.366 11.001 -20.523 1.00 33.01 H new ATOM 0 HD13 LEU A 15 15.861 11.890 -20.896 1.00 33.01 H new ATOM 0 HD21 LEU A 15 16.748 10.028 -23.184 1.00 22.15 H new ATOM 0 HD22 LEU A 15 17.839 10.604 -21.902 1.00 22.15 H new ATOM 0 HD23 LEU A 15 17.657 8.858 -22.198 1.00 22.15 H new ATOM 219 N LEU A 16 19.605 7.703 -19.711 1.00 64.52 N ATOM 220 CA LEU A 16 21.003 7.833 -19.312 1.00 34.15 C ATOM 221 C LEU A 16 21.860 8.313 -20.478 1.00 63.03 C ATOM 222 O LEU A 16 22.839 7.665 -20.853 1.00 5.43 O ATOM 223 CB LEU A 16 21.531 6.493 -18.794 1.00 43.02 C ATOM 224 CG LEU A 16 20.704 5.825 -17.695 1.00 20.01 C ATOM 225 CD1 LEU A 16 20.911 4.319 -17.712 1.00 55.04 C ATOM 226 CD2 LEU A 16 21.064 6.400 -16.333 1.00 13.24 C ATOM 0 H LEU A 16 19.449 7.082 -20.505 1.00 64.52 H new ATOM 0 HA LEU A 16 21.061 8.574 -18.514 1.00 34.15 H new ATOM 0 HB2 LEU A 16 21.604 5.804 -19.636 1.00 43.02 H new ATOM 0 HB3 LEU A 16 22.543 6.645 -18.418 1.00 43.02 H new ATOM 0 HG LEU A 16 19.650 6.028 -17.886 1.00 20.01 H new ATOM 0 HD11 LEU A 16 20.315 3.861 -16.923 1.00 55.04 H new ATOM 0 HD12 LEU A 16 20.602 3.920 -18.678 1.00 55.04 H new ATOM 0 HD13 LEU A 16 21.965 4.095 -17.547 1.00 55.04 H new ATOM 0 HD21 LEU A 16 20.466 5.913 -15.563 1.00 13.24 H new ATOM 0 HD22 LEU A 16 22.122 6.228 -16.134 1.00 13.24 H new ATOM 0 HD23 LEU A 16 20.863 7.471 -16.326 1.00 13.24 H new ATOM 238 N VAL A 17 21.488 9.455 -21.048 1.00 40.30 N ATOM 239 CA VAL A 17 22.224 10.025 -22.170 1.00 72.33 C ATOM 240 C VAL A 17 23.481 10.744 -21.695 1.00 23.45 C ATOM 241 O VAL A 17 24.437 10.914 -22.451 1.00 53.43 O ATOM 242 CB VAL A 17 21.353 11.012 -22.970 1.00 12.10 C ATOM 243 CG1 VAL A 17 20.232 10.275 -23.687 1.00 13.12 C ATOM 244 CG2 VAL A 17 20.794 12.090 -22.055 1.00 1.43 C ATOM 0 H VAL A 17 20.681 10.004 -20.751 1.00 40.30 H new ATOM 0 HA VAL A 17 22.507 9.194 -22.817 1.00 72.33 H new ATOM 0 HB VAL A 17 21.977 11.494 -23.722 1.00 12.10 H new ATOM 0 HG11 VAL A 17 19.627 10.988 -24.247 1.00 13.12 H new ATOM 0 HG12 VAL A 17 20.658 9.543 -24.373 1.00 13.12 H new ATOM 0 HG13 VAL A 17 19.606 9.764 -22.955 1.00 13.12 H new ATOM 0 HG21 VAL A 17 20.181 12.779 -22.636 1.00 1.43 H new ATOM 0 HG22 VAL A 17 20.184 11.628 -21.279 1.00 1.43 H new ATOM 0 HG23 VAL A 17 21.616 12.637 -21.593 1.00 1.43 H new ATOM 254 N TYR A 18 23.474 11.165 -20.434 1.00 54.22 N ATOM 255 CA TYR A 18 24.613 11.868 -19.856 1.00 21.11 C ATOM 256 C TYR A 18 24.865 13.185 -20.583 1.00 43.30 C ATOM 257 O TYR A 18 25.769 13.287 -21.413 1.00 44.11 O ATOM 258 CB TYR A 18 25.865 10.991 -19.918 1.00 24.45 C ATOM 259 CG TYR A 18 26.174 10.286 -18.616 1.00 11.50 C ATOM 260 CD1 TYR A 18 26.288 10.997 -17.428 1.00 1.44 C ATOM 261 CD2 TYR A 18 26.354 8.908 -18.575 1.00 42.35 C ATOM 262 CE1 TYR A 18 26.570 10.357 -16.236 1.00 72.44 C ATOM 263 CE2 TYR A 18 26.636 8.261 -17.388 1.00 34.12 C ATOM 264 CZ TYR A 18 26.743 8.989 -16.222 1.00 0.01 C ATOM 265 OH TYR A 18 27.025 8.346 -15.038 1.00 24.51 O ATOM 0 H TYR A 18 22.692 11.031 -19.793 1.00 54.22 H new ATOM 0 HA TYR A 18 24.382 12.087 -18.814 1.00 21.11 H new ATOM 0 HB2 TYR A 18 25.739 10.246 -20.704 1.00 24.45 H new ATOM 0 HB3 TYR A 18 26.718 11.609 -20.199 1.00 24.45 H new ATOM 0 HD1 TYR A 18 26.154 12.069 -17.436 1.00 1.44 H new ATOM 0 HD2 TYR A 18 26.272 8.334 -19.486 1.00 42.35 H new ATOM 0 HE1 TYR A 18 26.654 10.925 -15.321 1.00 72.44 H new ATOM 0 HE2 TYR A 18 26.772 7.190 -17.373 1.00 34.12 H new ATOM 0 HH TYR A 18 27.116 7.384 -15.202 1.00 24.51 H new ATOM 275 N VAL A 19 24.059 14.194 -20.264 1.00 33.42 N ATOM 276 CA VAL A 19 24.195 15.507 -20.883 1.00 32.24 C ATOM 277 C VAL A 19 23.153 16.480 -20.342 1.00 33.22 C ATOM 278 O VAL A 19 21.974 16.146 -20.236 1.00 60.20 O ATOM 279 CB VAL A 19 24.055 15.421 -22.415 1.00 3.22 C ATOM 280 CG1 VAL A 19 22.794 14.659 -22.794 1.00 71.32 C ATOM 281 CG2 VAL A 19 24.051 16.814 -23.027 1.00 72.42 C ATOM 0 H VAL A 19 23.305 14.126 -19.580 1.00 33.42 H new ATOM 0 HA VAL A 19 25.192 15.873 -20.636 1.00 32.24 H new ATOM 0 HB VAL A 19 24.912 14.877 -22.812 1.00 3.22 H new ATOM 0 HG11 VAL A 19 22.712 14.608 -23.880 1.00 71.32 H new ATOM 0 HG12 VAL A 19 22.843 13.649 -22.386 1.00 71.32 H new ATOM 0 HG13 VAL A 19 21.923 15.173 -22.388 1.00 71.32 H new ATOM 0 HG21 VAL A 19 23.951 16.735 -24.110 1.00 72.42 H new ATOM 0 HG22 VAL A 19 23.214 17.385 -22.626 1.00 72.42 H new ATOM 0 HG23 VAL A 19 24.985 17.321 -22.784 1.00 72.42 H new ATOM 291 N ASN A 20 23.599 17.684 -20.001 1.00 2.13 N ATOM 292 CA ASN A 20 22.705 18.707 -19.470 1.00 44.14 C ATOM 293 C ASN A 20 21.483 18.881 -20.368 1.00 34.12 C ATOM 294 O ASN A 20 21.590 19.373 -21.491 1.00 14.00 O ATOM 295 CB ASN A 20 23.444 20.040 -19.334 1.00 73.44 C ATOM 296 CG ASN A 20 22.615 21.091 -18.622 1.00 20.34 C ATOM 297 OD1 ASN A 20 21.738 20.767 -17.820 1.00 62.42 O ATOM 298 ND2 ASN A 20 22.890 22.358 -18.911 1.00 13.43 N ATOM 0 H ASN A 20 24.573 17.976 -20.083 1.00 2.13 H new ATOM 0 HA ASN A 20 22.368 18.383 -18.485 1.00 44.14 H new ATOM 0 HB2 ASN A 20 24.374 19.883 -18.787 1.00 73.44 H new ATOM 0 HB3 ASN A 20 23.715 20.405 -20.325 1.00 73.44 H new ATOM 0 HD21 ASN A 20 22.366 23.109 -18.462 1.00 13.43 H new ATOM 0 HD22 ASN A 20 23.625 22.580 -19.582 1.00 13.43 H new ATOM 305 N TRP A 21 20.323 18.474 -19.863 1.00 65.14 N ATOM 306 CA TRP A 21 19.080 18.585 -20.619 1.00 63.24 C ATOM 307 C TRP A 21 19.124 17.714 -21.870 1.00 64.12 C ATOM 308 O TRP A 21 20.166 17.589 -22.514 1.00 23.14 O ATOM 309 CB TRP A 21 18.824 20.043 -21.006 1.00 1.41 C ATOM 310 CG TRP A 21 18.024 20.191 -22.265 1.00 1.34 C ATOM 311 CD1 TRP A 21 16.680 20.410 -22.360 1.00 12.55 C ATOM 312 CD2 TRP A 21 18.519 20.129 -23.607 1.00 25.42 C ATOM 313 NE1 TRP A 21 16.308 20.487 -23.681 1.00 45.12 N ATOM 314 CE2 TRP A 21 17.419 20.320 -24.465 1.00 11.22 C ATOM 315 CE3 TRP A 21 19.784 19.934 -24.167 1.00 32.43 C ATOM 316 CZ2 TRP A 21 17.547 20.319 -25.852 1.00 32.42 C ATOM 317 CZ3 TRP A 21 19.910 19.933 -25.542 1.00 40.14 C ATOM 318 CH2 TRP A 21 18.798 20.125 -26.372 1.00 53.13 C ATOM 0 H TRP A 21 20.217 18.065 -18.935 1.00 65.14 H new ATOM 0 HA TRP A 21 18.265 18.236 -19.985 1.00 63.24 H new ATOM 0 HB2 TRP A 21 18.300 20.541 -20.190 1.00 1.41 H new ATOM 0 HB3 TRP A 21 19.780 20.552 -21.129 1.00 1.41 H new ATOM 0 HD1 TRP A 21 16.008 20.508 -21.521 1.00 12.55 H new ATOM 0 HE1 TRP A 21 15.359 20.643 -24.022 1.00 45.12 H new ATOM 0 HE3 TRP A 21 20.648 19.787 -23.536 1.00 32.43 H new ATOM 0 HZ2 TRP A 21 16.691 20.466 -26.493 1.00 32.42 H new ATOM 0 HZ3 TRP A 21 20.883 19.782 -25.985 1.00 40.14 H new ATOM 0 HH2 TRP A 21 18.931 20.120 -27.444 1.00 53.13 H new ATOM 329 N SER A 22 17.987 17.115 -22.208 1.00 2.20 N ATOM 330 CA SER A 22 17.897 16.253 -23.381 1.00 41.23 C ATOM 331 C SER A 22 16.495 15.667 -23.517 1.00 75.33 C ATOM 332 O SER A 22 16.290 14.469 -23.325 1.00 33.30 O ATOM 333 CB SER A 22 18.928 15.126 -23.291 1.00 20.10 C ATOM 334 OG SER A 22 20.115 15.464 -23.987 1.00 53.31 O ATOM 0 H SER A 22 17.116 17.210 -21.687 1.00 2.20 H new ATOM 0 HA SER A 22 18.106 16.857 -24.264 1.00 41.23 H new ATOM 0 HB2 SER A 22 19.161 14.924 -22.245 1.00 20.10 H new ATOM 0 HB3 SER A 22 18.507 14.210 -23.706 1.00 20.10 H new ATOM 0 HG SER A 22 20.458 16.319 -23.652 1.00 53.31 H new ATOM 340 N SER A 23 15.534 16.521 -23.852 1.00 13.13 N ATOM 341 CA SER A 23 14.150 16.089 -24.011 1.00 10.10 C ATOM 342 C SER A 23 13.679 15.310 -22.786 1.00 70.23 C ATOM 343 O SER A 23 13.817 14.089 -22.724 1.00 31.14 O ATOM 344 CB SER A 23 14.004 15.226 -25.266 1.00 12.13 C ATOM 345 OG SER A 23 14.651 15.824 -26.375 1.00 42.40 O ATOM 0 H SER A 23 15.688 17.516 -24.019 1.00 13.13 H new ATOM 0 HA SER A 23 13.528 16.978 -24.115 1.00 10.10 H new ATOM 0 HB2 SER A 23 14.428 14.238 -25.083 1.00 12.13 H new ATOM 0 HB3 SER A 23 12.947 15.083 -25.492 1.00 12.13 H new ATOM 0 HG SER A 23 14.544 15.252 -27.164 1.00 42.40 H new ATOM 351 N TYR A 24 13.124 16.027 -21.815 1.00 71.23 N ATOM 352 CA TYR A 24 12.635 15.405 -20.591 1.00 60.21 C ATOM 353 C TYR A 24 11.745 14.206 -20.906 1.00 30.03 C ATOM 354 O TYR A 24 11.110 14.132 -21.958 1.00 51.21 O ATOM 355 CB TYR A 24 11.860 16.422 -19.751 1.00 44.30 C ATOM 356 CG TYR A 24 12.735 17.232 -18.821 1.00 12.15 C ATOM 357 CD1 TYR A 24 13.995 17.662 -19.219 1.00 41.34 C ATOM 358 CD2 TYR A 24 12.304 17.565 -17.543 1.00 52.51 C ATOM 359 CE1 TYR A 24 14.797 18.402 -18.373 1.00 73.30 C ATOM 360 CE2 TYR A 24 13.099 18.305 -16.690 1.00 14.14 C ATOM 361 CZ TYR A 24 14.346 18.721 -17.109 1.00 54.22 C ATOM 362 OH TYR A 24 15.142 19.457 -16.263 1.00 14.23 O ATOM 0 H TYR A 24 13.002 17.039 -21.852 1.00 71.23 H new ATOM 0 HA TYR A 24 13.497 15.055 -20.023 1.00 60.21 H new ATOM 0 HB2 TYR A 24 11.327 17.100 -20.417 1.00 44.30 H new ATOM 0 HB3 TYR A 24 11.108 15.897 -19.163 1.00 44.30 H new ATOM 0 HD1 TYR A 24 14.353 17.413 -20.207 1.00 41.34 H new ATOM 0 HD2 TYR A 24 11.329 17.239 -17.210 1.00 52.51 H new ATOM 0 HE1 TYR A 24 15.773 18.730 -18.699 1.00 73.30 H new ATOM 0 HE2 TYR A 24 12.747 18.557 -15.701 1.00 14.14 H new ATOM 0 HH TYR A 24 14.675 19.595 -15.412 1.00 14.23 H new ATOM 372 N PRO A 25 11.698 13.244 -19.973 1.00 20.31 N ATOM 373 CA PRO A 25 10.889 12.031 -20.126 1.00 53.34 C ATOM 374 C PRO A 25 9.393 12.318 -20.047 1.00 53.21 C ATOM 375 O PRO A 25 8.980 13.409 -19.653 1.00 21.11 O ATOM 376 CB PRO A 25 11.329 11.160 -18.947 1.00 52.30 C ATOM 377 CG PRO A 25 11.824 12.126 -17.927 1.00 33.45 C ATOM 378 CD PRO A 25 12.429 13.267 -18.695 1.00 34.14 C ATOM 0 HA PRO A 25 11.038 11.562 -21.099 1.00 53.34 H new ATOM 0 HB2 PRO A 25 10.500 10.567 -18.561 1.00 52.30 H new ATOM 0 HB3 PRO A 25 12.111 10.460 -19.242 1.00 52.30 H new ATOM 0 HG2 PRO A 25 11.010 12.473 -17.291 1.00 33.45 H new ATOM 0 HG3 PRO A 25 12.562 11.660 -17.275 1.00 33.45 H new ATOM 0 HD2 PRO A 25 12.298 14.216 -18.174 1.00 34.14 H new ATOM 0 HD3 PRO A 25 13.500 13.129 -18.842 1.00 34.14 H new ATOM 386 N LYS A 26 8.586 11.332 -20.425 1.00 20.42 N ATOM 387 CA LYS A 26 7.136 11.477 -20.394 1.00 54.53 C ATOM 388 C LYS A 26 6.537 10.721 -19.213 1.00 23.42 C ATOM 389 O LYS A 26 7.158 9.807 -18.669 1.00 53.02 O ATOM 390 CB LYS A 26 6.525 10.967 -21.702 1.00 52.04 C ATOM 391 CG LYS A 26 5.609 9.769 -21.518 1.00 53.25 C ATOM 392 CD LYS A 26 5.166 9.196 -22.855 1.00 41.13 C ATOM 393 CE LYS A 26 3.807 8.521 -22.749 1.00 62.12 C ATOM 394 NZ LYS A 26 3.210 8.264 -24.088 1.00 52.41 N ATOM 0 H LYS A 26 8.912 10.424 -20.756 1.00 20.42 H new ATOM 0 HA LYS A 26 6.905 12.536 -20.279 1.00 54.53 H new ATOM 0 HB2 LYS A 26 5.963 11.775 -22.170 1.00 52.04 H new ATOM 0 HB3 LYS A 26 7.328 10.698 -22.388 1.00 52.04 H new ATOM 0 HG2 LYS A 26 6.125 8.999 -20.944 1.00 53.25 H new ATOM 0 HG3 LYS A 26 4.734 10.064 -20.939 1.00 53.25 H new ATOM 0 HD2 LYS A 26 5.121 9.993 -23.597 1.00 41.13 H new ATOM 0 HD3 LYS A 26 5.905 8.476 -23.206 1.00 41.13 H new ATOM 0 HE2 LYS A 26 3.910 7.579 -22.211 1.00 62.12 H new ATOM 0 HE3 LYS A 26 3.134 9.149 -22.166 1.00 62.12 H new ATOM 0 HZ1 LYS A 26 2.285 7.803 -23.973 1.00 52.41 H new ATOM 0 HZ2 LYS A 26 3.088 9.165 -24.592 1.00 52.41 H new ATOM 0 HZ3 LYS A 26 3.840 7.644 -24.636 1.00 52.41 H new ATOM 408 N TYR A 27 5.328 11.108 -18.821 1.00 34.14 N ATOM 409 CA TYR A 27 4.647 10.466 -17.703 1.00 23.34 C ATOM 410 C TYR A 27 4.677 8.947 -17.844 1.00 41.45 C ATOM 411 O TYR A 27 4.148 8.393 -18.807 1.00 40.34 O ATOM 412 CB TYR A 27 3.199 10.952 -17.614 1.00 25.43 C ATOM 413 CG TYR A 27 2.312 10.062 -16.774 1.00 23.13 C ATOM 414 CD1 TYR A 27 2.624 9.788 -15.448 1.00 70.32 C ATOM 415 CD2 TYR A 27 1.160 9.494 -17.306 1.00 25.21 C ATOM 416 CE1 TYR A 27 1.817 8.974 -14.677 1.00 63.03 C ATOM 417 CE2 TYR A 27 0.346 8.682 -16.542 1.00 74.40 C ATOM 418 CZ TYR A 27 0.679 8.424 -15.228 1.00 43.52 C ATOM 419 OH TYR A 27 -0.129 7.613 -14.464 1.00 32.13 O ATOM 0 H TYR A 27 4.800 11.862 -19.260 1.00 34.14 H new ATOM 0 HA TYR A 27 5.172 10.738 -16.787 1.00 23.34 H new ATOM 0 HB2 TYR A 27 3.188 11.959 -17.197 1.00 25.43 H new ATOM 0 HB3 TYR A 27 2.784 11.018 -18.620 1.00 25.43 H new ATOM 0 HD1 TYR A 27 3.513 10.219 -15.012 1.00 70.32 H new ATOM 0 HD2 TYR A 27 0.897 9.691 -18.335 1.00 25.21 H new ATOM 0 HE1 TYR A 27 2.076 8.770 -13.649 1.00 63.03 H new ATOM 0 HE2 TYR A 27 -0.547 8.251 -16.970 1.00 74.40 H new ATOM 0 HH TYR A 27 -0.072 7.886 -13.525 1.00 32.13 H new ATOM 429 N GLU A 28 5.299 8.281 -16.876 1.00 53.24 N ATOM 430 CA GLU A 28 5.398 6.826 -16.894 1.00 64.12 C ATOM 431 C GLU A 28 4.505 6.208 -15.823 1.00 14.05 C ATOM 432 O GLU A 28 4.878 6.100 -14.654 1.00 60.32 O ATOM 433 CB GLU A 28 6.849 6.390 -16.678 1.00 53.45 C ATOM 434 CG GLU A 28 7.517 5.854 -17.935 1.00 4.41 C ATOM 435 CD GLU A 28 6.725 4.734 -18.583 1.00 72.43 C ATOM 436 OE1 GLU A 28 5.880 4.130 -17.892 1.00 12.52 O ATOM 437 OE2 GLU A 28 6.954 4.462 -19.780 1.00 24.31 O ATOM 0 H GLU A 28 5.741 8.725 -16.071 1.00 53.24 H new ATOM 0 HA GLU A 28 5.062 6.475 -17.870 1.00 64.12 H new ATOM 0 HB2 GLU A 28 7.423 7.238 -16.305 1.00 53.45 H new ATOM 0 HB3 GLU A 28 6.878 5.622 -15.905 1.00 53.45 H new ATOM 0 HG2 GLU A 28 7.642 6.667 -18.650 1.00 4.41 H new ATOM 0 HG3 GLU A 28 8.515 5.492 -17.686 1.00 4.41 H new ATOM 444 N PRO A 29 3.297 5.791 -16.228 1.00 51.42 N ATOM 445 CA PRO A 29 2.325 5.176 -15.319 1.00 73.11 C ATOM 446 C PRO A 29 2.758 3.788 -14.861 1.00 22.24 C ATOM 447 O PRO A 29 3.116 2.938 -15.676 1.00 31.24 O ATOM 448 CB PRO A 29 1.054 5.087 -16.167 1.00 12.33 C ATOM 449 CG PRO A 29 1.539 5.048 -17.575 1.00 55.42 C ATOM 450 CD PRO A 29 2.786 5.887 -17.606 1.00 71.53 C ATOM 0 HA PRO A 29 2.203 5.752 -14.402 1.00 73.11 H new ATOM 0 HB2 PRO A 29 0.477 4.195 -15.922 1.00 12.33 H new ATOM 0 HB3 PRO A 29 0.403 5.945 -15.996 1.00 12.33 H new ATOM 0 HG2 PRO A 29 1.749 4.025 -17.887 1.00 55.42 H new ATOM 0 HG3 PRO A 29 0.786 5.442 -18.258 1.00 55.42 H new ATOM 0 HD2 PRO A 29 3.508 5.507 -18.329 1.00 71.53 H new ATOM 0 HD3 PRO A 29 2.569 6.919 -17.883 1.00 71.53 H new ATOM 458 N GLY A 30 2.722 3.564 -13.551 1.00 11.32 N ATOM 459 CA GLY A 30 3.113 2.277 -13.007 1.00 11.41 C ATOM 460 C GLY A 30 4.437 2.337 -12.270 1.00 13.53 C ATOM 461 O GLY A 30 5.110 1.319 -12.105 1.00 74.25 O ATOM 0 H GLY A 30 2.429 4.251 -12.857 1.00 11.32 H new ATOM 0 HA2 GLY A 30 2.338 1.923 -12.327 1.00 11.41 H new ATOM 0 HA3 GLY A 30 3.184 1.550 -13.816 1.00 11.41 H new ATOM 465 N LYS A 31 4.812 3.531 -11.826 1.00 50.32 N ATOM 466 CA LYS A 31 6.064 3.721 -11.103 1.00 43.41 C ATOM 467 C LYS A 31 5.940 4.855 -10.090 1.00 12.32 C ATOM 468 O LYS A 31 5.528 5.962 -10.433 1.00 24.51 O ATOM 469 CB LYS A 31 7.201 4.020 -12.082 1.00 34.41 C ATOM 470 CG LYS A 31 7.491 2.881 -13.044 1.00 3.42 C ATOM 471 CD LYS A 31 6.663 2.999 -14.312 1.00 14.51 C ATOM 472 CE LYS A 31 7.519 2.816 -15.556 1.00 52.20 C ATOM 473 NZ LYS A 31 6.888 1.886 -16.533 1.00 41.45 N ATOM 0 H LYS A 31 4.266 4.383 -11.954 1.00 50.32 H new ATOM 0 HA LYS A 31 6.288 2.800 -10.565 1.00 43.41 H new ATOM 0 HB2 LYS A 31 6.951 4.913 -12.655 1.00 34.41 H new ATOM 0 HB3 LYS A 31 8.105 4.247 -11.517 1.00 34.41 H new ATOM 0 HG2 LYS A 31 8.551 2.880 -13.299 1.00 3.42 H new ATOM 0 HG3 LYS A 31 7.279 1.929 -12.557 1.00 3.42 H new ATOM 0 HD2 LYS A 31 5.870 2.251 -14.301 1.00 14.51 H new ATOM 0 HD3 LYS A 31 6.179 3.975 -14.342 1.00 14.51 H new ATOM 0 HE2 LYS A 31 7.682 3.784 -16.030 1.00 52.20 H new ATOM 0 HE3 LYS A 31 8.498 2.432 -15.270 1.00 52.20 H new ATOM 0 HZ1 LYS A 31 7.628 1.345 -17.025 1.00 41.45 H new ATOM 0 HZ2 LYS A 31 6.256 1.231 -16.030 1.00 41.45 H new ATOM 0 HZ3 LYS A 31 6.339 2.432 -17.227 1.00 41.45 H new ATOM 487 N GLU A 32 6.299 4.569 -8.842 1.00 2.21 N ATOM 488 CA GLU A 32 6.228 5.565 -7.781 1.00 22.24 C ATOM 489 C GLU A 32 6.933 6.854 -8.194 1.00 55.42 C ATOM 490 O GLU A 32 7.955 6.821 -8.880 1.00 50.22 O ATOM 491 CB GLU A 32 6.853 5.019 -6.495 1.00 41.45 C ATOM 492 CG GLU A 32 8.372 5.007 -6.515 1.00 73.42 C ATOM 493 CD GLU A 32 8.953 3.726 -5.948 1.00 43.32 C ATOM 494 OE1 GLU A 32 8.491 2.638 -6.351 1.00 20.04 O ATOM 495 OE2 GLU A 32 9.868 3.812 -5.103 1.00 71.42 O ATOM 0 H GLU A 32 6.642 3.656 -8.542 1.00 2.21 H new ATOM 0 HA GLU A 32 5.177 5.789 -7.600 1.00 22.24 H new ATOM 0 HB2 GLU A 32 6.514 5.621 -5.652 1.00 41.45 H new ATOM 0 HB3 GLU A 32 6.492 4.004 -6.328 1.00 41.45 H new ATOM 0 HG2 GLU A 32 8.719 5.136 -7.540 1.00 73.42 H new ATOM 0 HG3 GLU A 32 8.746 5.856 -5.942 1.00 73.42 H new ATOM 502 N TYR A 33 6.380 7.985 -7.774 1.00 43.35 N ATOM 503 CA TYR A 33 6.954 9.285 -8.103 1.00 51.32 C ATOM 504 C TYR A 33 7.180 10.115 -6.844 1.00 4.11 C ATOM 505 O TYR A 33 6.229 10.568 -6.207 1.00 21.32 O ATOM 506 CB TYR A 33 6.039 10.040 -9.069 1.00 14.31 C ATOM 507 CG TYR A 33 6.191 9.608 -10.510 1.00 1.40 C ATOM 508 CD1 TYR A 33 7.233 10.089 -11.293 1.00 53.22 C ATOM 509 CD2 TYR A 33 5.292 8.721 -11.089 1.00 12.01 C ATOM 510 CE1 TYR A 33 7.376 9.699 -12.610 1.00 54.34 C ATOM 511 CE2 TYR A 33 5.428 8.324 -12.405 1.00 53.42 C ATOM 512 CZ TYR A 33 6.471 8.816 -13.162 1.00 34.31 C ATOM 513 OH TYR A 33 6.609 8.423 -14.473 1.00 54.41 O ATOM 0 H TYR A 33 5.535 8.029 -7.205 1.00 43.35 H new ATOM 0 HA TYR A 33 7.918 9.117 -8.583 1.00 51.32 H new ATOM 0 HB2 TYR A 33 5.003 9.896 -8.763 1.00 14.31 H new ATOM 0 HB3 TYR A 33 6.248 11.107 -8.995 1.00 14.31 H new ATOM 0 HD1 TYR A 33 7.944 10.780 -10.864 1.00 53.22 H new ATOM 0 HD2 TYR A 33 4.473 8.335 -10.500 1.00 12.01 H new ATOM 0 HE1 TYR A 33 8.192 10.083 -13.205 1.00 54.34 H new ATOM 0 HE2 TYR A 33 4.721 7.632 -12.839 1.00 53.42 H new ATOM 0 HH TYR A 33 7.394 8.860 -14.865 1.00 54.41 H new ATOM 523 N ASN A 34 8.446 10.313 -6.493 1.00 23.54 N ATOM 524 CA ASN A 34 8.799 11.089 -5.309 1.00 63.14 C ATOM 525 C ASN A 34 8.663 12.585 -5.580 1.00 22.12 C ATOM 526 O ASN A 34 8.477 13.004 -6.721 1.00 54.43 O ATOM 527 CB ASN A 34 10.229 10.768 -4.870 1.00 15.34 C ATOM 528 CG ASN A 34 10.579 9.305 -5.068 1.00 10.25 C ATOM 529 OD1 ASN A 34 9.743 8.423 -4.872 1.00 3.34 O ATOM 530 ND2 ASN A 34 11.820 9.042 -5.458 1.00 60.12 N ATOM 0 H ASN A 34 9.245 9.947 -7.011 1.00 23.54 H new ATOM 0 HA ASN A 34 8.111 10.817 -4.509 1.00 63.14 H new ATOM 0 HB2 ASN A 34 10.927 11.386 -5.435 1.00 15.34 H new ATOM 0 HB3 ASN A 34 10.351 11.029 -3.819 1.00 15.34 H new ATOM 0 HD21 ASN A 34 12.114 8.077 -5.607 1.00 60.12 H new ATOM 0 HD22 ASN A 34 12.480 9.805 -5.609 1.00 60.12 H new ATOM 537 N GLN A 35 8.757 13.383 -4.521 1.00 51.22 N ATOM 538 CA GLN A 35 8.645 14.832 -4.645 1.00 2.35 C ATOM 539 C GLN A 35 9.754 15.391 -5.530 1.00 75.31 C ATOM 540 O GLN A 35 10.896 14.934 -5.473 1.00 64.11 O ATOM 541 CB GLN A 35 8.698 15.488 -3.265 1.00 4.03 C ATOM 542 CG GLN A 35 10.101 15.580 -2.688 1.00 24.32 C ATOM 543 CD GLN A 35 10.750 14.222 -2.512 1.00 75.24 C ATOM 544 OE1 GLN A 35 11.872 13.994 -2.965 1.00 62.32 O ATOM 545 NE2 GLN A 35 10.047 13.309 -1.853 1.00 4.34 N ATOM 0 H GLN A 35 8.910 13.051 -3.569 1.00 51.22 H new ATOM 0 HA GLN A 35 7.686 15.058 -5.111 1.00 2.35 H new ATOM 0 HB2 GLN A 35 8.275 16.491 -3.332 1.00 4.03 H new ATOM 0 HB3 GLN A 35 8.068 14.922 -2.579 1.00 4.03 H new ATOM 0 HG2 GLN A 35 10.720 16.192 -3.344 1.00 24.32 H new ATOM 0 HG3 GLN A 35 10.061 16.087 -1.724 1.00 24.32 H new ATOM 0 HE21 GLN A 35 9.121 13.540 -1.494 1.00 4.34 H new ATOM 0 HE22 GLN A 35 10.433 12.377 -1.705 1.00 4.34 H new ATOM 554 N GLY A 36 9.411 16.381 -6.347 1.00 54.21 N ATOM 555 CA GLY A 36 10.390 16.985 -7.233 1.00 1.43 C ATOM 556 C GLY A 36 10.407 16.339 -8.604 1.00 43.30 C ATOM 557 O GLY A 36 10.829 16.957 -9.582 1.00 55.30 O ATOM 0 H GLY A 36 8.473 16.776 -6.412 1.00 54.21 H new ATOM 0 HA2 GLY A 36 10.173 18.048 -7.338 1.00 1.43 H new ATOM 0 HA3 GLY A 36 11.380 16.904 -6.784 1.00 1.43 H new ATOM 561 N ASP A 37 9.950 15.095 -8.676 1.00 1.21 N ATOM 562 CA ASP A 37 9.915 14.364 -9.938 1.00 51.21 C ATOM 563 C ASP A 37 9.129 15.138 -10.993 1.00 62.30 C ATOM 564 O ASP A 37 8.014 15.592 -10.740 1.00 2.32 O ATOM 565 CB ASP A 37 9.294 12.981 -9.735 1.00 3.10 C ATOM 566 CG ASP A 37 10.220 12.033 -8.998 1.00 45.33 C ATOM 567 OD1 ASP A 37 10.711 12.408 -7.914 1.00 4.32 O ATOM 568 OD2 ASP A 37 10.453 10.917 -9.508 1.00 64.10 O ATOM 0 H ASP A 37 9.598 14.570 -7.875 1.00 1.21 H new ATOM 0 HA ASP A 37 10.940 14.245 -10.288 1.00 51.21 H new ATOM 0 HB2 ASP A 37 8.363 13.082 -9.177 1.00 3.10 H new ATOM 0 HB3 ASP A 37 9.039 12.554 -10.705 1.00 3.10 H new ATOM 573 N ILE A 38 9.721 15.286 -12.173 1.00 54.35 N ATOM 574 CA ILE A 38 9.077 16.005 -13.266 1.00 2.34 C ATOM 575 C ILE A 38 8.960 15.128 -14.508 1.00 64.13 C ATOM 576 O ILE A 38 9.898 14.419 -14.871 1.00 0.14 O ATOM 577 CB ILE A 38 9.848 17.288 -13.628 1.00 34.44 C ATOM 578 CG1 ILE A 38 9.928 18.219 -12.416 1.00 62.12 C ATOM 579 CG2 ILE A 38 9.184 17.992 -14.801 1.00 60.45 C ATOM 580 CD1 ILE A 38 11.344 18.513 -11.972 1.00 51.15 C ATOM 0 H ILE A 38 10.645 14.918 -12.397 1.00 54.35 H new ATOM 0 HA ILE A 38 8.079 16.276 -12.920 1.00 2.34 H new ATOM 0 HB ILE A 38 10.862 17.015 -13.921 1.00 34.44 H new ATOM 0 HG12 ILE A 38 9.429 19.158 -12.656 1.00 62.12 H new ATOM 0 HG13 ILE A 38 9.382 17.770 -11.587 1.00 62.12 H new ATOM 0 HG21 ILE A 38 9.741 18.897 -15.045 1.00 60.45 H new ATOM 0 HG22 ILE A 38 9.174 17.328 -15.665 1.00 60.45 H new ATOM 0 HG23 ILE A 38 8.161 18.256 -14.535 1.00 60.45 H new ATOM 0 HD11 ILE A 38 11.324 19.179 -11.109 1.00 51.15 H new ATOM 0 HD12 ILE A 38 11.841 17.582 -11.701 1.00 51.15 H new ATOM 0 HD13 ILE A 38 11.889 18.991 -12.786 1.00 51.15 H new ATOM 592 N VAL A 39 7.801 15.182 -15.157 1.00 62.44 N ATOM 593 CA VAL A 39 7.561 14.396 -16.361 1.00 23.44 C ATOM 594 C VAL A 39 6.760 15.190 -17.386 1.00 73.43 C ATOM 595 O VAL A 39 6.123 16.188 -17.052 1.00 71.52 O ATOM 596 CB VAL A 39 6.810 13.091 -16.038 1.00 34.23 C ATOM 597 CG1 VAL A 39 7.489 12.352 -14.895 1.00 1.33 C ATOM 598 CG2 VAL A 39 5.354 13.383 -15.705 1.00 60.52 C ATOM 0 H VAL A 39 7.013 15.762 -14.869 1.00 62.44 H new ATOM 0 HA VAL A 39 8.538 14.151 -16.779 1.00 23.44 H new ATOM 0 HB VAL A 39 6.836 12.450 -16.919 1.00 34.23 H new ATOM 0 HG11 VAL A 39 6.944 11.433 -14.681 1.00 1.33 H new ATOM 0 HG12 VAL A 39 8.514 12.109 -15.176 1.00 1.33 H new ATOM 0 HG13 VAL A 39 7.497 12.984 -14.007 1.00 1.33 H new ATOM 0 HG21 VAL A 39 4.838 12.450 -15.479 1.00 60.52 H new ATOM 0 HG22 VAL A 39 5.304 14.044 -14.839 1.00 60.52 H new ATOM 0 HG23 VAL A 39 4.875 13.865 -16.557 1.00 60.52 H new ATOM 608 N GLU A 40 6.798 14.740 -18.636 1.00 13.23 N ATOM 609 CA GLU A 40 6.075 15.410 -19.711 1.00 15.03 C ATOM 610 C GLU A 40 4.830 14.619 -20.104 1.00 62.34 C ATOM 611 O GLU A 40 4.925 13.552 -20.709 1.00 1.31 O ATOM 612 CB GLU A 40 6.982 15.593 -20.929 1.00 33.13 C ATOM 613 CG GLU A 40 6.251 16.095 -22.163 1.00 25.11 C ATOM 614 CD GLU A 40 5.720 14.967 -23.026 1.00 60.30 C ATOM 615 OE1 GLU A 40 6.516 14.083 -23.404 1.00 73.42 O ATOM 616 OE2 GLU A 40 4.507 14.968 -23.322 1.00 44.30 O ATOM 0 H GLU A 40 7.321 13.915 -18.929 1.00 13.23 H new ATOM 0 HA GLU A 40 5.763 16.390 -19.349 1.00 15.03 H new ATOM 0 HB2 GLU A 40 7.777 16.295 -20.677 1.00 33.13 H new ATOM 0 HB3 GLU A 40 7.459 14.641 -21.162 1.00 33.13 H new ATOM 0 HG2 GLU A 40 5.422 16.733 -21.855 1.00 25.11 H new ATOM 0 HG3 GLU A 40 6.927 16.713 -22.755 1.00 25.11 H new ATOM 623 N TYR A 41 3.664 15.152 -19.755 1.00 63.22 N ATOM 624 CA TYR A 41 2.400 14.496 -20.068 1.00 43.43 C ATOM 625 C TYR A 41 1.500 15.413 -20.892 1.00 3.11 C ATOM 626 O TYR A 41 1.222 16.545 -20.498 1.00 72.30 O ATOM 627 CB TYR A 41 1.684 14.082 -18.782 1.00 73.01 C ATOM 628 CG TYR A 41 0.256 13.637 -19.001 1.00 0.42 C ATOM 629 CD1 TYR A 41 -0.775 14.565 -19.093 1.00 64.11 C ATOM 630 CD2 TYR A 41 -0.065 12.290 -19.114 1.00 32.55 C ATOM 631 CE1 TYR A 41 -2.082 14.164 -19.292 1.00 74.45 C ATOM 632 CE2 TYR A 41 -1.368 11.880 -19.313 1.00 54.52 C ATOM 633 CZ TYR A 41 -2.373 12.821 -19.402 1.00 51.22 C ATOM 634 OH TYR A 41 -3.673 12.416 -19.600 1.00 53.51 O ATOM 0 H TYR A 41 3.568 16.036 -19.255 1.00 63.22 H new ATOM 0 HA TYR A 41 2.618 13.605 -20.657 1.00 43.43 H new ATOM 0 HB2 TYR A 41 2.240 13.271 -18.311 1.00 73.01 H new ATOM 0 HB3 TYR A 41 1.692 14.920 -18.086 1.00 73.01 H new ATOM 0 HD1 TYR A 41 -0.550 15.618 -19.007 1.00 64.11 H new ATOM 0 HD2 TYR A 41 0.719 11.550 -19.045 1.00 32.55 H new ATOM 0 HE1 TYR A 41 -2.871 14.898 -19.361 1.00 74.45 H new ATOM 0 HE2 TYR A 41 -1.599 10.829 -19.399 1.00 54.52 H new ATOM 0 HH TYR A 41 -3.706 11.438 -19.657 1.00 53.51 H new ATOM 644 N ASN A 42 1.047 14.913 -22.037 1.00 44.54 N ATOM 645 CA ASN A 42 0.178 15.686 -22.917 1.00 42.13 C ATOM 646 C ASN A 42 0.837 17.004 -23.314 1.00 33.33 C ATOM 647 O ASN A 42 0.161 18.005 -23.543 1.00 50.21 O ATOM 648 CB ASN A 42 -1.163 15.960 -22.232 1.00 41.20 C ATOM 649 CG ASN A 42 -2.206 16.494 -23.195 1.00 74.14 C ATOM 650 OD1 ASN A 42 -1.939 16.663 -24.385 1.00 11.31 O ATOM 651 ND2 ASN A 42 -3.400 16.764 -22.683 1.00 53.44 N ATOM 0 H ASN A 42 1.267 13.977 -22.377 1.00 44.54 H new ATOM 0 HA ASN A 42 0.005 15.101 -23.820 1.00 42.13 H new ATOM 0 HB2 ASN A 42 -1.530 15.040 -21.777 1.00 41.20 H new ATOM 0 HB3 ASN A 42 -1.016 16.678 -21.425 1.00 41.20 H new ATOM 0 HD21 ASN A 42 -4.141 17.127 -23.282 1.00 53.44 H new ATOM 0 HD22 ASN A 42 -3.576 16.608 -21.691 1.00 53.44 H new ATOM 658 N GLY A 43 2.165 16.995 -23.391 1.00 53.13 N ATOM 659 CA GLY A 43 2.894 18.194 -23.760 1.00 60.12 C ATOM 660 C GLY A 43 3.002 19.183 -22.615 1.00 74.44 C ATOM 661 O GLY A 43 3.320 20.354 -22.824 1.00 74.32 O ATOM 0 H GLY A 43 2.748 16.179 -23.204 1.00 53.13 H new ATOM 0 HA2 GLY A 43 3.894 17.919 -24.094 1.00 60.12 H new ATOM 0 HA3 GLY A 43 2.397 18.673 -24.604 1.00 60.12 H new ATOM 665 N LYS A 44 2.735 18.712 -21.403 1.00 30.23 N ATOM 666 CA LYS A 44 2.803 19.561 -20.219 1.00 1.30 C ATOM 667 C LYS A 44 3.828 19.028 -19.225 1.00 61.41 C ATOM 668 O LYS A 44 4.001 17.817 -19.085 1.00 31.55 O ATOM 669 CB LYS A 44 1.429 19.651 -19.551 1.00 42.21 C ATOM 670 CG LYS A 44 0.542 20.741 -20.128 1.00 64.32 C ATOM 671 CD LYS A 44 -0.919 20.328 -20.133 1.00 12.34 C ATOM 672 CE LYS A 44 -1.614 20.749 -21.419 1.00 20.04 C ATOM 673 NZ LYS A 44 -1.809 19.599 -22.345 1.00 60.33 N ATOM 0 H LYS A 44 2.469 17.746 -21.214 1.00 30.23 H new ATOM 0 HA LYS A 44 3.113 20.557 -20.535 1.00 1.30 H new ATOM 0 HB2 LYS A 44 0.922 18.691 -19.651 1.00 42.21 H new ATOM 0 HB3 LYS A 44 1.564 19.831 -18.484 1.00 42.21 H new ATOM 0 HG2 LYS A 44 0.661 21.654 -19.545 1.00 64.32 H new ATOM 0 HG3 LYS A 44 0.860 20.969 -21.145 1.00 64.32 H new ATOM 0 HD2 LYS A 44 -0.993 19.247 -20.016 1.00 12.34 H new ATOM 0 HD3 LYS A 44 -1.428 20.777 -19.280 1.00 12.34 H new ATOM 0 HE2 LYS A 44 -2.581 21.192 -21.181 1.00 20.04 H new ATOM 0 HE3 LYS A 44 -1.024 21.519 -21.916 1.00 20.04 H new ATOM 0 HZ1 LYS A 44 -2.403 19.895 -23.146 1.00 60.33 H new ATOM 0 HZ2 LYS A 44 -0.885 19.278 -22.699 1.00 60.33 H new ATOM 0 HZ3 LYS A 44 -2.276 18.820 -21.838 1.00 60.33 H new ATOM 687 N LEU A 45 4.506 19.940 -18.535 1.00 54.11 N ATOM 688 CA LEU A 45 5.514 19.560 -17.551 1.00 72.45 C ATOM 689 C LEU A 45 4.989 19.748 -16.132 1.00 53.24 C ATOM 690 O LEU A 45 4.779 20.874 -15.681 1.00 70.04 O ATOM 691 CB LEU A 45 6.786 20.389 -17.750 1.00 12.23 C ATOM 692 CG LEU A 45 7.803 19.828 -18.745 1.00 44.30 C ATOM 693 CD1 LEU A 45 9.001 20.758 -18.864 1.00 73.10 C ATOM 694 CD2 LEU A 45 8.246 18.435 -18.325 1.00 74.22 C ATOM 0 H LEU A 45 4.376 20.946 -18.639 1.00 54.11 H new ATOM 0 HA LEU A 45 5.747 18.505 -17.695 1.00 72.45 H new ATOM 0 HB2 LEU A 45 6.498 21.387 -18.080 1.00 12.23 H new ATOM 0 HB3 LEU A 45 7.277 20.502 -16.784 1.00 12.23 H new ATOM 0 HG LEU A 45 7.326 19.756 -19.723 1.00 44.30 H new ATOM 0 HD11 LEU A 45 9.714 20.343 -19.576 1.00 73.10 H new ATOM 0 HD12 LEU A 45 8.669 21.736 -19.211 1.00 73.10 H new ATOM 0 HD13 LEU A 45 9.479 20.862 -17.890 1.00 73.10 H new ATOM 0 HD21 LEU A 45 8.970 18.051 -19.044 1.00 74.22 H new ATOM 0 HD22 LEU A 45 8.705 18.482 -17.338 1.00 74.22 H new ATOM 0 HD23 LEU A 45 7.381 17.773 -18.292 1.00 74.22 H new ATOM 706 N TYR A 46 4.780 18.639 -15.433 1.00 34.25 N ATOM 707 CA TYR A 46 4.278 18.680 -14.064 1.00 33.22 C ATOM 708 C TYR A 46 5.348 18.220 -13.078 1.00 25.01 C ATOM 709 O TYR A 46 6.269 17.486 -13.439 1.00 45.13 O ATOM 710 CB TYR A 46 3.032 17.803 -13.929 1.00 31.52 C ATOM 711 CG TYR A 46 1.886 18.239 -14.812 1.00 63.10 C ATOM 712 CD1 TYR A 46 1.059 19.294 -14.442 1.00 75.13 C ATOM 713 CD2 TYR A 46 1.629 17.598 -16.017 1.00 50.10 C ATOM 714 CE1 TYR A 46 0.011 19.695 -15.245 1.00 51.34 C ATOM 715 CE2 TYR A 46 0.583 17.993 -16.829 1.00 64.20 C ATOM 716 CZ TYR A 46 -0.224 19.043 -16.438 1.00 33.42 C ATOM 717 OH TYR A 46 -1.267 19.440 -17.242 1.00 34.14 O ATOM 0 H TYR A 46 4.950 17.699 -15.791 1.00 34.25 H new ATOM 0 HA TYR A 46 4.014 19.712 -13.831 1.00 33.22 H new ATOM 0 HB2 TYR A 46 3.295 16.773 -14.171 1.00 31.52 H new ATOM 0 HB3 TYR A 46 2.703 17.812 -12.890 1.00 31.52 H new ATOM 0 HD1 TYR A 46 1.240 19.808 -13.510 1.00 75.13 H new ATOM 0 HD2 TYR A 46 2.258 16.776 -16.325 1.00 50.10 H new ATOM 0 HE1 TYR A 46 -0.622 20.515 -14.941 1.00 51.34 H new ATOM 0 HE2 TYR A 46 0.398 17.484 -17.763 1.00 64.20 H new ATOM 0 HH TYR A 46 -1.427 20.399 -17.120 1.00 34.14 H new ATOM 727 N LYS A 47 5.218 18.657 -11.829 1.00 55.14 N ATOM 728 CA LYS A 47 6.171 18.291 -10.788 1.00 32.22 C ATOM 729 C LYS A 47 5.447 17.824 -9.529 1.00 71.54 C ATOM 730 O LYS A 47 4.687 18.578 -8.923 1.00 54.53 O ATOM 731 CB LYS A 47 7.079 19.478 -10.457 1.00 55.41 C ATOM 732 CG LYS A 47 7.952 19.254 -9.235 1.00 74.21 C ATOM 733 CD LYS A 47 9.292 19.959 -9.371 1.00 12.33 C ATOM 734 CE LYS A 47 9.336 21.233 -8.542 1.00 31.52 C ATOM 735 NZ LYS A 47 9.889 20.990 -7.180 1.00 52.11 N ATOM 0 H LYS A 47 4.462 19.265 -11.514 1.00 55.14 H new ATOM 0 HA LYS A 47 6.781 17.469 -11.162 1.00 32.22 H new ATOM 0 HB2 LYS A 47 7.717 19.687 -11.316 1.00 55.41 H new ATOM 0 HB3 LYS A 47 6.462 20.362 -10.295 1.00 55.41 H new ATOM 0 HG2 LYS A 47 7.436 19.618 -8.346 1.00 74.21 H new ATOM 0 HG3 LYS A 47 8.114 18.186 -9.093 1.00 74.21 H new ATOM 0 HD2 LYS A 47 10.091 19.289 -9.054 1.00 12.33 H new ATOM 0 HD3 LYS A 47 9.474 20.198 -10.419 1.00 12.33 H new ATOM 0 HE2 LYS A 47 9.945 21.978 -9.054 1.00 31.52 H new ATOM 0 HE3 LYS A 47 8.331 21.646 -8.457 1.00 31.52 H new ATOM 0 HZ1 LYS A 47 9.902 21.883 -6.646 1.00 52.11 H new ATOM 0 HZ2 LYS A 47 9.294 20.298 -6.682 1.00 52.11 H new ATOM 0 HZ3 LYS A 47 10.858 20.620 -7.260 1.00 52.11 H new ATOM 749 N ALA A 48 5.691 16.576 -9.140 1.00 4.33 N ATOM 750 CA ALA A 48 5.065 16.011 -7.952 1.00 4.14 C ATOM 751 C ALA A 48 5.474 16.778 -6.698 1.00 44.23 C ATOM 752 O ALA A 48 6.645 16.792 -6.319 1.00 11.43 O ATOM 753 CB ALA A 48 5.428 14.540 -7.813 1.00 22.01 C ATOM 0 H ALA A 48 6.318 15.938 -9.631 1.00 4.33 H new ATOM 0 HA ALA A 48 3.984 16.099 -8.065 1.00 4.14 H new ATOM 0 HB1 ALA A 48 4.953 14.131 -6.921 1.00 22.01 H new ATOM 0 HB2 ALA A 48 5.081 13.995 -8.691 1.00 22.01 H new ATOM 0 HB3 ALA A 48 6.510 14.439 -7.727 1.00 22.01 H new ATOM 759 N LYS A 49 4.501 17.419 -6.059 1.00 4.23 N ATOM 760 CA LYS A 49 4.757 18.190 -4.848 1.00 33.51 C ATOM 761 C LYS A 49 5.334 17.301 -3.750 1.00 4.42 C ATOM 762 O LYS A 49 6.335 17.644 -3.122 1.00 51.15 O ATOM 763 CB LYS A 49 3.469 18.853 -4.358 1.00 44.02 C ATOM 764 CG LYS A 49 2.678 19.535 -5.461 1.00 11.32 C ATOM 765 CD LYS A 49 1.699 20.552 -4.900 1.00 62.45 C ATOM 766 CE LYS A 49 1.683 21.827 -5.730 1.00 34.31 C ATOM 767 NZ LYS A 49 1.067 22.963 -4.990 1.00 32.51 N ATOM 0 H LYS A 49 3.527 17.420 -6.360 1.00 4.23 H new ATOM 0 HA LYS A 49 5.487 18.963 -5.087 1.00 33.51 H new ATOM 0 HB2 LYS A 49 2.840 18.099 -3.884 1.00 44.02 H new ATOM 0 HB3 LYS A 49 3.717 19.588 -3.593 1.00 44.02 H new ATOM 0 HG2 LYS A 49 3.364 20.030 -6.149 1.00 11.32 H new ATOM 0 HG3 LYS A 49 2.135 18.786 -6.037 1.00 11.32 H new ATOM 0 HD2 LYS A 49 0.698 20.120 -4.875 1.00 62.45 H new ATOM 0 HD3 LYS A 49 1.969 20.790 -3.871 1.00 62.45 H new ATOM 0 HE2 LYS A 49 2.702 22.089 -6.014 1.00 34.31 H new ATOM 0 HE3 LYS A 49 1.130 21.653 -6.653 1.00 34.31 H new ATOM 0 HZ1 LYS A 49 1.075 23.813 -5.589 1.00 32.51 H new ATOM 0 HZ2 LYS A 49 0.086 22.724 -4.741 1.00 32.51 H new ATOM 0 HZ3 LYS A 49 1.609 23.147 -4.122 1.00 32.51 H new ATOM 781 N TYR A 50 4.694 16.158 -3.525 1.00 75.53 N ATOM 782 CA TYR A 50 5.143 15.221 -2.502 1.00 41.20 C ATOM 783 C TYR A 50 4.958 13.779 -2.966 1.00 62.30 C ATOM 784 O TYR A 50 4.371 13.524 -4.017 1.00 75.13 O ATOM 785 CB TYR A 50 4.377 15.451 -1.198 1.00 3.04 C ATOM 786 CG TYR A 50 2.950 14.954 -1.238 1.00 74.01 C ATOM 787 CD1 TYR A 50 2.022 15.514 -2.108 1.00 63.52 C ATOM 788 CD2 TYR A 50 2.528 13.924 -0.407 1.00 72.21 C ATOM 789 CE1 TYR A 50 0.717 15.064 -2.148 1.00 24.22 C ATOM 790 CE2 TYR A 50 1.226 13.465 -0.441 1.00 2.24 C ATOM 791 CZ TYR A 50 0.323 14.039 -1.313 1.00 35.30 C ATOM 792 OH TYR A 50 -0.975 13.586 -1.350 1.00 22.24 O ATOM 0 H TYR A 50 3.864 15.859 -4.037 1.00 75.53 H new ATOM 0 HA TYR A 50 6.205 15.394 -2.327 1.00 41.20 H new ATOM 0 HB2 TYR A 50 4.904 14.952 -0.384 1.00 3.04 H new ATOM 0 HB3 TYR A 50 4.375 16.517 -0.971 1.00 3.04 H new ATOM 0 HD1 TYR A 50 2.327 16.315 -2.765 1.00 63.52 H new ATOM 0 HD2 TYR A 50 3.231 13.474 0.278 1.00 72.21 H new ATOM 0 HE1 TYR A 50 0.009 15.512 -2.829 1.00 24.22 H new ATOM 0 HE2 TYR A 50 0.916 12.662 0.211 1.00 2.24 H new ATOM 0 HH TYR A 50 -1.087 12.861 -0.701 1.00 22.24 H new ATOM 802 N TRP A 51 5.463 12.841 -2.172 1.00 74.14 N ATOM 803 CA TRP A 51 5.355 11.423 -2.501 1.00 64.21 C ATOM 804 C TRP A 51 3.918 11.057 -2.858 1.00 31.43 C ATOM 805 O TRP A 51 3.025 11.108 -2.012 1.00 14.15 O ATOM 806 CB TRP A 51 5.836 10.569 -1.326 1.00 53.54 C ATOM 807 CG TRP A 51 6.547 9.320 -1.753 1.00 45.01 C ATOM 808 CD1 TRP A 51 7.803 9.234 -2.283 1.00 11.45 C ATOM 809 CD2 TRP A 51 6.043 7.982 -1.688 1.00 43.13 C ATOM 810 NE1 TRP A 51 8.110 7.921 -2.550 1.00 11.51 N ATOM 811 CE2 TRP A 51 7.047 7.134 -2.194 1.00 4.23 C ATOM 812 CE3 TRP A 51 4.842 7.418 -1.250 1.00 42.31 C ATOM 813 CZ2 TRP A 51 6.884 5.753 -2.274 1.00 22.43 C ATOM 814 CZ3 TRP A 51 4.681 6.048 -1.329 1.00 60.25 C ATOM 815 CH2 TRP A 51 5.697 5.228 -1.837 1.00 74.50 C ATOM 0 H TRP A 51 5.950 13.036 -1.297 1.00 74.14 H new ATOM 0 HA TRP A 51 5.987 11.225 -3.367 1.00 64.21 H new ATOM 0 HB2 TRP A 51 6.504 11.164 -0.703 1.00 53.54 H new ATOM 0 HB3 TRP A 51 4.980 10.298 -0.708 1.00 53.54 H new ATOM 0 HD1 TRP A 51 8.458 10.073 -2.465 1.00 11.45 H new ATOM 0 HE1 TRP A 51 8.987 7.587 -2.949 1.00 11.51 H new ATOM 0 HE3 TRP A 51 4.053 8.042 -0.857 1.00 42.31 H new ATOM 0 HZ2 TRP A 51 7.665 5.119 -2.666 1.00 22.43 H new ATOM 0 HZ3 TRP A 51 3.756 5.602 -0.994 1.00 60.25 H new ATOM 0 HH2 TRP A 51 5.541 4.160 -1.885 1.00 74.50 H new ATOM 826 N THR A 52 3.702 10.686 -4.116 1.00 72.34 N ATOM 827 CA THR A 52 2.374 10.311 -4.585 1.00 32.24 C ATOM 828 C THR A 52 2.454 9.505 -5.876 1.00 1.12 C ATOM 829 O THR A 52 3.397 9.652 -6.655 1.00 40.30 O ATOM 830 CB THR A 52 1.491 11.551 -4.821 1.00 32.44 C ATOM 831 OG1 THR A 52 1.562 12.426 -3.689 1.00 33.03 O ATOM 832 CG2 THR A 52 0.045 11.147 -5.065 1.00 35.13 C ATOM 0 H THR A 52 4.430 10.637 -4.829 1.00 72.34 H new ATOM 0 HA THR A 52 1.925 9.697 -3.804 1.00 32.24 H new ATOM 0 HB THR A 52 1.861 12.070 -5.705 1.00 32.44 H new ATOM 0 HG1 THR A 52 1.765 11.904 -2.885 1.00 33.03 H new ATOM 0 HG21 THR A 52 -0.559 12.039 -5.229 1.00 35.13 H new ATOM 0 HG22 THR A 52 -0.010 10.505 -5.944 1.00 35.13 H new ATOM 0 HG23 THR A 52 -0.333 10.607 -4.197 1.00 35.13 H new ATOM 840 N THR A 53 1.459 8.652 -6.099 1.00 3.21 N ATOM 841 CA THR A 53 1.416 7.823 -7.296 1.00 73.32 C ATOM 842 C THR A 53 0.073 7.948 -8.006 1.00 25.12 C ATOM 843 O THR A 53 -0.941 7.440 -7.528 1.00 52.23 O ATOM 844 CB THR A 53 1.671 6.340 -6.961 1.00 61.25 C ATOM 845 OG1 THR A 53 0.623 5.841 -6.123 1.00 24.42 O ATOM 846 CG2 THR A 53 3.012 6.166 -6.266 1.00 33.25 C ATOM 0 H THR A 53 0.671 8.518 -5.465 1.00 3.21 H new ATOM 0 HA THR A 53 2.206 8.181 -7.956 1.00 73.32 H new ATOM 0 HB THR A 53 1.688 5.776 -7.894 1.00 61.25 H new ATOM 0 HG1 THR A 53 -0.194 6.361 -6.276 1.00 24.42 H new ATOM 0 HG21 THR A 53 3.170 5.112 -6.039 1.00 33.25 H new ATOM 0 HG22 THR A 53 3.809 6.520 -6.920 1.00 33.25 H new ATOM 0 HG23 THR A 53 3.019 6.741 -5.340 1.00 33.25 H new ATOM 854 N SER A 54 0.073 8.629 -9.147 1.00 34.20 N ATOM 855 CA SER A 54 -1.147 8.823 -9.921 1.00 11.04 C ATOM 856 C SER A 54 -0.881 9.696 -11.143 1.00 40.44 C ATOM 857 O SER A 54 0.028 10.526 -11.160 1.00 21.11 O ATOM 858 CB SER A 54 -2.231 9.461 -9.051 1.00 1.30 C ATOM 859 OG SER A 54 -3.072 10.304 -9.820 1.00 21.40 O ATOM 0 H SER A 54 0.904 9.056 -9.556 1.00 34.20 H new ATOM 0 HA SER A 54 -1.492 7.847 -10.261 1.00 11.04 H new ATOM 0 HB2 SER A 54 -2.827 8.681 -8.578 1.00 1.30 H new ATOM 0 HB3 SER A 54 -1.767 10.037 -8.251 1.00 1.30 H new ATOM 0 HG SER A 54 -3.757 10.698 -9.241 1.00 21.40 H new ATOM 865 N PRO A 55 -1.694 9.506 -12.194 1.00 3.52 N ATOM 866 CA PRO A 55 -1.568 10.266 -13.440 1.00 42.13 C ATOM 867 C PRO A 55 -1.968 11.728 -13.271 1.00 53.44 C ATOM 868 O PRO A 55 -2.800 12.075 -12.432 1.00 50.23 O ATOM 869 CB PRO A 55 -2.534 9.554 -14.390 1.00 12.55 C ATOM 870 CG PRO A 55 -3.540 8.913 -13.496 1.00 45.45 C ATOM 871 CD PRO A 55 -2.799 8.533 -12.244 1.00 43.02 C ATOM 0 HA PRO A 55 -0.539 10.293 -13.798 1.00 42.13 H new ATOM 0 HB2 PRO A 55 -3.005 10.258 -15.076 1.00 12.55 H new ATOM 0 HB3 PRO A 55 -2.016 8.813 -14.999 1.00 12.55 H new ATOM 0 HG2 PRO A 55 -4.357 9.599 -13.273 1.00 45.45 H new ATOM 0 HG3 PRO A 55 -3.981 8.036 -13.970 1.00 45.45 H new ATOM 0 HD2 PRO A 55 -3.436 8.603 -11.363 1.00 43.02 H new ATOM 0 HD3 PRO A 55 -2.431 7.508 -12.290 1.00 43.02 H new ATOM 879 N PRO A 56 -1.364 12.606 -14.085 1.00 74.10 N ATOM 880 CA PRO A 56 -1.643 14.045 -14.046 1.00 34.23 C ATOM 881 C PRO A 56 -3.039 14.379 -14.560 1.00 15.04 C ATOM 882 O PRO A 56 -3.467 13.871 -15.595 1.00 52.24 O ATOM 883 CB PRO A 56 -0.576 14.638 -14.969 1.00 42.40 C ATOM 884 CG PRO A 56 -0.225 13.532 -15.901 1.00 71.15 C ATOM 885 CD PRO A 56 -0.363 12.262 -15.109 1.00 33.42 C ATOM 0 HA PRO A 56 -1.613 14.439 -13.030 1.00 34.23 H new ATOM 0 HB2 PRO A 56 -0.957 15.505 -15.509 1.00 42.40 H new ATOM 0 HB3 PRO A 56 0.295 14.971 -14.405 1.00 42.40 H new ATOM 0 HG2 PRO A 56 -0.888 13.526 -16.766 1.00 71.15 H new ATOM 0 HG3 PRO A 56 0.791 13.648 -16.279 1.00 71.15 H new ATOM 0 HD2 PRO A 56 -0.696 11.433 -15.734 1.00 33.42 H new ATOM 0 HD3 PRO A 56 0.584 11.963 -14.660 1.00 33.42 H new ATOM 893 N SER A 57 -3.745 15.237 -13.829 1.00 34.32 N ATOM 894 CA SER A 57 -5.094 15.636 -14.210 1.00 41.45 C ATOM 895 C SER A 57 -5.686 16.599 -13.185 1.00 34.21 C ATOM 896 O SER A 57 -5.882 17.781 -13.468 1.00 1.42 O ATOM 897 CB SER A 57 -5.993 14.406 -14.350 1.00 62.21 C ATOM 898 OG SER A 57 -7.358 14.751 -14.190 1.00 40.33 O ATOM 0 H SER A 57 -3.404 15.669 -12.970 1.00 34.32 H new ATOM 0 HA SER A 57 -5.037 16.146 -15.172 1.00 41.45 H new ATOM 0 HB2 SER A 57 -5.842 13.951 -15.329 1.00 62.21 H new ATOM 0 HB3 SER A 57 -5.713 13.661 -13.605 1.00 62.21 H new ATOM 0 HG SER A 57 -7.912 13.948 -14.286 1.00 40.33 H new ATOM 904 N ASP A 58 -5.966 16.083 -11.993 1.00 4.43 N ATOM 905 CA ASP A 58 -6.535 16.896 -10.923 1.00 53.15 C ATOM 906 C ASP A 58 -5.907 16.541 -9.579 1.00 53.00 C ATOM 907 O ASP A 58 -6.044 15.416 -9.097 1.00 4.41 O ATOM 908 CB ASP A 58 -8.051 16.705 -10.859 1.00 71.12 C ATOM 909 CG ASP A 58 -8.793 18.017 -10.701 1.00 25.42 C ATOM 910 OD1 ASP A 58 -8.414 19.000 -11.372 1.00 14.00 O ATOM 911 OD2 ASP A 58 -9.755 18.062 -9.906 1.00 13.44 O ATOM 0 H ASP A 58 -5.809 15.107 -11.743 1.00 4.43 H new ATOM 0 HA ASP A 58 -6.318 17.942 -11.140 1.00 53.15 H new ATOM 0 HB2 ASP A 58 -8.390 16.206 -11.767 1.00 71.12 H new ATOM 0 HB3 ASP A 58 -8.297 16.049 -10.024 1.00 71.12 H new ATOM 916 N ASP A 59 -5.218 17.506 -8.980 1.00 0.41 N ATOM 917 CA ASP A 59 -4.570 17.295 -7.691 1.00 70.21 C ATOM 918 C ASP A 59 -5.276 18.082 -6.592 1.00 42.20 C ATOM 919 O ASP A 59 -4.860 19.178 -6.213 1.00 54.42 O ATOM 920 CB ASP A 59 -3.098 17.705 -7.764 1.00 4.01 C ATOM 921 CG ASP A 59 -2.861 18.842 -8.737 1.00 42.15 C ATOM 922 OD1 ASP A 59 -2.694 18.566 -9.943 1.00 2.33 O ATOM 923 OD2 ASP A 59 -2.843 20.010 -8.293 1.00 41.10 O ATOM 0 H ASP A 59 -5.094 18.442 -9.366 1.00 0.41 H new ATOM 0 HA ASP A 59 -4.633 16.234 -7.450 1.00 70.21 H new ATOM 0 HB2 ASP A 59 -2.757 18.003 -6.772 1.00 4.01 H new ATOM 0 HB3 ASP A 59 -2.499 16.845 -8.062 1.00 4.01 H new ATOM 928 N PRO A 60 -6.371 17.513 -6.067 1.00 25.02 N ATOM 929 CA PRO A 60 -7.160 18.145 -5.004 1.00 70.33 C ATOM 930 C PRO A 60 -6.418 18.175 -3.673 1.00 22.30 C ATOM 931 O PRO A 60 -6.830 18.860 -2.737 1.00 64.21 O ATOM 932 CB PRO A 60 -8.400 17.254 -4.905 1.00 11.35 C ATOM 933 CG PRO A 60 -7.953 15.925 -5.410 1.00 44.03 C ATOM 934 CD PRO A 60 -6.925 16.209 -6.469 1.00 51.25 C ATOM 0 HA PRO A 60 -7.385 19.188 -5.228 1.00 70.33 H new ATOM 0 HB2 PRO A 60 -8.758 17.187 -3.878 1.00 11.35 H new ATOM 0 HB3 PRO A 60 -9.221 17.649 -5.504 1.00 11.35 H new ATOM 0 HG2 PRO A 60 -7.529 15.324 -4.605 1.00 44.03 H new ATOM 0 HG3 PRO A 60 -8.791 15.362 -5.821 1.00 44.03 H new ATOM 0 HD2 PRO A 60 -6.155 15.438 -6.499 1.00 51.25 H new ATOM 0 HD3 PRO A 60 -7.372 16.252 -7.462 1.00 51.25 H new ATOM 942 N TYR A 61 -5.321 17.429 -3.594 1.00 40.14 N ATOM 943 CA TYR A 61 -4.523 17.369 -2.375 1.00 51.14 C ATOM 944 C TYR A 61 -3.153 18.007 -2.590 1.00 55.11 C ATOM 945 O TYR A 61 -2.359 18.125 -1.659 1.00 21.30 O ATOM 946 CB TYR A 61 -4.357 15.919 -1.920 1.00 21.24 C ATOM 947 CG TYR A 61 -4.537 14.910 -3.033 1.00 24.31 C ATOM 948 CD1 TYR A 61 -3.527 14.683 -3.959 1.00 51.41 C ATOM 949 CD2 TYR A 61 -5.715 14.185 -3.155 1.00 74.02 C ATOM 950 CE1 TYR A 61 -3.687 13.763 -4.977 1.00 54.53 C ATOM 951 CE2 TYR A 61 -5.884 13.262 -4.169 1.00 73.51 C ATOM 952 CZ TYR A 61 -4.867 13.055 -5.078 1.00 52.51 C ATOM 953 OH TYR A 61 -5.029 12.137 -6.091 1.00 25.13 O ATOM 0 H TYR A 61 -4.964 16.858 -4.360 1.00 40.14 H new ATOM 0 HA TYR A 61 -5.047 17.928 -1.600 1.00 51.14 H new ATOM 0 HB2 TYR A 61 -3.365 15.795 -1.485 1.00 21.24 H new ATOM 0 HB3 TYR A 61 -5.079 15.710 -1.131 1.00 21.24 H new ATOM 0 HD1 TYR A 61 -2.602 15.235 -3.882 1.00 51.41 H new ATOM 0 HD2 TYR A 61 -6.513 14.345 -2.445 1.00 74.02 H new ATOM 0 HE1 TYR A 61 -2.893 13.599 -5.690 1.00 54.53 H new ATOM 0 HE2 TYR A 61 -6.806 12.706 -4.250 1.00 73.51 H new ATOM 0 HH TYR A 61 -5.915 11.724 -6.020 1.00 25.13 H new ATOM 963 N GLY A 62 -2.885 18.415 -3.826 1.00 51.05 N ATOM 964 CA GLY A 62 -1.612 19.036 -4.142 1.00 42.24 C ATOM 965 C GLY A 62 -0.507 18.019 -4.348 1.00 62.05 C ATOM 966 O GLY A 62 0.573 18.139 -3.767 1.00 45.50 O ATOM 0 H GLY A 62 -3.526 18.327 -4.614 1.00 51.05 H new ATOM 0 HA2 GLY A 62 -1.719 19.639 -5.043 1.00 42.24 H new ATOM 0 HA3 GLY A 62 -1.332 19.714 -3.336 1.00 42.24 H new ATOM 970 N SER A 63 -0.775 17.015 -5.176 1.00 31.01 N ATOM 971 CA SER A 63 0.204 15.970 -5.453 1.00 32.23 C ATOM 972 C SER A 63 1.041 16.321 -6.679 1.00 34.02 C ATOM 973 O SER A 63 2.075 15.702 -6.935 1.00 44.13 O ATOM 974 CB SER A 63 -0.499 14.628 -5.668 1.00 31.51 C ATOM 975 OG SER A 63 0.338 13.719 -6.361 1.00 71.30 O ATOM 0 H SER A 63 -1.662 16.903 -5.667 1.00 31.01 H new ATOM 0 HA SER A 63 0.868 15.891 -4.592 1.00 32.23 H new ATOM 0 HB2 SER A 63 -0.783 14.204 -4.705 1.00 31.51 H new ATOM 0 HB3 SER A 63 -1.419 14.782 -6.232 1.00 31.51 H new ATOM 0 HG SER A 63 1.251 14.073 -6.392 1.00 71.30 H new ATOM 981 N TRP A 64 0.588 17.315 -7.432 1.00 41.10 N ATOM 982 CA TRP A 64 1.295 17.749 -8.631 1.00 54.15 C ATOM 983 C TRP A 64 1.331 19.271 -8.722 1.00 74.53 C ATOM 984 O TRP A 64 0.517 19.957 -8.105 1.00 61.15 O ATOM 985 CB TRP A 64 0.629 17.168 -9.879 1.00 2.40 C ATOM 986 CG TRP A 64 1.047 15.759 -10.175 1.00 70.25 C ATOM 987 CD1 TRP A 64 0.321 14.625 -9.953 1.00 51.45 C ATOM 988 CD2 TRP A 64 2.291 15.337 -10.745 1.00 50.53 C ATOM 989 NE1 TRP A 64 1.038 13.522 -10.351 1.00 11.43 N ATOM 990 CE2 TRP A 64 2.249 13.932 -10.841 1.00 13.30 C ATOM 991 CE3 TRP A 64 3.434 16.009 -11.185 1.00 13.40 C ATOM 992 CZ2 TRP A 64 3.307 13.190 -11.358 1.00 72.34 C ATOM 993 CZ3 TRP A 64 4.484 15.270 -11.699 1.00 25.32 C ATOM 994 CH2 TRP A 64 4.415 13.873 -11.782 1.00 51.31 C ATOM 0 H TRP A 64 -0.266 17.836 -7.234 1.00 41.10 H new ATOM 0 HA TRP A 64 2.320 17.383 -8.570 1.00 54.15 H new ATOM 0 HB2 TRP A 64 -0.453 17.199 -9.752 1.00 2.40 H new ATOM 0 HB3 TRP A 64 0.868 17.798 -10.736 1.00 2.40 H new ATOM 0 HD1 TRP A 64 -0.671 14.598 -9.527 1.00 51.45 H new ATOM 0 HE1 TRP A 64 0.720 12.555 -10.291 1.00 11.43 H new ATOM 0 HE3 TRP A 64 3.497 17.086 -11.125 1.00 13.40 H new ATOM 0 HZ2 TRP A 64 3.256 12.113 -11.422 1.00 72.34 H new ATOM 0 HZ3 TRP A 64 5.373 15.779 -12.042 1.00 25.32 H new ATOM 0 HH2 TRP A 64 5.252 13.325 -12.188 1.00 51.31 H new ATOM 1005 N GLU A 65 2.280 19.791 -9.494 1.00 32.21 N ATOM 1006 CA GLU A 65 2.422 21.232 -9.663 1.00 4.52 C ATOM 1007 C GLU A 65 2.890 21.571 -11.075 1.00 62.22 C ATOM 1008 O GLU A 65 4.015 21.251 -11.461 1.00 0.11 O ATOM 1009 CB GLU A 65 3.409 21.795 -8.637 1.00 15.50 C ATOM 1010 CG GLU A 65 3.220 23.276 -8.360 1.00 64.43 C ATOM 1011 CD GLU A 65 4.362 23.869 -7.558 1.00 3.35 C ATOM 1012 OE1 GLU A 65 4.750 23.260 -6.539 1.00 14.44 O ATOM 1013 OE2 GLU A 65 4.867 24.943 -7.948 1.00 23.25 O ATOM 0 H GLU A 65 2.961 19.236 -10.012 1.00 32.21 H new ATOM 0 HA GLU A 65 1.445 21.688 -9.504 1.00 4.52 H new ATOM 0 HB2 GLU A 65 3.304 21.243 -7.703 1.00 15.50 H new ATOM 0 HB3 GLU A 65 4.425 21.627 -8.993 1.00 15.50 H new ATOM 0 HG2 GLU A 65 3.129 23.810 -9.306 1.00 64.43 H new ATOM 0 HG3 GLU A 65 2.285 23.424 -7.819 1.00 64.43 H new ATOM 1020 N TYR A 66 2.021 22.221 -11.841 1.00 0.34 N ATOM 1021 CA TYR A 66 2.344 22.600 -13.211 1.00 41.25 C ATOM 1022 C TYR A 66 3.375 23.725 -13.236 1.00 54.52 C ATOM 1023 O TYR A 66 3.090 24.854 -12.835 1.00 60.21 O ATOM 1024 CB TYR A 66 1.079 23.037 -13.953 1.00 13.02 C ATOM 1025 CG TYR A 66 1.358 23.796 -15.231 1.00 1.10 C ATOM 1026 CD1 TYR A 66 1.487 25.179 -15.225 1.00 43.40 C ATOM 1027 CD2 TYR A 66 1.492 23.131 -16.443 1.00 34.34 C ATOM 1028 CE1 TYR A 66 1.740 25.878 -16.390 1.00 32.33 C ATOM 1029 CE2 TYR A 66 1.748 23.821 -17.611 1.00 53.32 C ATOM 1030 CZ TYR A 66 1.871 25.194 -17.580 1.00 53.12 C ATOM 1031 OH TYR A 66 2.124 25.885 -18.743 1.00 24.31 O ATOM 0 H TYR A 66 1.087 22.496 -11.536 1.00 0.34 H new ATOM 0 HA TYR A 66 2.769 21.730 -13.711 1.00 41.25 H new ATOM 0 HB2 TYR A 66 0.482 22.155 -14.187 1.00 13.02 H new ATOM 0 HB3 TYR A 66 0.478 23.662 -13.293 1.00 13.02 H new ATOM 0 HD1 TYR A 66 1.388 25.717 -14.294 1.00 43.40 H new ATOM 0 HD2 TYR A 66 1.394 22.056 -16.472 1.00 34.34 H new ATOM 0 HE1 TYR A 66 1.835 26.954 -16.368 1.00 32.33 H new ATOM 0 HE2 TYR A 66 1.851 23.288 -18.545 1.00 53.32 H new ATOM 0 HH TYR A 66 1.692 25.429 -19.495 1.00 24.31 H new ATOM 1041 N LEU A 67 4.574 23.407 -13.710 1.00 50.43 N ATOM 1042 CA LEU A 67 5.650 24.390 -13.791 1.00 25.43 C ATOM 1043 C LEU A 67 5.734 24.995 -15.188 1.00 32.24 C ATOM 1044 O LEU A 67 6.340 26.046 -15.385 1.00 51.13 O ATOM 1045 CB LEU A 67 6.986 23.743 -13.421 1.00 64.15 C ATOM 1046 CG LEU A 67 6.960 22.781 -12.232 1.00 52.54 C ATOM 1047 CD1 LEU A 67 8.303 22.083 -12.082 1.00 12.51 C ATOM 1048 CD2 LEU A 67 6.596 23.521 -10.954 1.00 45.20 C ATOM 0 H LEU A 67 4.826 22.477 -14.044 1.00 50.43 H new ATOM 0 HA LEU A 67 5.431 25.190 -13.083 1.00 25.43 H new ATOM 0 HB2 LEU A 67 7.359 23.203 -14.291 1.00 64.15 H new ATOM 0 HB3 LEU A 67 7.703 24.535 -13.206 1.00 64.15 H new ATOM 0 HG LEU A 67 6.198 22.024 -12.418 1.00 52.54 H new ATOM 0 HD11 LEU A 67 8.266 21.402 -11.231 1.00 12.51 H new ATOM 0 HD12 LEU A 67 8.523 21.519 -12.988 1.00 12.51 H new ATOM 0 HD13 LEU A 67 9.083 22.826 -11.919 1.00 12.51 H new ATOM 0 HD21 LEU A 67 6.582 22.820 -10.119 1.00 45.20 H new ATOM 0 HD22 LEU A 67 7.334 24.300 -10.762 1.00 45.20 H new ATOM 0 HD23 LEU A 67 5.611 23.974 -11.064 1.00 45.20 H new ATOM 1060 N GLY A 68 5.118 24.321 -16.156 1.00 64.44 N ATOM 1061 CA GLY A 68 5.134 24.809 -17.523 1.00 73.20 C ATOM 1062 C GLY A 68 4.771 23.731 -18.526 1.00 71.01 C ATOM 1063 O GLY A 68 4.343 22.641 -18.148 1.00 62.40 O ATOM 0 H GLY A 68 4.609 23.448 -16.018 1.00 64.44 H new ATOM 0 HA2 GLY A 68 4.435 25.640 -17.618 1.00 73.20 H new ATOM 0 HA3 GLY A 68 6.125 25.199 -17.755 1.00 73.20 H new ATOM 1067 N GLU A 69 4.942 24.037 -19.808 1.00 60.43 N ATOM 1068 CA GLU A 69 4.627 23.086 -20.868 1.00 44.22 C ATOM 1069 C GLU A 69 5.900 22.566 -21.528 1.00 74.33 C ATOM 1070 O GLU A 69 6.941 23.221 -21.497 1.00 62.34 O ATOM 1071 CB GLU A 69 3.726 23.740 -21.919 1.00 62.35 C ATOM 1072 CG GLU A 69 2.417 23.002 -22.142 1.00 51.33 C ATOM 1073 CD GLU A 69 1.211 23.806 -21.696 1.00 43.31 C ATOM 1074 OE1 GLU A 69 1.190 24.244 -20.527 1.00 12.22 O ATOM 1075 OE2 GLU A 69 0.289 23.997 -22.516 1.00 62.32 O ATOM 0 H GLU A 69 5.296 24.935 -20.138 1.00 60.43 H new ATOM 0 HA GLU A 69 4.100 22.244 -20.420 1.00 44.22 H new ATOM 0 HB2 GLU A 69 3.509 24.763 -21.613 1.00 62.35 H new ATOM 0 HB3 GLU A 69 4.267 23.798 -22.864 1.00 62.35 H new ATOM 0 HG2 GLU A 69 2.316 22.760 -23.200 1.00 51.33 H new ATOM 0 HG3 GLU A 69 2.440 22.057 -21.599 1.00 51.33 H new ATOM 1082 N ALA A 70 5.809 21.381 -22.124 1.00 24.31 N ATOM 1083 CA ALA A 70 6.953 20.771 -22.792 1.00 44.31 C ATOM 1084 C ALA A 70 7.592 21.742 -23.779 1.00 72.13 C ATOM 1085 O ALA A 70 8.807 21.938 -23.770 1.00 0.22 O ATOM 1086 CB ALA A 70 6.529 19.495 -23.503 1.00 11.14 C ATOM 0 H ALA A 70 4.955 20.824 -22.158 1.00 24.31 H new ATOM 0 HA ALA A 70 7.696 20.522 -22.034 1.00 44.31 H new ATOM 0 HB1 ALA A 70 7.392 19.050 -23.997 1.00 11.14 H new ATOM 0 HB2 ALA A 70 6.124 18.791 -22.776 1.00 11.14 H new ATOM 0 HB3 ALA A 70 5.766 19.729 -24.246 1.00 11.14 H new ATOM 1092 N GLU A 71 6.767 22.344 -24.630 1.00 25.14 N ATOM 1093 CA GLU A 71 7.255 23.292 -25.624 1.00 43.42 C ATOM 1094 C GLU A 71 6.717 24.694 -25.349 1.00 34.23 C ATOM 1095 O GLU A 71 5.546 24.995 -25.586 1.00 34.42 O ATOM 1096 CB GLU A 71 6.848 22.845 -27.029 1.00 74.13 C ATOM 1097 CG GLU A 71 7.896 21.991 -27.723 1.00 35.51 C ATOM 1098 CD GLU A 71 8.636 22.744 -28.811 1.00 1.22 C ATOM 1099 OE1 GLU A 71 8.171 22.722 -29.970 1.00 4.41 O ATOM 1100 OE2 GLU A 71 9.680 23.356 -28.504 1.00 62.02 O ATOM 0 H GLU A 71 5.759 22.192 -24.651 1.00 25.14 H new ATOM 0 HA GLU A 71 8.343 23.320 -25.559 1.00 43.42 H new ATOM 0 HB2 GLU A 71 5.916 22.283 -26.967 1.00 74.13 H new ATOM 0 HB3 GLU A 71 6.648 23.727 -27.638 1.00 74.13 H new ATOM 0 HG2 GLU A 71 8.612 21.630 -26.985 1.00 35.51 H new ATOM 0 HG3 GLU A 71 7.416 21.114 -28.156 1.00 35.51 H new ATOM 1107 N PRO A 72 7.591 25.572 -24.836 1.00 44.00 N ATOM 1108 CA PRO A 72 7.227 26.956 -24.517 1.00 52.03 C ATOM 1109 C PRO A 72 6.972 27.791 -25.767 1.00 60.43 C ATOM 1110 O PRO A 72 7.699 27.687 -26.756 1.00 65.04 O ATOM 1111 CB PRO A 72 8.453 27.481 -23.765 1.00 14.34 C ATOM 1112 CG PRO A 72 9.584 26.641 -24.251 1.00 51.12 C ATOM 1113 CD PRO A 72 9.002 25.283 -24.528 1.00 50.30 C ATOM 0 HA PRO A 72 6.302 27.012 -23.944 1.00 52.03 H new ATOM 0 HB2 PRO A 72 8.625 28.537 -23.976 1.00 14.34 H new ATOM 0 HB3 PRO A 72 8.326 27.388 -22.686 1.00 14.34 H new ATOM 0 HG2 PRO A 72 10.027 27.067 -25.151 1.00 51.12 H new ATOM 0 HG3 PRO A 72 10.375 26.581 -23.504 1.00 51.12 H new ATOM 0 HD2 PRO A 72 9.503 24.794 -25.363 1.00 50.30 H new ATOM 0 HD3 PRO A 72 9.098 24.622 -23.667 1.00 50.30 H new ATOM 1121 N THR A 73 5.934 28.621 -25.718 1.00 75.41 N ATOM 1122 CA THR A 73 5.582 29.474 -26.846 1.00 33.34 C ATOM 1123 C THR A 73 6.364 30.781 -26.811 1.00 62.24 C ATOM 1124 O THR A 73 7.264 31.001 -27.622 1.00 53.12 O ATOM 1125 CB THR A 73 4.075 29.790 -26.863 1.00 33.53 C ATOM 1126 OG1 THR A 73 3.777 30.698 -27.928 1.00 51.23 O ATOM 1127 CG2 THR A 73 3.633 30.392 -25.538 1.00 53.00 C ATOM 0 H THR A 73 5.322 28.720 -24.908 1.00 75.41 H new ATOM 0 HA THR A 73 5.840 28.924 -27.751 1.00 33.34 H new ATOM 0 HB THR A 73 3.533 28.857 -27.019 1.00 33.53 H new ATOM 0 HG1 THR A 73 2.817 30.892 -27.933 1.00 51.23 H new ATOM 0 HG21 THR A 73 2.565 30.607 -25.574 1.00 53.00 H new ATOM 0 HG22 THR A 73 3.834 29.686 -24.732 1.00 53.00 H new ATOM 0 HG23 THR A 73 4.183 31.316 -25.357 1.00 53.00 H new TER 1135 THR A 73