USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=23 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 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0748 (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 165:sc= -0.0356 (180deg=-0.0632) USER MOD Single : A 8 ASN : amide:sc= -2.19 K(o=-2.2,f=-0.67) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -0.311 K(o=-0.31,f=-1.2) USER MOD Single : A 14 ASN : amide:sc= -0.13 K(o=-0.13,f=-1.8) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0.094) USER MOD Single : A 22 SER OG : rot 180:sc= 0 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 50:sc= -0.616 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 126:sc= 1.81 USER MOD Single : A 34 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.69) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.42 K(o=-0.42,f=-1.7) 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 52 THR OG1 : rot -156:sc= -0.38 USER MOD Single : A 53 THR OG1 : rot 16:sc= 1.01 USER MOD Single : A 54 SER OG : rot 66:sc= -0.107 USER MOD Single : A 57 SER OG : rot 62:sc= 0.621 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot -74:sc= 0.547 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0269 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 35.378 12.910 2.409 1.00 1.14 N ATOM 2 CA GLY A 1 35.052 13.797 1.307 1.00 53.01 C ATOM 3 C GLY A 1 33.621 14.290 1.364 1.00 43.14 C ATOM 4 O GLY A 1 32.877 13.996 2.299 1.00 4.35 O ATOM 0 H1 GLY A 1 36.182 13.299 2.942 1.00 1.14 H new ATOM 0 H2 GLY A 1 34.555 12.822 3.039 1.00 1.14 H new ATOM 0 H3 GLY A 1 35.631 11.972 2.037 1.00 1.14 H new ATOM 0 HA2 GLY A 1 35.728 14.652 1.320 1.00 53.01 H new ATOM 0 HA3 GLY A 1 35.216 13.275 0.364 1.00 53.01 H new ATOM 8 N PRO A 2 33.216 15.063 0.345 1.00 74.01 N ATOM 9 CA PRO A 2 31.862 15.616 0.260 1.00 45.51 C ATOM 10 C PRO A 2 30.812 14.543 -0.009 1.00 34.25 C ATOM 11 O PRO A 2 31.097 13.528 -0.646 1.00 1.11 O ATOM 12 CB PRO A 2 31.947 16.586 -0.921 1.00 35.13 C ATOM 13 CG PRO A 2 33.062 16.062 -1.761 1.00 24.01 C ATOM 14 CD PRO A 2 34.050 15.454 -0.805 1.00 64.31 C ATOM 0 HA PRO A 2 31.556 16.086 1.195 1.00 45.51 H new ATOM 0 HB2 PRO A 2 31.011 16.614 -1.478 1.00 35.13 H new ATOM 0 HB3 PRO A 2 32.149 17.603 -0.585 1.00 35.13 H new ATOM 0 HG2 PRO A 2 32.699 15.320 -2.472 1.00 24.01 H new ATOM 0 HG3 PRO A 2 33.522 16.861 -2.342 1.00 24.01 H new ATOM 0 HD2 PRO A 2 34.557 14.595 -1.244 1.00 64.31 H new ATOM 0 HD3 PRO A 2 34.822 16.168 -0.517 1.00 64.31 H new ATOM 22 N SER A 3 29.598 14.772 0.482 1.00 55.11 N ATOM 23 CA SER A 3 28.507 13.822 0.298 1.00 44.11 C ATOM 24 C SER A 3 27.333 14.476 -0.425 1.00 34.31 C ATOM 25 O SER A 3 26.918 15.584 -0.084 1.00 32.10 O ATOM 26 CB SER A 3 28.047 13.274 1.650 1.00 12.54 C ATOM 27 OG SER A 3 28.910 13.695 2.692 1.00 2.34 O ATOM 0 H SER A 3 29.345 15.607 1.010 1.00 55.11 H new ATOM 0 HA SER A 3 28.874 12.998 -0.314 1.00 44.11 H new ATOM 0 HB2 SER A 3 27.031 13.612 1.856 1.00 12.54 H new ATOM 0 HB3 SER A 3 28.020 12.185 1.614 1.00 12.54 H new ATOM 0 HG SER A 3 28.593 13.333 3.546 1.00 2.34 H new ATOM 33 N THR A 4 26.802 13.782 -1.427 1.00 34.22 N ATOM 34 CA THR A 4 25.678 14.293 -2.199 1.00 45.42 C ATOM 35 C THR A 4 24.508 13.315 -2.183 1.00 21.34 C ATOM 36 O THR A 4 24.575 12.244 -2.785 1.00 40.44 O ATOM 37 CB THR A 4 26.080 14.571 -3.660 1.00 64.10 C ATOM 38 OG1 THR A 4 27.309 15.304 -3.699 1.00 32.35 O ATOM 39 CG2 THR A 4 24.994 15.356 -4.380 1.00 13.51 C ATOM 0 H THR A 4 27.133 12.864 -1.722 1.00 34.22 H new ATOM 0 HA THR A 4 25.372 15.228 -1.729 1.00 45.42 H new ATOM 0 HB THR A 4 26.211 13.614 -4.165 1.00 64.10 H new ATOM 0 HG1 THR A 4 27.558 15.475 -4.631 1.00 32.35 H new ATOM 0 HG21 THR A 4 25.300 15.540 -5.410 1.00 13.51 H new ATOM 0 HG22 THR A 4 24.067 14.783 -4.374 1.00 13.51 H new ATOM 0 HG23 THR A 4 24.836 16.308 -3.873 1.00 13.51 H new ATOM 47 N SER A 5 23.438 13.691 -1.490 1.00 55.20 N ATOM 48 CA SER A 5 22.254 12.845 -1.393 1.00 71.51 C ATOM 49 C SER A 5 21.241 13.202 -2.476 1.00 41.25 C ATOM 50 O SER A 5 21.127 14.360 -2.877 1.00 70.11 O ATOM 51 CB SER A 5 21.613 12.985 -0.011 1.00 51.24 C ATOM 52 OG SER A 5 20.599 12.014 0.181 1.00 40.53 O ATOM 0 H SER A 5 23.367 14.576 -0.987 1.00 55.20 H new ATOM 0 HA SER A 5 22.564 11.810 -1.538 1.00 71.51 H new ATOM 0 HB2 SER A 5 22.376 12.876 0.760 1.00 51.24 H new ATOM 0 HB3 SER A 5 21.190 13.984 0.098 1.00 51.24 H new ATOM 0 HG SER A 5 20.206 12.123 1.072 1.00 40.53 H new ATOM 58 N MET A 6 20.506 12.198 -2.945 1.00 61.14 N ATOM 59 CA MET A 6 19.501 12.406 -3.980 1.00 72.22 C ATOM 60 C MET A 6 18.204 11.683 -3.632 1.00 22.05 C ATOM 61 O MET A 6 18.222 10.633 -2.990 1.00 21.31 O ATOM 62 CB MET A 6 20.023 11.918 -5.333 1.00 73.23 C ATOM 63 CG MET A 6 18.964 11.903 -6.424 1.00 31.10 C ATOM 64 SD MET A 6 19.672 11.975 -8.080 1.00 33.10 S ATOM 65 CE MET A 6 19.622 10.246 -8.544 1.00 54.21 C ATOM 0 H MET A 6 20.588 11.233 -2.624 1.00 61.14 H new ATOM 0 HA MET A 6 19.295 13.475 -4.042 1.00 72.22 H new ATOM 0 HB2 MET A 6 20.848 12.558 -5.647 1.00 73.23 H new ATOM 0 HB3 MET A 6 20.427 10.912 -5.216 1.00 73.23 H new ATOM 0 HG2 MET A 6 18.363 10.999 -6.329 1.00 31.10 H new ATOM 0 HG3 MET A 6 18.291 12.749 -6.284 1.00 31.10 H new ATOM 0 HE1 MET A 6 19.771 10.154 -9.620 1.00 54.21 H new ATOM 0 HE2 MET A 6 20.411 9.706 -8.021 1.00 54.21 H new ATOM 0 HE3 MET A 6 18.653 9.825 -8.274 1.00 54.21 H new ATOM 75 N GLU A 7 17.081 12.252 -4.059 1.00 65.52 N ATOM 76 CA GLU A 7 15.775 11.661 -3.790 1.00 33.51 C ATOM 77 C GLU A 7 14.866 11.772 -5.010 1.00 11.32 C ATOM 78 O GLU A 7 13.665 11.518 -4.928 1.00 24.44 O ATOM 79 CB GLU A 7 15.120 12.344 -2.588 1.00 60.30 C ATOM 80 CG GLU A 7 15.257 11.560 -1.293 1.00 40.01 C ATOM 81 CD GLU A 7 14.254 11.992 -0.241 1.00 12.11 C ATOM 82 OE1 GLU A 7 13.989 13.207 -0.136 1.00 4.33 O ATOM 83 OE2 GLU A 7 13.734 11.112 0.478 1.00 21.32 O ATOM 0 H GLU A 7 17.049 13.121 -4.592 1.00 65.52 H new ATOM 0 HA GLU A 7 15.922 10.605 -3.563 1.00 33.51 H new ATOM 0 HB2 GLU A 7 15.564 13.330 -2.455 1.00 60.30 H new ATOM 0 HB3 GLU A 7 14.062 12.497 -2.800 1.00 60.30 H new ATOM 0 HG2 GLU A 7 15.126 10.498 -1.500 1.00 40.01 H new ATOM 0 HG3 GLU A 7 16.266 11.686 -0.901 1.00 40.01 H new ATOM 90 N ASN A 8 15.448 12.154 -6.142 1.00 42.04 N ATOM 91 CA ASN A 8 14.691 12.300 -7.380 1.00 31.45 C ATOM 92 C ASN A 8 15.460 11.715 -8.560 1.00 53.10 C ATOM 93 O ASN A 8 16.183 12.426 -9.259 1.00 21.40 O ATOM 94 CB ASN A 8 14.379 13.775 -7.640 1.00 73.53 C ATOM 95 CG ASN A 8 14.207 14.565 -6.357 1.00 73.12 C ATOM 96 OD1 ASN A 8 14.933 15.526 -6.104 1.00 75.13 O ATOM 97 ND2 ASN A 8 13.240 14.162 -5.540 1.00 74.23 N ATOM 0 H ASN A 8 16.442 12.368 -6.228 1.00 42.04 H new ATOM 0 HA ASN A 8 13.755 11.751 -7.272 1.00 31.45 H new ATOM 0 HB2 ASN A 8 15.183 14.215 -8.229 1.00 73.53 H new ATOM 0 HB3 ASN A 8 13.469 13.852 -8.235 1.00 73.53 H new ATOM 0 HD21 ASN A 8 13.075 14.655 -4.662 1.00 74.23 H new ATOM 0 HD22 ASN A 8 12.662 13.360 -5.790 1.00 74.23 H new ATOM 104 N LEU A 9 15.299 10.413 -8.778 1.00 64.44 N ATOM 105 CA LEU A 9 15.978 9.732 -9.874 1.00 41.32 C ATOM 106 C LEU A 9 15.125 9.754 -11.139 1.00 12.40 C ATOM 107 O LEU A 9 15.399 9.030 -12.097 1.00 20.15 O ATOM 108 CB LEU A 9 16.295 8.288 -9.484 1.00 14.44 C ATOM 109 CG LEU A 9 15.099 7.420 -9.089 1.00 10.30 C ATOM 110 CD1 LEU A 9 15.181 6.059 -9.762 1.00 0.02 C ATOM 111 CD2 LEU A 9 15.027 7.267 -7.577 1.00 2.44 C ATOM 0 H LEU A 9 14.704 9.809 -8.210 1.00 64.44 H new ATOM 0 HA LEU A 9 16.910 10.260 -10.077 1.00 41.32 H new ATOM 0 HB2 LEU A 9 16.804 7.810 -10.321 1.00 14.44 H new ATOM 0 HB3 LEU A 9 16.998 8.304 -8.651 1.00 14.44 H new ATOM 0 HG LEU A 9 14.188 7.915 -9.427 1.00 10.30 H new ATOM 0 HD11 LEU A 9 14.322 5.456 -9.469 1.00 0.02 H new ATOM 0 HD12 LEU A 9 15.182 6.188 -10.844 1.00 0.02 H new ATOM 0 HD13 LEU A 9 16.098 5.556 -9.456 1.00 0.02 H new ATOM 0 HD21 LEU A 9 14.170 6.647 -7.314 1.00 2.44 H new ATOM 0 HD22 LEU A 9 15.941 6.796 -7.215 1.00 2.44 H new ATOM 0 HD23 LEU A 9 14.918 8.249 -7.117 1.00 2.44 H new ATOM 123 N VAL A 10 14.092 10.590 -11.136 1.00 74.22 N ATOM 124 CA VAL A 10 13.202 10.709 -12.285 1.00 25.33 C ATOM 125 C VAL A 10 13.991 10.917 -13.572 1.00 43.32 C ATOM 126 O VAL A 10 13.565 10.498 -14.648 1.00 1.21 O ATOM 127 CB VAL A 10 12.211 11.874 -12.108 1.00 3.34 C ATOM 128 CG1 VAL A 10 12.956 13.192 -11.963 1.00 4.34 C ATOM 129 CG2 VAL A 10 11.238 11.928 -13.277 1.00 30.53 C ATOM 0 H VAL A 10 13.851 11.195 -10.351 1.00 74.22 H new ATOM 0 HA VAL A 10 12.644 9.775 -12.352 1.00 25.33 H new ATOM 0 HB VAL A 10 11.639 11.706 -11.196 1.00 3.34 H new ATOM 0 HG11 VAL A 10 12.239 14.004 -11.839 1.00 4.34 H new ATOM 0 HG12 VAL A 10 13.608 13.147 -11.091 1.00 4.34 H new ATOM 0 HG13 VAL A 10 13.556 13.371 -12.855 1.00 4.34 H new ATOM 0 HG21 VAL A 10 10.545 12.757 -13.135 1.00 30.53 H new ATOM 0 HG22 VAL A 10 11.792 12.072 -14.205 1.00 30.53 H new ATOM 0 HG23 VAL A 10 10.680 10.993 -13.329 1.00 30.53 H new ATOM 139 N SER A 11 15.143 11.569 -13.455 1.00 74.32 N ATOM 140 CA SER A 11 15.991 11.837 -14.611 1.00 63.23 C ATOM 141 C SER A 11 16.357 10.541 -15.328 1.00 40.34 C ATOM 142 O SER A 11 16.365 10.480 -16.558 1.00 71.14 O ATOM 143 CB SER A 11 17.262 12.570 -14.178 1.00 42.21 C ATOM 144 OG SER A 11 16.954 13.687 -13.362 1.00 2.10 O ATOM 0 H SER A 11 15.511 11.922 -12.571 1.00 74.32 H new ATOM 0 HA SER A 11 15.433 12.469 -15.302 1.00 63.23 H new ATOM 0 HB2 SER A 11 17.912 11.886 -13.633 1.00 42.21 H new ATOM 0 HB3 SER A 11 17.813 12.900 -15.059 1.00 42.21 H new ATOM 0 HG SER A 11 17.783 14.137 -13.097 1.00 2.10 H new ATOM 150 N LEU A 12 16.660 9.507 -14.551 1.00 64.32 N ATOM 151 CA LEU A 12 17.027 8.211 -15.110 1.00 52.02 C ATOM 152 C LEU A 12 15.904 7.197 -14.917 1.00 33.11 C ATOM 153 O LEU A 12 16.143 5.990 -14.901 1.00 22.33 O ATOM 154 CB LEU A 12 18.312 7.697 -14.458 1.00 65.22 C ATOM 155 CG LEU A 12 19.143 6.721 -15.291 1.00 32.44 C ATOM 156 CD1 LEU A 12 20.361 7.418 -15.874 1.00 44.14 C ATOM 157 CD2 LEU A 12 19.564 5.526 -14.447 1.00 34.45 C ATOM 0 H LEU A 12 16.659 9.541 -13.532 1.00 64.32 H new ATOM 0 HA LEU A 12 17.196 8.339 -16.179 1.00 52.02 H new ATOM 0 HB2 LEU A 12 18.937 8.554 -14.209 1.00 65.22 H new ATOM 0 HB3 LEU A 12 18.050 7.210 -13.519 1.00 65.22 H new ATOM 0 HG LEU A 12 18.527 6.361 -16.115 1.00 32.44 H new ATOM 0 HD11 LEU A 12 20.940 6.707 -16.463 1.00 44.14 H new ATOM 0 HD12 LEU A 12 20.039 8.241 -16.512 1.00 44.14 H new ATOM 0 HD13 LEU A 12 20.980 7.807 -15.065 1.00 44.14 H new ATOM 0 HD21 LEU A 12 20.155 4.841 -15.055 1.00 34.45 H new ATOM 0 HD22 LEU A 12 20.162 5.869 -13.603 1.00 34.45 H new ATOM 0 HD23 LEU A 12 18.677 5.011 -14.078 1.00 34.45 H new ATOM 169 N GLN A 13 14.682 7.696 -14.773 1.00 12.53 N ATOM 170 CA GLN A 13 13.522 6.832 -14.582 1.00 42.34 C ATOM 171 C GLN A 13 13.380 5.847 -15.739 1.00 62.23 C ATOM 172 O GLN A 13 12.770 4.790 -15.593 1.00 55.54 O ATOM 173 CB GLN A 13 12.250 7.672 -14.454 1.00 20.20 C ATOM 174 CG GLN A 13 11.145 6.986 -13.666 1.00 53.02 C ATOM 175 CD GLN A 13 10.038 7.939 -13.263 1.00 40.30 C ATOM 176 OE1 GLN A 13 9.690 8.856 -14.008 1.00 11.40 O ATOM 177 NE2 GLN A 13 9.475 7.727 -12.079 1.00 70.14 N ATOM 0 H GLN A 13 14.468 8.693 -14.785 1.00 12.53 H new ATOM 0 HA GLN A 13 13.670 6.266 -13.662 1.00 42.34 H new ATOM 0 HB2 GLN A 13 12.496 8.618 -13.971 1.00 20.20 H new ATOM 0 HB3 GLN A 13 11.880 7.910 -15.451 1.00 20.20 H new ATOM 0 HG2 GLN A 13 10.724 6.179 -14.265 1.00 53.02 H new ATOM 0 HG3 GLN A 13 11.571 6.531 -12.772 1.00 53.02 H new ATOM 0 HE21 GLN A 13 9.794 6.955 -11.493 1.00 70.14 H new ATOM 0 HE22 GLN A 13 8.723 8.336 -11.755 1.00 70.14 H new ATOM 186 N ASN A 14 13.950 6.203 -16.885 1.00 43.44 N ATOM 187 CA ASN A 14 13.886 5.352 -18.067 1.00 34.25 C ATOM 188 C ASN A 14 14.678 5.960 -19.220 1.00 52.44 C ATOM 189 O ASN A 14 14.202 6.014 -20.355 1.00 53.22 O ATOM 190 CB ASN A 14 12.432 5.137 -18.489 1.00 41.44 C ATOM 191 CG ASN A 14 11.592 6.389 -18.328 1.00 70.41 C ATOM 192 OD1 ASN A 14 12.036 7.493 -18.645 1.00 40.33 O ATOM 193 ND2 ASN A 14 10.372 6.223 -17.830 1.00 50.24 N ATOM 0 H ASN A 14 14.461 7.075 -17.020 1.00 43.44 H new ATOM 0 HA ASN A 14 14.330 4.389 -17.814 1.00 34.25 H new ATOM 0 HB2 ASN A 14 12.403 4.814 -19.530 1.00 41.44 H new ATOM 0 HB3 ASN A 14 11.999 4.333 -17.894 1.00 41.44 H new ATOM 0 HD21 ASN A 14 9.762 7.029 -17.697 1.00 50.24 H new ATOM 0 HD22 ASN A 14 10.045 5.289 -17.581 1.00 50.24 H new ATOM 200 N LEU A 15 15.889 6.418 -18.923 1.00 33.23 N ATOM 201 CA LEU A 15 16.748 7.023 -19.934 1.00 52.24 C ATOM 202 C LEU A 15 18.219 6.876 -19.558 1.00 52.22 C ATOM 203 O LEU A 15 18.658 7.371 -18.518 1.00 14.24 O ATOM 204 CB LEU A 15 16.400 8.503 -20.109 1.00 33.10 C ATOM 205 CG LEU A 15 16.051 8.946 -21.530 1.00 20.11 C ATOM 206 CD1 LEU A 15 17.135 8.515 -22.506 1.00 24.30 C ATOM 207 CD2 LEU A 15 14.700 8.383 -21.948 1.00 45.12 C ATOM 0 H LEU A 15 16.298 6.382 -17.989 1.00 33.23 H new ATOM 0 HA LEU A 15 16.579 6.503 -20.877 1.00 52.24 H new ATOM 0 HB2 LEU A 15 15.557 8.737 -19.459 1.00 33.10 H new ATOM 0 HB3 LEU A 15 17.245 9.098 -19.761 1.00 33.10 H new ATOM 0 HG LEU A 15 15.989 10.034 -21.545 1.00 20.11 H new ATOM 0 HD11 LEU A 15 16.869 8.839 -23.512 1.00 24.30 H new ATOM 0 HD12 LEU A 15 18.084 8.967 -22.218 1.00 24.30 H new ATOM 0 HD13 LEU A 15 17.230 7.429 -22.488 1.00 24.30 H new ATOM 0 HD21 LEU A 15 14.468 8.709 -22.962 1.00 45.12 H new ATOM 0 HD22 LEU A 15 14.734 7.294 -21.915 1.00 45.12 H new ATOM 0 HD23 LEU A 15 13.929 8.743 -21.266 1.00 45.12 H new ATOM 219 N LEU A 16 18.978 6.196 -20.410 1.00 50.34 N ATOM 220 CA LEU A 16 20.401 5.986 -20.169 1.00 73.32 C ATOM 221 C LEU A 16 21.235 6.519 -21.329 1.00 53.25 C ATOM 222 O LEU A 16 22.025 5.789 -21.927 1.00 32.10 O ATOM 223 CB LEU A 16 20.689 4.497 -19.961 1.00 65.24 C ATOM 224 CG LEU A 16 21.831 4.164 -19.000 1.00 31.05 C ATOM 225 CD1 LEU A 16 23.090 4.926 -19.382 1.00 12.13 C ATOM 226 CD2 LEU A 16 21.430 4.476 -17.566 1.00 70.12 C ATOM 0 H LEU A 16 18.631 5.780 -21.275 1.00 50.34 H new ATOM 0 HA LEU A 16 20.676 6.533 -19.267 1.00 73.32 H new ATOM 0 HB2 LEU A 16 19.781 4.019 -19.594 1.00 65.24 H new ATOM 0 HB3 LEU A 16 20.914 4.052 -20.930 1.00 65.24 H new ATOM 0 HG LEU A 16 22.042 3.097 -19.073 1.00 31.05 H new ATOM 0 HD11 LEU A 16 23.892 4.676 -18.687 1.00 12.13 H new ATOM 0 HD12 LEU A 16 23.388 4.652 -20.394 1.00 12.13 H new ATOM 0 HD13 LEU A 16 22.894 5.997 -19.340 1.00 12.13 H new ATOM 0 HD21 LEU A 16 22.255 4.233 -16.896 1.00 70.12 H new ATOM 0 HD22 LEU A 16 21.191 5.536 -17.477 1.00 70.12 H new ATOM 0 HD23 LEU A 16 20.556 3.883 -17.295 1.00 70.12 H new ATOM 238 N VAL A 17 21.054 7.798 -21.643 1.00 61.44 N ATOM 239 CA VAL A 17 21.792 8.431 -22.730 1.00 54.41 C ATOM 240 C VAL A 17 23.032 9.149 -22.209 1.00 34.05 C ATOM 241 O VAL A 17 23.196 9.329 -21.002 1.00 2.33 O ATOM 242 CB VAL A 17 20.912 9.438 -23.494 1.00 41.11 C ATOM 243 CG1 VAL A 17 19.808 8.717 -24.250 1.00 54.50 C ATOM 244 CG2 VAL A 17 20.330 10.468 -22.538 1.00 41.21 C ATOM 0 H VAL A 17 20.402 8.416 -21.160 1.00 61.44 H new ATOM 0 HA VAL A 17 22.096 7.636 -23.411 1.00 54.41 H new ATOM 0 HB VAL A 17 21.535 9.960 -24.220 1.00 41.11 H new ATOM 0 HG11 VAL A 17 19.197 9.445 -24.783 1.00 54.50 H new ATOM 0 HG12 VAL A 17 20.250 8.022 -24.964 1.00 54.50 H new ATOM 0 HG13 VAL A 17 19.184 8.166 -23.546 1.00 54.50 H new ATOM 0 HG21 VAL A 17 19.711 11.172 -23.094 1.00 41.21 H new ATOM 0 HG22 VAL A 17 19.721 9.964 -21.787 1.00 41.21 H new ATOM 0 HG23 VAL A 17 21.140 11.007 -22.047 1.00 41.21 H new ATOM 254 N TYR A 18 23.902 9.556 -23.125 1.00 11.42 N ATOM 255 CA TYR A 18 25.129 10.253 -22.758 1.00 0.34 C ATOM 256 C TYR A 18 24.914 11.763 -22.742 1.00 45.03 C ATOM 257 O TYR A 18 25.549 12.485 -21.972 1.00 55.22 O ATOM 258 CB TYR A 18 26.253 9.897 -23.732 1.00 21.30 C ATOM 259 CG TYR A 18 26.048 10.453 -25.123 1.00 21.03 C ATOM 260 CD1 TYR A 18 26.439 11.747 -25.440 1.00 42.10 C ATOM 261 CD2 TYR A 18 25.462 9.683 -26.120 1.00 4.52 C ATOM 262 CE1 TYR A 18 26.253 12.260 -26.709 1.00 13.51 C ATOM 263 CE2 TYR A 18 25.272 10.186 -27.393 1.00 24.45 C ATOM 264 CZ TYR A 18 25.670 11.475 -27.682 1.00 44.51 C ATOM 265 OH TYR A 18 25.481 11.980 -28.949 1.00 65.42 O ATOM 0 H TYR A 18 23.781 9.415 -24.128 1.00 11.42 H new ATOM 0 HA TYR A 18 25.412 9.934 -21.755 1.00 0.34 H new ATOM 0 HB2 TYR A 18 27.197 10.271 -23.336 1.00 21.30 H new ATOM 0 HB3 TYR A 18 26.340 8.812 -23.793 1.00 21.30 H new ATOM 0 HD1 TYR A 18 26.897 12.364 -24.681 1.00 42.10 H new ATOM 0 HD2 TYR A 18 25.150 8.674 -25.896 1.00 4.52 H new ATOM 0 HE1 TYR A 18 26.562 13.269 -26.938 1.00 13.51 H new ATOM 0 HE2 TYR A 18 24.815 9.574 -28.157 1.00 24.45 H new ATOM 0 HH TYR A 18 25.060 11.299 -29.513 1.00 65.42 H new ATOM 275 N VAL A 19 24.011 12.234 -23.596 1.00 43.03 N ATOM 276 CA VAL A 19 23.709 13.659 -23.681 1.00 20.04 C ATOM 277 C VAL A 19 23.232 14.200 -22.337 1.00 52.13 C ATOM 278 O VAL A 19 23.304 15.400 -22.080 1.00 2.32 O ATOM 279 CB VAL A 19 22.635 13.942 -24.746 1.00 51.20 C ATOM 280 CG1 VAL A 19 21.281 13.418 -24.293 1.00 2.41 C ATOM 281 CG2 VAL A 19 22.565 15.431 -25.050 1.00 4.12 C ATOM 0 H VAL A 19 23.476 11.650 -24.239 1.00 43.03 H new ATOM 0 HA VAL A 19 24.633 14.163 -23.965 1.00 20.04 H new ATOM 0 HB VAL A 19 22.911 13.420 -25.662 1.00 51.20 H new ATOM 0 HG11 VAL A 19 20.535 13.628 -25.059 1.00 2.41 H new ATOM 0 HG12 VAL A 19 21.343 12.342 -24.131 1.00 2.41 H new ATOM 0 HG13 VAL A 19 20.994 13.909 -23.363 1.00 2.41 H new ATOM 0 HG21 VAL A 19 21.800 15.613 -25.805 1.00 4.12 H new ATOM 0 HG22 VAL A 19 22.314 15.977 -24.140 1.00 4.12 H new ATOM 0 HG23 VAL A 19 23.531 15.772 -25.422 1.00 4.12 H new ATOM 291 N ASN A 20 22.746 13.304 -21.484 1.00 11.14 N ATOM 292 CA ASN A 20 22.257 13.691 -20.166 1.00 5.40 C ATOM 293 C ASN A 20 21.041 14.607 -20.284 1.00 31.12 C ATOM 294 O ASN A 20 20.899 15.569 -19.529 1.00 34.34 O ATOM 295 CB ASN A 20 23.362 14.393 -19.374 1.00 11.43 C ATOM 296 CG ASN A 20 23.325 14.046 -17.898 1.00 54.32 C ATOM 297 OD1 ASN A 20 22.489 14.555 -17.150 1.00 54.31 O ATOM 298 ND2 ASN A 20 24.233 13.177 -17.472 1.00 14.22 N ATOM 0 H ASN A 20 22.680 12.306 -21.682 1.00 11.14 H new ATOM 0 HA ASN A 20 21.959 12.786 -19.637 1.00 5.40 H new ATOM 0 HB2 ASN A 20 24.332 14.116 -19.785 1.00 11.43 H new ATOM 0 HB3 ASN A 20 23.262 15.472 -19.493 1.00 11.43 H new ATOM 0 HD21 ASN A 20 24.257 12.906 -16.489 1.00 14.22 H new ATOM 0 HD22 ASN A 20 24.906 12.780 -18.128 1.00 14.22 H new ATOM 305 N TRP A 21 20.167 14.300 -21.236 1.00 21.02 N ATOM 306 CA TRP A 21 18.963 15.094 -21.453 1.00 71.51 C ATOM 307 C TRP A 21 18.028 14.406 -22.441 1.00 11.01 C ATOM 308 O TRP A 21 17.036 13.793 -22.047 1.00 24.14 O ATOM 309 CB TRP A 21 19.332 16.487 -21.966 1.00 74.40 C ATOM 310 CG TRP A 21 18.156 17.262 -22.478 1.00 14.34 C ATOM 311 CD1 TRP A 21 16.957 17.443 -21.850 1.00 12.00 C ATOM 312 CD2 TRP A 21 18.067 17.959 -23.726 1.00 11.13 C ATOM 313 NE1 TRP A 21 16.127 18.210 -22.632 1.00 15.20 N ATOM 314 CE2 TRP A 21 16.785 18.539 -23.787 1.00 62.04 C ATOM 315 CE3 TRP A 21 18.945 18.150 -24.796 1.00 23.15 C ATOM 316 CZ2 TRP A 21 16.363 19.296 -24.877 1.00 1.21 C ATOM 317 CZ3 TRP A 21 18.524 18.901 -25.876 1.00 53.14 C ATOM 318 CH2 TRP A 21 17.243 19.467 -25.911 1.00 43.50 C ATOM 0 H TRP A 21 20.269 13.507 -21.870 1.00 21.02 H new ATOM 0 HA TRP A 21 18.445 15.191 -20.499 1.00 71.51 H new ATOM 0 HB2 TRP A 21 19.806 17.049 -21.161 1.00 74.40 H new ATOM 0 HB3 TRP A 21 20.069 16.389 -22.763 1.00 74.40 H new ATOM 0 HD1 TRP A 21 16.699 17.042 -20.881 1.00 12.00 H new ATOM 0 HE1 TRP A 21 15.176 18.489 -22.391 1.00 15.20 H new ATOM 0 HE3 TRP A 21 19.935 17.718 -24.779 1.00 23.15 H new ATOM 0 HZ2 TRP A 21 15.376 19.733 -24.905 1.00 1.21 H new ATOM 0 HZ3 TRP A 21 19.195 19.055 -26.709 1.00 53.14 H new ATOM 0 HH2 TRP A 21 16.944 20.049 -26.770 1.00 43.50 H new ATOM 329 N SER A 22 18.351 14.511 -23.727 1.00 2.05 N ATOM 330 CA SER A 22 17.536 13.901 -24.771 1.00 62.52 C ATOM 331 C SER A 22 16.053 14.160 -24.524 1.00 33.24 C ATOM 332 O SER A 22 15.214 13.286 -24.745 1.00 51.22 O ATOM 333 CB SER A 22 17.799 12.396 -24.839 1.00 11.03 C ATOM 334 OG SER A 22 17.660 11.912 -26.163 1.00 61.21 O ATOM 0 H SER A 22 19.170 15.012 -24.070 1.00 2.05 H new ATOM 0 HA SER A 22 17.812 14.354 -25.724 1.00 62.52 H new ATOM 0 HB2 SER A 22 18.804 12.183 -24.474 1.00 11.03 H new ATOM 0 HB3 SER A 22 17.104 11.872 -24.183 1.00 11.03 H new ATOM 0 HG SER A 22 17.835 10.948 -26.179 1.00 61.21 H new ATOM 340 N SER A 23 15.738 15.365 -24.063 1.00 0.32 N ATOM 341 CA SER A 23 14.356 15.738 -23.781 1.00 63.12 C ATOM 342 C SER A 23 13.804 14.933 -22.610 1.00 33.15 C ATOM 343 O SER A 23 13.824 13.701 -22.625 1.00 4.10 O ATOM 344 CB SER A 23 13.485 15.524 -25.020 1.00 21.12 C ATOM 345 OG SER A 23 14.137 15.987 -26.189 1.00 63.33 O ATOM 0 H SER A 23 16.420 16.100 -23.877 1.00 0.32 H new ATOM 0 HA SER A 23 14.338 16.794 -23.512 1.00 63.12 H new ATOM 0 HB2 SER A 23 13.252 14.464 -25.126 1.00 21.12 H new ATOM 0 HB3 SER A 23 12.537 16.048 -24.897 1.00 21.12 H new ATOM 0 HG SER A 23 13.560 15.837 -26.967 1.00 63.33 H new ATOM 351 N TYR A 24 13.310 15.635 -21.596 1.00 71.03 N ATOM 352 CA TYR A 24 12.754 14.985 -20.415 1.00 41.34 C ATOM 353 C TYR A 24 11.732 13.923 -20.808 1.00 44.03 C ATOM 354 O TYR A 24 11.093 13.999 -21.859 1.00 31.45 O ATOM 355 CB TYR A 24 12.103 16.021 -19.497 1.00 51.21 C ATOM 356 CG TYR A 24 13.067 16.655 -18.519 1.00 54.45 C ATOM 357 CD1 TYR A 24 14.396 16.870 -18.864 1.00 32.15 C ATOM 358 CD2 TYR A 24 12.649 17.041 -17.252 1.00 51.31 C ATOM 359 CE1 TYR A 24 15.281 17.447 -17.974 1.00 64.10 C ATOM 360 CE2 TYR A 24 13.526 17.621 -16.355 1.00 54.35 C ATOM 361 CZ TYR A 24 14.840 17.821 -16.721 1.00 72.10 C ATOM 362 OH TYR A 24 15.718 18.398 -15.832 1.00 2.11 O ATOM 0 H TYR A 24 13.283 16.654 -21.568 1.00 71.03 H new ATOM 0 HA TYR A 24 13.570 14.498 -19.881 1.00 41.34 H new ATOM 0 HB2 TYR A 24 11.652 16.803 -20.108 1.00 51.21 H new ATOM 0 HB3 TYR A 24 11.295 15.545 -18.941 1.00 51.21 H new ATOM 0 HD1 TYR A 24 14.743 16.581 -19.845 1.00 32.15 H new ATOM 0 HD2 TYR A 24 11.620 16.885 -16.963 1.00 51.31 H new ATOM 0 HE1 TYR A 24 16.311 17.604 -18.257 1.00 64.10 H new ATOM 0 HE2 TYR A 24 13.184 17.916 -15.374 1.00 54.35 H new ATOM 0 HH TYR A 24 15.249 18.603 -14.996 1.00 2.11 H new ATOM 372 N PRO A 25 11.571 12.910 -19.944 1.00 40.14 N ATOM 373 CA PRO A 25 10.627 11.813 -20.178 1.00 4.45 C ATOM 374 C PRO A 25 9.175 12.266 -20.069 1.00 21.15 C ATOM 375 O PRO A 25 8.885 13.334 -19.531 1.00 22.43 O ATOM 376 CB PRO A 25 10.962 10.815 -19.067 1.00 2.03 C ATOM 377 CG PRO A 25 11.564 11.641 -17.983 1.00 51.30 C ATOM 378 CD PRO A 25 12.299 12.756 -18.674 1.00 61.02 C ATOM 0 HA PRO A 25 10.721 11.400 -21.182 1.00 4.45 H new ATOM 0 HB2 PRO A 25 10.069 10.296 -18.719 1.00 2.03 H new ATOM 0 HB3 PRO A 25 11.658 10.053 -19.417 1.00 2.03 H new ATOM 0 HG2 PRO A 25 10.795 12.034 -17.318 1.00 51.30 H new ATOM 0 HG3 PRO A 25 12.242 11.047 -17.370 1.00 51.30 H new ATOM 0 HD2 PRO A 25 12.280 13.674 -18.087 1.00 61.02 H new ATOM 0 HD3 PRO A 25 13.347 12.505 -18.839 1.00 61.02 H new ATOM 386 N LYS A 26 8.264 11.445 -20.581 1.00 45.43 N ATOM 387 CA LYS A 26 6.840 11.759 -20.540 1.00 34.41 C ATOM 388 C LYS A 26 6.133 10.932 -19.472 1.00 3.23 C ATOM 389 O LYS A 26 6.613 9.872 -19.073 1.00 14.22 O ATOM 390 CB LYS A 26 6.201 11.503 -21.906 1.00 74.11 C ATOM 391 CG LYS A 26 5.094 10.463 -21.874 1.00 44.31 C ATOM 392 CD LYS A 26 4.586 10.146 -23.271 1.00 62.21 C ATOM 393 CE LYS A 26 5.551 9.242 -24.022 1.00 20.34 C ATOM 394 NZ LYS A 26 4.849 8.102 -24.674 1.00 74.11 N ATOM 0 H LYS A 26 8.487 10.556 -21.030 1.00 45.43 H new ATOM 0 HA LYS A 26 6.732 12.814 -20.288 1.00 34.41 H new ATOM 0 HB2 LYS A 26 5.797 12.440 -22.290 1.00 74.11 H new ATOM 0 HB3 LYS A 26 6.973 11.179 -22.604 1.00 74.11 H new ATOM 0 HG2 LYS A 26 5.464 9.551 -21.405 1.00 44.31 H new ATOM 0 HG3 LYS A 26 4.270 10.826 -21.260 1.00 44.31 H new ATOM 0 HD2 LYS A 26 3.611 9.664 -23.204 1.00 62.21 H new ATOM 0 HD3 LYS A 26 4.446 11.073 -23.827 1.00 62.21 H new ATOM 0 HE2 LYS A 26 6.080 9.823 -24.778 1.00 20.34 H new ATOM 0 HE3 LYS A 26 6.302 8.859 -23.331 1.00 20.34 H new ATOM 0 HZ1 LYS A 26 5.541 7.509 -25.176 1.00 74.11 H new ATOM 0 HZ2 LYS A 26 4.365 7.533 -23.951 1.00 74.11 H new ATOM 0 HZ3 LYS A 26 4.150 8.467 -25.352 1.00 74.11 H new ATOM 408 N TYR A 27 4.986 11.424 -19.014 1.00 35.52 N ATOM 409 CA TYR A 27 4.212 10.731 -17.990 1.00 53.11 C ATOM 410 C TYR A 27 4.017 9.262 -18.356 1.00 50.13 C ATOM 411 O TYR A 27 3.370 8.942 -19.353 1.00 12.24 O ATOM 412 CB TYR A 27 2.853 11.407 -17.806 1.00 22.14 C ATOM 413 CG TYR A 27 1.824 10.524 -17.134 1.00 72.12 C ATOM 414 CD1 TYR A 27 2.103 9.893 -15.928 1.00 31.21 C ATOM 415 CD2 TYR A 27 0.575 10.321 -17.706 1.00 4.14 C ATOM 416 CE1 TYR A 27 1.168 9.085 -15.311 1.00 61.10 C ATOM 417 CE2 TYR A 27 -0.368 9.517 -17.095 1.00 21.02 C ATOM 418 CZ TYR A 27 -0.066 8.901 -15.899 1.00 0.24 C ATOM 419 OH TYR A 27 -1.002 8.098 -15.288 1.00 11.55 O ATOM 0 H TYR A 27 4.572 12.299 -19.335 1.00 35.52 H new ATOM 0 HA TYR A 27 4.766 10.783 -17.053 1.00 53.11 H new ATOM 0 HB2 TYR A 27 2.984 12.313 -17.214 1.00 22.14 H new ATOM 0 HB3 TYR A 27 2.475 11.715 -18.781 1.00 22.14 H new ATOM 0 HD1 TYR A 27 3.068 10.037 -15.465 1.00 31.21 H new ATOM 0 HD2 TYR A 27 0.337 10.800 -18.644 1.00 4.14 H new ATOM 0 HE1 TYR A 27 1.402 8.601 -14.374 1.00 61.10 H new ATOM 0 HE2 TYR A 27 -1.336 9.372 -17.552 1.00 21.02 H new ATOM 0 HH TYR A 27 -1.094 8.360 -14.348 1.00 11.55 H new ATOM 429 N GLU A 28 4.582 8.376 -17.543 1.00 23.24 N ATOM 430 CA GLU A 28 4.471 6.942 -17.781 1.00 3.44 C ATOM 431 C GLU A 28 3.457 6.310 -16.831 1.00 62.52 C ATOM 432 O GLU A 28 3.734 6.073 -15.655 1.00 15.14 O ATOM 433 CB GLU A 28 5.834 6.267 -17.611 1.00 44.50 C ATOM 434 CG GLU A 28 6.039 5.072 -18.526 1.00 21.04 C ATOM 435 CD GLU A 28 6.765 3.931 -17.841 1.00 33.54 C ATOM 436 OE1 GLU A 28 7.700 4.208 -17.061 1.00 33.33 O ATOM 437 OE2 GLU A 28 6.399 2.762 -18.085 1.00 61.31 O ATOM 0 H GLU A 28 5.121 8.626 -16.714 1.00 23.24 H new ATOM 0 HA GLU A 28 4.126 6.795 -18.804 1.00 3.44 H new ATOM 0 HB2 GLU A 28 6.619 6.999 -17.802 1.00 44.50 H new ATOM 0 HB3 GLU A 28 5.944 5.944 -16.576 1.00 44.50 H new ATOM 0 HG2 GLU A 28 5.070 4.720 -18.881 1.00 21.04 H new ATOM 0 HG3 GLU A 28 6.606 5.384 -19.403 1.00 21.04 H new ATOM 444 N PRO A 29 2.253 6.031 -17.352 1.00 3.12 N ATOM 445 CA PRO A 29 1.173 5.424 -16.569 1.00 32.02 C ATOM 446 C PRO A 29 1.464 3.970 -16.211 1.00 21.24 C ATOM 447 O PRO A 29 1.780 3.158 -17.079 1.00 43.55 O ATOM 448 CB PRO A 29 -0.036 5.513 -17.503 1.00 21.11 C ATOM 449 CG PRO A 29 0.546 5.555 -18.873 1.00 75.13 C ATOM 450 CD PRO A 29 1.853 6.288 -18.746 1.00 35.31 C ATOM 0 HA PRO A 29 1.028 5.929 -15.614 1.00 32.02 H new ATOM 0 HB2 PRO A 29 -0.696 4.654 -17.379 1.00 21.11 H new ATOM 0 HB3 PRO A 29 -0.630 6.404 -17.298 1.00 21.11 H new ATOM 0 HG2 PRO A 29 0.699 4.549 -19.263 1.00 75.13 H new ATOM 0 HG3 PRO A 29 -0.123 6.067 -19.565 1.00 75.13 H new ATOM 0 HD2 PRO A 29 2.594 5.914 -19.452 1.00 35.31 H new ATOM 0 HD3 PRO A 29 1.737 7.354 -18.941 1.00 35.31 H new ATOM 458 N GLY A 30 1.355 3.648 -14.926 1.00 24.24 N ATOM 459 CA GLY A 30 1.608 2.292 -14.476 1.00 32.21 C ATOM 460 C GLY A 30 2.901 2.172 -13.694 1.00 64.34 C ATOM 461 O GLY A 30 3.481 1.091 -13.599 1.00 32.22 O ATOM 0 H GLY A 30 1.096 4.303 -14.188 1.00 24.24 H new ATOM 0 HA2 GLY A 30 0.778 1.958 -13.853 1.00 32.21 H new ATOM 0 HA3 GLY A 30 1.646 1.627 -15.339 1.00 32.21 H new ATOM 465 N LYS A 31 3.356 3.288 -13.133 1.00 42.22 N ATOM 466 CA LYS A 31 4.589 3.306 -12.355 1.00 73.53 C ATOM 467 C LYS A 31 4.534 4.379 -11.272 1.00 10.24 C ATOM 468 O LYS A 31 4.305 5.553 -11.560 1.00 33.43 O ATOM 469 CB LYS A 31 5.791 3.553 -13.270 1.00 41.31 C ATOM 470 CG LYS A 31 6.967 4.207 -12.566 1.00 60.03 C ATOM 471 CD LYS A 31 8.236 4.110 -13.395 1.00 74.31 C ATOM 472 CE LYS A 31 9.364 3.453 -12.613 1.00 52.12 C ATOM 473 NZ LYS A 31 10.231 2.615 -13.487 1.00 45.41 N ATOM 0 H LYS A 31 2.889 4.192 -13.203 1.00 42.22 H new ATOM 0 HA LYS A 31 4.699 2.334 -11.874 1.00 73.53 H new ATOM 0 HB2 LYS A 31 6.115 2.603 -13.694 1.00 41.31 H new ATOM 0 HB3 LYS A 31 5.480 4.184 -14.102 1.00 41.31 H new ATOM 0 HG2 LYS A 31 6.738 5.255 -12.370 1.00 60.03 H new ATOM 0 HG3 LYS A 31 7.125 3.729 -11.599 1.00 60.03 H new ATOM 0 HD2 LYS A 31 8.037 3.537 -14.300 1.00 74.31 H new ATOM 0 HD3 LYS A 31 8.543 5.107 -13.710 1.00 74.31 H new ATOM 0 HE2 LYS A 31 9.968 4.222 -12.132 1.00 52.12 H new ATOM 0 HE3 LYS A 31 8.944 2.835 -11.819 1.00 52.12 H new ATOM 0 HZ1 LYS A 31 10.987 2.185 -12.917 1.00 45.41 H new ATOM 0 HZ2 LYS A 31 9.660 1.865 -13.926 1.00 45.41 H new ATOM 0 HZ3 LYS A 31 10.653 3.209 -14.229 1.00 45.41 H new ATOM 487 N GLU A 32 4.745 3.966 -10.025 1.00 52.43 N ATOM 488 CA GLU A 32 4.719 4.893 -8.900 1.00 21.24 C ATOM 489 C GLU A 32 5.578 6.121 -9.187 1.00 25.22 C ATOM 490 O GLU A 32 6.386 6.124 -10.115 1.00 55.34 O ATOM 491 CB GLU A 32 5.211 4.199 -7.628 1.00 21.21 C ATOM 492 CG GLU A 32 6.475 3.382 -7.830 1.00 72.13 C ATOM 493 CD GLU A 32 6.245 1.895 -7.645 1.00 23.32 C ATOM 494 OE1 GLU A 32 6.259 1.434 -6.484 1.00 33.41 O ATOM 495 OE2 GLU A 32 6.050 1.192 -8.658 1.00 71.54 O ATOM 0 H GLU A 32 4.935 2.997 -9.770 1.00 52.43 H new ATOM 0 HA GLU A 32 3.689 5.218 -8.753 1.00 21.24 H new ATOM 0 HB2 GLU A 32 5.394 4.952 -6.861 1.00 21.21 H new ATOM 0 HB3 GLU A 32 4.423 3.546 -7.252 1.00 21.21 H new ATOM 0 HG2 GLU A 32 6.864 3.564 -8.832 1.00 72.13 H new ATOM 0 HG3 GLU A 32 7.237 3.718 -7.126 1.00 72.13 H new ATOM 502 N TYR A 33 5.397 7.164 -8.383 1.00 12.05 N ATOM 503 CA TYR A 33 6.152 8.399 -8.551 1.00 54.25 C ATOM 504 C TYR A 33 6.494 9.017 -7.199 1.00 62.24 C ATOM 505 O TYR A 33 5.608 9.399 -6.437 1.00 64.13 O ATOM 506 CB TYR A 33 5.357 9.397 -9.395 1.00 3.13 C ATOM 507 CG TYR A 33 5.303 9.041 -10.863 1.00 62.12 C ATOM 508 CD1 TYR A 33 6.392 9.271 -11.694 1.00 61.33 C ATOM 509 CD2 TYR A 33 4.162 8.477 -11.420 1.00 43.33 C ATOM 510 CE1 TYR A 33 6.348 8.948 -13.037 1.00 65.23 C ATOM 511 CE2 TYR A 33 4.108 8.151 -12.762 1.00 21.32 C ATOM 512 CZ TYR A 33 5.204 8.389 -13.565 1.00 14.53 C ATOM 513 OH TYR A 33 5.154 8.065 -14.902 1.00 71.01 O ATOM 0 H TYR A 33 4.733 7.178 -7.608 1.00 12.05 H new ATOM 0 HA TYR A 33 7.082 8.159 -9.066 1.00 54.25 H new ATOM 0 HB2 TYR A 33 4.340 9.459 -9.007 1.00 3.13 H new ATOM 0 HB3 TYR A 33 5.801 10.387 -9.286 1.00 3.13 H new ATOM 0 HD1 TYR A 33 7.289 9.710 -11.283 1.00 61.33 H new ATOM 0 HD2 TYR A 33 3.302 8.290 -10.793 1.00 43.33 H new ATOM 0 HE1 TYR A 33 7.204 9.132 -13.669 1.00 65.23 H new ATOM 0 HE2 TYR A 33 3.213 7.713 -13.179 1.00 21.32 H new ATOM 0 HH TYR A 33 4.904 7.123 -15.001 1.00 71.01 H new ATOM 523 N ASN A 34 7.788 9.112 -6.909 1.00 14.13 N ATOM 524 CA ASN A 34 8.249 9.684 -5.650 1.00 15.14 C ATOM 525 C ASN A 34 8.211 11.207 -5.697 1.00 60.25 C ATOM 526 O ASN A 34 8.057 11.801 -6.765 1.00 33.41 O ATOM 527 CB ASN A 34 9.670 9.208 -5.339 1.00 14.35 C ATOM 528 CG ASN A 34 10.631 9.470 -6.483 1.00 25.31 C ATOM 529 OD1 ASN A 34 10.762 8.656 -7.398 1.00 30.50 O ATOM 530 ND2 ASN A 34 11.307 10.612 -6.436 1.00 32.41 N ATOM 0 H ASN A 34 8.535 8.800 -7.529 1.00 14.13 H new ATOM 0 HA ASN A 34 7.578 9.346 -4.860 1.00 15.14 H new ATOM 0 HB2 ASN A 34 10.031 9.712 -4.442 1.00 14.35 H new ATOM 0 HB3 ASN A 34 9.653 8.140 -5.120 1.00 14.35 H new ATOM 0 HD21 ASN A 34 11.967 10.845 -7.178 1.00 32.41 H new ATOM 0 HD22 ASN A 34 11.166 11.256 -5.658 1.00 32.41 H new ATOM 537 N GLN A 35 8.351 11.834 -4.534 1.00 61.31 N ATOM 538 CA GLN A 35 8.332 13.290 -4.443 1.00 74.32 C ATOM 539 C GLN A 35 9.517 13.896 -5.189 1.00 51.11 C ATOM 540 O GLN A 35 10.645 13.418 -5.077 1.00 64.51 O ATOM 541 CB GLN A 35 8.356 13.731 -2.979 1.00 75.03 C ATOM 542 CG GLN A 35 9.728 13.626 -2.334 1.00 63.03 C ATOM 543 CD GLN A 35 9.728 14.075 -0.885 1.00 15.02 C ATOM 544 OE1 GLN A 35 10.216 15.156 -0.558 1.00 31.10 O ATOM 545 NE2 GLN A 35 9.179 13.242 -0.008 1.00 30.10 N ATOM 0 H GLN A 35 8.479 11.357 -3.641 1.00 61.31 H new ATOM 0 HA GLN A 35 7.412 13.647 -4.907 1.00 74.32 H new ATOM 0 HB2 GLN A 35 8.011 14.763 -2.913 1.00 75.03 H new ATOM 0 HB3 GLN A 35 7.650 13.122 -2.413 1.00 75.03 H new ATOM 0 HG2 GLN A 35 10.074 12.594 -2.391 1.00 63.03 H new ATOM 0 HG3 GLN A 35 10.438 14.231 -2.898 1.00 63.03 H new ATOM 0 HE21 GLN A 35 8.786 12.355 -0.324 1.00 30.10 H new ATOM 0 HE22 GLN A 35 9.150 13.489 0.981 1.00 30.10 H new ATOM 554 N GLY A 36 9.252 14.953 -5.951 1.00 31.10 N ATOM 555 CA GLY A 36 10.306 15.608 -6.704 1.00 52.54 C ATOM 556 C GLY A 36 10.370 15.134 -8.143 1.00 60.14 C ATOM 557 O GLY A 36 10.913 15.824 -9.006 1.00 53.33 O ATOM 0 H GLY A 36 8.326 15.367 -6.060 1.00 31.10 H new ATOM 0 HA2 GLY A 36 10.145 16.686 -6.686 1.00 52.54 H new ATOM 0 HA3 GLY A 36 11.265 15.421 -6.220 1.00 52.54 H new ATOM 561 N ASP A 37 9.817 13.955 -8.401 1.00 14.42 N ATOM 562 CA ASP A 37 9.814 13.389 -9.745 1.00 42.42 C ATOM 563 C ASP A 37 9.088 14.310 -10.721 1.00 54.01 C ATOM 564 O ASP A 37 7.976 14.763 -10.451 1.00 54.43 O ATOM 565 CB ASP A 37 9.154 12.009 -9.740 1.00 51.33 C ATOM 566 CG ASP A 37 9.116 11.380 -11.118 1.00 50.53 C ATOM 567 OD1 ASP A 37 8.407 11.918 -11.996 1.00 14.11 O ATOM 568 OD2 ASP A 37 9.793 10.351 -11.320 1.00 53.22 O ATOM 0 H ASP A 37 9.365 13.372 -7.697 1.00 14.42 H new ATOM 0 HA ASP A 37 10.849 13.287 -10.071 1.00 42.42 H new ATOM 0 HB2 ASP A 37 9.696 11.353 -9.059 1.00 51.33 H new ATOM 0 HB3 ASP A 37 8.138 12.097 -9.356 1.00 51.33 H new ATOM 573 N ILE A 38 9.726 14.583 -11.855 1.00 23.32 N ATOM 574 CA ILE A 38 9.141 15.450 -12.869 1.00 61.15 C ATOM 575 C ILE A 38 8.981 14.714 -14.195 1.00 61.05 C ATOM 576 O ILE A 38 9.903 14.042 -14.660 1.00 63.40 O ATOM 577 CB ILE A 38 9.997 16.711 -13.094 1.00 53.54 C ATOM 578 CG1 ILE A 38 10.122 17.508 -11.795 1.00 4.53 C ATOM 579 CG2 ILE A 38 9.392 17.571 -14.195 1.00 23.51 C ATOM 580 CD1 ILE A 38 11.531 17.555 -11.249 1.00 64.54 C ATOM 0 H ILE A 38 10.647 14.216 -12.094 1.00 23.32 H new ATOM 0 HA ILE A 38 8.159 15.749 -12.501 1.00 61.15 H new ATOM 0 HB ILE A 38 10.995 16.404 -13.406 1.00 53.54 H new ATOM 0 HG12 ILE A 38 9.774 18.526 -11.968 1.00 4.53 H new ATOM 0 HG13 ILE A 38 9.464 17.069 -11.044 1.00 4.53 H new ATOM 0 HG21 ILE A 38 10.007 18.458 -14.343 1.00 23.51 H new ATOM 0 HG22 ILE A 38 9.351 16.999 -15.122 1.00 23.51 H new ATOM 0 HG23 ILE A 38 8.384 17.872 -13.909 1.00 23.51 H new ATOM 0 HD11 ILE A 38 11.545 18.137 -10.327 1.00 64.54 H new ATOM 0 HD12 ILE A 38 11.876 16.541 -11.044 1.00 64.54 H new ATOM 0 HD13 ILE A 38 12.190 18.021 -11.982 1.00 64.54 H new ATOM 592 N VAL A 39 7.806 14.847 -14.801 1.00 54.34 N ATOM 593 CA VAL A 39 7.526 14.197 -16.077 1.00 21.12 C ATOM 594 C VAL A 39 6.832 15.153 -17.041 1.00 20.43 C ATOM 595 O VAL A 39 6.284 16.174 -16.629 1.00 24.54 O ATOM 596 CB VAL A 39 6.646 12.947 -15.888 1.00 70.31 C ATOM 597 CG1 VAL A 39 7.200 12.065 -14.780 1.00 61.54 C ATOM 598 CG2 VAL A 39 5.209 13.348 -15.593 1.00 1.42 C ATOM 0 H VAL A 39 7.032 15.399 -14.430 1.00 54.34 H new ATOM 0 HA VAL A 39 8.486 13.897 -16.497 1.00 21.12 H new ATOM 0 HB VAL A 39 6.657 12.373 -16.815 1.00 70.31 H new ATOM 0 HG11 VAL A 39 6.565 11.187 -14.662 1.00 61.54 H new ATOM 0 HG12 VAL A 39 8.211 11.749 -15.038 1.00 61.54 H new ATOM 0 HG13 VAL A 39 7.222 12.626 -13.845 1.00 61.54 H new ATOM 0 HG21 VAL A 39 4.601 12.453 -15.462 1.00 1.42 H new ATOM 0 HG22 VAL A 39 5.178 13.944 -14.681 1.00 1.42 H new ATOM 0 HG23 VAL A 39 4.817 13.935 -16.424 1.00 1.42 H new ATOM 608 N GLU A 40 6.860 14.813 -18.326 1.00 35.32 N ATOM 609 CA GLU A 40 6.234 15.643 -19.348 1.00 34.34 C ATOM 610 C GLU A 40 4.885 15.064 -19.766 1.00 41.33 C ATOM 611 O GLU A 40 4.787 13.896 -20.139 1.00 15.32 O ATOM 612 CB GLU A 40 7.150 15.764 -20.568 1.00 44.44 C ATOM 613 CG GLU A 40 6.574 16.631 -21.677 1.00 10.24 C ATOM 614 CD GLU A 40 5.696 15.847 -22.633 1.00 20.13 C ATOM 615 OE1 GLU A 40 6.245 15.051 -23.423 1.00 13.12 O ATOM 616 OE2 GLU A 40 4.461 16.030 -22.591 1.00 60.35 O ATOM 0 H GLU A 40 7.309 13.970 -18.683 1.00 35.32 H new ATOM 0 HA GLU A 40 6.070 16.635 -18.926 1.00 34.34 H new ATOM 0 HB2 GLU A 40 8.107 16.179 -20.253 1.00 44.44 H new ATOM 0 HB3 GLU A 40 7.349 14.768 -20.963 1.00 44.44 H new ATOM 0 HG2 GLU A 40 5.992 17.440 -21.236 1.00 10.24 H new ATOM 0 HG3 GLU A 40 7.390 17.092 -22.234 1.00 10.24 H new ATOM 623 N TYR A 41 3.848 15.892 -19.700 1.00 43.25 N ATOM 624 CA TYR A 41 2.504 15.464 -20.069 1.00 10.31 C ATOM 625 C TYR A 41 1.775 16.561 -20.838 1.00 52.51 C ATOM 626 O TYR A 41 1.693 17.702 -20.387 1.00 63.03 O ATOM 627 CB TYR A 41 1.707 15.085 -18.821 1.00 22.34 C ATOM 628 CG TYR A 41 0.245 14.812 -19.094 1.00 60.32 C ATOM 629 CD1 TYR A 41 -0.674 15.851 -19.166 1.00 23.44 C ATOM 630 CD2 TYR A 41 -0.217 13.515 -19.282 1.00 22.21 C ATOM 631 CE1 TYR A 41 -2.012 15.606 -19.415 1.00 73.35 C ATOM 632 CE2 TYR A 41 -1.550 13.261 -19.534 1.00 4.12 C ATOM 633 CZ TYR A 41 -2.444 14.310 -19.599 1.00 21.12 C ATOM 634 OH TYR A 41 -3.774 14.062 -19.848 1.00 33.14 O ATOM 0 H TYR A 41 3.913 16.863 -19.394 1.00 43.25 H new ATOM 0 HA TYR A 41 2.593 14.590 -20.715 1.00 10.31 H new ATOM 0 HB2 TYR A 41 2.155 14.200 -18.370 1.00 22.34 H new ATOM 0 HB3 TYR A 41 1.787 15.890 -18.091 1.00 22.34 H new ATOM 0 HD1 TYR A 41 -0.338 16.868 -19.025 1.00 23.44 H new ATOM 0 HD2 TYR A 41 0.479 12.691 -19.230 1.00 22.21 H new ATOM 0 HE1 TYR A 41 -2.714 16.425 -19.465 1.00 73.35 H new ATOM 0 HE2 TYR A 41 -1.891 12.247 -19.680 1.00 4.12 H new ATOM 0 HH TYR A 41 -3.913 13.098 -19.955 1.00 33.14 H new ATOM 644 N ASN A 42 1.244 16.204 -22.004 1.00 62.11 N ATOM 645 CA ASN A 42 0.520 17.157 -22.837 1.00 52.25 C ATOM 646 C ASN A 42 1.380 18.382 -23.136 1.00 32.30 C ATOM 647 O ASN A 42 0.871 19.493 -23.274 1.00 3.05 O ATOM 648 CB ASN A 42 -0.777 17.586 -22.149 1.00 64.24 C ATOM 649 CG ASN A 42 -1.714 18.321 -23.088 1.00 71.22 C ATOM 650 OD1 ASN A 42 -1.553 18.272 -24.309 1.00 21.54 O ATOM 651 ND2 ASN A 42 -2.700 19.007 -22.522 1.00 52.32 N ATOM 0 H ASN A 42 1.302 15.263 -22.392 1.00 62.11 H new ATOM 0 HA ASN A 42 0.278 16.666 -23.780 1.00 52.25 H new ATOM 0 HB2 ASN A 42 -1.282 16.706 -21.751 1.00 64.24 H new ATOM 0 HB3 ASN A 42 -0.540 18.228 -21.301 1.00 64.24 H new ATOM 0 HD21 ASN A 42 -3.362 19.521 -23.103 1.00 52.32 H new ATOM 0 HD22 ASN A 42 -2.795 19.020 -21.507 1.00 52.32 H new ATOM 658 N GLY A 43 2.690 18.169 -23.237 1.00 3.25 N ATOM 659 CA GLY A 43 3.600 19.264 -23.519 1.00 2.13 C ATOM 660 C GLY A 43 3.818 20.160 -22.316 1.00 33.40 C ATOM 661 O GLY A 43 4.202 21.321 -22.458 1.00 71.13 O ATOM 0 H GLY A 43 3.136 17.258 -23.129 1.00 3.25 H new ATOM 0 HA2 GLY A 43 4.558 18.861 -23.847 1.00 2.13 H new ATOM 0 HA3 GLY A 43 3.205 19.857 -24.344 1.00 2.13 H new ATOM 665 N LYS A 44 3.574 19.621 -21.126 1.00 33.11 N ATOM 666 CA LYS A 44 3.747 20.380 -19.892 1.00 14.34 C ATOM 667 C LYS A 44 4.789 19.723 -18.992 1.00 60.22 C ATOM 668 O LYS A 44 5.391 18.712 -19.356 1.00 42.13 O ATOM 669 CB LYS A 44 2.414 20.492 -19.149 1.00 25.05 C ATOM 670 CG LYS A 44 1.372 21.312 -19.890 1.00 5.03 C ATOM 671 CD LYS A 44 0.772 22.388 -18.999 1.00 42.14 C ATOM 672 CE LYS A 44 -0.727 22.521 -19.218 1.00 55.00 C ATOM 673 NZ LYS A 44 -1.361 23.400 -18.198 1.00 62.31 N ATOM 0 H LYS A 44 3.256 18.662 -20.990 1.00 33.11 H new ATOM 0 HA LYS A 44 4.096 21.379 -20.153 1.00 14.34 H new ATOM 0 HB2 LYS A 44 2.020 19.491 -18.974 1.00 25.05 H new ATOM 0 HB3 LYS A 44 2.589 20.941 -18.171 1.00 25.05 H new ATOM 0 HG2 LYS A 44 1.827 21.775 -20.765 1.00 5.03 H new ATOM 0 HG3 LYS A 44 0.581 20.655 -20.252 1.00 5.03 H new ATOM 0 HD2 LYS A 44 0.968 22.148 -17.954 1.00 42.14 H new ATOM 0 HD3 LYS A 44 1.257 23.343 -19.203 1.00 42.14 H new ATOM 0 HE2 LYS A 44 -0.914 22.926 -20.213 1.00 55.00 H new ATOM 0 HE3 LYS A 44 -1.188 21.534 -19.184 1.00 55.00 H new ATOM 0 HZ1 LYS A 44 -2.383 23.465 -18.382 1.00 62.31 H new ATOM 0 HZ2 LYS A 44 -1.205 23.001 -17.250 1.00 62.31 H new ATOM 0 HZ3 LYS A 44 -0.939 24.349 -18.248 1.00 62.31 H new ATOM 687 N LEU A 45 4.997 20.303 -17.816 1.00 25.31 N ATOM 688 CA LEU A 45 5.966 19.774 -16.862 1.00 31.14 C ATOM 689 C LEU A 45 5.433 19.868 -15.435 1.00 42.24 C ATOM 690 O LEU A 45 5.272 20.962 -14.893 1.00 52.32 O ATOM 691 CB LEU A 45 7.289 20.532 -16.975 1.00 41.00 C ATOM 692 CG LEU A 45 8.299 19.973 -17.977 1.00 73.23 C ATOM 693 CD1 LEU A 45 9.556 20.830 -18.003 1.00 54.53 C ATOM 694 CD2 LEU A 45 8.644 18.529 -17.637 1.00 44.34 C ATOM 0 H LEU A 45 4.508 21.140 -17.499 1.00 25.31 H new ATOM 0 HA LEU A 45 6.135 18.724 -17.099 1.00 31.14 H new ATOM 0 HB2 LEU A 45 7.071 21.565 -17.247 1.00 41.00 H new ATOM 0 HB3 LEU A 45 7.757 20.554 -15.991 1.00 41.00 H new ATOM 0 HG LEU A 45 7.848 19.995 -18.969 1.00 73.23 H new ATOM 0 HD11 LEU A 45 10.263 20.417 -18.722 1.00 54.53 H new ATOM 0 HD12 LEU A 45 9.296 21.848 -18.294 1.00 54.53 H new ATOM 0 HD13 LEU A 45 10.010 20.840 -17.012 1.00 54.53 H new ATOM 0 HD21 LEU A 45 9.364 18.147 -18.361 1.00 44.34 H new ATOM 0 HD22 LEU A 45 9.075 18.484 -16.637 1.00 44.34 H new ATOM 0 HD23 LEU A 45 7.740 17.921 -17.670 1.00 44.34 H new ATOM 706 N TYR A 46 5.163 18.716 -14.833 1.00 52.52 N ATOM 707 CA TYR A 46 4.649 18.668 -13.470 1.00 2.12 C ATOM 708 C TYR A 46 5.620 17.939 -12.546 1.00 14.02 C ATOM 709 O TYR A 46 6.433 17.129 -12.993 1.00 53.04 O ATOM 710 CB TYR A 46 3.284 17.976 -13.441 1.00 23.30 C ATOM 711 CG TYR A 46 2.255 18.632 -14.332 1.00 45.42 C ATOM 712 CD1 TYR A 46 1.501 19.709 -13.881 1.00 44.20 C ATOM 713 CD2 TYR A 46 2.035 18.176 -15.626 1.00 50.23 C ATOM 714 CE1 TYR A 46 0.558 20.311 -14.692 1.00 11.02 C ATOM 715 CE2 TYR A 46 1.096 18.774 -16.444 1.00 12.34 C ATOM 716 CZ TYR A 46 0.359 19.840 -15.973 1.00 61.35 C ATOM 717 OH TYR A 46 -0.579 20.437 -16.785 1.00 34.54 O ATOM 0 H TYR A 46 5.292 17.802 -15.268 1.00 52.52 H new ATOM 0 HA TYR A 46 4.538 19.693 -13.115 1.00 2.12 H new ATOM 0 HB2 TYR A 46 3.406 16.937 -13.745 1.00 23.30 H new ATOM 0 HB3 TYR A 46 2.912 17.967 -12.416 1.00 23.30 H new ATOM 0 HD1 TYR A 46 1.655 20.082 -12.879 1.00 44.20 H new ATOM 0 HD2 TYR A 46 2.608 17.340 -15.999 1.00 50.23 H new ATOM 0 HE1 TYR A 46 -0.020 21.146 -14.325 1.00 11.02 H new ATOM 0 HE2 TYR A 46 0.940 18.408 -17.448 1.00 12.34 H new ATOM 0 HH TYR A 46 -0.593 19.986 -17.655 1.00 34.54 H new ATOM 727 N LYS A 47 5.530 18.231 -11.253 1.00 44.53 N ATOM 728 CA LYS A 47 6.397 17.604 -10.264 1.00 62.21 C ATOM 729 C LYS A 47 5.586 17.078 -9.084 1.00 4.42 C ATOM 730 O LYS A 47 4.901 17.839 -8.400 1.00 54.41 O ATOM 731 CB LYS A 47 7.447 18.602 -9.769 1.00 45.45 C ATOM 732 CG LYS A 47 8.233 18.112 -8.566 1.00 71.13 C ATOM 733 CD LYS A 47 9.630 18.710 -8.533 1.00 65.11 C ATOM 734 CE LYS A 47 9.743 19.803 -7.481 1.00 11.30 C ATOM 735 NZ LYS A 47 11.048 20.516 -7.559 1.00 2.31 N ATOM 0 H LYS A 47 4.864 18.899 -10.866 1.00 44.53 H new ATOM 0 HA LYS A 47 6.900 16.763 -10.741 1.00 62.21 H new ATOM 0 HB2 LYS A 47 8.140 18.820 -10.581 1.00 45.45 H new ATOM 0 HB3 LYS A 47 6.953 19.539 -9.512 1.00 45.45 H new ATOM 0 HG2 LYS A 47 7.702 18.375 -7.651 1.00 71.13 H new ATOM 0 HG3 LYS A 47 8.302 17.025 -8.593 1.00 71.13 H new ATOM 0 HD2 LYS A 47 10.358 17.926 -8.324 1.00 65.11 H new ATOM 0 HD3 LYS A 47 9.875 19.120 -9.513 1.00 65.11 H new ATOM 0 HE2 LYS A 47 8.930 20.518 -7.611 1.00 11.30 H new ATOM 0 HE3 LYS A 47 9.627 19.366 -6.489 1.00 11.30 H new ATOM 0 HZ1 LYS A 47 11.085 21.253 -6.826 1.00 2.31 H new ATOM 0 HZ2 LYS A 47 11.823 19.839 -7.409 1.00 2.31 H new ATOM 0 HZ3 LYS A 47 11.148 20.955 -8.496 1.00 2.31 H new ATOM 749 N ALA A 48 5.670 15.772 -8.850 1.00 2.44 N ATOM 750 CA ALA A 48 4.946 15.146 -7.750 1.00 53.51 C ATOM 751 C ALA A 48 5.385 15.717 -6.407 1.00 63.33 C ATOM 752 O ALA A 48 6.538 15.562 -6.002 1.00 2.00 O ATOM 753 CB ALA A 48 5.149 13.638 -7.777 1.00 63.01 C ATOM 0 H ALA A 48 6.232 15.128 -9.407 1.00 2.44 H new ATOM 0 HA ALA A 48 3.885 15.362 -7.876 1.00 53.51 H new ATOM 0 HB1 ALA A 48 4.603 13.183 -6.951 1.00 63.01 H new ATOM 0 HB2 ALA A 48 4.779 13.238 -8.721 1.00 63.01 H new ATOM 0 HB3 ALA A 48 6.211 13.412 -7.679 1.00 63.01 H new ATOM 759 N LYS A 49 4.461 16.380 -5.721 1.00 25.44 N ATOM 760 CA LYS A 49 4.752 16.975 -4.421 1.00 71.34 C ATOM 761 C LYS A 49 5.191 15.910 -3.421 1.00 45.42 C ATOM 762 O LYS A 49 6.181 16.085 -2.710 1.00 33.24 O ATOM 763 CB LYS A 49 3.522 17.714 -3.889 1.00 65.33 C ATOM 764 CG LYS A 49 2.853 18.604 -4.922 1.00 41.41 C ATOM 765 CD LYS A 49 2.015 19.688 -4.266 1.00 51.54 C ATOM 766 CE LYS A 49 2.126 21.007 -5.016 1.00 25.15 C ATOM 767 NZ LYS A 49 1.550 22.138 -4.236 1.00 43.34 N ATOM 0 H LYS A 49 3.503 16.519 -6.043 1.00 25.44 H new ATOM 0 HA LYS A 49 5.568 17.686 -4.549 1.00 71.34 H new ATOM 0 HB2 LYS A 49 2.798 16.984 -3.527 1.00 65.33 H new ATOM 0 HB3 LYS A 49 3.816 18.322 -3.033 1.00 65.33 H new ATOM 0 HG2 LYS A 49 3.613 19.063 -5.554 1.00 41.41 H new ATOM 0 HG3 LYS A 49 2.221 17.998 -5.571 1.00 41.41 H new ATOM 0 HD2 LYS A 49 0.972 19.373 -4.233 1.00 51.54 H new ATOM 0 HD3 LYS A 49 2.339 19.826 -3.234 1.00 51.54 H new ATOM 0 HE2 LYS A 49 3.174 21.213 -5.235 1.00 25.15 H new ATOM 0 HE3 LYS A 49 1.610 20.925 -5.973 1.00 25.15 H new ATOM 0 HZ1 LYS A 49 1.645 23.019 -4.780 1.00 43.34 H new ATOM 0 HZ2 LYS A 49 0.544 21.953 -4.048 1.00 43.34 H new ATOM 0 HZ3 LYS A 49 2.059 22.232 -3.334 1.00 43.34 H new ATOM 781 N TYR A 50 4.450 14.810 -3.372 1.00 54.33 N ATOM 782 CA TYR A 50 4.762 13.717 -2.459 1.00 61.11 C ATOM 783 C TYR A 50 4.447 12.367 -3.096 1.00 73.04 C ATOM 784 O TYR A 50 3.862 12.300 -4.177 1.00 3.14 O ATOM 785 CB TYR A 50 3.977 13.875 -1.156 1.00 3.15 C ATOM 786 CG TYR A 50 2.520 13.490 -1.277 1.00 2.55 C ATOM 787 CD1 TYR A 50 1.679 14.145 -2.168 1.00 14.14 C ATOM 788 CD2 TYR A 50 1.984 12.470 -0.500 1.00 12.33 C ATOM 789 CE1 TYR A 50 0.347 13.797 -2.281 1.00 70.44 C ATOM 790 CE2 TYR A 50 0.653 12.115 -0.607 1.00 35.02 C ATOM 791 CZ TYR A 50 -0.162 12.781 -1.499 1.00 73.34 C ATOM 792 OH TYR A 50 -1.487 12.430 -1.610 1.00 5.33 O ATOM 0 H TYR A 50 3.628 14.651 -3.954 1.00 54.33 H new ATOM 0 HA TYR A 50 5.829 13.753 -2.240 1.00 61.11 H new ATOM 0 HB2 TYR A 50 4.443 13.263 -0.384 1.00 3.15 H new ATOM 0 HB3 TYR A 50 4.044 14.911 -0.824 1.00 3.15 H new ATOM 0 HD1 TYR A 50 2.074 14.940 -2.783 1.00 14.14 H new ATOM 0 HD2 TYR A 50 2.619 11.946 0.199 1.00 12.33 H new ATOM 0 HE1 TYR A 50 -0.293 14.318 -2.978 1.00 70.44 H new ATOM 0 HE2 TYR A 50 0.253 11.320 0.005 1.00 35.02 H new ATOM 0 HH TYR A 50 -1.684 11.697 -0.991 1.00 5.33 H new ATOM 802 N TRP A 51 4.841 11.295 -2.418 1.00 10.33 N ATOM 803 CA TRP A 51 4.601 9.946 -2.916 1.00 2.14 C ATOM 804 C TRP A 51 3.138 9.761 -3.305 1.00 51.12 C ATOM 805 O TRP A 51 2.249 9.789 -2.453 1.00 61.21 O ATOM 806 CB TRP A 51 4.994 8.913 -1.860 1.00 12.25 C ATOM 807 CG TRP A 51 5.632 7.685 -2.437 1.00 11.51 C ATOM 808 CD1 TRP A 51 6.895 7.580 -2.946 1.00 41.35 C ATOM 809 CD2 TRP A 51 5.036 6.390 -2.568 1.00 72.10 C ATOM 810 NE1 TRP A 51 7.121 6.298 -3.384 1.00 15.33 N ATOM 811 CE2 TRP A 51 5.996 5.548 -3.163 1.00 3.13 C ATOM 812 CE3 TRP A 51 3.787 5.859 -2.237 1.00 54.32 C ATOM 813 CZ2 TRP A 51 5.742 4.206 -3.434 1.00 74.13 C ATOM 814 CZ3 TRP A 51 3.536 4.527 -2.508 1.00 61.23 C ATOM 815 CH2 TRP A 51 4.510 3.712 -3.101 1.00 22.33 C ATOM 0 H TRP A 51 5.328 11.334 -1.522 1.00 10.33 H new ATOM 0 HA TRP A 51 5.215 9.799 -3.804 1.00 2.14 H new ATOM 0 HB2 TRP A 51 5.683 9.373 -1.151 1.00 12.25 H new ATOM 0 HB3 TRP A 51 4.106 8.622 -1.298 1.00 12.25 H new ATOM 0 HD1 TRP A 51 7.611 8.387 -2.997 1.00 41.35 H new ATOM 0 HE1 TRP A 51 7.986 5.959 -3.805 1.00 15.33 H new ATOM 0 HE3 TRP A 51 3.031 6.478 -1.777 1.00 54.32 H new ATOM 0 HZ2 TRP A 51 6.491 3.577 -3.891 1.00 74.13 H new ATOM 0 HZ3 TRP A 51 2.573 4.107 -2.259 1.00 61.23 H new ATOM 0 HH2 TRP A 51 4.284 2.675 -3.299 1.00 22.33 H new ATOM 826 N THR A 52 2.893 9.571 -4.599 1.00 23.43 N ATOM 827 CA THR A 52 1.537 9.383 -5.100 1.00 74.34 C ATOM 828 C THR A 52 1.548 8.737 -6.480 1.00 3.44 C ATOM 829 O THR A 52 2.522 8.850 -7.224 1.00 22.11 O ATOM 830 CB THR A 52 0.777 10.720 -5.177 1.00 1.43 C ATOM 831 OG1 THR A 52 0.976 11.468 -3.971 1.00 53.44 O ATOM 832 CG2 THR A 52 -0.711 10.484 -5.393 1.00 71.50 C ATOM 0 H THR A 52 3.616 9.543 -5.318 1.00 23.43 H new ATOM 0 HA THR A 52 1.027 8.724 -4.397 1.00 74.34 H new ATOM 0 HB THR A 52 1.167 11.286 -6.023 1.00 1.43 H new ATOM 0 HG1 THR A 52 0.234 12.097 -3.850 1.00 53.44 H new ATOM 0 HG21 THR A 52 -1.228 11.442 -5.444 1.00 71.50 H new ATOM 0 HG22 THR A 52 -0.862 9.940 -6.326 1.00 71.50 H new ATOM 0 HG23 THR A 52 -1.111 9.900 -4.564 1.00 71.50 H new ATOM 840 N THR A 53 0.455 8.058 -6.819 1.00 5.04 N ATOM 841 CA THR A 53 0.338 7.392 -8.110 1.00 43.23 C ATOM 842 C THR A 53 -0.963 7.772 -8.807 1.00 51.14 C ATOM 843 O THR A 53 -2.045 7.348 -8.400 1.00 34.43 O ATOM 844 CB THR A 53 0.399 5.861 -7.960 1.00 12.15 C ATOM 845 OG1 THR A 53 -0.765 5.388 -7.272 1.00 41.35 O ATOM 846 CG2 THR A 53 1.648 5.441 -7.200 1.00 51.35 C ATOM 0 H THR A 53 -0.362 7.955 -6.216 1.00 5.04 H new ATOM 0 HA THR A 53 1.182 7.723 -8.715 1.00 43.23 H new ATOM 0 HB THR A 53 0.434 5.422 -8.957 1.00 12.15 H new ATOM 0 HG1 THR A 53 -1.454 6.085 -7.277 1.00 41.35 H new ATOM 0 HG21 THR A 53 1.669 4.355 -7.107 1.00 51.35 H new ATOM 0 HG22 THR A 53 2.533 5.776 -7.741 1.00 51.35 H new ATOM 0 HG23 THR A 53 1.638 5.891 -6.207 1.00 51.35 H new ATOM 854 N SER A 54 -0.851 8.573 -9.863 1.00 2.22 N ATOM 855 CA SER A 54 -2.021 9.012 -10.616 1.00 53.33 C ATOM 856 C SER A 54 -1.617 9.959 -11.742 1.00 14.31 C ATOM 857 O SER A 54 -0.620 10.676 -11.657 1.00 3.25 O ATOM 858 CB SER A 54 -3.022 9.702 -9.688 1.00 21.22 C ATOM 859 OG SER A 54 -4.256 9.006 -9.660 1.00 55.15 O ATOM 0 H SER A 54 0.037 8.931 -10.216 1.00 2.22 H new ATOM 0 HA SER A 54 -2.491 8.132 -11.055 1.00 53.33 H new ATOM 0 HB2 SER A 54 -2.610 9.758 -8.681 1.00 21.22 H new ATOM 0 HB3 SER A 54 -3.186 10.726 -10.023 1.00 21.22 H new ATOM 0 HG SER A 54 -4.125 8.125 -9.252 1.00 55.15 H new ATOM 865 N PRO A 55 -2.409 9.961 -12.824 1.00 41.42 N ATOM 866 CA PRO A 55 -2.156 10.814 -13.989 1.00 62.25 C ATOM 867 C PRO A 55 -2.395 12.290 -13.690 1.00 1.11 C ATOM 868 O PRO A 55 -3.216 12.651 -12.846 1.00 43.24 O ATOM 869 CB PRO A 55 -3.163 10.309 -15.025 1.00 34.12 C ATOM 870 CG PRO A 55 -4.264 9.708 -14.221 1.00 72.23 C ATOM 871 CD PRO A 55 -3.614 9.131 -12.995 1.00 14.24 C ATOM 0 HA PRO A 55 -1.119 10.755 -14.319 1.00 62.25 H new ATOM 0 HB2 PRO A 55 -3.529 11.123 -15.651 1.00 34.12 H new ATOM 0 HB3 PRO A 55 -2.711 9.573 -15.690 1.00 34.12 H new ATOM 0 HG2 PRO A 55 -5.006 10.460 -13.952 1.00 72.23 H new ATOM 0 HG3 PRO A 55 -4.784 8.935 -14.787 1.00 72.23 H new ATOM 0 HD2 PRO A 55 -4.270 9.191 -12.126 1.00 14.24 H new ATOM 0 HD3 PRO A 55 -3.361 8.079 -13.131 1.00 14.24 H new ATOM 879 N PRO A 56 -1.663 13.164 -14.395 1.00 42.43 N ATOM 880 CA PRO A 56 -1.780 14.615 -14.223 1.00 23.42 C ATOM 881 C PRO A 56 -3.107 15.157 -14.743 1.00 52.53 C ATOM 882 O PRO A 56 -3.539 14.815 -15.844 1.00 53.42 O ATOM 883 CB PRO A 56 -0.616 15.166 -15.051 1.00 43.32 C ATOM 884 CG PRO A 56 -0.353 14.119 -16.078 1.00 33.33 C ATOM 885 CD PRO A 56 -0.666 12.804 -15.417 1.00 24.22 C ATOM 0 HA PRO A 56 -1.748 14.904 -13.172 1.00 23.42 H new ATOM 0 HB2 PRO A 56 -0.875 16.118 -15.514 1.00 43.32 H new ATOM 0 HB3 PRO A 56 0.263 15.342 -14.431 1.00 43.32 H new ATOM 0 HG2 PRO A 56 -0.976 14.271 -16.959 1.00 33.33 H new ATOM 0 HG3 PRO A 56 0.684 14.151 -16.412 1.00 33.33 H new ATOM 0 HD2 PRO A 56 -1.064 12.081 -16.129 1.00 24.22 H new ATOM 0 HD3 PRO A 56 0.223 12.357 -14.971 1.00 24.22 H new ATOM 893 N SER A 57 -3.750 16.002 -13.945 1.00 43.33 N ATOM 894 CA SER A 57 -5.031 16.588 -14.324 1.00 51.35 C ATOM 895 C SER A 57 -5.588 17.453 -13.198 1.00 62.44 C ATOM 896 O SER A 57 -5.525 18.682 -13.255 1.00 32.02 O ATOM 897 CB SER A 57 -6.033 15.489 -14.682 1.00 23.41 C ATOM 898 OG SER A 57 -6.210 15.397 -16.084 1.00 10.34 O ATOM 0 H SER A 57 -3.405 16.297 -13.031 1.00 43.33 H new ATOM 0 HA SER A 57 -4.869 17.220 -15.197 1.00 51.35 H new ATOM 0 HB2 SER A 57 -5.683 14.533 -14.293 1.00 23.41 H new ATOM 0 HB3 SER A 57 -6.991 15.696 -14.204 1.00 23.41 H new ATOM 0 HG SER A 57 -5.357 15.166 -16.507 1.00 10.34 H new ATOM 904 N ASP A 58 -6.132 16.804 -12.175 1.00 60.32 N ATOM 905 CA ASP A 58 -6.699 17.512 -11.034 1.00 42.42 C ATOM 906 C ASP A 58 -6.256 16.873 -9.722 1.00 71.40 C ATOM 907 O ASP A 58 -6.756 15.817 -9.335 1.00 31.33 O ATOM 908 CB ASP A 58 -8.226 17.522 -11.120 1.00 72.15 C ATOM 909 CG ASP A 58 -8.739 18.454 -12.200 1.00 64.31 C ATOM 910 OD1 ASP A 58 -8.519 19.678 -12.080 1.00 64.25 O ATOM 911 OD2 ASP A 58 -9.360 17.962 -13.164 1.00 13.24 O ATOM 0 H ASP A 58 -6.192 15.788 -12.113 1.00 60.32 H new ATOM 0 HA ASP A 58 -6.334 18.539 -11.058 1.00 42.42 H new ATOM 0 HB2 ASP A 58 -8.582 16.511 -11.317 1.00 72.15 H new ATOM 0 HB3 ASP A 58 -8.639 17.824 -10.158 1.00 72.15 H new ATOM 916 N ASP A 59 -5.313 17.518 -9.044 1.00 61.30 N ATOM 917 CA ASP A 59 -4.801 17.013 -7.776 1.00 4.12 C ATOM 918 C ASP A 59 -5.134 17.970 -6.635 1.00 41.20 C ATOM 919 O ASP A 59 -4.322 18.806 -6.236 1.00 35.01 O ATOM 920 CB ASP A 59 -3.288 16.805 -7.858 1.00 53.21 C ATOM 921 CG ASP A 59 -2.885 15.958 -9.050 1.00 24.44 C ATOM 922 OD1 ASP A 59 -3.022 14.719 -8.971 1.00 52.15 O ATOM 923 OD2 ASP A 59 -2.433 16.536 -10.061 1.00 34.34 O ATOM 0 H ASP A 59 -4.888 18.392 -9.352 1.00 61.30 H new ATOM 0 HA ASP A 59 -5.281 16.055 -7.575 1.00 4.12 H new ATOM 0 HB2 ASP A 59 -2.794 17.774 -7.921 1.00 53.21 H new ATOM 0 HB3 ASP A 59 -2.939 16.328 -6.942 1.00 53.21 H new ATOM 928 N PRO A 60 -6.356 17.848 -6.098 1.00 3.33 N ATOM 929 CA PRO A 60 -6.825 18.695 -4.996 1.00 11.24 C ATOM 930 C PRO A 60 -6.111 18.387 -3.685 1.00 31.03 C ATOM 931 O PRO A 60 -6.263 19.110 -2.699 1.00 50.34 O ATOM 932 CB PRO A 60 -8.312 18.348 -4.890 1.00 12.03 C ATOM 933 CG PRO A 60 -8.420 16.969 -5.446 1.00 5.53 C ATOM 934 CD PRO A 60 -7.376 16.874 -6.524 1.00 64.21 C ATOM 0 HA PRO A 60 -6.632 19.751 -5.183 1.00 11.24 H new ATOM 0 HB2 PRO A 60 -8.655 18.386 -3.856 1.00 12.03 H new ATOM 0 HB3 PRO A 60 -8.924 19.052 -5.455 1.00 12.03 H new ATOM 0 HG2 PRO A 60 -8.250 16.221 -4.671 1.00 5.53 H new ATOM 0 HG3 PRO A 60 -9.416 16.788 -5.850 1.00 5.53 H new ATOM 0 HD2 PRO A 60 -6.965 15.867 -6.597 1.00 64.21 H new ATOM 0 HD3 PRO A 60 -7.785 17.123 -7.503 1.00 64.21 H new ATOM 942 N TYR A 61 -5.333 17.311 -3.679 1.00 20.55 N ATOM 943 CA TYR A 61 -4.596 16.907 -2.487 1.00 13.25 C ATOM 944 C TYR A 61 -3.124 17.289 -2.601 1.00 34.12 C ATOM 945 O TYR A 61 -2.286 16.812 -1.836 1.00 0.52 O ATOM 946 CB TYR A 61 -4.728 15.399 -2.267 1.00 2.30 C ATOM 947 CG TYR A 61 -4.913 14.615 -3.546 1.00 54.21 C ATOM 948 CD1 TYR A 61 -6.176 14.435 -4.099 1.00 34.52 C ATOM 949 CD2 TYR A 61 -3.825 14.051 -4.203 1.00 62.14 C ATOM 950 CE1 TYR A 61 -6.349 13.718 -5.266 1.00 50.25 C ATOM 951 CE2 TYR A 61 -3.990 13.335 -5.373 1.00 60.40 C ATOM 952 CZ TYR A 61 -5.253 13.171 -5.900 1.00 51.04 C ATOM 953 OH TYR A 61 -5.420 12.457 -7.065 1.00 3.21 O ATOM 0 H TYR A 61 -5.196 16.702 -4.486 1.00 20.55 H new ATOM 0 HA TYR A 61 -5.023 17.431 -1.632 1.00 13.25 H new ATOM 0 HB2 TYR A 61 -3.838 15.036 -1.754 1.00 2.30 H new ATOM 0 HB3 TYR A 61 -5.576 15.209 -1.608 1.00 2.30 H new ATOM 0 HD1 TYR A 61 -7.037 14.864 -3.607 1.00 34.52 H new ATOM 0 HD2 TYR A 61 -2.834 14.175 -3.792 1.00 62.14 H new ATOM 0 HE1 TYR A 61 -7.338 13.586 -5.680 1.00 50.25 H new ATOM 0 HE2 TYR A 61 -3.134 12.906 -5.872 1.00 60.40 H new ATOM 0 HH TYR A 61 -4.548 12.141 -7.383 1.00 3.21 H new ATOM 963 N GLY A 62 -2.816 18.153 -3.563 1.00 20.32 N ATOM 964 CA GLY A 62 -1.445 18.586 -3.760 1.00 60.53 C ATOM 965 C GLY A 62 -0.515 17.435 -4.088 1.00 52.44 C ATOM 966 O GLY A 62 0.534 17.277 -3.463 1.00 54.52 O ATOM 0 H GLY A 62 -3.491 18.561 -4.209 1.00 20.32 H new ATOM 0 HA2 GLY A 62 -1.411 19.318 -4.567 1.00 60.53 H new ATOM 0 HA3 GLY A 62 -1.093 19.088 -2.859 1.00 60.53 H new ATOM 970 N SER A 63 -0.900 16.628 -5.071 1.00 51.50 N ATOM 971 CA SER A 63 -0.096 15.481 -5.479 1.00 21.35 C ATOM 972 C SER A 63 0.884 15.869 -6.581 1.00 53.54 C ATOM 973 O SER A 63 1.912 15.218 -6.771 1.00 65.23 O ATOM 974 CB SER A 63 -0.998 14.343 -5.960 1.00 50.42 C ATOM 975 OG SER A 63 -0.454 13.710 -7.106 1.00 23.42 O ATOM 0 H SER A 63 -1.764 16.747 -5.600 1.00 51.50 H new ATOM 0 HA SER A 63 0.473 15.142 -4.613 1.00 21.35 H new ATOM 0 HB2 SER A 63 -1.123 13.612 -5.162 1.00 50.42 H new ATOM 0 HB3 SER A 63 -1.989 14.734 -6.192 1.00 50.42 H new ATOM 0 HG SER A 63 -0.565 14.293 -7.886 1.00 23.42 H new ATOM 981 N TRP A 64 0.558 16.934 -7.305 1.00 71.44 N ATOM 982 CA TRP A 64 1.410 17.410 -8.390 1.00 51.34 C ATOM 983 C TRP A 64 1.616 18.918 -8.300 1.00 24.14 C ATOM 984 O TRP A 64 0.818 19.625 -7.686 1.00 24.44 O ATOM 985 CB TRP A 64 0.796 17.047 -9.744 1.00 30.44 C ATOM 986 CG TRP A 64 1.043 15.624 -10.145 1.00 42.23 C ATOM 987 CD1 TRP A 64 0.156 14.587 -10.074 1.00 23.22 C ATOM 988 CD2 TRP A 64 2.256 15.081 -10.678 1.00 44.22 C ATOM 989 NE1 TRP A 64 0.745 13.434 -10.531 1.00 32.24 N ATOM 990 CE2 TRP A 64 2.033 13.710 -10.908 1.00 0.23 C ATOM 991 CE3 TRP A 64 3.507 15.621 -10.986 1.00 62.32 C ATOM 992 CZ2 TRP A 64 3.016 12.873 -11.429 1.00 61.34 C ATOM 993 CZ3 TRP A 64 4.483 14.789 -11.503 1.00 64.11 C ATOM 994 CH2 TRP A 64 4.233 13.428 -11.721 1.00 23.44 C ATOM 0 H TRP A 64 -0.289 17.484 -7.161 1.00 71.44 H new ATOM 0 HA TRP A 64 2.381 16.924 -8.296 1.00 51.34 H new ATOM 0 HB2 TRP A 64 -0.279 17.225 -9.707 1.00 30.44 H new ATOM 0 HB3 TRP A 64 1.203 17.709 -10.509 1.00 30.44 H new ATOM 0 HD1 TRP A 64 -0.859 14.663 -9.712 1.00 23.22 H new ATOM 0 HE1 TRP A 64 0.296 12.519 -10.582 1.00 32.24 H new ATOM 0 HE3 TRP A 64 3.708 16.670 -10.823 1.00 62.32 H new ATOM 0 HZ2 TRP A 64 2.825 11.823 -11.597 1.00 61.34 H new ATOM 0 HZ3 TRP A 64 5.454 15.195 -11.743 1.00 64.11 H new ATOM 0 HH2 TRP A 64 5.016 12.804 -12.127 1.00 23.44 H new ATOM 1005 N GLU A 65 2.690 19.403 -8.914 1.00 31.13 N ATOM 1006 CA GLU A 65 3.000 20.828 -8.900 1.00 14.22 C ATOM 1007 C GLU A 65 3.551 21.277 -10.250 1.00 72.21 C ATOM 1008 O GLU A 65 4.605 20.814 -10.688 1.00 14.25 O ATOM 1009 CB GLU A 65 4.009 21.143 -7.793 1.00 15.54 C ATOM 1010 CG GLU A 65 3.943 22.578 -7.302 1.00 62.51 C ATOM 1011 CD GLU A 65 5.100 22.935 -6.387 1.00 52.32 C ATOM 1012 OE1 GLU A 65 5.209 22.324 -5.304 1.00 14.55 O ATOM 1013 OE2 GLU A 65 5.895 23.825 -6.755 1.00 44.23 O ATOM 0 H GLU A 65 3.360 18.831 -9.427 1.00 31.13 H new ATOM 0 HA GLU A 65 2.077 21.373 -8.704 1.00 14.22 H new ATOM 0 HB2 GLU A 65 3.835 20.472 -6.952 1.00 15.54 H new ATOM 0 HB3 GLU A 65 5.015 20.939 -8.161 1.00 15.54 H new ATOM 0 HG2 GLU A 65 3.941 23.252 -8.159 1.00 62.51 H new ATOM 0 HG3 GLU A 65 3.004 22.734 -6.772 1.00 62.51 H new ATOM 1020 N TYR A 66 2.832 22.182 -10.904 1.00 60.31 N ATOM 1021 CA TYR A 66 3.247 22.693 -12.205 1.00 33.42 C ATOM 1022 C TYR A 66 4.448 23.624 -12.068 1.00 22.54 C ATOM 1023 O TYR A 66 4.340 24.718 -11.510 1.00 22.45 O ATOM 1024 CB TYR A 66 2.090 23.431 -12.880 1.00 30.40 C ATOM 1025 CG TYR A 66 2.518 24.285 -14.052 1.00 13.15 C ATOM 1026 CD1 TYR A 66 2.906 25.606 -13.871 1.00 62.00 C ATOM 1027 CD2 TYR A 66 2.535 23.768 -15.343 1.00 22.13 C ATOM 1028 CE1 TYR A 66 3.296 26.390 -14.940 1.00 21.55 C ATOM 1029 CE2 TYR A 66 2.925 24.544 -16.417 1.00 25.33 C ATOM 1030 CZ TYR A 66 3.304 25.854 -16.211 1.00 21.33 C ATOM 1031 OH TYR A 66 3.694 26.631 -17.277 1.00 13.42 O ATOM 0 H TYR A 66 1.959 22.577 -10.555 1.00 60.31 H new ATOM 0 HA TYR A 66 3.538 21.844 -12.824 1.00 33.42 H new ATOM 0 HB2 TYR A 66 1.355 22.702 -13.222 1.00 30.40 H new ATOM 0 HB3 TYR A 66 1.594 24.063 -12.143 1.00 30.40 H new ATOM 0 HD1 TYR A 66 2.903 26.028 -12.877 1.00 62.00 H new ATOM 0 HD2 TYR A 66 2.238 22.743 -15.508 1.00 22.13 H new ATOM 0 HE1 TYR A 66 3.593 27.416 -14.781 1.00 21.55 H new ATOM 0 HE2 TYR A 66 2.933 24.127 -17.413 1.00 25.33 H new ATOM 0 HH TYR A 66 3.644 26.104 -18.102 1.00 13.42 H new ATOM 1041 N LEU A 67 5.592 23.184 -12.579 1.00 22.20 N ATOM 1042 CA LEU A 67 6.814 23.977 -12.515 1.00 75.20 C ATOM 1043 C LEU A 67 7.105 24.640 -13.857 1.00 30.22 C ATOM 1044 O LEU A 67 7.982 25.497 -13.961 1.00 43.44 O ATOM 1045 CB LEU A 67 7.995 23.097 -12.102 1.00 34.53 C ATOM 1046 CG LEU A 67 7.700 22.025 -11.052 1.00 53.21 C ATOM 1047 CD1 LEU A 67 8.967 21.263 -10.694 1.00 44.31 C ATOM 1048 CD2 LEU A 67 7.084 22.652 -9.810 1.00 11.52 C ATOM 0 H LEU A 67 5.699 22.282 -13.043 1.00 22.20 H new ATOM 0 HA LEU A 67 6.671 24.758 -11.768 1.00 75.20 H new ATOM 0 HB2 LEU A 67 8.385 22.606 -12.993 1.00 34.53 H new ATOM 0 HB3 LEU A 67 8.787 23.742 -11.721 1.00 34.53 H new ATOM 0 HG LEU A 67 6.984 21.319 -11.473 1.00 53.21 H new ATOM 0 HD11 LEU A 67 8.736 20.505 -9.946 1.00 44.31 H new ATOM 0 HD12 LEU A 67 9.367 20.782 -11.587 1.00 44.31 H new ATOM 0 HD13 LEU A 67 9.707 21.956 -10.293 1.00 44.31 H new ATOM 0 HD21 LEU A 67 6.880 21.875 -9.073 1.00 11.52 H new ATOM 0 HD22 LEU A 67 7.777 23.380 -9.388 1.00 11.52 H new ATOM 0 HD23 LEU A 67 6.153 23.151 -10.078 1.00 11.52 H new ATOM 1060 N GLY A 68 6.361 24.238 -14.883 1.00 65.24 N ATOM 1061 CA GLY A 68 6.553 24.806 -16.205 1.00 3.42 C ATOM 1062 C GLY A 68 6.004 23.916 -17.303 1.00 13.41 C ATOM 1063 O GLY A 68 5.273 22.965 -17.031 1.00 0.51 O ATOM 0 H GLY A 68 5.629 23.530 -14.823 1.00 65.24 H new ATOM 0 HA2 GLY A 68 6.066 25.780 -16.253 1.00 3.42 H new ATOM 0 HA3 GLY A 68 7.617 24.973 -16.375 1.00 3.42 H new ATOM 1067 N GLU A 69 6.358 24.226 -18.547 1.00 30.45 N ATOM 1068 CA GLU A 69 5.894 23.447 -19.689 1.00 12.02 C ATOM 1069 C GLU A 69 7.072 22.930 -20.509 1.00 11.45 C ATOM 1070 O GLU A 69 8.178 23.463 -20.432 1.00 51.12 O ATOM 1071 CB GLU A 69 4.976 24.294 -20.573 1.00 64.32 C ATOM 1072 CG GLU A 69 3.517 23.871 -20.518 1.00 72.12 C ATOM 1073 CD GLU A 69 2.580 24.935 -21.057 1.00 73.41 C ATOM 1074 OE1 GLU A 69 2.154 25.804 -20.269 1.00 21.32 O ATOM 1075 OE2 GLU A 69 2.274 24.896 -22.267 1.00 31.20 O ATOM 0 H GLU A 69 6.964 25.010 -18.789 1.00 30.45 H new ATOM 0 HA GLU A 69 5.334 22.592 -19.310 1.00 12.02 H new ATOM 0 HB2 GLU A 69 5.055 25.338 -20.269 1.00 64.32 H new ATOM 0 HB3 GLU A 69 5.324 24.236 -21.604 1.00 64.32 H new ATOM 0 HG2 GLU A 69 3.387 22.953 -21.092 1.00 72.12 H new ATOM 0 HG3 GLU A 69 3.247 23.643 -19.487 1.00 72.12 H new ATOM 1082 N ALA A 70 6.824 21.885 -21.293 1.00 74.42 N ATOM 1083 CA ALA A 70 7.863 21.296 -22.129 1.00 34.31 C ATOM 1084 C ALA A 70 8.324 22.274 -23.205 1.00 14.11 C ATOM 1085 O ALA A 70 9.478 22.244 -23.630 1.00 4.32 O ATOM 1086 CB ALA A 70 7.362 20.006 -22.764 1.00 61.44 C ATOM 0 H ALA A 70 5.914 21.430 -21.366 1.00 74.42 H new ATOM 0 HA ALA A 70 8.719 21.067 -21.494 1.00 34.31 H new ATOM 0 HB1 ALA A 70 8.148 19.577 -23.385 1.00 61.44 H new ATOM 0 HB2 ALA A 70 7.090 19.297 -21.982 1.00 61.44 H new ATOM 0 HB3 ALA A 70 6.488 20.219 -23.380 1.00 61.44 H new ATOM 1092 N GLU A 71 7.412 23.137 -23.642 1.00 14.31 N ATOM 1093 CA GLU A 71 7.726 24.122 -24.670 1.00 2.10 C ATOM 1094 C GLU A 71 7.568 25.541 -24.130 1.00 40.34 C ATOM 1095 O GLU A 71 6.458 26.040 -23.941 1.00 72.12 O ATOM 1096 CB GLU A 71 6.822 23.925 -25.889 1.00 53.01 C ATOM 1097 CG GLU A 71 7.494 23.181 -27.031 1.00 35.52 C ATOM 1098 CD GLU A 71 7.122 23.739 -28.390 1.00 34.20 C ATOM 1099 OE1 GLU A 71 5.938 24.079 -28.588 1.00 4.43 O ATOM 1100 OE2 GLU A 71 8.016 23.836 -29.257 1.00 24.41 O ATOM 0 H GLU A 71 6.451 23.174 -23.301 1.00 14.31 H new ATOM 0 HA GLU A 71 8.764 23.979 -24.969 1.00 2.10 H new ATOM 0 HB2 GLU A 71 5.930 23.377 -25.585 1.00 53.01 H new ATOM 0 HB3 GLU A 71 6.491 24.900 -26.247 1.00 53.01 H new ATOM 0 HG2 GLU A 71 8.576 23.231 -26.906 1.00 35.52 H new ATOM 0 HG3 GLU A 71 7.216 22.128 -26.987 1.00 35.52 H new ATOM 1107 N PRO A 72 8.704 26.207 -23.875 1.00 13.42 N ATOM 1108 CA PRO A 72 8.719 27.576 -23.354 1.00 41.11 C ATOM 1109 C PRO A 72 8.239 28.594 -24.383 1.00 31.13 C ATOM 1110 O PRO A 72 8.585 28.511 -25.562 1.00 63.12 O ATOM 1111 CB PRO A 72 10.194 27.812 -23.017 1.00 20.02 C ATOM 1112 CG PRO A 72 10.939 26.882 -23.913 1.00 25.42 C ATOM 1113 CD PRO A 72 10.061 25.673 -24.077 1.00 60.32 C ATOM 0 HA PRO A 72 8.049 27.695 -22.503 1.00 41.11 H new ATOM 0 HB2 PRO A 72 10.480 28.848 -23.195 1.00 20.02 H new ATOM 0 HB3 PRO A 72 10.399 27.601 -21.968 1.00 20.02 H new ATOM 0 HG2 PRO A 72 11.144 27.349 -24.876 1.00 25.42 H new ATOM 0 HG3 PRO A 72 11.901 26.610 -23.479 1.00 25.42 H new ATOM 0 HD2 PRO A 72 10.174 25.225 -25.064 1.00 60.32 H new ATOM 0 HD3 PRO A 72 10.301 24.900 -23.347 1.00 60.32 H new ATOM 1121 N THR A 73 7.440 29.555 -23.931 1.00 60.30 N ATOM 1122 CA THR A 73 6.912 30.589 -24.812 1.00 14.11 C ATOM 1123 C THR A 73 7.943 31.685 -25.053 1.00 62.10 C ATOM 1124 O THR A 73 8.906 31.822 -24.299 1.00 45.04 O ATOM 1125 CB THR A 73 5.632 31.221 -24.233 1.00 53.31 C ATOM 1126 OG1 THR A 73 5.020 30.322 -23.301 1.00 62.44 O ATOM 1127 CG2 THR A 73 4.646 31.558 -25.342 1.00 61.21 C ATOM 0 H THR A 73 7.144 29.639 -22.958 1.00 60.30 H new ATOM 0 HA THR A 73 6.673 30.105 -25.759 1.00 14.11 H new ATOM 0 HB THR A 73 5.908 32.143 -23.721 1.00 53.31 H new ATOM 0 HG1 THR A 73 4.208 30.732 -22.936 1.00 62.44 H new ATOM 0 HG21 THR A 73 3.750 32.003 -24.909 1.00 61.21 H new ATOM 0 HG22 THR A 73 5.104 32.265 -26.034 1.00 61.21 H new ATOM 0 HG23 THR A 73 4.377 30.648 -25.878 1.00 61.21 H new TER 1135 THR A 73