USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 652 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 2 CYS SG : rot 180:sc= 0 USER MOD Set 1.2: A 4 HIS : no HD1:sc= 0.0122 X(o=0.026,f=-0.018) USER MOD Set 1.3: A 66 THR OG1 : rot 149:sc= 0.014 USER MOD Single : A 1 LEU N :NH3+ -149:sc= 0.00847 (180deg=-0.361) USER MOD Single : A 7 SER OG : rot 180:sc= 0.0415 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.404 X(o=-0.4,f=-0.019) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 63:sc= 1 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc=-0.00776 X(o=-0.0078,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.652 X(o=-0.65,f=-0.78) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -40:sc= -0.164 USER MOD Single : A 57 SER OG : rot -23:sc= 0.208 USER MOD Single : A 58 SER OG : rot -45:sc= 0.104 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.109 K(o=-0.11,f=-1.2) USER MOD Single : A 70 THR OG1 : rot 12:sc= 1.11 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ -171:sc= -0.0057 (180deg=-0.0983) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.904 44.925 -0.488 1.00 0.00 N ATOM 2 CA LEU A 1 2.882 44.934 -1.605 1.00 0.00 C ATOM 3 C LEU A 1 2.550 43.807 -2.597 1.00 0.00 C ATOM 4 O LEU A 1 1.482 43.216 -2.471 1.00 0.00 O ATOM 5 CB LEU A 1 4.359 44.877 -1.094 1.00 0.00 C ATOM 6 CG LEU A 1 4.667 45.671 0.193 1.00 0.00 C ATOM 7 CD1 LEU A 1 6.125 45.474 0.620 1.00 0.00 C ATOM 8 CD2 LEU A 1 4.387 47.157 0.011 1.00 0.00 C ATOM 0 H1 LEU A 1 1.769 45.895 -0.137 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.995 44.550 -0.826 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.262 44.324 0.282 1.00 0.00 H new ATOM 0 HA LEU A 1 2.797 45.882 -2.136 1.00 0.00 H new ATOM 0 HB2 LEU A 1 4.622 43.833 -0.924 1.00 0.00 H new ATOM 0 HB3 LEU A 1 5.010 45.245 -1.887 1.00 0.00 H new ATOM 0 HG LEU A 1 4.010 45.286 0.973 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.318 46.043 1.529 1.00 0.00 H new ATOM 0 HD12 LEU A 1 6.309 44.416 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.787 45.822 -0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 1 4.615 47.686 0.936 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.009 47.549 -0.794 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.336 47.301 -0.240 1.00 0.00 H new ATOM 22 N CYS A 2 3.514 43.353 -3.389 1.00 0.00 N ATOM 23 CA CYS A 2 3.379 42.168 -4.230 1.00 0.00 C ATOM 24 C CYS A 2 4.711 41.423 -4.254 1.00 0.00 C ATOM 25 O CYS A 2 5.798 42.003 -4.167 1.00 0.00 O ATOM 26 CB CYS A 2 2.895 42.513 -5.662 1.00 0.00 C ATOM 27 SG CYS A 2 3.977 43.692 -6.524 1.00 0.00 S ATOM 0 H CYS A 2 4.426 43.804 -3.467 1.00 0.00 H new ATOM 0 HA CYS A 2 2.610 41.525 -3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 2 2.831 41.595 -6.247 1.00 0.00 H new ATOM 0 HB3 CYS A 2 1.888 42.928 -5.608 1.00 0.00 H new ATOM 0 HG CYS A 2 3.505 43.925 -7.713 1.00 0.00 H new ATOM 33 N VAL A 3 4.591 40.102 -4.422 1.00 0.00 N ATOM 34 CA VAL A 3 5.707 39.163 -4.461 1.00 0.00 C ATOM 35 C VAL A 3 5.551 38.362 -5.752 1.00 0.00 C ATOM 36 O VAL A 3 4.434 38.066 -6.181 1.00 0.00 O ATOM 37 CB VAL A 3 5.781 38.193 -3.238 1.00 0.00 C ATOM 38 CG1 VAL A 3 6.557 38.836 -2.086 1.00 0.00 C ATOM 39 CG2 VAL A 3 4.426 37.722 -2.687 1.00 0.00 C ATOM 0 H VAL A 3 3.685 39.647 -4.538 1.00 0.00 H new ATOM 0 HA VAL A 3 6.636 39.732 -4.420 1.00 0.00 H new ATOM 0 HB VAL A 3 6.287 37.312 -3.632 1.00 0.00 H new ATOM 0 HG11 VAL A 3 6.597 38.145 -1.244 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.570 39.067 -2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.057 39.754 -1.778 1.00 0.00 H new ATOM 0 HG21 VAL A 3 4.589 37.054 -1.841 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.846 38.585 -2.361 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.880 37.192 -3.468 1.00 0.00 H new ATOM 49 N HIS A 4 6.669 37.888 -6.277 1.00 0.00 N ATOM 50 CA HIS A 4 6.735 37.292 -7.614 1.00 0.00 C ATOM 51 C HIS A 4 7.422 35.943 -7.419 1.00 0.00 C ATOM 52 O HIS A 4 8.281 35.780 -6.540 1.00 0.00 O ATOM 53 CB HIS A 4 7.595 38.128 -8.603 1.00 0.00 C ATOM 54 CG HIS A 4 7.151 39.552 -8.843 1.00 0.00 C ATOM 55 ND1 HIS A 4 5.877 40.067 -8.655 1.00 0.00 N ATOM 56 CD2 HIS A 4 7.964 40.552 -9.292 1.00 0.00 C ATOM 57 CE1 HIS A 4 5.939 41.361 -8.996 1.00 0.00 C ATOM 58 NE2 HIS A 4 7.179 41.678 -9.389 1.00 0.00 N ATOM 0 H HIS A 4 7.565 37.903 -5.790 1.00 0.00 H new ATOM 0 HA HIS A 4 5.732 37.228 -8.037 1.00 0.00 H new ATOM 0 HB2 HIS A 4 8.620 38.148 -8.232 1.00 0.00 H new ATOM 0 HB3 HIS A 4 7.613 37.610 -9.562 1.00 0.00 H new ATOM 0 HD2 HIS A 4 9.016 40.475 -9.525 1.00 0.00 H new ATOM 0 HE1 HIS A 4 5.108 42.050 -8.959 1.00 0.00 H new ATOM 0 HE2 HIS A 4 7.489 42.597 -9.706 1.00 0.00 H new ATOM 66 N VAL A 5 7.117 34.995 -8.306 1.00 0.00 N ATOM 67 CA VAL A 5 7.515 33.591 -8.121 1.00 0.00 C ATOM 68 C VAL A 5 8.022 33.063 -9.452 1.00 0.00 C ATOM 69 O VAL A 5 7.422 33.262 -10.506 1.00 0.00 O ATOM 70 CB VAL A 5 6.387 32.684 -7.542 1.00 0.00 C ATOM 71 CG1 VAL A 5 6.460 32.731 -5.996 1.00 0.00 C ATOM 72 CG2 VAL A 5 4.962 32.992 -8.025 1.00 0.00 C ATOM 0 H VAL A 5 6.594 35.171 -9.164 1.00 0.00 H new ATOM 0 HA VAL A 5 8.303 33.561 -7.369 1.00 0.00 H new ATOM 0 HB VAL A 5 6.581 31.683 -7.927 1.00 0.00 H new ATOM 0 HG11 VAL A 5 5.676 32.101 -5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 5 7.434 32.368 -5.667 1.00 0.00 H new ATOM 0 HG13 VAL A 5 6.322 33.757 -5.656 1.00 0.00 H new ATOM 0 HG21 VAL A 5 4.262 32.300 -7.558 1.00 0.00 H new ATOM 0 HG22 VAL A 5 4.698 34.014 -7.752 1.00 0.00 H new ATOM 0 HG23 VAL A 5 4.913 32.881 -9.108 1.00 0.00 H new ATOM 82 N ARG A 6 9.133 32.313 -9.378 1.00 0.00 N ATOM 83 CA ARG A 6 9.913 31.808 -10.531 1.00 0.00 C ATOM 84 C ARG A 6 9.427 30.361 -10.738 1.00 0.00 C ATOM 85 O ARG A 6 8.491 29.907 -10.054 1.00 0.00 O ATOM 86 CB ARG A 6 11.417 31.713 -10.179 1.00 0.00 C ATOM 87 CG ARG A 6 12.123 33.033 -9.841 1.00 0.00 C ATOM 88 CD ARG A 6 12.648 33.785 -11.075 1.00 0.00 C ATOM 89 NE ARG A 6 14.052 33.444 -11.379 1.00 0.00 N ATOM 90 CZ ARG A 6 14.802 33.997 -12.322 1.00 0.00 C ATOM 91 NH1 ARG A 6 14.296 34.806 -13.228 1.00 0.00 N ATOM 92 NH2 ARG A 6 16.078 33.741 -12.376 1.00 0.00 N ATOM 0 H ARG A 6 9.532 32.028 -8.483 1.00 0.00 H new ATOM 0 HA ARG A 6 9.785 32.461 -11.394 1.00 0.00 H new ATOM 0 HB2 ARG A 6 11.527 31.039 -9.329 1.00 0.00 H new ATOM 0 HB3 ARG A 6 11.936 31.253 -11.020 1.00 0.00 H new ATOM 0 HG2 ARG A 6 11.430 33.678 -9.301 1.00 0.00 H new ATOM 0 HG3 ARG A 6 12.957 32.828 -9.169 1.00 0.00 H new ATOM 0 HD2 ARG A 6 12.023 33.548 -11.936 1.00 0.00 H new ATOM 0 HD3 ARG A 6 12.565 34.859 -10.907 1.00 0.00 H new ATOM 0 HE ARG A 6 14.485 32.716 -10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 6 13.300 35.024 -13.218 1.00 0.00 H new ATOM 0 HH12 ARG A 6 14.900 35.215 -13.941 1.00 0.00 H new ATOM 0 HH21 ARG A 6 16.502 33.114 -11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 6 16.653 34.167 -13.102 1.00 0.00 H new ATOM 106 N SER A 7 9.717 29.827 -11.921 1.00 0.00 N ATOM 107 CA SER A 7 9.242 28.502 -12.356 1.00 0.00 C ATOM 108 C SER A 7 7.950 28.756 -13.138 1.00 0.00 C ATOM 109 O SER A 7 7.503 29.908 -13.190 1.00 0.00 O ATOM 110 CB SER A 7 9.301 27.354 -11.348 1.00 0.00 C ATOM 111 OG SER A 7 9.270 26.089 -12.009 1.00 0.00 O ATOM 0 H SER A 7 10.293 30.300 -12.617 1.00 0.00 H new ATOM 0 HA SER A 7 9.965 28.031 -13.021 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.210 27.435 -10.753 1.00 0.00 H new ATOM 0 HB3 SER A 7 8.461 27.428 -10.658 1.00 0.00 H new ATOM 0 HG SER A 7 9.311 25.371 -11.343 1.00 0.00 H new ATOM 117 N GLU A 8 7.144 27.722 -13.332 1.00 0.00 N ATOM 118 CA GLU A 8 5.783 27.912 -13.830 1.00 0.00 C ATOM 119 C GLU A 8 4.900 28.034 -12.581 1.00 0.00 C ATOM 120 O GLU A 8 4.764 27.123 -11.771 1.00 0.00 O ATOM 121 CB GLU A 8 5.297 26.691 -14.667 1.00 0.00 C ATOM 122 CG GLU A 8 5.844 26.745 -16.099 1.00 0.00 C ATOM 123 CD GLU A 8 4.984 25.928 -17.090 1.00 0.00 C ATOM 124 OE1 GLU A 8 4.688 24.730 -16.842 1.00 0.00 O ATOM 125 OE2 GLU A 8 4.683 26.453 -18.180 1.00 0.00 O ATOM 0 H GLU A 8 7.402 26.751 -13.155 1.00 0.00 H new ATOM 0 HA GLU A 8 5.737 28.787 -14.478 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.619 25.767 -14.187 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.207 26.675 -14.692 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.887 27.783 -16.430 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.865 26.365 -16.109 1.00 0.00 H new ATOM 132 N GLU A 9 4.174 29.150 -12.552 1.00 0.00 N ATOM 133 CA GLU A 9 3.145 29.441 -11.577 1.00 0.00 C ATOM 134 C GLU A 9 1.825 29.534 -12.353 1.00 0.00 C ATOM 135 O GLU A 9 1.775 29.925 -13.520 1.00 0.00 O ATOM 136 CB GLU A 9 3.409 30.739 -10.741 1.00 0.00 C ATOM 137 CG GLU A 9 3.122 32.100 -11.418 1.00 0.00 C ATOM 138 CD GLU A 9 3.995 32.398 -12.643 1.00 0.00 C ATOM 139 OE1 GLU A 9 5.225 32.200 -12.541 1.00 0.00 O ATOM 140 OE2 GLU A 9 3.447 32.848 -13.659 1.00 0.00 O ATOM 0 H GLU A 9 4.297 29.898 -13.235 1.00 0.00 H new ATOM 0 HA GLU A 9 3.123 28.646 -10.831 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.807 30.682 -9.834 1.00 0.00 H new ATOM 0 HB3 GLU A 9 4.454 30.732 -10.431 1.00 0.00 H new ATOM 0 HG2 GLU A 9 2.075 32.128 -11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.265 32.894 -10.684 1.00 0.00 H new ATOM 147 N TRP A 10 0.726 29.217 -11.675 1.00 0.00 N ATOM 148 CA TRP A 10 -0.624 29.238 -12.244 1.00 0.00 C ATOM 149 C TRP A 10 -1.354 30.479 -11.710 1.00 0.00 C ATOM 150 O TRP A 10 -2.251 30.989 -12.368 1.00 0.00 O ATOM 151 CB TRP A 10 -1.439 28.008 -11.828 1.00 0.00 C ATOM 152 CG TRP A 10 -1.197 26.750 -12.602 1.00 0.00 C ATOM 153 CD1 TRP A 10 -0.003 26.133 -12.769 1.00 0.00 C ATOM 154 CD2 TRP A 10 -2.163 25.939 -13.342 1.00 0.00 C ATOM 155 NE1 TRP A 10 -0.165 25.008 -13.552 1.00 0.00 N ATOM 156 CE2 TRP A 10 -1.481 24.837 -13.929 1.00 0.00 C ATOM 157 CE3 TRP A 10 -3.560 26.015 -13.564 1.00 0.00 C ATOM 158 CZ2 TRP A 10 -2.128 23.862 -14.710 1.00 0.00 C ATOM 159 CZ3 TRP A 10 -4.228 25.050 -14.336 1.00 0.00 C ATOM 160 CH2 TRP A 10 -3.517 23.978 -14.910 1.00 0.00 C ATOM 0 H TRP A 10 0.746 28.932 -10.696 1.00 0.00 H new ATOM 0 HA TRP A 10 -0.532 29.247 -13.330 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -1.237 27.805 -10.776 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.497 28.258 -11.907 1.00 0.00 H new ATOM 0 HD1 TRP A 10 0.935 26.470 -12.352 1.00 0.00 H new ATOM 0 HE1 TRP A 10 0.594 24.381 -13.819 1.00 0.00 H new ATOM 0 HE3 TRP A 10 -4.122 26.830 -13.132 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 -1.573 23.044 -15.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 -5.294 25.131 -14.490 1.00 0.00 H new ATOM 0 HH2 TRP A 10 -4.039 23.243 -15.505 1.00 0.00 H new ATOM 171 N ASP A 11 -0.875 31.037 -10.590 1.00 0.00 N ATOM 172 CA ASP A 11 -1.410 32.252 -9.987 1.00 0.00 C ATOM 173 C ASP A 11 -0.260 33.048 -9.368 1.00 0.00 C ATOM 174 O ASP A 11 0.665 32.479 -8.778 1.00 0.00 O ATOM 175 CB ASP A 11 -2.466 31.862 -8.922 1.00 0.00 C ATOM 176 CG ASP A 11 -3.306 33.062 -8.481 1.00 0.00 C ATOM 177 OD1 ASP A 11 -4.043 33.607 -9.344 1.00 0.00 O ATOM 178 OD2 ASP A 11 -3.254 33.402 -7.276 1.00 0.00 O ATOM 0 H ASP A 11 -0.089 30.644 -10.072 1.00 0.00 H new ATOM 0 HA ASP A 11 -1.894 32.877 -10.738 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -3.121 31.090 -9.327 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.965 31.432 -8.055 1.00 0.00 H new ATOM 183 N LEU A 12 -0.416 34.365 -9.349 1.00 0.00 N ATOM 184 CA LEU A 12 0.613 35.269 -8.852 1.00 0.00 C ATOM 185 C LEU A 12 0.417 35.361 -7.333 1.00 0.00 C ATOM 186 O LEU A 12 -0.682 35.195 -6.783 1.00 0.00 O ATOM 187 CB LEU A 12 0.455 36.673 -9.516 1.00 0.00 C ATOM 188 CG LEU A 12 -0.938 37.336 -9.378 1.00 0.00 C ATOM 189 CD1 LEU A 12 -0.872 38.640 -8.572 1.00 0.00 C ATOM 190 CD2 LEU A 12 -1.557 37.618 -10.754 1.00 0.00 C ATOM 0 H LEU A 12 -1.259 34.837 -9.677 1.00 0.00 H new ATOM 0 HA LEU A 12 1.613 34.907 -9.091 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.199 37.343 -9.084 1.00 0.00 H new ATOM 0 HB3 LEU A 12 0.688 36.580 -10.577 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.568 36.628 -8.840 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.870 39.073 -8.499 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.493 38.431 -7.572 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.207 39.344 -9.072 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.534 38.083 -10.625 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.907 38.289 -11.315 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.670 36.682 -11.301 1.00 0.00 H new ATOM 202 N MET A 13 1.434 35.834 -6.641 1.00 0.00 N ATOM 203 CA MET A 13 1.457 35.800 -5.182 1.00 0.00 C ATOM 204 C MET A 13 1.338 37.284 -4.765 1.00 0.00 C ATOM 205 O MET A 13 1.522 38.215 -5.550 1.00 0.00 O ATOM 206 CB MET A 13 2.791 35.200 -4.651 1.00 0.00 C ATOM 207 CG MET A 13 3.053 33.749 -5.094 1.00 0.00 C ATOM 208 SD MET A 13 2.955 32.464 -3.812 1.00 0.00 S ATOM 209 CE MET A 13 1.298 31.816 -4.118 1.00 0.00 C ATOM 0 H MET A 13 2.264 36.250 -7.064 1.00 0.00 H new ATOM 0 HA MET A 13 0.660 35.177 -4.777 1.00 0.00 H new ATOM 0 HB2 MET A 13 3.617 35.826 -4.989 1.00 0.00 H new ATOM 0 HB3 MET A 13 2.786 35.240 -3.562 1.00 0.00 H new ATOM 0 HG2 MET A 13 2.338 33.500 -5.878 1.00 0.00 H new ATOM 0 HG3 MET A 13 4.046 33.706 -5.542 1.00 0.00 H new ATOM 0 HE1 MET A 13 1.084 31.015 -3.410 1.00 0.00 H new ATOM 0 HE2 MET A 13 0.567 32.615 -3.995 1.00 0.00 H new ATOM 0 HE3 MET A 13 1.242 31.426 -5.134 1.00 0.00 H new ATOM 219 N THR A 14 1.063 37.527 -3.483 1.00 0.00 N ATOM 220 CA THR A 14 0.855 38.878 -2.966 1.00 0.00 C ATOM 221 C THR A 14 1.414 38.935 -1.552 1.00 0.00 C ATOM 222 O THR A 14 1.416 37.948 -0.799 1.00 0.00 O ATOM 223 CB THR A 14 -0.635 39.331 -3.022 1.00 0.00 C ATOM 224 OG1 THR A 14 -0.715 40.707 -2.672 1.00 0.00 O ATOM 225 CG2 THR A 14 -1.599 38.574 -2.103 1.00 0.00 C ATOM 0 H THR A 14 0.979 36.796 -2.777 1.00 0.00 H new ATOM 0 HA THR A 14 1.384 39.585 -3.605 1.00 0.00 H new ATOM 0 HB THR A 14 -0.949 39.119 -4.044 1.00 0.00 H new ATOM 0 HG1 THR A 14 -1.650 41.000 -2.707 1.00 0.00 H new ATOM 0 HG21 THR A 14 -2.606 38.972 -2.225 1.00 0.00 H new ATOM 0 HG22 THR A 14 -1.594 37.515 -2.363 1.00 0.00 H new ATOM 0 HG23 THR A 14 -1.284 38.695 -1.067 1.00 0.00 H new ATOM 233 N PHE A 15 1.811 40.139 -1.115 1.00 0.00 N ATOM 234 CA PHE A 15 2.589 40.302 0.101 1.00 0.00 C ATOM 235 C PHE A 15 1.544 40.803 1.097 1.00 0.00 C ATOM 236 O PHE A 15 1.222 41.986 1.198 1.00 0.00 O ATOM 237 CB PHE A 15 3.696 41.374 -0.096 1.00 0.00 C ATOM 238 CG PHE A 15 4.618 41.600 1.086 1.00 0.00 C ATOM 239 CD1 PHE A 15 5.781 40.820 1.245 1.00 0.00 C ATOM 240 CD2 PHE A 15 4.345 42.637 2.005 1.00 0.00 C ATOM 241 CE1 PHE A 15 6.687 41.107 2.275 1.00 0.00 C ATOM 242 CE2 PHE A 15 5.260 42.924 3.036 1.00 0.00 C ATOM 243 CZ PHE A 15 6.448 42.175 3.158 1.00 0.00 C ATOM 0 H PHE A 15 1.600 41.013 -1.596 1.00 0.00 H new ATOM 0 HA PHE A 15 3.099 39.391 0.415 1.00 0.00 H new ATOM 0 HB2 PHE A 15 4.302 41.088 -0.955 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.217 42.321 -0.345 1.00 0.00 H new ATOM 0 HD1 PHE A 15 5.975 39.999 0.571 1.00 0.00 H new ATOM 0 HD2 PHE A 15 3.434 43.210 1.917 1.00 0.00 H new ATOM 0 HE1 PHE A 15 7.575 40.504 2.391 1.00 0.00 H new ATOM 0 HE2 PHE A 15 5.051 43.720 3.735 1.00 0.00 H new ATOM 0 HZ PHE A 15 7.169 42.420 3.924 1.00 0.00 H new ATOM 253 N ASP A 16 1.116 39.827 1.916 1.00 0.00 N ATOM 254 CA ASP A 16 -0.015 39.937 2.838 1.00 0.00 C ATOM 255 C ASP A 16 0.155 38.859 3.929 1.00 0.00 C ATOM 256 O ASP A 16 1.016 37.966 3.815 1.00 0.00 O ATOM 257 CB ASP A 16 -1.362 39.739 2.086 1.00 0.00 C ATOM 258 CG ASP A 16 -2.477 40.572 2.716 1.00 0.00 C ATOM 259 OD1 ASP A 16 -2.457 41.805 2.501 1.00 0.00 O ATOM 260 OD2 ASP A 16 -3.286 39.960 3.462 1.00 0.00 O ATOM 0 H ASP A 16 1.566 38.912 1.951 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.034 40.930 3.286 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -1.242 40.020 1.040 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.639 38.685 2.103 1.00 0.00 H new ATOM 265 N ALA A 17 -0.711 38.823 4.936 1.00 0.00 N ATOM 266 CA ALA A 17 -0.623 37.854 6.020 1.00 0.00 C ATOM 267 C ALA A 17 -2.016 37.643 6.600 1.00 0.00 C ATOM 268 O ALA A 17 -2.666 38.556 7.097 1.00 0.00 O ATOM 269 CB ALA A 17 0.372 38.302 7.131 1.00 0.00 C ATOM 0 H ALA A 17 -1.496 39.468 5.023 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.237 36.917 5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.403 37.548 7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.367 38.421 6.702 1.00 0.00 H new ATOM 0 HB3 ALA A 17 0.043 39.252 7.553 1.00 0.00 H new ATOM 275 N ASN A 18 -2.382 36.355 6.668 1.00 0.00 N ATOM 276 CA ASN A 18 -3.666 35.916 7.216 1.00 0.00 C ATOM 277 C ASN A 18 -3.423 35.456 8.663 1.00 0.00 C ATOM 278 O ASN A 18 -4.017 36.067 9.545 1.00 0.00 O ATOM 279 CB ASN A 18 -4.293 34.782 6.356 1.00 0.00 C ATOM 280 CG ASN A 18 -5.308 35.323 5.374 1.00 0.00 C ATOM 281 OD1 ASN A 18 -6.488 35.438 5.688 1.00 0.00 O ATOM 282 ND2 ASN A 18 -4.907 35.602 4.152 1.00 0.00 N ATOM 0 H ASN A 18 -1.792 35.589 6.343 1.00 0.00 H new ATOM 0 HA ASN A 18 -4.380 36.739 7.201 1.00 0.00 H new ATOM 0 HB2 ASN A 18 -3.506 34.258 5.814 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -4.771 34.052 7.009 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -5.580 35.918 3.454 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -3.923 35.502 3.903 1.00 0.00 H new ATOM 289 N PRO A 19 -2.515 34.510 8.986 1.00 0.00 N ATOM 290 CA PRO A 19 -2.188 34.213 10.372 1.00 0.00 C ATOM 291 C PRO A 19 -1.322 35.333 10.956 1.00 0.00 C ATOM 292 O PRO A 19 -0.194 35.549 10.500 1.00 0.00 O ATOM 293 CB PRO A 19 -1.489 32.846 10.357 1.00 0.00 C ATOM 294 CG PRO A 19 -0.854 32.781 8.974 1.00 0.00 C ATOM 295 CD PRO A 19 -1.805 33.602 8.092 1.00 0.00 C ATOM 0 HA PRO A 19 -3.067 34.163 11.014 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -0.740 32.770 11.145 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -2.197 32.032 10.511 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.152 33.201 8.976 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.769 31.753 8.621 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -1.251 34.157 7.335 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.503 32.952 7.564 1.00 0.00 H new ATOM 303 N TYR A 20 -1.823 35.954 12.018 1.00 0.00 N ATOM 304 CA TYR A 20 -1.172 37.050 12.740 1.00 0.00 C ATOM 305 C TYR A 20 -0.154 36.429 13.710 1.00 0.00 C ATOM 306 O TYR A 20 0.871 37.076 14.003 1.00 0.00 O ATOM 307 CB TYR A 20 -2.215 37.924 13.448 1.00 0.00 C ATOM 308 CG TYR A 20 -1.962 39.410 13.280 1.00 0.00 C ATOM 309 CD1 TYR A 20 -2.417 40.063 12.105 1.00 0.00 C ATOM 310 CD2 TYR A 20 -1.292 40.143 14.271 1.00 0.00 C ATOM 311 CE1 TYR A 20 -2.193 41.439 11.933 1.00 0.00 C ATOM 312 CE2 TYR A 20 -1.079 41.529 14.107 1.00 0.00 C ATOM 313 CZ TYR A 20 -1.524 42.182 12.934 1.00 0.00 C ATOM 314 OH TYR A 20 -1.310 43.518 12.770 1.00 0.00 O ATOM 0 H TYR A 20 -2.727 35.701 12.417 1.00 0.00 H new ATOM 0 HA TYR A 20 -0.645 37.715 12.056 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.205 37.684 13.059 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.222 37.681 14.511 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -2.936 39.501 11.342 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -0.938 39.646 15.162 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.533 41.931 11.034 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.575 42.092 14.879 1.00 0.00 H new ATOM 0 HH TYR A 20 -0.839 43.872 13.553 1.00 0.00 H new ATOM 324 N ASP A 21 -0.386 35.170 14.135 1.00 0.00 N ATOM 325 CA ASP A 21 0.581 34.540 15.020 1.00 0.00 C ATOM 326 C ASP A 21 1.734 33.999 14.156 1.00 0.00 C ATOM 327 O ASP A 21 1.545 33.456 13.045 1.00 0.00 O ATOM 328 CB ASP A 21 -0.187 33.368 15.753 1.00 0.00 C ATOM 329 CG ASP A 21 -1.379 33.808 16.622 1.00 0.00 C ATOM 330 OD1 ASP A 21 -1.505 35.033 16.854 1.00 0.00 O ATOM 331 OD2 ASP A 21 -2.165 32.909 16.994 1.00 0.00 O ATOM 0 H ASP A 21 -1.197 34.603 13.888 1.00 0.00 H new ATOM 0 HA ASP A 21 0.999 35.227 15.756 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -0.546 32.665 15.002 1.00 0.00 H new ATOM 0 HB3 ASP A 21 0.521 32.829 16.382 1.00 0.00 H new ATOM 336 N SER A 22 2.816 33.643 14.844 1.00 0.00 N ATOM 337 CA SER A 22 4.093 33.263 14.216 1.00 0.00 C ATOM 338 C SER A 22 4.173 31.753 14.287 1.00 0.00 C ATOM 339 O SER A 22 4.729 31.132 13.371 1.00 0.00 O ATOM 340 CB SER A 22 5.305 33.879 14.939 1.00 0.00 C ATOM 341 OG SER A 22 5.346 35.271 14.788 1.00 0.00 O ATOM 0 H SER A 22 2.838 33.608 15.863 1.00 0.00 H new ATOM 0 HA SER A 22 4.122 33.632 13.191 1.00 0.00 H new ATOM 0 HB2 SER A 22 5.262 33.629 15.999 1.00 0.00 H new ATOM 0 HB3 SER A 22 6.223 33.443 14.546 1.00 0.00 H new ATOM 0 HG SER A 22 6.126 35.628 15.261 1.00 0.00 H new ATOM 347 N VAL A 23 3.501 31.131 15.267 1.00 0.00 N ATOM 348 CA VAL A 23 3.457 29.678 15.457 1.00 0.00 C ATOM 349 C VAL A 23 2.440 29.048 14.492 1.00 0.00 C ATOM 350 O VAL A 23 2.669 27.947 14.020 1.00 0.00 O ATOM 351 CB VAL A 23 3.185 29.279 16.913 1.00 0.00 C ATOM 352 CG1 VAL A 23 1.739 29.528 17.352 1.00 0.00 C ATOM 353 CG2 VAL A 23 3.554 27.794 17.104 1.00 0.00 C ATOM 0 H VAL A 23 2.960 31.640 15.966 1.00 0.00 H new ATOM 0 HA VAL A 23 4.446 29.285 15.223 1.00 0.00 H new ATOM 0 HB VAL A 23 3.805 29.914 17.546 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.617 29.224 18.391 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.507 30.589 17.255 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.063 28.949 16.723 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.364 27.502 18.137 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.950 27.180 16.436 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.610 27.649 16.875 1.00 0.00 H new ATOM 363 N LEU A 24 1.438 29.814 14.037 1.00 0.00 N ATOM 364 CA LEU A 24 0.440 29.355 13.056 1.00 0.00 C ATOM 365 C LEU A 24 1.114 29.050 11.714 1.00 0.00 C ATOM 366 O LEU A 24 0.584 28.278 10.937 1.00 0.00 O ATOM 367 CB LEU A 24 -0.655 30.417 12.857 1.00 0.00 C ATOM 368 CG LEU A 24 -2.014 30.145 13.520 1.00 0.00 C ATOM 369 CD1 LEU A 24 -2.772 29.038 12.767 1.00 0.00 C ATOM 370 CD2 LEU A 24 -1.896 29.773 14.995 1.00 0.00 C ATOM 0 H LEU A 24 1.295 30.777 14.341 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.020 28.445 13.440 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.278 31.368 13.233 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -0.818 30.540 11.786 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.572 31.080 13.466 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -3.732 28.860 13.252 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.938 29.348 11.735 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -2.183 28.121 12.780 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -2.890 29.593 15.406 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.293 28.870 15.096 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.421 30.589 15.539 1.00 0.00 H new ATOM 382 N LYS A 25 2.281 29.635 11.407 1.00 0.00 N ATOM 383 CA LYS A 25 2.997 29.471 10.131 1.00 0.00 C ATOM 384 C LYS A 25 3.731 28.135 10.069 1.00 0.00 C ATOM 385 O LYS A 25 3.571 27.401 9.100 1.00 0.00 O ATOM 386 CB LYS A 25 3.952 30.651 9.929 1.00 0.00 C ATOM 387 CG LYS A 25 3.693 31.339 8.594 1.00 0.00 C ATOM 388 CD LYS A 25 4.625 32.538 8.421 1.00 0.00 C ATOM 389 CE LYS A 25 6.090 32.107 8.223 1.00 0.00 C ATOM 390 NZ LYS A 25 6.930 32.442 9.398 1.00 0.00 N ATOM 0 H LYS A 25 2.767 30.253 12.057 1.00 0.00 H new ATOM 0 HA LYS A 25 2.272 29.464 9.317 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.828 31.367 10.741 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.983 30.300 9.968 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.845 30.632 7.778 1.00 0.00 H new ATOM 0 HG3 LYS A 25 2.655 31.667 8.542 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.302 33.128 7.563 1.00 0.00 H new ATOM 0 HD3 LYS A 25 4.552 33.183 9.297 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.131 31.033 8.042 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.495 32.595 7.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.908 32.135 9.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 6.912 33.470 9.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.559 31.956 10.240 1.00 0.00 H new ATOM 404 N ILE A 26 4.496 27.799 11.108 1.00 0.00 N ATOM 405 CA ILE A 26 5.229 26.521 11.238 1.00 0.00 C ATOM 406 C ILE A 26 4.208 25.399 11.483 1.00 0.00 C ATOM 407 O ILE A 26 4.354 24.317 10.933 1.00 0.00 O ATOM 408 CB ILE A 26 6.312 26.591 12.334 1.00 0.00 C ATOM 409 CG1 ILE A 26 6.980 25.201 12.536 1.00 0.00 C ATOM 410 CG2 ILE A 26 5.805 27.169 13.666 1.00 0.00 C ATOM 411 CD1 ILE A 26 8.134 25.183 13.548 1.00 0.00 C ATOM 0 H ILE A 26 4.632 28.418 11.907 1.00 0.00 H new ATOM 0 HA ILE A 26 5.769 26.309 10.315 1.00 0.00 H new ATOM 0 HB ILE A 26 7.064 27.295 11.978 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.219 24.492 12.861 1.00 0.00 H new ATOM 0 HG13 ILE A 26 7.353 24.850 11.574 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.621 27.188 14.389 1.00 0.00 H new ATOM 0 HG22 ILE A 26 5.438 28.183 13.507 1.00 0.00 H new ATOM 0 HG23 ILE A 26 4.996 26.547 14.048 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.537 24.173 13.622 1.00 0.00 H new ATOM 0 HD12 ILE A 26 8.919 25.863 13.217 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.767 25.500 14.524 1.00 0.00 H new ATOM 423 N LYS A 27 3.124 25.672 12.211 1.00 0.00 N ATOM 424 CA LYS A 27 2.100 24.679 12.568 1.00 0.00 C ATOM 425 C LYS A 27 1.147 24.423 11.403 1.00 0.00 C ATOM 426 O LYS A 27 0.712 23.286 11.235 1.00 0.00 O ATOM 427 CB LYS A 27 1.389 25.094 13.858 1.00 0.00 C ATOM 428 CG LYS A 27 0.520 23.942 14.389 1.00 0.00 C ATOM 429 CD LYS A 27 0.608 23.839 15.915 1.00 0.00 C ATOM 430 CE LYS A 27 -0.072 22.562 16.404 1.00 0.00 C ATOM 431 NZ LYS A 27 0.239 22.324 17.830 1.00 0.00 N ATOM 0 H LYS A 27 2.926 26.603 12.577 1.00 0.00 H new ATOM 0 HA LYS A 27 2.582 23.722 12.768 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.125 25.379 14.610 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.768 25.970 13.672 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -0.517 24.098 14.092 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.842 23.003 13.939 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.653 23.844 16.226 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.135 24.708 16.372 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.151 22.643 16.269 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.261 21.714 15.806 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.231 21.452 18.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.267 22.226 17.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.101 23.126 18.398 1.00 0.00 H new ATOM 445 N GLU A 28 0.930 25.388 10.507 1.00 0.00 N ATOM 446 CA GLU A 28 0.187 25.176 9.253 1.00 0.00 C ATOM 447 C GLU A 28 1.013 24.320 8.292 1.00 0.00 C ATOM 448 O GLU A 28 0.436 23.627 7.462 1.00 0.00 O ATOM 449 CB GLU A 28 -0.146 26.497 8.541 1.00 0.00 C ATOM 450 CG GLU A 28 -1.514 27.077 8.942 1.00 0.00 C ATOM 451 CD GLU A 28 -2.555 26.869 7.838 1.00 0.00 C ATOM 452 OE1 GLU A 28 -2.863 25.686 7.522 1.00 0.00 O ATOM 453 OE2 GLU A 28 -2.949 27.868 7.197 1.00 0.00 O ATOM 0 H GLU A 28 1.264 26.344 10.627 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.744 24.677 9.523 1.00 0.00 H new ATOM 0 HB2 GLU A 28 0.631 27.228 8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -0.130 26.335 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.857 26.602 9.861 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.412 28.142 9.152 1.00 0.00 H new ATOM 460 N HIS A 29 2.347 24.274 8.427 1.00 0.00 N ATOM 461 CA HIS A 29 3.221 23.448 7.591 1.00 0.00 C ATOM 462 C HIS A 29 3.162 21.972 8.031 1.00 0.00 C ATOM 463 O HIS A 29 3.529 21.116 7.244 1.00 0.00 O ATOM 464 CB HIS A 29 4.671 23.955 7.583 1.00 0.00 C ATOM 465 CG HIS A 29 5.508 23.341 6.475 1.00 0.00 C ATOM 466 ND1 HIS A 29 6.737 22.722 6.653 1.00 0.00 N ATOM 467 CD2 HIS A 29 5.171 23.288 5.154 1.00 0.00 C ATOM 468 CE1 HIS A 29 7.110 22.281 5.440 1.00 0.00 C ATOM 469 NE2 HIS A 29 6.192 22.623 4.516 1.00 0.00 N ATOM 0 H HIS A 29 2.851 24.816 9.128 1.00 0.00 H new ATOM 0 HA HIS A 29 2.850 23.524 6.569 1.00 0.00 H new ATOM 0 HB2 HIS A 29 4.670 25.039 7.472 1.00 0.00 H new ATOM 0 HB3 HIS A 29 5.133 23.733 8.545 1.00 0.00 H new ATOM 0 HD2 HIS A 29 4.278 23.689 4.699 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.017 21.731 5.235 1.00 0.00 H new ATOM 0 HE2 HIS A 29 6.245 22.424 3.517 1.00 0.00 H new ATOM 477 N VAL A 30 2.684 21.652 9.235 1.00 0.00 N ATOM 478 CA VAL A 30 2.589 20.294 9.803 1.00 0.00 C ATOM 479 C VAL A 30 1.123 19.826 9.870 1.00 0.00 C ATOM 480 O VAL A 30 0.835 18.622 9.746 1.00 0.00 O ATOM 481 CB VAL A 30 3.330 20.185 11.143 1.00 0.00 C ATOM 482 CG1 VAL A 30 3.440 18.732 11.600 1.00 0.00 C ATOM 483 CG2 VAL A 30 4.757 20.743 11.053 1.00 0.00 C ATOM 0 H VAL A 30 2.334 22.363 9.877 1.00 0.00 H new ATOM 0 HA VAL A 30 3.100 19.604 9.132 1.00 0.00 H new ATOM 0 HB VAL A 30 2.745 20.767 11.855 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.970 18.689 12.552 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.441 18.312 11.721 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.987 18.156 10.854 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.247 20.647 12.022 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.320 20.184 10.305 1.00 0.00 H new ATOM 0 HG23 VAL A 30 4.719 21.794 10.768 1.00 0.00 H new ATOM 493 N ARG A 31 0.138 20.747 9.911 1.00 0.00 N ATOM 494 CA ARG A 31 -1.271 20.439 10.177 1.00 0.00 C ATOM 495 C ARG A 31 -1.902 20.150 8.813 1.00 0.00 C ATOM 496 O ARG A 31 -2.407 21.027 8.098 1.00 0.00 O ATOM 497 CB ARG A 31 -1.953 21.670 10.835 1.00 0.00 C ATOM 498 CG ARG A 31 -3.410 21.418 11.268 1.00 0.00 C ATOM 499 CD ARG A 31 -4.347 22.604 10.985 1.00 0.00 C ATOM 500 NE ARG A 31 -4.892 22.557 9.622 1.00 0.00 N ATOM 501 CZ ARG A 31 -5.871 23.323 9.140 1.00 0.00 C ATOM 502 NH1 ARG A 31 -6.361 24.328 9.825 1.00 0.00 N ATOM 503 NH2 ARG A 31 -6.391 23.055 7.968 1.00 0.00 N ATOM 0 H ARG A 31 0.309 21.741 9.757 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.385 19.592 10.853 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.372 21.972 11.706 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.932 22.504 10.133 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.787 20.536 10.751 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -3.430 21.195 12.335 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.166 22.599 11.704 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.804 23.538 11.127 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.483 21.874 8.984 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.993 24.541 10.752 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -7.110 24.897 9.431 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.047 22.262 7.427 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.140 23.639 7.597 1.00 0.00 H new ATOM 517 N SER A 32 -1.884 18.863 8.468 1.00 0.00 N ATOM 518 CA SER A 32 -2.315 18.297 7.171 1.00 0.00 C ATOM 519 C SER A 32 -1.518 18.824 5.962 1.00 0.00 C ATOM 520 O SER A 32 -2.030 18.895 4.855 1.00 0.00 O ATOM 521 CB SER A 32 -3.843 18.440 7.048 1.00 0.00 C ATOM 522 OG SER A 32 -4.372 17.458 6.189 1.00 0.00 O ATOM 0 H SER A 32 -1.554 18.143 9.111 1.00 0.00 H new ATOM 0 HA SER A 32 -2.076 17.234 7.155 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.301 18.352 8.033 1.00 0.00 H new ATOM 0 HB3 SER A 32 -4.090 19.432 6.669 1.00 0.00 H new ATOM 0 HG SER A 32 -5.344 17.567 6.127 1.00 0.00 H new ATOM 528 N LYS A 33 -0.250 19.216 6.175 1.00 0.00 N ATOM 529 CA LYS A 33 0.691 19.713 5.141 1.00 0.00 C ATOM 530 C LYS A 33 1.944 18.827 5.036 1.00 0.00 C ATOM 531 O LYS A 33 2.274 18.414 3.939 1.00 0.00 O ATOM 532 CB LYS A 33 1.064 21.188 5.376 1.00 0.00 C ATOM 533 CG LYS A 33 0.225 22.240 4.640 1.00 0.00 C ATOM 534 CD LYS A 33 -1.267 22.249 4.981 1.00 0.00 C ATOM 535 CE LYS A 33 -1.900 23.572 4.550 1.00 0.00 C ATOM 536 NZ LYS A 33 -3.366 23.485 4.440 1.00 0.00 N ATOM 0 H LYS A 33 0.169 19.197 7.105 1.00 0.00 H new ATOM 0 HA LYS A 33 0.173 19.655 4.184 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.998 21.389 6.445 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.107 21.324 5.090 1.00 0.00 H new ATOM 0 HG2 LYS A 33 0.636 23.225 4.859 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.334 22.081 3.567 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -1.766 21.419 4.481 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.403 22.105 6.053 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.638 24.348 5.269 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -1.484 23.874 3.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.747 24.407 4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -3.619 22.764 3.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.768 23.223 5.362 1.00 0.00 H new ATOM 550 N THR A 34 2.570 18.448 6.161 1.00 0.00 N ATOM 551 CA THR A 34 3.741 17.540 6.179 1.00 0.00 C ATOM 552 C THR A 34 3.237 16.091 6.041 1.00 0.00 C ATOM 553 O THR A 34 3.916 15.270 5.447 1.00 0.00 O ATOM 554 CB THR A 34 4.572 17.703 7.461 1.00 0.00 C ATOM 555 OG1 THR A 34 5.293 18.907 7.388 1.00 0.00 O ATOM 556 CG2 THR A 34 5.612 16.610 7.705 1.00 0.00 C ATOM 0 H THR A 34 2.282 18.760 7.089 1.00 0.00 H new ATOM 0 HA THR A 34 4.397 17.792 5.346 1.00 0.00 H new ATOM 0 HB THR A 34 3.844 17.663 8.271 1.00 0.00 H new ATOM 0 HG1 THR A 34 4.668 19.661 7.353 1.00 0.00 H new ATOM 0 HG21 THR A 34 6.145 16.816 8.633 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.114 15.644 7.779 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.320 16.590 6.877 1.00 0.00 H new ATOM 564 N LYS A 35 1.991 15.824 6.484 1.00 0.00 N ATOM 565 CA LYS A 35 1.370 14.492 6.496 1.00 0.00 C ATOM 566 C LYS A 35 1.040 14.049 5.071 1.00 0.00 C ATOM 567 O LYS A 35 1.255 12.896 4.737 1.00 0.00 O ATOM 568 CB LYS A 35 0.060 14.580 7.299 1.00 0.00 C ATOM 569 CG LYS A 35 0.339 14.241 8.761 1.00 0.00 C ATOM 570 CD LYS A 35 -0.828 14.600 9.702 1.00 0.00 C ATOM 571 CE LYS A 35 -0.247 15.149 11.004 1.00 0.00 C ATOM 572 NZ LYS A 35 -1.288 15.410 12.007 1.00 0.00 N ATOM 0 H LYS A 35 1.377 16.551 6.852 1.00 0.00 H new ATOM 0 HA LYS A 35 2.057 13.774 6.943 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.361 15.582 7.220 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.678 13.891 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.551 13.175 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.235 14.771 9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.478 15.340 9.235 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.439 13.720 9.901 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.474 14.438 11.407 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.296 16.071 10.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.850 15.781 12.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.962 16.108 11.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -1.790 14.526 12.224 1.00 0.00 H new ATOM 586 N VAL A 36 0.682 14.971 4.180 1.00 0.00 N ATOM 587 CA VAL A 36 0.459 14.661 2.767 1.00 0.00 C ATOM 588 C VAL A 36 1.766 14.992 2.019 1.00 0.00 C ATOM 589 O VAL A 36 2.260 16.131 2.102 1.00 0.00 O ATOM 590 CB VAL A 36 -0.754 15.444 2.201 1.00 0.00 C ATOM 591 CG1 VAL A 36 -0.670 16.975 2.297 1.00 0.00 C ATOM 592 CG2 VAL A 36 -1.021 15.043 0.742 1.00 0.00 C ATOM 0 H VAL A 36 0.538 15.953 4.415 1.00 0.00 H new ATOM 0 HA VAL A 36 0.213 13.607 2.637 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.580 15.157 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.571 17.416 1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.581 17.270 3.343 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.202 17.327 1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.876 15.602 0.361 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.142 15.266 0.137 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.235 13.975 0.691 1.00 0.00 H new ATOM 602 N PRO A 37 2.406 14.021 1.329 1.00 0.00 N ATOM 603 CA PRO A 37 3.610 14.271 0.519 1.00 0.00 C ATOM 604 C PRO A 37 3.282 15.057 -0.742 1.00 0.00 C ATOM 605 O PRO A 37 2.521 14.561 -1.578 1.00 0.00 O ATOM 606 CB PRO A 37 4.162 12.884 0.177 1.00 0.00 C ATOM 607 CG PRO A 37 2.921 11.991 0.182 1.00 0.00 C ATOM 608 CD PRO A 37 2.044 12.604 1.276 1.00 0.00 C ATOM 0 HA PRO A 37 4.337 14.875 1.062 1.00 0.00 H new ATOM 0 HB2 PRO A 37 4.656 12.878 -0.794 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.897 12.553 0.911 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.419 11.997 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.174 10.954 0.404 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.986 12.479 1.045 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.220 12.119 2.236 1.00 0.00 H new ATOM 616 N VAL A 38 3.379 16.388 -0.646 1.00 0.00 N ATOM 617 CA VAL A 38 3.291 17.288 -1.811 1.00 0.00 C ATOM 618 C VAL A 38 1.855 17.810 -1.719 1.00 0.00 C ATOM 619 O VAL A 38 0.961 16.995 -1.880 1.00 0.00 O ATOM 620 CB VAL A 38 3.791 16.860 -3.192 1.00 0.00 C ATOM 621 CG1 VAL A 38 3.778 18.050 -4.165 1.00 0.00 C ATOM 622 CG2 VAL A 38 5.219 16.287 -3.195 1.00 0.00 C ATOM 0 H VAL A 38 3.521 16.875 0.239 1.00 0.00 H new ATOM 0 HA VAL A 38 4.062 18.055 -1.737 1.00 0.00 H new ATOM 0 HB VAL A 38 3.105 16.072 -3.502 1.00 0.00 H new ATOM 0 HG11 VAL A 38 4.137 17.725 -5.142 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.761 18.431 -4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 38 4.427 18.839 -3.784 1.00 0.00 H new ATOM 0 HG21 VAL A 38 5.497 16.008 -4.211 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.914 17.040 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 38 5.259 15.407 -2.553 1.00 0.00 H new ATOM 632 N GLN A 39 1.582 19.115 -1.631 1.00 0.00 N ATOM 633 CA GLN A 39 0.189 19.588 -1.566 1.00 0.00 C ATOM 634 C GLN A 39 -0.306 19.903 -2.980 1.00 0.00 C ATOM 635 O GLN A 39 -1.115 19.152 -3.493 1.00 0.00 O ATOM 636 CB GLN A 39 0.087 20.858 -0.678 1.00 0.00 C ATOM 637 CG GLN A 39 0.330 20.628 0.822 1.00 0.00 C ATOM 638 CD GLN A 39 1.795 20.792 1.214 1.00 0.00 C ATOM 639 OE1 GLN A 39 2.236 21.897 1.533 1.00 0.00 O ATOM 640 NE2 GLN A 39 2.578 19.736 1.211 1.00 0.00 N ATOM 0 H GLN A 39 2.287 19.852 -1.603 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.431 18.807 -1.126 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.807 21.593 -1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -0.904 21.293 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -0.276 21.329 1.396 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.003 19.625 1.090 1.00 0.00 H new ATOM 0 HE21 GLN A 39 2.204 18.825 0.945 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.559 19.828 1.474 1.00 0.00 H new ATOM 649 N ASP A 40 0.243 20.949 -3.616 1.00 0.00 N ATOM 650 CA ASP A 40 -0.023 21.318 -5.016 1.00 0.00 C ATOM 651 C ASP A 40 1.032 22.342 -5.490 1.00 0.00 C ATOM 652 O ASP A 40 1.587 22.253 -6.581 1.00 0.00 O ATOM 653 CB ASP A 40 -1.417 21.963 -5.160 1.00 0.00 C ATOM 654 CG ASP A 40 -2.298 21.206 -6.153 1.00 0.00 C ATOM 655 OD1 ASP A 40 -2.027 21.353 -7.360 1.00 0.00 O ATOM 656 OD2 ASP A 40 -3.332 20.662 -5.681 1.00 0.00 O ATOM 0 H ASP A 40 0.902 21.579 -3.159 1.00 0.00 H new ATOM 0 HA ASP A 40 0.021 20.410 -5.618 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -1.907 21.988 -4.187 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.306 22.996 -5.488 1.00 0.00 H new ATOM 661 N GLN A 41 1.419 23.271 -4.606 1.00 0.00 N ATOM 662 CA GLN A 41 2.169 24.459 -4.978 1.00 0.00 C ATOM 663 C GLN A 41 2.970 24.902 -3.736 1.00 0.00 C ATOM 664 O GLN A 41 2.477 25.635 -2.873 1.00 0.00 O ATOM 665 CB GLN A 41 1.179 25.536 -5.509 1.00 0.00 C ATOM 666 CG GLN A 41 1.829 26.656 -6.365 1.00 0.00 C ATOM 667 CD GLN A 41 1.104 26.946 -7.682 1.00 0.00 C ATOM 668 OE1 GLN A 41 0.488 26.100 -8.307 1.00 0.00 O ATOM 669 NE2 GLN A 41 1.183 28.172 -8.182 1.00 0.00 N ATOM 0 H GLN A 41 1.215 23.211 -3.608 1.00 0.00 H new ATOM 0 HA GLN A 41 2.879 24.278 -5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.413 25.041 -6.106 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.674 25.995 -4.659 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.866 27.572 -5.775 1.00 0.00 H new ATOM 0 HG3 GLN A 41 2.859 26.377 -6.585 1.00 0.00 H new ATOM 0 HE21 GLN A 41 1.693 28.897 -7.677 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.734 28.390 -9.071 1.00 0.00 H new ATOM 678 N VAL A 42 4.261 24.556 -3.720 1.00 0.00 N ATOM 679 CA VAL A 42 5.124 24.771 -2.554 1.00 0.00 C ATOM 680 C VAL A 42 6.153 25.844 -2.970 1.00 0.00 C ATOM 681 O VAL A 42 6.611 25.894 -4.119 1.00 0.00 O ATOM 682 CB VAL A 42 5.851 23.469 -2.063 1.00 0.00 C ATOM 683 CG1 VAL A 42 4.843 22.416 -1.554 1.00 0.00 C ATOM 684 CG2 VAL A 42 6.772 22.776 -3.083 1.00 0.00 C ATOM 0 H VAL A 42 4.736 24.121 -4.511 1.00 0.00 H new ATOM 0 HA VAL A 42 4.515 25.087 -1.707 1.00 0.00 H new ATOM 0 HB VAL A 42 6.491 23.844 -1.264 1.00 0.00 H new ATOM 0 HG11 VAL A 42 5.381 21.528 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.275 22.829 -0.720 1.00 0.00 H new ATOM 0 HG13 VAL A 42 4.160 22.147 -2.360 1.00 0.00 H new ATOM 0 HG21 VAL A 42 7.217 21.890 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 42 6.191 22.483 -3.957 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.562 23.463 -3.386 1.00 0.00 H new ATOM 694 N LEU A 43 6.655 26.615 -2.005 1.00 0.00 N ATOM 695 CA LEU A 43 7.569 27.725 -2.292 1.00 0.00 C ATOM 696 C LEU A 43 8.930 27.255 -1.757 1.00 0.00 C ATOM 697 O LEU A 43 9.032 26.438 -0.841 1.00 0.00 O ATOM 698 CB LEU A 43 7.171 29.051 -1.573 1.00 0.00 C ATOM 699 CG LEU A 43 6.210 29.950 -2.364 1.00 0.00 C ATOM 700 CD1 LEU A 43 4.750 29.501 -2.166 1.00 0.00 C ATOM 701 CD2 LEU A 43 6.341 31.419 -1.932 1.00 0.00 C ATOM 0 H LEU A 43 6.444 26.492 -1.015 1.00 0.00 H new ATOM 0 HA LEU A 43 7.561 27.951 -3.358 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.711 28.805 -0.616 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.078 29.616 -1.355 1.00 0.00 H new ATOM 0 HG LEU A 43 6.479 29.860 -3.416 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.088 30.153 -2.736 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.635 28.474 -2.513 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.492 29.558 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.648 32.031 -2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 43 6.107 31.509 -0.871 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.361 31.761 -2.108 1.00 0.00 H new ATOM 713 N LEU A 44 9.993 27.909 -2.235 1.00 0.00 N ATOM 714 CA LEU A 44 11.378 27.542 -1.958 1.00 0.00 C ATOM 715 C LEU A 44 12.167 28.857 -1.933 1.00 0.00 C ATOM 716 O LEU A 44 12.127 29.665 -2.863 1.00 0.00 O ATOM 717 CB LEU A 44 12.026 26.594 -3.019 1.00 0.00 C ATOM 718 CG LEU A 44 11.791 25.078 -2.819 1.00 0.00 C ATOM 719 CD1 LEU A 44 10.463 24.569 -3.412 1.00 0.00 C ATOM 720 CD2 LEU A 44 12.909 24.265 -3.488 1.00 0.00 C ATOM 0 H LEU A 44 9.908 28.727 -2.839 1.00 0.00 H new ATOM 0 HA LEU A 44 11.400 26.988 -1.019 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.647 26.872 -4.003 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.101 26.775 -3.028 1.00 0.00 H new ATOM 0 HG LEU A 44 11.770 24.941 -1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 44 10.371 23.498 -3.232 1.00 0.00 H new ATOM 0 HD12 LEU A 44 9.630 25.090 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.447 24.759 -4.485 1.00 0.00 H new ATOM 0 HD21 LEU A 44 12.726 23.201 -3.336 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.927 24.481 -4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.869 24.535 -3.047 1.00 0.00 H new ATOM 732 N LEU A 45 13.015 29.033 -0.910 1.00 0.00 N ATOM 733 CA LEU A 45 13.872 30.228 -0.749 1.00 0.00 C ATOM 734 C LEU A 45 15.188 29.727 -0.159 1.00 0.00 C ATOM 735 O LEU A 45 15.233 29.227 0.966 1.00 0.00 O ATOM 736 CB LEU A 45 13.328 31.288 0.264 1.00 0.00 C ATOM 737 CG LEU A 45 12.385 32.396 -0.242 1.00 0.00 C ATOM 738 CD1 LEU A 45 10.982 31.903 -0.601 1.00 0.00 C ATOM 739 CD2 LEU A 45 12.263 33.443 0.874 1.00 0.00 C ATOM 0 H LEU A 45 13.130 28.348 -0.163 1.00 0.00 H new ATOM 0 HA LEU A 45 13.941 30.711 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.806 30.749 1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 45 14.188 31.774 0.724 1.00 0.00 H new ATOM 0 HG LEU A 45 12.815 32.798 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 45 10.379 32.742 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 45 11.050 31.154 -1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 45 10.515 31.461 0.279 1.00 0.00 H new ATOM 0 HD21 LEU A 45 11.600 34.245 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.854 32.975 1.769 1.00 0.00 H new ATOM 0 HD23 LEU A 45 13.248 33.854 1.097 1.00 0.00 H new ATOM 751 N GLY A 46 16.272 29.844 -0.952 1.00 0.00 N ATOM 752 CA GLY A 46 17.647 29.626 -0.493 1.00 0.00 C ATOM 753 C GLY A 46 17.871 28.234 0.117 1.00 0.00 C ATOM 754 O GLY A 46 18.319 28.131 1.267 1.00 0.00 O ATOM 0 H GLY A 46 16.210 30.095 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.329 29.761 -1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 46 17.900 30.385 0.248 1.00 0.00 H new ATOM 758 N SER A 47 17.554 27.185 -0.641 1.00 0.00 N ATOM 759 CA SER A 47 17.595 25.781 -0.211 1.00 0.00 C ATOM 760 C SER A 47 16.650 25.402 0.945 1.00 0.00 C ATOM 761 O SER A 47 16.781 24.319 1.529 1.00 0.00 O ATOM 762 CB SER A 47 19.036 25.305 0.040 1.00 0.00 C ATOM 763 OG SER A 47 19.898 25.722 -0.993 1.00 0.00 O ATOM 0 H SER A 47 17.250 27.290 -1.609 1.00 0.00 H new ATOM 0 HA SER A 47 17.190 25.233 -1.062 1.00 0.00 H new ATOM 0 HB2 SER A 47 19.390 25.697 0.993 1.00 0.00 H new ATOM 0 HB3 SER A 47 19.055 24.218 0.116 1.00 0.00 H new ATOM 0 HG SER A 47 20.807 25.407 -0.807 1.00 0.00 H new ATOM 769 N LYS A 48 15.621 26.211 1.232 1.00 0.00 N ATOM 770 CA LYS A 48 14.622 25.982 2.304 1.00 0.00 C ATOM 771 C LYS A 48 13.244 25.782 1.649 1.00 0.00 C ATOM 772 O LYS A 48 13.044 26.140 0.487 1.00 0.00 O ATOM 773 CB LYS A 48 14.667 27.153 3.337 1.00 0.00 C ATOM 774 CG LYS A 48 13.472 28.131 3.348 1.00 0.00 C ATOM 775 CD LYS A 48 13.764 29.439 4.106 1.00 0.00 C ATOM 776 CE LYS A 48 12.652 29.769 5.103 1.00 0.00 C ATOM 777 NZ LYS A 48 12.862 29.120 6.413 1.00 0.00 N ATOM 0 H LYS A 48 15.449 27.072 0.713 1.00 0.00 H new ATOM 0 HA LYS A 48 14.847 25.079 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 48 14.759 26.721 4.333 1.00 0.00 H new ATOM 0 HB3 LYS A 48 15.574 27.730 3.155 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.196 28.368 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 48 12.613 27.639 3.804 1.00 0.00 H new ATOM 0 HD2 LYS A 48 14.713 29.351 4.634 1.00 0.00 H new ATOM 0 HD3 LYS A 48 13.870 30.257 3.394 1.00 0.00 H new ATOM 0 HE2 LYS A 48 12.599 30.849 5.240 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.693 29.452 4.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 12.084 29.373 7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.887 28.088 6.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.764 29.442 6.819 1.00 0.00 H new ATOM 791 N ILE A 49 12.255 25.396 2.449 1.00 0.00 N ATOM 792 CA ILE A 49 10.852 25.284 2.024 1.00 0.00 C ATOM 793 C ILE A 49 10.125 26.424 2.747 1.00 0.00 C ATOM 794 O ILE A 49 10.229 26.584 3.976 1.00 0.00 O ATOM 795 CB ILE A 49 10.206 23.908 2.395 1.00 0.00 C ATOM 796 CG1 ILE A 49 10.914 22.677 1.769 1.00 0.00 C ATOM 797 CG2 ILE A 49 8.706 23.874 2.021 1.00 0.00 C ATOM 798 CD1 ILE A 49 10.810 22.549 0.249 1.00 0.00 C ATOM 0 H ILE A 49 12.402 25.147 3.427 1.00 0.00 H new ATOM 0 HA ILE A 49 10.779 25.349 0.938 1.00 0.00 H new ATOM 0 HB ILE A 49 10.330 23.829 3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 49 11.969 22.712 2.040 1.00 0.00 H new ATOM 0 HG13 ILE A 49 10.499 21.775 2.220 1.00 0.00 H new ATOM 0 HG21 ILE A 49 8.286 22.905 2.291 1.00 0.00 H new ATOM 0 HG22 ILE A 49 8.179 24.661 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 49 8.595 24.031 0.948 1.00 0.00 H new ATOM 0 HD11 ILE A 49 11.340 21.654 -0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 49 9.761 22.475 -0.039 1.00 0.00 H new ATOM 0 HD13 ILE A 49 11.254 23.426 -0.221 1.00 0.00 H new ATOM 810 N LEU A 50 9.294 27.135 1.998 1.00 0.00 N ATOM 811 CA LEU A 50 8.380 28.154 2.510 1.00 0.00 C ATOM 812 C LEU A 50 6.997 27.498 2.482 1.00 0.00 C ATOM 813 O LEU A 50 6.566 26.899 1.487 1.00 0.00 O ATOM 814 CB LEU A 50 8.375 29.452 1.640 1.00 0.00 C ATOM 815 CG LEU A 50 8.837 30.755 2.305 1.00 0.00 C ATOM 816 CD1 LEU A 50 7.883 31.217 3.399 1.00 0.00 C ATOM 817 CD2 LEU A 50 10.236 30.615 2.907 1.00 0.00 C ATOM 0 H LEU A 50 9.233 27.017 0.987 1.00 0.00 H new ATOM 0 HA LEU A 50 8.683 28.472 3.508 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.008 29.276 0.770 1.00 0.00 H new ATOM 0 HB3 LEU A 50 7.361 29.605 1.270 1.00 0.00 H new ATOM 0 HG LEU A 50 8.852 31.501 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 50 8.254 32.143 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 50 6.895 31.389 2.972 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.816 30.450 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.529 31.558 3.369 1.00 0.00 H new ATOM 0 HD22 LEU A 50 10.231 29.828 3.661 1.00 0.00 H new ATOM 0 HD23 LEU A 50 10.947 30.360 2.121 1.00 0.00 H new ATOM 829 N LYS A 51 6.231 27.784 3.534 1.00 0.00 N ATOM 830 CA LYS A 51 4.865 27.307 3.711 1.00 0.00 C ATOM 831 C LYS A 51 3.932 28.424 3.197 1.00 0.00 C ATOM 832 O LYS A 51 3.109 28.127 2.346 1.00 0.00 O ATOM 833 CB LYS A 51 4.599 26.937 5.198 1.00 0.00 C ATOM 834 CG LYS A 51 3.109 26.915 5.619 1.00 0.00 C ATOM 835 CD LYS A 51 2.225 25.987 4.785 1.00 0.00 C ATOM 836 CE LYS A 51 0.755 26.327 5.042 1.00 0.00 C ATOM 837 NZ LYS A 51 0.032 26.625 3.796 1.00 0.00 N ATOM 0 H LYS A 51 6.554 28.369 4.305 1.00 0.00 H new ATOM 0 HA LYS A 51 4.683 26.392 3.147 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.029 25.955 5.393 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.128 27.648 5.832 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.045 26.613 6.664 1.00 0.00 H new ATOM 0 HG3 LYS A 51 2.712 27.928 5.555 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.457 26.099 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 51 2.421 24.947 5.046 1.00 0.00 H new ATOM 0 HE2 LYS A 51 0.273 25.491 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.693 27.185 5.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.959 26.850 4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.475 27.439 3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.068 25.797 3.167 1.00 0.00 H new ATOM 851 N PRO A 52 3.990 29.681 3.690 1.00 0.00 N ATOM 852 CA PRO A 52 3.106 30.749 3.200 1.00 0.00 C ATOM 853 C PRO A 52 3.540 31.261 1.813 1.00 0.00 C ATOM 854 O PRO A 52 4.655 31.026 1.370 1.00 0.00 O ATOM 855 CB PRO A 52 3.168 31.830 4.285 1.00 0.00 C ATOM 856 CG PRO A 52 4.621 31.713 4.742 1.00 0.00 C ATOM 857 CD PRO A 52 4.807 30.196 4.764 1.00 0.00 C ATOM 0 HA PRO A 52 2.084 30.404 3.044 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.939 32.821 3.892 1.00 0.00 H new ATOM 0 HB3 PRO A 52 2.465 31.639 5.096 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.309 32.202 4.052 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.781 32.161 5.723 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.854 29.929 4.621 1.00 0.00 H new ATOM 0 HD3 PRO A 52 4.500 29.779 5.723 1.00 0.00 H new ATOM 865 N ARG A 53 2.705 32.161 1.266 1.00 0.00 N ATOM 866 CA ARG A 53 2.806 32.666 -0.105 1.00 0.00 C ATOM 867 C ARG A 53 3.638 33.962 -0.116 1.00 0.00 C ATOM 868 O ARG A 53 4.372 34.225 -1.054 1.00 0.00 O ATOM 869 CB ARG A 53 1.403 33.045 -0.615 1.00 0.00 C ATOM 870 CG ARG A 53 0.364 31.895 -0.573 1.00 0.00 C ATOM 871 CD ARG A 53 -0.491 31.926 0.708 1.00 0.00 C ATOM 872 NE ARG A 53 -1.557 30.917 0.688 1.00 0.00 N ATOM 873 CZ ARG A 53 -2.484 30.750 1.628 1.00 0.00 C ATOM 874 NH1 ARG A 53 -2.460 31.420 2.754 1.00 0.00 N ATOM 875 NH2 ARG A 53 -3.437 29.864 1.461 1.00 0.00 N ATOM 0 H ARG A 53 1.923 32.565 1.782 1.00 0.00 H new ATOM 0 HA ARG A 53 3.262 31.895 -0.726 1.00 0.00 H new ATOM 0 HB2 ARG A 53 1.028 33.877 -0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 53 1.489 33.401 -1.642 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.288 31.965 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.882 30.938 -0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 53 0.149 31.759 1.574 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.932 32.916 0.824 1.00 0.00 H new ATOM 0 HE ARG A 53 -1.590 30.290 -0.116 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.715 32.094 2.931 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.186 31.268 3.454 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.468 29.302 0.610 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.147 29.737 2.182 1.00 0.00 H new ATOM 889 N ARG A 54 3.739 34.603 1.057 1.00 0.00 N ATOM 890 CA ARG A 54 4.429 35.884 1.263 1.00 0.00 C ATOM 891 C ARG A 54 5.824 35.594 1.833 1.00 0.00 C ATOM 892 O ARG A 54 6.172 34.428 2.076 1.00 0.00 O ATOM 893 CB ARG A 54 3.578 36.708 2.271 1.00 0.00 C ATOM 894 CG ARG A 54 3.592 36.145 3.714 1.00 0.00 C ATOM 895 CD ARG A 54 4.290 37.099 4.690 1.00 0.00 C ATOM 896 NE ARG A 54 4.997 36.391 5.769 1.00 0.00 N ATOM 897 CZ ARG A 54 4.493 36.021 6.940 1.00 0.00 C ATOM 898 NH1 ARG A 54 3.203 35.994 7.171 1.00 0.00 N ATOM 899 NH2 ARG A 54 5.311 35.577 7.872 1.00 0.00 N ATOM 0 H ARG A 54 3.330 34.233 1.915 1.00 0.00 H new ATOM 0 HA ARG A 54 4.543 36.444 0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 54 3.946 37.734 2.288 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.548 36.745 1.916 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.569 35.970 4.046 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.099 35.180 3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 54 5.000 37.718 4.141 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.551 37.771 5.126 1.00 0.00 H new ATOM 0 HE ARG A 54 5.976 36.161 5.600 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.548 36.263 6.437 1.00 0.00 H new ATOM 0 HH12 ARG A 54 2.854 35.704 8.085 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.313 35.522 7.687 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.943 35.288 8.778 1.00 0.00 H new ATOM 913 N SER A 55 6.561 36.635 2.211 1.00 0.00 N ATOM 914 CA SER A 55 7.972 36.477 2.604 1.00 0.00 C ATOM 915 C SER A 55 8.096 36.745 4.107 1.00 0.00 C ATOM 916 O SER A 55 8.267 35.781 4.868 1.00 0.00 O ATOM 917 CB SER A 55 8.869 37.451 1.822 1.00 0.00 C ATOM 918 OG SER A 55 8.649 37.321 0.441 1.00 0.00 O ATOM 0 H SER A 55 6.215 37.593 2.256 1.00 0.00 H new ATOM 0 HA SER A 55 8.297 35.462 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 55 8.663 38.475 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 55 9.916 37.253 2.050 1.00 0.00 H new ATOM 0 HG SER A 55 8.542 36.374 0.215 1.00 0.00 H new ATOM 924 N LEU A 56 7.935 37.958 4.588 1.00 0.00 N ATOM 925 CA LEU A 56 8.056 38.407 5.992 1.00 0.00 C ATOM 926 C LEU A 56 6.849 39.139 6.562 1.00 0.00 C ATOM 927 O LEU A 56 6.152 38.648 7.370 1.00 0.00 O ATOM 928 CB LEU A 56 9.390 39.089 6.296 1.00 0.00 C ATOM 929 CG LEU A 56 10.123 39.734 5.101 1.00 0.00 C ATOM 930 CD1 LEU A 56 10.931 40.955 5.549 1.00 0.00 C ATOM 931 CD2 LEU A 56 11.092 38.748 4.445 1.00 0.00 C ATOM 0 H LEU A 56 7.696 38.734 3.970 1.00 0.00 H new ATOM 0 HA LEU A 56 8.059 37.474 6.555 1.00 0.00 H new ATOM 0 HB2 LEU A 56 9.215 39.861 7.046 1.00 0.00 H new ATOM 0 HB3 LEU A 56 10.055 38.352 6.746 1.00 0.00 H new ATOM 0 HG LEU A 56 9.355 40.031 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.438 41.391 4.688 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.261 41.694 5.988 1.00 0.00 H new ATOM 0 HD13 LEU A 56 11.670 40.650 6.290 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.592 39.233 3.607 1.00 0.00 H new ATOM 0 HD22 LEU A 56 11.835 38.428 5.175 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.540 37.880 4.085 1.00 0.00 H new ATOM 943 N SER A 57 6.411 40.238 5.826 1.00 0.00 N ATOM 944 CA SER A 57 5.761 41.441 6.377 1.00 0.00 C ATOM 945 C SER A 57 5.603 41.623 7.901 1.00 0.00 C ATOM 946 O SER A 57 6.491 41.193 8.630 1.00 0.00 O ATOM 947 CB SER A 57 4.308 41.119 5.794 1.00 0.00 C ATOM 948 OG SER A 57 3.591 40.050 6.412 1.00 0.00 O ATOM 0 H SER A 57 6.517 40.283 4.812 1.00 0.00 H new ATOM 0 HA SER A 57 6.329 42.337 6.129 1.00 0.00 H new ATOM 0 HB2 SER A 57 3.703 42.023 5.870 1.00 0.00 H new ATOM 0 HB3 SER A 57 4.410 40.892 4.733 1.00 0.00 H new ATOM 0 HG SER A 57 4.223 39.439 6.845 1.00 0.00 H new ATOM 954 N SER A 58 4.547 42.299 8.385 1.00 0.00 N ATOM 955 CA SER A 58 4.356 42.632 9.807 1.00 0.00 C ATOM 956 C SER A 58 5.525 43.337 10.546 1.00 0.00 C ATOM 957 O SER A 58 5.561 43.386 11.767 1.00 0.00 O ATOM 958 CB SER A 58 3.814 41.395 10.501 1.00 0.00 C ATOM 959 OG SER A 58 3.116 41.711 11.680 1.00 0.00 O ATOM 0 H SER A 58 3.790 42.635 7.789 1.00 0.00 H new ATOM 0 HA SER A 58 3.629 43.443 9.852 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.151 40.860 9.821 1.00 0.00 H new ATOM 0 HB3 SER A 58 4.639 40.723 10.738 1.00 0.00 H new ATOM 0 HG SER A 58 3.628 42.367 12.197 1.00 0.00 H new ATOM 965 N TYR A 59 6.493 43.922 9.817 1.00 0.00 N ATOM 966 CA TYR A 59 7.772 44.360 10.414 1.00 0.00 C ATOM 967 C TYR A 59 7.729 45.877 10.669 1.00 0.00 C ATOM 968 O TYR A 59 8.358 46.340 11.622 1.00 0.00 O ATOM 969 CB TYR A 59 8.915 44.051 9.411 1.00 0.00 C ATOM 970 CG TYR A 59 10.303 44.382 9.938 1.00 0.00 C ATOM 971 CD1 TYR A 59 11.022 43.408 10.653 1.00 0.00 C ATOM 972 CD2 TYR A 59 10.865 45.655 9.728 1.00 0.00 C ATOM 973 CE1 TYR A 59 12.288 43.717 11.197 1.00 0.00 C ATOM 974 CE2 TYR A 59 12.121 45.973 10.271 1.00 0.00 C ATOM 975 CZ TYR A 59 12.836 45.009 11.016 1.00 0.00 C ATOM 976 OH TYR A 59 14.054 45.307 11.545 1.00 0.00 O ATOM 0 H TYR A 59 6.416 44.103 8.816 1.00 0.00 H new ATOM 0 HA TYR A 59 7.939 43.838 11.356 1.00 0.00 H new ATOM 0 HB2 TYR A 59 8.879 42.994 9.149 1.00 0.00 H new ATOM 0 HB3 TYR A 59 8.742 44.613 8.493 1.00 0.00 H new ATOM 0 HD1 TYR A 59 10.605 42.421 10.787 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.328 46.391 9.147 1.00 0.00 H new ATOM 0 HE1 TYR A 59 12.837 42.969 11.750 1.00 0.00 H new ATOM 0 HE2 TYR A 59 12.541 46.956 10.119 1.00 0.00 H new ATOM 0 HH TYR A 59 14.286 46.234 11.329 1.00 0.00 H new ATOM 986 N GLY A 60 6.961 46.641 9.886 1.00 0.00 N ATOM 987 CA GLY A 60 6.831 48.087 10.020 1.00 0.00 C ATOM 988 C GLY A 60 7.300 48.798 8.749 1.00 0.00 C ATOM 989 O GLY A 60 7.989 49.811 8.820 1.00 0.00 O ATOM 0 H GLY A 60 6.401 46.258 9.125 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.792 48.345 10.223 1.00 0.00 H new ATOM 0 HA3 GLY A 60 7.418 48.431 10.872 1.00 0.00 H new ATOM 993 N ILE A 61 6.751 48.399 7.593 1.00 0.00 N ATOM 994 CA ILE A 61 7.095 48.978 6.287 1.00 0.00 C ATOM 995 C ILE A 61 5.773 49.450 5.656 1.00 0.00 C ATOM 996 O ILE A 61 4.697 48.927 5.953 1.00 0.00 O ATOM 997 CB ILE A 61 7.853 47.981 5.328 1.00 0.00 C ATOM 998 CG1 ILE A 61 7.538 46.464 5.429 1.00 0.00 C ATOM 999 CG2 ILE A 61 9.367 48.147 5.543 1.00 0.00 C ATOM 1000 CD1 ILE A 61 6.069 46.079 5.215 1.00 0.00 C ATOM 0 H ILE A 61 6.050 47.660 7.538 1.00 0.00 H new ATOM 0 HA ILE A 61 7.795 49.800 6.435 1.00 0.00 H new ATOM 0 HB ILE A 61 7.488 48.269 4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 61 8.145 45.935 4.694 1.00 0.00 H new ATOM 0 HG13 ILE A 61 7.848 46.111 6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 61 9.905 47.463 4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 61 9.657 49.173 5.315 1.00 0.00 H new ATOM 0 HG23 ILE A 61 9.614 47.923 6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.959 44.998 5.307 1.00 0.00 H new ATOM 0 HD12 ILE A 61 5.451 46.572 5.965 1.00 0.00 H new ATOM 0 HD13 ILE A 61 5.752 46.393 4.221 1.00 0.00 H new ATOM 1012 N ASP A 62 5.893 50.391 4.714 1.00 0.00 N ATOM 1013 CA ASP A 62 4.758 51.096 4.084 1.00 0.00 C ATOM 1014 C ASP A 62 5.137 51.527 2.660 1.00 0.00 C ATOM 1015 O ASP A 62 4.294 51.410 1.769 1.00 0.00 O ATOM 1016 CB ASP A 62 4.369 52.402 4.814 1.00 0.00 C ATOM 1017 CG ASP A 62 3.145 52.231 5.713 1.00 0.00 C ATOM 1018 OD1 ASP A 62 2.092 51.836 5.159 1.00 0.00 O ATOM 1019 OD2 ASP A 62 3.288 52.492 6.926 1.00 0.00 O ATOM 0 H ASP A 62 6.799 50.695 4.356 1.00 0.00 H new ATOM 0 HA ASP A 62 3.927 50.391 4.115 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.212 52.743 5.415 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.168 53.180 4.077 1.00 0.00 H new ATOM 1024 N LYS A 63 6.438 51.544 2.320 1.00 0.00 N ATOM 1025 CA LYS A 63 6.848 51.985 0.979 1.00 0.00 C ATOM 1026 C LYS A 63 6.639 50.760 0.080 1.00 0.00 C ATOM 1027 O LYS A 63 6.765 49.597 0.521 1.00 0.00 O ATOM 1028 CB LYS A 63 8.359 52.383 0.976 1.00 0.00 C ATOM 1029 CG LYS A 63 9.376 51.308 1.439 1.00 0.00 C ATOM 1030 CD LYS A 63 10.844 51.698 1.171 1.00 0.00 C ATOM 1031 CE LYS A 63 11.500 52.519 2.292 1.00 0.00 C ATOM 1032 NZ LYS A 63 12.008 51.648 3.379 1.00 0.00 N ATOM 0 H LYS A 63 7.202 51.266 2.936 1.00 0.00 H new ATOM 0 HA LYS A 63 6.280 52.854 0.645 1.00 0.00 H new ATOM 0 HB2 LYS A 63 8.626 52.687 -0.036 1.00 0.00 H new ATOM 0 HB3 LYS A 63 8.479 53.259 1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 63 9.244 51.130 2.506 1.00 0.00 H new ATOM 0 HG3 LYS A 63 9.158 50.369 0.930 1.00 0.00 H new ATOM 0 HD2 LYS A 63 11.426 50.789 1.015 1.00 0.00 H new ATOM 0 HD3 LYS A 63 10.891 52.269 0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 63 12.321 53.106 1.881 1.00 0.00 H new ATOM 0 HE3 LYS A 63 10.776 53.225 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 12.444 52.235 4.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 11.220 51.106 3.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 12.717 50.991 2.995 1.00 0.00 H new ATOM 1046 N GLU A 64 6.556 50.991 -1.223 1.00 0.00 N ATOM 1047 CA GLU A 64 6.197 49.933 -2.156 1.00 0.00 C ATOM 1048 C GLU A 64 7.535 49.240 -2.440 1.00 0.00 C ATOM 1049 O GLU A 64 8.578 49.862 -2.719 1.00 0.00 O ATOM 1050 CB GLU A 64 5.577 50.494 -3.469 1.00 0.00 C ATOM 1051 CG GLU A 64 6.364 51.626 -4.190 1.00 0.00 C ATOM 1052 CD GLU A 64 5.471 52.803 -4.609 1.00 0.00 C ATOM 1053 OE1 GLU A 64 4.895 53.434 -3.696 1.00 0.00 O ATOM 1054 OE2 GLU A 64 5.339 53.082 -5.826 1.00 0.00 O ATOM 0 H GLU A 64 6.732 51.898 -1.656 1.00 0.00 H new ATOM 0 HA GLU A 64 5.439 49.265 -1.748 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.456 49.666 -4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.579 50.867 -3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.151 51.991 -3.530 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.853 51.215 -5.073 1.00 0.00 H new ATOM 1061 N LYS A 65 7.537 47.909 -2.325 1.00 0.00 N ATOM 1062 CA LYS A 65 8.750 47.081 -2.342 1.00 0.00 C ATOM 1063 C LYS A 65 8.343 45.749 -2.951 1.00 0.00 C ATOM 1064 O LYS A 65 7.670 44.921 -2.325 1.00 0.00 O ATOM 1065 CB LYS A 65 9.392 46.920 -0.921 1.00 0.00 C ATOM 1066 CG LYS A 65 10.898 47.267 -0.855 1.00 0.00 C ATOM 1067 CD LYS A 65 11.795 46.051 -0.567 1.00 0.00 C ATOM 1068 CE LYS A 65 13.259 46.477 -0.413 1.00 0.00 C ATOM 1069 NZ LYS A 65 13.603 46.810 0.992 1.00 0.00 N ATOM 0 H LYS A 65 6.681 47.365 -2.215 1.00 0.00 H new ATOM 0 HA LYS A 65 9.532 47.556 -2.934 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.854 47.557 -0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.254 45.891 -0.588 1.00 0.00 H new ATOM 0 HG2 LYS A 65 11.201 47.716 -1.801 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.056 48.017 -0.080 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.459 45.553 0.343 1.00 0.00 H new ATOM 0 HD3 LYS A 65 11.706 45.328 -1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 65 13.908 45.674 -0.763 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.452 47.342 -1.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 14.602 47.092 1.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 13.003 47.594 1.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.445 45.977 1.595 1.00 0.00 H new ATOM 1083 N THR A 66 8.976 45.462 -4.087 1.00 0.00 N ATOM 1084 CA THR A 66 8.684 44.244 -4.854 1.00 0.00 C ATOM 1085 C THR A 66 9.857 43.312 -4.565 1.00 0.00 C ATOM 1086 O THR A 66 10.942 43.729 -4.138 1.00 0.00 O ATOM 1087 CB THR A 66 8.593 44.547 -6.388 1.00 0.00 C ATOM 1088 OG1 THR A 66 8.312 43.358 -7.073 1.00 0.00 O ATOM 1089 CG2 THR A 66 9.833 45.176 -7.028 1.00 0.00 C ATOM 0 H THR A 66 9.696 46.055 -4.500 1.00 0.00 H new ATOM 0 HA THR A 66 7.725 43.810 -4.572 1.00 0.00 H new ATOM 0 HB THR A 66 7.804 45.294 -6.473 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.784 43.559 -7.874 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.651 45.339 -8.090 1.00 0.00 H new ATOM 0 HG22 THR A 66 10.047 46.130 -6.546 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.685 44.508 -6.904 1.00 0.00 H new ATOM 1097 N ILE A 67 9.640 42.010 -4.773 1.00 0.00 N ATOM 1098 CA ILE A 67 10.541 40.933 -4.352 1.00 0.00 C ATOM 1099 C ILE A 67 10.268 39.767 -5.318 1.00 0.00 C ATOM 1100 O ILE A 67 9.139 39.560 -5.746 1.00 0.00 O ATOM 1101 CB ILE A 67 10.348 40.455 -2.869 1.00 0.00 C ATOM 1102 CG1 ILE A 67 9.370 41.288 -1.994 1.00 0.00 C ATOM 1103 CG2 ILE A 67 11.740 40.364 -2.206 1.00 0.00 C ATOM 1104 CD1 ILE A 67 9.183 40.781 -0.561 1.00 0.00 C ATOM 0 H ILE A 67 8.808 41.666 -5.253 1.00 0.00 H new ATOM 0 HA ILE A 67 11.567 41.300 -4.385 1.00 0.00 H new ATOM 0 HB ILE A 67 9.857 39.484 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 67 9.729 42.316 -1.954 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.397 41.309 -2.485 1.00 0.00 H new ATOM 0 HG21 ILE A 67 11.630 40.033 -1.173 1.00 0.00 H new ATOM 0 HG22 ILE A 67 12.357 39.650 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 67 12.216 41.344 -2.224 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.483 41.429 -0.034 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.790 39.765 -0.583 1.00 0.00 H new ATOM 0 HD13 ILE A 67 10.143 40.788 -0.045 1.00 0.00 H new ATOM 1116 N HIS A 68 11.280 38.927 -5.536 1.00 0.00 N ATOM 1117 CA HIS A 68 11.195 37.825 -6.492 1.00 0.00 C ATOM 1118 C HIS A 68 11.916 36.642 -5.860 1.00 0.00 C ATOM 1119 O HIS A 68 13.066 36.739 -5.420 1.00 0.00 O ATOM 1120 CB HIS A 68 11.803 38.179 -7.884 1.00 0.00 C ATOM 1121 CG HIS A 68 11.263 37.370 -9.054 1.00 0.00 C ATOM 1122 ND1 HIS A 68 10.461 36.234 -8.977 1.00 0.00 N ATOM 1123 CD2 HIS A 68 11.381 37.725 -10.375 1.00 0.00 C ATOM 1124 CE1 HIS A 68 10.081 35.949 -10.235 1.00 0.00 C ATOM 1125 NE2 HIS A 68 10.646 36.818 -11.093 1.00 0.00 N ATOM 0 H HIS A 68 12.178 38.991 -5.057 1.00 0.00 H new ATOM 0 HA HIS A 68 10.149 37.593 -6.693 1.00 0.00 H new ATOM 0 HB2 HIS A 68 11.625 39.236 -8.082 1.00 0.00 H new ATOM 0 HB3 HIS A 68 12.883 38.041 -7.836 1.00 0.00 H new ATOM 0 HD2 HIS A 68 11.944 38.557 -10.771 1.00 0.00 H new ATOM 0 HE1 HIS A 68 9.420 35.142 -10.515 1.00 0.00 H new ATOM 0 HE2 HIS A 68 10.544 36.804 -12.108 1.00 0.00 H new ATOM 1133 N LEU A 69 11.253 35.479 -5.860 1.00 0.00 N ATOM 1134 CA LEU A 69 11.588 34.327 -5.005 1.00 0.00 C ATOM 1135 C LEU A 69 11.337 33.080 -5.879 1.00 0.00 C ATOM 1136 O LEU A 69 10.646 33.167 -6.903 1.00 0.00 O ATOM 1137 CB LEU A 69 10.704 34.228 -3.708 1.00 0.00 C ATOM 1138 CG LEU A 69 10.268 35.543 -3.004 1.00 0.00 C ATOM 1139 CD1 LEU A 69 8.750 35.705 -3.035 1.00 0.00 C ATOM 1140 CD2 LEU A 69 10.711 35.628 -1.541 1.00 0.00 C ATOM 0 H LEU A 69 10.451 35.306 -6.466 1.00 0.00 H new ATOM 0 HA LEU A 69 12.617 34.423 -4.657 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.801 33.674 -3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 69 11.250 33.628 -2.980 1.00 0.00 H new ATOM 0 HG LEU A 69 10.761 36.338 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.473 36.633 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 69 8.408 35.734 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.284 34.864 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.373 36.571 -1.113 1.00 0.00 H new ATOM 0 HD22 LEU A 69 10.278 34.799 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.798 35.574 -1.486 1.00 0.00 H new ATOM 1152 N THR A 70 11.704 31.883 -5.423 1.00 0.00 N ATOM 1153 CA THR A 70 11.532 30.697 -6.289 1.00 0.00 C ATOM 1154 C THR A 70 10.378 29.890 -5.681 1.00 0.00 C ATOM 1155 O THR A 70 9.909 30.100 -4.560 1.00 0.00 O ATOM 1156 CB THR A 70 12.823 29.813 -6.469 1.00 0.00 C ATOM 1157 OG1 THR A 70 13.434 29.383 -5.286 1.00 0.00 O ATOM 1158 CG2 THR A 70 13.907 30.531 -7.276 1.00 0.00 C ATOM 0 H THR A 70 12.105 31.702 -4.503 1.00 0.00 H new ATOM 0 HA THR A 70 11.317 31.031 -7.304 1.00 0.00 H new ATOM 0 HB THR A 70 12.430 28.940 -6.991 1.00 0.00 H new ATOM 0 HG1 THR A 70 12.838 29.558 -4.528 1.00 0.00 H new ATOM 0 HG21 THR A 70 14.778 29.882 -7.374 1.00 0.00 H new ATOM 0 HG22 THR A 70 13.522 30.774 -8.267 1.00 0.00 H new ATOM 0 HG23 THR A 70 14.194 31.449 -6.763 1.00 0.00 H new ATOM 1166 N LEU A 71 9.825 29.007 -6.511 1.00 0.00 N ATOM 1167 CA LEU A 71 8.569 28.272 -6.285 1.00 0.00 C ATOM 1168 C LEU A 71 8.595 27.051 -7.222 1.00 0.00 C ATOM 1169 O LEU A 71 9.254 27.063 -8.270 1.00 0.00 O ATOM 1170 CB LEU A 71 7.321 29.171 -6.532 1.00 0.00 C ATOM 1171 CG LEU A 71 5.924 28.506 -6.622 1.00 0.00 C ATOM 1172 CD1 LEU A 71 4.796 29.389 -6.062 1.00 0.00 C ATOM 1173 CD2 LEU A 71 5.534 28.192 -8.062 1.00 0.00 C ATOM 0 H LEU A 71 10.257 28.769 -7.404 1.00 0.00 H new ATOM 0 HA LEU A 71 8.492 27.953 -5.246 1.00 0.00 H new ATOM 0 HB2 LEU A 71 7.283 29.909 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 71 7.487 29.716 -7.461 1.00 0.00 H new ATOM 0 HG LEU A 71 6.024 27.598 -6.027 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.844 28.866 -6.155 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.991 29.605 -5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 71 4.753 30.323 -6.622 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.548 27.727 -8.079 1.00 0.00 H new ATOM 0 HD22 LEU A 71 5.510 29.115 -8.642 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.265 27.510 -8.496 1.00 0.00 H new ATOM 1185 N LYS A 72 7.853 26.003 -6.867 1.00 0.00 N ATOM 1186 CA LYS A 72 7.799 24.749 -7.600 1.00 0.00 C ATOM 1187 C LYS A 72 6.451 24.091 -7.272 1.00 0.00 C ATOM 1188 O LYS A 72 6.168 23.764 -6.118 1.00 0.00 O ATOM 1189 CB LYS A 72 9.000 23.837 -7.187 1.00 0.00 C ATOM 1190 CG LYS A 72 9.075 22.526 -7.989 1.00 0.00 C ATOM 1191 CD LYS A 72 9.288 21.291 -7.107 1.00 0.00 C ATOM 1192 CE LYS A 72 10.630 21.299 -6.367 1.00 0.00 C ATOM 1193 NZ LYS A 72 11.402 20.066 -6.625 1.00 0.00 N ATOM 0 H LYS A 72 7.258 26.008 -6.038 1.00 0.00 H new ATOM 0 HA LYS A 72 7.878 24.912 -8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.930 24.390 -7.321 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.920 23.601 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 72 8.154 22.403 -8.559 1.00 0.00 H new ATOM 0 HG3 LYS A 72 9.890 22.595 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 72 8.480 21.230 -6.378 1.00 0.00 H new ATOM 0 HD3 LYS A 72 9.228 20.396 -7.726 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.213 22.166 -6.679 1.00 0.00 H new ATOM 0 HE3 LYS A 72 10.455 21.402 -5.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.304 20.106 -6.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 10.856 19.241 -6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.591 19.981 -7.644 1.00 0.00 H new ATOM 1207 N VAL A 73 5.750 23.647 -8.313 1.00 0.00 N ATOM 1208 CA VAL A 73 4.391 23.081 -8.196 1.00 0.00 C ATOM 1209 C VAL A 73 4.486 21.668 -8.786 1.00 0.00 C ATOM 1210 O VAL A 73 5.155 21.420 -9.787 1.00 0.00 O ATOM 1211 CB VAL A 73 3.232 23.886 -8.898 1.00 0.00 C ATOM 1212 CG1 VAL A 73 3.683 25.122 -9.692 1.00 0.00 C ATOM 1213 CG2 VAL A 73 2.315 23.068 -9.825 1.00 0.00 C ATOM 0 H VAL A 73 6.103 23.666 -9.270 1.00 0.00 H new ATOM 0 HA VAL A 73 4.106 23.112 -7.144 1.00 0.00 H new ATOM 0 HB VAL A 73 2.667 24.196 -8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 73 2.813 25.606 -10.136 1.00 0.00 H new ATOM 0 HG12 VAL A 73 4.185 25.821 -9.023 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.371 24.817 -10.481 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.555 23.721 -10.253 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.908 22.627 -10.626 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.832 22.276 -9.253 1.00 0.00 H new ATOM 1223 N VAL A 74 3.999 20.721 -7.982 1.00 0.00 N ATOM 1224 CA VAL A 74 4.027 19.263 -8.207 1.00 0.00 C ATOM 1225 C VAL A 74 2.732 18.663 -7.622 1.00 0.00 C ATOM 1226 O VAL A 74 2.240 19.195 -6.640 1.00 0.00 O ATOM 1227 CB VAL A 74 5.290 18.631 -7.563 1.00 0.00 C ATOM 1228 CG1 VAL A 74 5.390 17.114 -7.792 1.00 0.00 C ATOM 1229 CG2 VAL A 74 6.609 19.220 -8.086 1.00 0.00 C ATOM 0 H VAL A 74 3.545 20.960 -7.100 1.00 0.00 H new ATOM 0 HA VAL A 74 4.078 19.047 -9.274 1.00 0.00 H new ATOM 0 HB VAL A 74 5.161 18.860 -6.505 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.294 16.733 -7.317 1.00 0.00 H new ATOM 0 HG12 VAL A 74 4.519 16.623 -7.359 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.428 16.909 -8.862 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.448 18.730 -7.591 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.678 19.059 -9.162 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.638 20.289 -7.877 1.00 0.00 H new ATOM 1239 N LYS A 75 2.294 17.510 -8.162 1.00 0.00 N ATOM 1240 CA LYS A 75 1.102 16.724 -7.769 1.00 0.00 C ATOM 1241 C LYS A 75 -0.200 17.531 -7.862 1.00 0.00 C ATOM 1242 O LYS A 75 -0.586 18.124 -6.839 1.00 0.00 O ATOM 1243 CB LYS A 75 1.307 16.045 -6.399 1.00 0.00 C ATOM 1244 CG LYS A 75 2.413 14.975 -6.420 1.00 0.00 C ATOM 1245 CD LYS A 75 1.867 13.544 -6.331 1.00 0.00 C ATOM 1246 CE LYS A 75 3.003 12.514 -6.257 1.00 0.00 C ATOM 1247 NZ LYS A 75 3.869 12.542 -7.456 1.00 0.00 N ATOM 0 H LYS A 75 2.794 17.071 -8.935 1.00 0.00 H new ATOM 0 HA LYS A 75 0.986 15.923 -8.499 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.556 16.804 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.370 15.586 -6.083 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.994 15.080 -7.336 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.095 15.150 -5.588 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.231 13.450 -5.451 1.00 0.00 H new ATOM 0 HD3 LYS A 75 1.242 13.337 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.608 12.707 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.579 11.517 -6.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.523 11.734 -7.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.280 12.484 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.413 13.428 -7.470 1.00 0.00 H new TER 1261 LYS A 75