USER MOD reduce.3.24.130724 H: found=0, std=0, add=992, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 989 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 105 SER OG : rot 83:sc= 0.16 USER MOD Set 1.2: A 112 THR OG1 : rot 180:sc=0.000746 USER MOD Set 2.1: A 87 GLN : amide:sc= -0.187 X(o=0.0059,f=-0.0076) USER MOD Set 2.2: A 90 SER OG : rot -60:sc= 0.192 USER MOD Set 3.1: A 39 GLN : amide:sc= -1.25 X(o=-1.2,f=-0.86) USER MOD Set 3.2: A 40 SER OG : rot 47:sc= 0.0104 USER MOD Set 4.1: A 13 THR OG1 : rot 180:sc= 0.119 USER MOD Set 4.2: A 17 ASN : amide:sc= -0.0582 X(o=0.061,f=0.23) USER MOD Set 5.1: A 12 SER OG : rot 140:sc= -0.788 USER MOD Set 5.2: A 18 LYS NZ :NH3+ -151:sc= -0.163 (180deg=-0.674) USER MOD Single : A 1 GLN : amide:sc= -0.371 X(o=-0.37,f=0) USER MOD Single : A 1 GLN N :NH3+ -97:sc= 0.0433 (180deg=-0.368) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 ASN : amide:sc= -0.856 X(o=-0.86,f=-0.59) USER MOD Single : A 8 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.51) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.0447 K(o=-0.045,f=-2.6!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -130:sc= -0.905 (180deg=-1.35) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -45:sc= 0.304 USER MOD Single : A 30 ASN : amide:sc= -0.0074 K(o=-0.0074,f=-1.6) USER MOD Single : A 31 CYS SG : rot 75:sc= -0.11 USER MOD Single : A 32 LYS NZ :NH3+ 166:sc= -1 (180deg=-1.79) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 ASN : amide:sc= -1.93! C(o=-1.9!,f=-2.7!) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -2.35 K(o=-2.3,f=-6.7!) USER MOD Single : A 48 LYS NZ :NH3+ 135:sc= -1.45 (180deg=-3.8!) USER MOD Single : A 50 ASN : amide:sc= -2.46 K(o=-2.5,f=-3.5!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 157:sc= -0.071 (180deg=-0.451) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -2.99 K(o=-3,f=-4.2!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot -16:sc= 1.05 USER MOD Single : A 71 GLN : amide:sc= -0.028 K(o=-0.028,f=-0.74) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 74 SER OG : rot 180:sc= 0.0168 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 GLN : amide:sc=-0.00741 K(o=-0.0074,f=0.88) USER MOD Single : A 83 SER OG : rot 180:sc= -0.469 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 TYR OH : rot 180:sc=-0.00503 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 103 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 106 GLN : amide:sc= -0.006 X(o=-0.006,f=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 GLN : amide:sc= -0.186 X(o=-0.19,f=-0.31) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 -2.739 -1.491 -4.638 1.00 10.33 N ATOM 2 CA GLN A 1 -1.527 -0.687 -4.745 1.00 12.24 C ATOM 3 C GLN A 1 -1.322 0.158 -3.492 1.00 14.33 C ATOM 4 O GLN A 1 -2.240 0.330 -2.690 1.00 34.23 O ATOM 5 CB GLN A 1 -1.596 0.216 -5.977 1.00 61.05 C ATOM 6 CG GLN A 1 -0.742 -0.271 -7.137 1.00 23.33 C ATOM 7 CD GLN A 1 -1.570 -0.809 -8.287 1.00 15.42 C ATOM 8 OE1 GLN A 1 -1.581 -0.239 -9.379 1.00 30.44 O ATOM 9 NE2 GLN A 1 -2.271 -1.911 -8.048 1.00 20.14 N ATOM 0 H1 GLN A 1 -2.493 -2.450 -4.318 1.00 10.33 H new ATOM 0 H2 GLN A 1 -3.387 -1.053 -3.952 1.00 10.33 H new ATOM 0 H3 GLN A 1 -3.203 -1.544 -5.567 1.00 10.33 H new ATOM 0 HA GLN A 1 -0.680 -1.365 -4.847 1.00 12.24 H new ATOM 0 HB2 GLN A 1 -2.633 0.290 -6.306 1.00 61.05 H new ATOM 0 HB3 GLN A 1 -1.278 1.221 -5.699 1.00 61.05 H new ATOM 0 HG2 GLN A 1 -0.120 0.550 -7.495 1.00 23.33 H new ATOM 0 HG3 GLN A 1 -0.068 -1.051 -6.784 1.00 23.33 H new ATOM 0 HE21 GLN A 1 -2.233 -2.350 -7.128 1.00 20.14 H new ATOM 0 HE22 GLN A 1 -2.848 -2.318 -8.784 1.00 20.14 H new ATOM 18 N SER A 2 -0.112 0.684 -3.330 1.00 33.14 N ATOM 19 CA SER A 2 0.214 1.508 -2.172 1.00 24.12 C ATOM 20 C SER A 2 0.600 2.920 -2.602 1.00 13.25 C ATOM 21 O SER A 2 1.589 3.479 -2.125 1.00 33.21 O ATOM 22 CB SER A 2 1.357 0.875 -1.375 1.00 41.42 C ATOM 23 OG SER A 2 1.130 -0.508 -1.169 1.00 23.20 O ATOM 0 H SER A 2 0.658 0.554 -3.986 1.00 33.14 H new ATOM 0 HA SER A 2 -0.671 1.569 -1.539 1.00 24.12 H new ATOM 0 HB2 SER A 2 2.298 1.017 -1.907 1.00 41.42 H new ATOM 0 HB3 SER A 2 1.456 1.378 -0.413 1.00 41.42 H new ATOM 0 HG SER A 2 1.875 -0.889 -0.659 1.00 23.20 H new ATOM 29 N LEU A 3 -0.188 3.492 -3.505 1.00 51.33 N ATOM 30 CA LEU A 3 0.069 4.840 -4.001 1.00 0.12 C ATOM 31 C LEU A 3 -1.022 5.281 -4.971 1.00 73.10 C ATOM 32 O LEU A 3 -1.587 4.465 -5.698 1.00 65.23 O ATOM 33 CB LEU A 3 1.434 4.900 -4.689 1.00 72.12 C ATOM 34 CG LEU A 3 1.725 3.791 -5.701 1.00 35.33 C ATOM 35 CD1 LEU A 3 1.855 4.367 -7.102 1.00 22.10 C ATOM 36 CD2 LEU A 3 2.986 3.033 -5.314 1.00 4.33 C ATOM 0 H LEU A 3 -1.010 3.044 -3.909 1.00 51.33 H new ATOM 0 HA LEU A 3 0.068 5.520 -3.149 1.00 0.12 H new ATOM 0 HB2 LEU A 3 1.520 5.860 -5.198 1.00 72.12 H new ATOM 0 HB3 LEU A 3 2.207 4.875 -3.921 1.00 72.12 H new ATOM 0 HG LEU A 3 0.889 3.092 -5.695 1.00 35.33 H new ATOM 0 HD11 LEU A 3 2.062 3.563 -7.808 1.00 22.10 H new ATOM 0 HD12 LEU A 3 0.925 4.863 -7.379 1.00 22.10 H new ATOM 0 HD13 LEU A 3 2.672 5.089 -7.124 1.00 22.10 H new ATOM 0 HD21 LEU A 3 3.177 2.248 -6.045 1.00 4.33 H new ATOM 0 HD22 LEU A 3 3.831 3.721 -5.290 1.00 4.33 H new ATOM 0 HD23 LEU A 3 2.854 2.586 -4.328 1.00 4.33 H new ATOM 48 N ASN A 4 -1.313 6.578 -4.977 1.00 62.12 N ATOM 49 CA ASN A 4 -2.336 7.128 -5.860 1.00 24.25 C ATOM 50 C ASN A 4 -1.840 7.179 -7.301 1.00 62.15 C ATOM 51 O ASN A 4 -0.639 7.159 -7.572 1.00 61.03 O ATOM 52 CB ASN A 4 -2.738 8.530 -5.397 1.00 22.43 C ATOM 53 CG ASN A 4 -3.801 8.499 -4.316 1.00 30.32 C ATOM 54 OD1 ASN A 4 -3.618 9.057 -3.234 1.00 34.22 O ATOM 55 ND2 ASN A 4 -4.920 7.844 -4.605 1.00 24.11 N ATOM 0 H ASN A 4 -0.855 7.268 -4.381 1.00 62.12 H new ATOM 0 HA ASN A 4 -3.207 6.475 -5.817 1.00 24.25 H new ATOM 0 HB2 ASN A 4 -1.858 9.052 -5.022 1.00 22.43 H new ATOM 0 HB3 ASN A 4 -3.107 9.099 -6.250 1.00 22.43 H new ATOM 0 HD21 ASN A 4 -5.671 7.789 -3.917 1.00 24.11 H new ATOM 0 HD22 ASN A 4 -5.028 7.396 -5.515 1.00 24.11 H new ATOM 62 N PRO A 5 -2.785 7.247 -8.250 1.00 55.12 N ATOM 63 CA PRO A 5 -2.469 7.304 -9.680 1.00 72.35 C ATOM 64 C PRO A 5 -1.833 8.630 -10.081 1.00 50.24 C ATOM 65 O PRO A 5 -1.055 8.694 -11.033 1.00 75.11 O ATOM 66 CB PRO A 5 -3.835 7.141 -10.352 1.00 61.04 C ATOM 67 CG PRO A 5 -4.815 7.628 -9.342 1.00 1.52 C ATOM 68 CD PRO A 5 -4.236 7.275 -8.000 1.00 33.43 C ATOM 0 HA PRO A 5 -1.744 6.543 -9.968 1.00 72.35 H new ATOM 0 HB2 PRO A 5 -3.895 7.721 -11.273 1.00 61.04 H new ATOM 0 HB3 PRO A 5 -4.024 6.101 -10.617 1.00 61.04 H new ATOM 0 HG2 PRO A 5 -4.966 8.704 -9.431 1.00 1.52 H new ATOM 0 HG3 PRO A 5 -5.788 7.157 -9.483 1.00 1.52 H new ATOM 0 HD2 PRO A 5 -4.499 8.013 -7.242 1.00 33.43 H new ATOM 0 HD3 PRO A 5 -4.601 6.311 -7.646 1.00 33.43 H new ATOM 76 N ALA A 6 -2.168 9.687 -9.349 1.00 12.31 N ATOM 77 CA ALA A 6 -1.627 11.012 -9.627 1.00 73.01 C ATOM 78 C ALA A 6 -1.820 11.387 -11.092 1.00 52.15 C ATOM 79 O ALA A 6 -1.024 12.134 -11.663 1.00 12.43 O ATOM 80 CB ALA A 6 -0.153 11.069 -9.255 1.00 60.34 C ATOM 0 H ALA A 6 -2.812 9.652 -8.559 1.00 12.31 H new ATOM 0 HA ALA A 6 -2.172 11.735 -9.019 1.00 73.01 H new ATOM 0 HB1 ALA A 6 0.238 12.064 -9.468 1.00 60.34 H new ATOM 0 HB2 ALA A 6 -0.037 10.853 -8.193 1.00 60.34 H new ATOM 0 HB3 ALA A 6 0.398 10.331 -9.837 1.00 60.34 H new ATOM 86 N LEU A 7 -2.881 10.864 -11.697 1.00 61.04 N ATOM 87 CA LEU A 7 -3.178 11.144 -13.098 1.00 33.40 C ATOM 88 C LEU A 7 -4.346 12.117 -13.223 1.00 31.11 C ATOM 89 O LEU A 7 -4.386 12.938 -14.139 1.00 32.13 O ATOM 90 CB LEU A 7 -3.500 9.846 -13.841 1.00 23.54 C ATOM 91 CG LEU A 7 -2.542 9.464 -14.970 1.00 32.41 C ATOM 92 CD1 LEU A 7 -2.939 8.127 -15.577 1.00 22.31 C ATOM 93 CD2 LEU A 7 -2.516 10.549 -16.036 1.00 65.35 C ATOM 0 H LEU A 7 -3.550 10.244 -11.240 1.00 61.04 H new ATOM 0 HA LEU A 7 -2.297 11.603 -13.546 1.00 33.40 H new ATOM 0 HB2 LEU A 7 -3.520 9.032 -13.117 1.00 23.54 H new ATOM 0 HB3 LEU A 7 -4.505 9.928 -14.256 1.00 23.54 H new ATOM 0 HG LEU A 7 -1.539 9.367 -14.554 1.00 32.41 H new ATOM 0 HD11 LEU A 7 -2.246 7.871 -16.379 1.00 22.31 H new ATOM 0 HD12 LEU A 7 -2.906 7.354 -14.809 1.00 22.31 H new ATOM 0 HD13 LEU A 7 -3.950 8.196 -15.979 1.00 22.31 H new ATOM 0 HD21 LEU A 7 -1.829 10.261 -16.832 1.00 65.35 H new ATOM 0 HD22 LEU A 7 -3.517 10.677 -16.449 1.00 65.35 H new ATOM 0 HD23 LEU A 7 -2.184 11.487 -15.592 1.00 65.35 H new ATOM 105 N GLN A 8 -5.293 12.020 -12.295 1.00 24.51 N ATOM 106 CA GLN A 8 -6.460 12.893 -12.301 1.00 74.30 C ATOM 107 C GLN A 8 -6.837 13.308 -10.883 1.00 31.13 C ATOM 108 O GLN A 8 -7.984 13.154 -10.465 1.00 73.33 O ATOM 109 CB GLN A 8 -7.644 12.192 -12.971 1.00 44.44 C ATOM 110 CG GLN A 8 -7.608 12.257 -14.490 1.00 13.43 C ATOM 111 CD GLN A 8 -7.803 13.665 -15.018 1.00 64.24 C ATOM 112 OE1 GLN A 8 -6.855 14.447 -15.096 1.00 50.44 O ATOM 113 NE2 GLN A 8 -9.035 13.995 -15.385 1.00 74.23 N ATOM 0 H GLN A 8 -5.274 11.346 -11.530 1.00 24.51 H new ATOM 0 HA GLN A 8 -6.209 13.789 -12.868 1.00 74.30 H new ATOM 0 HB2 GLN A 8 -7.660 11.147 -12.660 1.00 44.44 H new ATOM 0 HB3 GLN A 8 -8.571 12.644 -12.618 1.00 44.44 H new ATOM 0 HG2 GLN A 8 -6.653 11.869 -14.844 1.00 13.43 H new ATOM 0 HG3 GLN A 8 -8.385 11.610 -14.896 1.00 13.43 H new ATOM 0 HE21 GLN A 8 -9.791 13.315 -15.303 1.00 74.23 H new ATOM 0 HE22 GLN A 8 -9.226 14.929 -15.749 1.00 74.23 H new ATOM 122 N GLU A 9 -5.863 13.835 -10.147 1.00 71.30 N ATOM 123 CA GLU A 9 -6.094 14.271 -8.775 1.00 24.42 C ATOM 124 C GLU A 9 -5.924 15.782 -8.648 1.00 71.13 C ATOM 125 O GLU A 9 -5.245 16.269 -7.744 1.00 33.21 O ATOM 126 CB GLU A 9 -5.133 13.557 -7.821 1.00 41.12 C ATOM 127 CG GLU A 9 -3.667 13.785 -8.151 1.00 32.12 C ATOM 128 CD GLU A 9 -2.739 13.264 -7.071 1.00 43.10 C ATOM 129 OE1 GLU A 9 -3.125 12.306 -6.369 1.00 63.21 O ATOM 130 OE2 GLU A 9 -1.627 13.814 -6.928 1.00 10.24 O ATOM 0 H GLU A 9 -4.908 13.970 -10.478 1.00 71.30 H new ATOM 0 HA GLU A 9 -7.119 14.014 -8.507 1.00 24.42 H new ATOM 0 HB2 GLU A 9 -5.325 13.897 -6.803 1.00 41.12 H new ATOM 0 HB3 GLU A 9 -5.340 12.487 -7.844 1.00 41.12 H new ATOM 0 HG2 GLU A 9 -3.430 13.295 -9.096 1.00 32.12 H new ATOM 0 HG3 GLU A 9 -3.492 14.851 -8.292 1.00 32.12 H new ATOM 137 N LYS A 10 -6.546 16.519 -9.562 1.00 42.51 N ATOM 138 CA LYS A 10 -6.466 17.975 -9.555 1.00 1.35 C ATOM 139 C LYS A 10 -6.998 18.543 -8.242 1.00 62.43 C ATOM 140 O LYS A 10 -7.352 17.795 -7.331 1.00 34.34 O ATOM 141 CB LYS A 10 -7.255 18.556 -10.730 1.00 42.04 C ATOM 142 CG LYS A 10 -6.605 18.308 -12.081 1.00 22.15 C ATOM 143 CD LYS A 10 -5.337 19.129 -12.249 1.00 33.14 C ATOM 144 CE LYS A 10 -4.285 18.373 -13.046 1.00 54.30 C ATOM 145 NZ LYS A 10 -3.085 19.212 -13.316 1.00 10.43 N ATOM 0 H LYS A 10 -7.111 16.132 -10.317 1.00 42.51 H new ATOM 0 HA LYS A 10 -5.418 18.256 -9.655 1.00 1.35 H new ATOM 0 HB2 LYS A 10 -8.256 18.125 -10.733 1.00 42.04 H new ATOM 0 HB3 LYS A 10 -7.371 19.630 -10.584 1.00 42.04 H new ATOM 0 HG2 LYS A 10 -6.370 17.249 -12.184 1.00 22.15 H new ATOM 0 HG3 LYS A 10 -7.309 18.557 -12.875 1.00 22.15 H new ATOM 0 HD2 LYS A 10 -5.573 20.066 -12.753 1.00 33.14 H new ATOM 0 HD3 LYS A 10 -4.937 19.387 -11.269 1.00 33.14 H new ATOM 0 HE2 LYS A 10 -3.987 17.479 -12.498 1.00 54.30 H new ATOM 0 HE3 LYS A 10 -4.715 18.040 -13.990 1.00 54.30 H new ATOM 0 HZ1 LYS A 10 -2.392 18.661 -13.861 1.00 10.43 H new ATOM 0 HZ2 LYS A 10 -3.365 20.053 -13.861 1.00 10.43 H new ATOM 0 HZ3 LYS A 10 -2.659 19.509 -12.415 1.00 10.43 H new ATOM 159 N ILE A 11 -7.052 19.867 -8.154 1.00 44.34 N ATOM 160 CA ILE A 11 -7.543 20.533 -6.955 1.00 1.45 C ATOM 161 C ILE A 11 -7.586 22.046 -7.144 1.00 21.10 C ATOM 162 O ILE A 11 -6.624 22.650 -7.618 1.00 40.02 O ATOM 163 CB ILE A 11 -6.668 20.205 -5.730 1.00 40.43 C ATOM 164 CG1 ILE A 11 -7.233 20.878 -4.477 1.00 71.44 C ATOM 165 CG2 ILE A 11 -5.232 20.646 -5.972 1.00 60.33 C ATOM 166 CD1 ILE A 11 -8.662 20.486 -4.174 1.00 55.32 C ATOM 0 H ILE A 11 -6.762 20.500 -8.899 1.00 44.34 H new ATOM 0 HA ILE A 11 -8.553 20.162 -6.780 1.00 1.45 H new ATOM 0 HB ILE A 11 -6.676 19.126 -5.575 1.00 40.43 H new ATOM 0 HG12 ILE A 11 -6.606 20.623 -3.623 1.00 71.44 H new ATOM 0 HG13 ILE A 11 -7.180 21.960 -4.600 1.00 71.44 H new ATOM 0 HG21 ILE A 11 -4.626 20.408 -5.098 1.00 60.33 H new ATOM 0 HG22 ILE A 11 -4.833 20.125 -6.843 1.00 60.33 H new ATOM 0 HG23 ILE A 11 -5.207 21.721 -6.149 1.00 60.33 H new ATOM 0 HD11 ILE A 11 -8.997 21.000 -3.273 1.00 55.32 H new ATOM 0 HD12 ILE A 11 -9.301 20.766 -5.011 1.00 55.32 H new ATOM 0 HD13 ILE A 11 -8.719 19.409 -4.019 1.00 55.32 H new ATOM 178 N SER A 12 -8.708 22.652 -6.768 1.00 44.25 N ATOM 179 CA SER A 12 -8.877 24.095 -6.899 1.00 34.43 C ATOM 180 C SER A 12 -8.889 24.510 -8.367 1.00 21.13 C ATOM 181 O SER A 12 -7.905 24.328 -9.084 1.00 45.20 O ATOM 182 CB SER A 12 -7.759 24.830 -6.158 1.00 30.04 C ATOM 183 OG SER A 12 -8.078 26.200 -5.983 1.00 65.24 O ATOM 0 H SER A 12 -9.513 22.167 -6.371 1.00 44.25 H new ATOM 0 HA SER A 12 -9.835 24.365 -6.456 1.00 34.43 H new ATOM 0 HB2 SER A 12 -7.595 24.364 -5.186 1.00 30.04 H new ATOM 0 HB3 SER A 12 -6.827 24.739 -6.716 1.00 30.04 H new ATOM 0 HG SER A 12 -7.798 26.490 -5.090 1.00 65.24 H new ATOM 189 N THR A 13 -10.011 25.069 -8.808 1.00 53.51 N ATOM 190 CA THR A 13 -10.153 25.510 -10.190 1.00 54.00 C ATOM 191 C THR A 13 -9.964 27.018 -10.309 1.00 31.14 C ATOM 192 O THR A 13 -8.929 27.487 -10.781 1.00 73.11 O ATOM 193 CB THR A 13 -11.533 25.131 -10.762 1.00 23.35 C ATOM 194 OG1 THR A 13 -12.543 25.312 -9.763 1.00 72.42 O ATOM 195 CG2 THR A 13 -11.541 23.688 -11.243 1.00 23.31 C ATOM 0 H THR A 13 -10.835 25.227 -8.228 1.00 53.51 H new ATOM 0 HA THR A 13 -9.377 25.003 -10.764 1.00 54.00 H new ATOM 0 HB THR A 13 -11.742 25.782 -11.611 1.00 23.35 H new ATOM 0 HG1 THR A 13 -13.417 25.071 -10.134 1.00 72.42 H new ATOM 0 HG21 THR A 13 -12.525 23.443 -11.642 1.00 23.31 H new ATOM 0 HG22 THR A 13 -10.791 23.560 -12.023 1.00 23.31 H new ATOM 0 HG23 THR A 13 -11.313 23.025 -10.408 1.00 23.31 H new ATOM 203 N GLU A 14 -10.970 27.772 -9.876 1.00 61.10 N ATOM 204 CA GLU A 14 -10.912 29.228 -9.935 1.00 35.24 C ATOM 205 C GLU A 14 -10.535 29.813 -8.577 1.00 33.55 C ATOM 206 O GLU A 14 -10.559 31.029 -8.383 1.00 74.20 O ATOM 207 CB GLU A 14 -12.258 29.796 -10.391 1.00 32.54 C ATOM 208 CG GLU A 14 -12.222 30.403 -11.783 1.00 33.11 C ATOM 209 CD GLU A 14 -13.428 31.276 -12.070 1.00 12.43 C ATOM 210 OE1 GLU A 14 -13.504 32.388 -11.506 1.00 43.13 O ATOM 211 OE2 GLU A 14 -14.296 30.847 -12.858 1.00 55.53 O ATOM 0 H GLU A 14 -11.833 27.399 -9.481 1.00 61.10 H new ATOM 0 HA GLU A 14 -10.144 29.506 -10.657 1.00 35.24 H new ATOM 0 HB2 GLU A 14 -13.004 29.002 -10.369 1.00 32.54 H new ATOM 0 HB3 GLU A 14 -12.581 30.557 -9.680 1.00 32.54 H new ATOM 0 HG2 GLU A 14 -11.314 30.996 -11.893 1.00 33.11 H new ATOM 0 HG3 GLU A 14 -12.172 29.604 -12.523 1.00 33.11 H new ATOM 218 N LEU A 15 -10.188 28.938 -7.639 1.00 4.23 N ATOM 219 CA LEU A 15 -9.805 29.366 -6.298 1.00 15.35 C ATOM 220 C LEU A 15 -11.036 29.702 -5.462 1.00 14.23 C ATOM 221 O LEU A 15 -10.941 29.907 -4.252 1.00 64.25 O ATOM 222 CB LEU A 15 -8.879 30.581 -6.373 1.00 52.32 C ATOM 223 CG LEU A 15 -7.693 30.582 -5.409 1.00 24.32 C ATOM 224 CD1 LEU A 15 -6.679 29.520 -5.809 1.00 15.34 C ATOM 225 CD2 LEU A 15 -7.040 31.956 -5.367 1.00 21.21 C ATOM 0 H LEU A 15 -10.164 27.928 -7.782 1.00 4.23 H new ATOM 0 HA LEU A 15 -9.275 28.543 -5.818 1.00 15.35 H new ATOM 0 HB2 LEU A 15 -8.495 30.657 -7.390 1.00 52.32 H new ATOM 0 HB3 LEU A 15 -9.472 31.477 -6.188 1.00 52.32 H new ATOM 0 HG LEU A 15 -8.061 30.346 -4.411 1.00 24.32 H new ATOM 0 HD11 LEU A 15 -5.842 29.535 -5.111 1.00 15.34 H new ATOM 0 HD12 LEU A 15 -7.152 28.538 -5.786 1.00 15.34 H new ATOM 0 HD13 LEU A 15 -6.316 29.725 -6.816 1.00 15.34 H new ATOM 0 HD21 LEU A 15 -6.198 31.938 -4.675 1.00 21.21 H new ATOM 0 HD22 LEU A 15 -6.686 32.221 -6.363 1.00 21.21 H new ATOM 0 HD23 LEU A 15 -7.768 32.695 -5.032 1.00 21.21 H new ATOM 237 N ASN A 16 -12.193 29.755 -6.115 1.00 44.12 N ATOM 238 CA ASN A 16 -13.443 30.064 -5.432 1.00 13.42 C ATOM 239 C ASN A 16 -14.195 28.787 -5.069 1.00 0.45 C ATOM 240 O ASN A 16 -14.693 28.645 -3.953 1.00 33.41 O ATOM 241 CB ASN A 16 -14.323 30.955 -6.312 1.00 70.50 C ATOM 242 CG ASN A 16 -14.182 32.425 -5.971 1.00 1.42 C ATOM 243 OD1 ASN A 16 -14.891 32.945 -5.109 1.00 23.24 O ATOM 244 ND2 ASN A 16 -13.263 33.104 -6.648 1.00 52.21 N ATOM 0 H ASN A 16 -12.290 29.588 -7.117 1.00 44.12 H new ATOM 0 HA ASN A 16 -13.203 30.597 -4.512 1.00 13.42 H new ATOM 0 HB2 ASN A 16 -14.060 30.801 -7.358 1.00 70.50 H new ATOM 0 HB3 ASN A 16 -15.365 30.657 -6.198 1.00 70.50 H new ATOM 0 HD21 ASN A 16 -13.123 34.097 -6.462 1.00 52.21 H new ATOM 0 HD22 ASN A 16 -12.698 32.632 -7.354 1.00 52.21 H new ATOM 251 N ASN A 17 -14.271 27.862 -6.019 1.00 74.41 N ATOM 252 CA ASN A 17 -14.962 26.596 -5.799 1.00 70.05 C ATOM 253 C ASN A 17 -14.110 25.650 -4.959 1.00 10.13 C ATOM 254 O ASN A 17 -14.625 24.726 -4.329 1.00 13.33 O ATOM 255 CB ASN A 17 -15.304 25.939 -7.138 1.00 61.32 C ATOM 256 CG ASN A 17 -15.756 26.946 -8.178 1.00 34.21 C ATOM 257 OD1 ASN A 17 -15.026 27.252 -9.121 1.00 32.04 O ATOM 258 ND2 ASN A 17 -16.966 27.466 -8.010 1.00 14.32 N ATOM 0 H ASN A 17 -13.863 27.964 -6.948 1.00 74.41 H new ATOM 0 HA ASN A 17 -15.885 26.803 -5.257 1.00 70.05 H new ATOM 0 HB2 ASN A 17 -14.431 25.404 -7.510 1.00 61.32 H new ATOM 0 HB3 ASN A 17 -16.090 25.200 -6.986 1.00 61.32 H new ATOM 0 HD21 ASN A 17 -17.325 28.149 -8.678 1.00 14.32 H new ATOM 0 HD22 ASN A 17 -17.537 27.183 -7.213 1.00 14.32 H new ATOM 265 N LYS A 18 -12.803 25.887 -4.953 1.00 43.31 N ATOM 266 CA LYS A 18 -11.878 25.059 -4.189 1.00 25.01 C ATOM 267 C LYS A 18 -12.326 24.941 -2.736 1.00 32.32 C ATOM 268 O LYS A 18 -12.112 23.913 -2.093 1.00 1.50 O ATOM 269 CB LYS A 18 -10.465 25.645 -4.252 1.00 31.24 C ATOM 270 CG LYS A 18 -10.281 26.881 -3.389 1.00 43.30 C ATOM 271 CD LYS A 18 -9.764 26.524 -2.005 1.00 40.15 C ATOM 272 CE LYS A 18 -8.744 27.539 -1.512 1.00 52.01 C ATOM 273 NZ LYS A 18 -7.530 27.568 -2.373 1.00 43.52 N ATOM 0 H LYS A 18 -12.360 26.647 -5.469 1.00 43.31 H new ATOM 0 HA LYS A 18 -11.872 24.063 -4.631 1.00 25.01 H new ATOM 0 HB2 LYS A 18 -9.751 24.884 -3.939 1.00 31.24 H new ATOM 0 HB3 LYS A 18 -10.230 25.896 -5.286 1.00 31.24 H new ATOM 0 HG2 LYS A 18 -9.583 27.564 -3.874 1.00 43.30 H new ATOM 0 HG3 LYS A 18 -11.231 27.407 -3.299 1.00 43.30 H new ATOM 0 HD2 LYS A 18 -10.598 26.476 -1.305 1.00 40.15 H new ATOM 0 HD3 LYS A 18 -9.310 25.533 -2.029 1.00 40.15 H new ATOM 0 HE2 LYS A 18 -9.198 28.530 -1.491 1.00 52.01 H new ATOM 0 HE3 LYS A 18 -8.458 27.298 -0.488 1.00 52.01 H new ATOM 0 HZ1 LYS A 18 -6.707 27.850 -1.803 1.00 43.52 H new ATOM 0 HZ2 LYS A 18 -7.366 26.622 -2.773 1.00 43.52 H new ATOM 0 HZ3 LYS A 18 -7.668 28.252 -3.145 1.00 43.52 H new ATOM 287 N GLN A 19 -12.950 25.998 -2.226 1.00 73.30 N ATOM 288 CA GLN A 19 -13.429 26.011 -0.849 1.00 34.40 C ATOM 289 C GLN A 19 -14.598 25.047 -0.670 1.00 52.33 C ATOM 290 O GLN A 19 -14.645 24.284 0.295 1.00 42.21 O ATOM 291 CB GLN A 19 -13.853 27.425 -0.447 1.00 65.41 C ATOM 292 CG GLN A 19 -12.746 28.223 0.223 1.00 13.14 C ATOM 293 CD GLN A 19 -12.306 29.416 -0.601 1.00 42.43 C ATOM 294 OE1 GLN A 19 -11.774 29.263 -1.701 1.00 41.12 O ATOM 295 NE2 GLN A 19 -12.526 30.615 -0.073 1.00 65.24 N ATOM 0 H GLN A 19 -13.136 26.856 -2.745 1.00 73.30 H new ATOM 0 HA GLN A 19 -12.612 25.687 -0.204 1.00 34.40 H new ATOM 0 HB2 GLN A 19 -14.190 27.961 -1.334 1.00 65.41 H new ATOM 0 HB3 GLN A 19 -14.705 27.362 0.230 1.00 65.41 H new ATOM 0 HG2 GLN A 19 -13.091 28.567 1.198 1.00 13.14 H new ATOM 0 HG3 GLN A 19 -11.890 27.572 0.399 1.00 13.14 H new ATOM 0 HE21 GLN A 19 -12.970 30.696 0.842 1.00 65.24 H new ATOM 0 HE22 GLN A 19 -12.251 31.455 -0.582 1.00 65.24 H new ATOM 304 N TYR A 20 -15.540 25.088 -1.606 1.00 12.11 N ATOM 305 CA TYR A 20 -16.711 24.221 -1.550 1.00 61.32 C ATOM 306 C TYR A 20 -16.326 22.769 -1.817 1.00 73.34 C ATOM 307 O TYR A 20 -16.840 21.852 -1.177 1.00 60.13 O ATOM 308 CB TYR A 20 -17.759 24.678 -2.566 1.00 60.43 C ATOM 309 CG TYR A 20 -18.439 25.975 -2.193 1.00 12.32 C ATOM 310 CD1 TYR A 20 -19.561 25.983 -1.373 1.00 10.21 C ATOM 311 CD2 TYR A 20 -17.961 27.193 -2.660 1.00 41.03 C ATOM 312 CE1 TYR A 20 -20.186 27.166 -1.029 1.00 53.34 C ATOM 313 CE2 TYR A 20 -18.579 28.381 -2.321 1.00 21.13 C ATOM 314 CZ TYR A 20 -19.691 28.362 -1.505 1.00 52.44 C ATOM 315 OH TYR A 20 -20.310 29.544 -1.166 1.00 75.51 O ATOM 0 H TYR A 20 -15.515 25.712 -2.412 1.00 12.11 H new ATOM 0 HA TYR A 20 -17.134 24.288 -0.548 1.00 61.32 H new ATOM 0 HB2 TYR A 20 -17.282 24.794 -3.539 1.00 60.43 H new ATOM 0 HB3 TYR A 20 -18.514 23.899 -2.672 1.00 60.43 H new ATOM 0 HD1 TYR A 20 -19.951 25.048 -0.998 1.00 10.21 H new ATOM 0 HD2 TYR A 20 -17.091 27.211 -3.299 1.00 41.03 H new ATOM 0 HE1 TYR A 20 -21.057 27.154 -0.391 1.00 53.34 H new ATOM 0 HE2 TYR A 20 -18.194 29.319 -2.693 1.00 21.13 H new ATOM 0 HH TYR A 20 -19.835 30.293 -1.583 1.00 75.51 H new ATOM 325 N GLU A 21 -15.418 22.569 -2.768 1.00 12.14 N ATOM 326 CA GLU A 21 -14.964 21.229 -3.120 1.00 74.11 C ATOM 327 C GLU A 21 -14.124 20.626 -1.998 1.00 11.32 C ATOM 328 O GLU A 21 -14.315 19.471 -1.615 1.00 54.21 O ATOM 329 CB GLU A 21 -14.152 21.266 -4.416 1.00 74.14 C ATOM 330 CG GLU A 21 -13.857 19.890 -4.989 1.00 21.20 C ATOM 331 CD GLU A 21 -15.081 18.995 -5.018 1.00 24.21 C ATOM 332 OE1 GLU A 21 -16.004 19.279 -5.809 1.00 51.22 O ATOM 333 OE2 GLU A 21 -15.115 18.011 -4.250 1.00 12.02 O ATOM 0 H GLU A 21 -14.983 23.317 -3.308 1.00 12.14 H new ATOM 0 HA GLU A 21 -15.844 20.603 -3.268 1.00 74.11 H new ATOM 0 HB2 GLU A 21 -14.695 21.851 -5.159 1.00 74.14 H new ATOM 0 HB3 GLU A 21 -13.210 21.782 -4.230 1.00 74.14 H new ATOM 0 HG2 GLU A 21 -13.467 19.998 -6.001 1.00 21.20 H new ATOM 0 HG3 GLU A 21 -13.077 19.413 -4.396 1.00 21.20 H new ATOM 340 N LEU A 22 -13.193 21.416 -1.475 1.00 2.13 N ATOM 341 CA LEU A 22 -12.322 20.962 -0.396 1.00 62.23 C ATOM 342 C LEU A 22 -13.123 20.691 0.873 1.00 21.41 C ATOM 343 O LEU A 22 -12.781 19.806 1.659 1.00 41.44 O ATOM 344 CB LEU A 22 -11.238 22.004 -0.116 1.00 41.21 C ATOM 345 CG LEU A 22 -10.141 21.585 0.863 1.00 2.21 C ATOM 346 CD1 LEU A 22 -8.823 22.255 0.506 1.00 23.53 C ATOM 347 CD2 LEU A 22 -10.543 21.923 2.291 1.00 12.03 C ATOM 0 H LEU A 22 -13.022 22.374 -1.780 1.00 2.13 H new ATOM 0 HA LEU A 22 -11.850 20.031 -0.711 1.00 62.23 H new ATOM 0 HB2 LEU A 22 -10.769 22.274 -1.062 1.00 41.21 H new ATOM 0 HB3 LEU A 22 -11.718 22.903 0.270 1.00 41.21 H new ATOM 0 HG LEU A 22 -10.008 20.506 0.790 1.00 2.21 H new ATOM 0 HD11 LEU A 22 -8.054 21.945 1.214 1.00 23.53 H new ATOM 0 HD12 LEU A 22 -8.528 21.963 -0.502 1.00 23.53 H new ATOM 0 HD13 LEU A 22 -8.942 23.338 0.550 1.00 23.53 H new ATOM 0 HD21 LEU A 22 -9.750 21.618 2.974 1.00 12.03 H new ATOM 0 HD22 LEU A 22 -10.704 22.997 2.379 1.00 12.03 H new ATOM 0 HD23 LEU A 22 -11.463 21.396 2.544 1.00 12.03 H new ATOM 359 N PHE A 23 -14.192 21.456 1.067 1.00 61.13 N ATOM 360 CA PHE A 23 -15.043 21.298 2.240 1.00 31.41 C ATOM 361 C PHE A 23 -15.628 19.890 2.302 1.00 70.42 C ATOM 362 O PHE A 23 -15.569 19.226 3.337 1.00 42.43 O ATOM 363 CB PHE A 23 -16.172 22.331 2.221 1.00 62.51 C ATOM 364 CG PHE A 23 -15.994 23.431 3.228 1.00 54.05 C ATOM 365 CD1 PHE A 23 -14.776 24.077 3.360 1.00 21.11 C ATOM 366 CD2 PHE A 23 -17.046 23.819 4.042 1.00 53.24 C ATOM 367 CE1 PHE A 23 -14.609 25.090 4.285 1.00 14.42 C ATOM 368 CE2 PHE A 23 -16.886 24.832 4.968 1.00 1.21 C ATOM 369 CZ PHE A 23 -15.666 25.468 5.091 1.00 64.40 C ATOM 0 H PHE A 23 -14.490 22.192 0.426 1.00 61.13 H new ATOM 0 HA PHE A 23 -14.429 21.457 3.127 1.00 31.41 H new ATOM 0 HB2 PHE A 23 -16.237 22.768 1.225 1.00 62.51 H new ATOM 0 HB3 PHE A 23 -17.119 21.826 2.410 1.00 62.51 H new ATOM 0 HD1 PHE A 23 -13.947 23.786 2.732 1.00 21.11 H new ATOM 0 HD2 PHE A 23 -18.002 23.324 3.952 1.00 53.24 H new ATOM 0 HE1 PHE A 23 -13.654 25.586 4.378 1.00 14.42 H new ATOM 0 HE2 PHE A 23 -17.714 25.126 5.595 1.00 1.21 H new ATOM 0 HZ PHE A 23 -15.538 26.259 5.815 1.00 64.40 H new ATOM 379 N MET A 24 -16.193 19.441 1.186 1.00 72.22 N ATOM 380 CA MET A 24 -16.789 18.112 1.112 1.00 24.43 C ATOM 381 C MET A 24 -15.714 17.043 0.937 1.00 2.43 C ATOM 382 O MET A 24 -15.844 15.928 1.442 1.00 11.14 O ATOM 383 CB MET A 24 -17.788 18.040 -0.044 1.00 10.32 C ATOM 384 CG MET A 24 -19.235 17.937 0.409 1.00 12.05 C ATOM 385 SD MET A 24 -19.979 19.548 0.731 1.00 21.23 S ATOM 386 CE MET A 24 -19.577 19.766 2.463 1.00 14.12 C ATOM 0 H MET A 24 -16.251 19.978 0.321 1.00 72.22 H new ATOM 0 HA MET A 24 -17.314 17.925 2.048 1.00 24.43 H new ATOM 0 HB2 MET A 24 -17.673 18.926 -0.668 1.00 10.32 H new ATOM 0 HB3 MET A 24 -17.549 17.178 -0.667 1.00 10.32 H new ATOM 0 HG2 MET A 24 -19.815 17.420 -0.355 1.00 12.05 H new ATOM 0 HG3 MET A 24 -19.286 17.330 1.313 1.00 12.05 H new ATOM 0 HE1 MET A 24 -20.476 20.044 3.013 1.00 14.12 H new ATOM 0 HE2 MET A 24 -19.179 18.834 2.864 1.00 14.12 H new ATOM 0 HE3 MET A 24 -18.830 20.553 2.567 1.00 14.12 H new ATOM 396 N LYS A 25 -14.652 17.391 0.218 1.00 2.14 N ATOM 397 CA LYS A 25 -13.553 16.463 -0.023 1.00 14.11 C ATOM 398 C LYS A 25 -12.828 16.128 1.277 1.00 53.53 C ATOM 399 O LYS A 25 -12.413 14.990 1.491 1.00 23.12 O ATOM 400 CB LYS A 25 -12.568 17.059 -1.031 1.00 24.44 C ATOM 401 CG LYS A 25 -11.624 16.034 -1.637 1.00 74.01 C ATOM 402 CD LYS A 25 -10.345 15.906 -0.827 1.00 71.42 C ATOM 403 CE LYS A 25 -9.291 16.900 -1.289 1.00 11.42 C ATOM 404 NZ LYS A 25 -8.508 17.448 -0.147 1.00 3.20 N ATOM 0 H LYS A 25 -14.529 18.309 -0.208 1.00 2.14 H new ATOM 0 HA LYS A 25 -13.970 15.543 -0.432 1.00 14.11 H new ATOM 0 HB2 LYS A 25 -13.128 17.543 -1.831 1.00 24.44 H new ATOM 0 HB3 LYS A 25 -11.981 17.834 -0.538 1.00 24.44 H new ATOM 0 HG2 LYS A 25 -12.122 15.066 -1.688 1.00 74.01 H new ATOM 0 HG3 LYS A 25 -11.381 16.322 -2.660 1.00 74.01 H new ATOM 0 HD2 LYS A 25 -10.563 16.070 0.228 1.00 71.42 H new ATOM 0 HD3 LYS A 25 -9.955 14.892 -0.918 1.00 71.42 H new ATOM 0 HE2 LYS A 25 -8.615 16.413 -1.992 1.00 11.42 H new ATOM 0 HE3 LYS A 25 -9.773 17.718 -1.825 1.00 11.42 H new ATOM 0 HZ1 LYS A 25 -7.800 18.122 -0.503 1.00 3.20 H new ATOM 0 HZ2 LYS A 25 -9.149 17.935 0.511 1.00 3.20 H new ATOM 0 HZ3 LYS A 25 -8.027 16.671 0.349 1.00 3.20 H new ATOM 418 N SER A 26 -12.681 17.127 2.141 1.00 13.42 N ATOM 419 CA SER A 26 -12.004 16.939 3.419 1.00 54.11 C ATOM 420 C SER A 26 -12.852 16.093 4.363 1.00 34.44 C ATOM 421 O SER A 26 -12.332 15.255 5.102 1.00 11.52 O ATOM 422 CB SER A 26 -11.700 18.293 4.063 1.00 31.13 C ATOM 423 OG SER A 26 -12.878 18.887 4.581 1.00 4.32 O ATOM 0 H SER A 26 -13.022 18.075 1.980 1.00 13.42 H new ATOM 0 HA SER A 26 -11.067 16.415 3.232 1.00 54.11 H new ATOM 0 HB2 SER A 26 -10.972 18.163 4.864 1.00 31.13 H new ATOM 0 HB3 SER A 26 -11.248 18.957 3.326 1.00 31.13 H new ATOM 0 HG SER A 26 -13.601 18.808 3.924 1.00 4.32 H new ATOM 429 N LEU A 27 -14.161 16.317 4.334 1.00 34.30 N ATOM 430 CA LEU A 27 -15.084 15.575 5.187 1.00 1.30 C ATOM 431 C LEU A 27 -15.157 14.111 4.767 1.00 60.15 C ATOM 432 O LEU A 27 -15.024 13.210 5.595 1.00 34.31 O ATOM 433 CB LEU A 27 -16.477 16.204 5.132 1.00 34.30 C ATOM 434 CG LEU A 27 -16.639 17.543 5.852 1.00 45.23 C ATOM 435 CD1 LEU A 27 -18.070 18.043 5.736 1.00 72.33 C ATOM 436 CD2 LEU A 27 -16.233 17.416 7.313 1.00 61.21 C ATOM 0 H LEU A 27 -14.608 17.006 3.729 1.00 34.30 H new ATOM 0 HA LEU A 27 -14.711 15.621 6.210 1.00 1.30 H new ATOM 0 HB2 LEU A 27 -16.750 16.342 4.086 1.00 34.30 H new ATOM 0 HB3 LEU A 27 -17.190 15.497 5.557 1.00 34.30 H new ATOM 0 HG LEU A 27 -15.983 18.271 5.375 1.00 45.23 H new ATOM 0 HD11 LEU A 27 -18.165 18.997 6.255 1.00 72.33 H new ATOM 0 HD12 LEU A 27 -18.325 18.175 4.685 1.00 72.33 H new ATOM 0 HD13 LEU A 27 -18.747 17.316 6.186 1.00 72.33 H new ATOM 0 HD21 LEU A 27 -16.355 18.379 7.809 1.00 61.21 H new ATOM 0 HD22 LEU A 27 -16.863 16.673 7.802 1.00 61.21 H new ATOM 0 HD23 LEU A 27 -15.190 17.105 7.375 1.00 61.21 H new ATOM 448 N ILE A 28 -15.367 13.882 3.475 1.00 64.54 N ATOM 449 CA ILE A 28 -15.454 12.527 2.944 1.00 23.32 C ATOM 450 C ILE A 28 -14.156 11.761 3.176 1.00 24.14 C ATOM 451 O ILE A 28 -14.174 10.577 3.512 1.00 41.13 O ATOM 452 CB ILE A 28 -15.771 12.531 1.437 1.00 10.51 C ATOM 453 CG1 ILE A 28 -15.783 11.102 0.892 1.00 75.12 C ATOM 454 CG2 ILE A 28 -14.758 13.382 0.685 1.00 13.23 C ATOM 455 CD1 ILE A 28 -17.084 10.723 0.220 1.00 75.14 C ATOM 0 H ILE A 28 -15.480 14.617 2.777 1.00 64.54 H new ATOM 0 HA ILE A 28 -16.266 12.032 3.476 1.00 23.32 H new ATOM 0 HB ILE A 28 -16.761 12.964 1.290 1.00 10.51 H new ATOM 0 HG12 ILE A 28 -14.968 10.987 0.178 1.00 75.12 H new ATOM 0 HG13 ILE A 28 -15.590 10.408 1.710 1.00 75.12 H new ATOM 0 HG21 ILE A 28 -14.995 13.375 -0.379 1.00 13.23 H new ATOM 0 HG22 ILE A 28 -14.794 14.405 1.058 1.00 13.23 H new ATOM 0 HG23 ILE A 28 -13.758 12.976 0.836 1.00 13.23 H new ATOM 0 HD11 ILE A 28 -17.021 9.697 -0.142 1.00 75.14 H new ATOM 0 HD12 ILE A 28 -17.901 10.805 0.937 1.00 75.14 H new ATOM 0 HD13 ILE A 28 -17.269 11.393 -0.619 1.00 75.14 H new ATOM 467 N GLU A 29 -13.030 12.446 2.997 1.00 35.04 N ATOM 468 CA GLU A 29 -11.723 11.830 3.189 1.00 61.43 C ATOM 469 C GLU A 29 -11.544 11.371 4.633 1.00 3.21 C ATOM 470 O GLU A 29 -10.973 10.313 4.893 1.00 31.21 O ATOM 471 CB GLU A 29 -10.611 12.812 2.812 1.00 35.51 C ATOM 472 CG GLU A 29 -10.060 12.599 1.412 1.00 20.23 C ATOM 473 CD GLU A 29 -11.150 12.357 0.386 1.00 11.52 C ATOM 474 OE1 GLU A 29 -11.607 11.201 0.268 1.00 50.21 O ATOM 475 OE2 GLU A 29 -11.546 13.324 -0.298 1.00 61.12 O ATOM 0 H GLU A 29 -12.998 13.427 2.720 1.00 35.04 H new ATOM 0 HA GLU A 29 -11.663 10.957 2.539 1.00 61.43 H new ATOM 0 HB2 GLU A 29 -10.994 13.829 2.892 1.00 35.51 H new ATOM 0 HB3 GLU A 29 -9.797 12.720 3.531 1.00 35.51 H new ATOM 0 HG2 GLU A 29 -9.477 13.472 1.118 1.00 20.23 H new ATOM 0 HG3 GLU A 29 -9.378 11.749 1.420 1.00 20.23 H new ATOM 482 N ASN A 30 -12.035 12.177 5.569 1.00 51.12 N ATOM 483 CA ASN A 30 -11.929 11.856 6.987 1.00 24.54 C ATOM 484 C ASN A 30 -12.872 10.716 7.359 1.00 21.51 C ATOM 485 O ASN A 30 -12.451 9.710 7.932 1.00 31.05 O ATOM 486 CB ASN A 30 -12.242 13.089 7.836 1.00 12.32 C ATOM 487 CG ASN A 30 -11.112 14.101 7.826 1.00 74.25 C ATOM 488 OD1 ASN A 30 -10.353 14.190 6.860 1.00 15.23 O ATOM 489 ND2 ASN A 30 -10.996 14.869 8.903 1.00 61.34 N ATOM 0 H ASN A 30 -12.510 13.057 5.370 1.00 51.12 H new ATOM 0 HA ASN A 30 -10.906 11.537 7.186 1.00 24.54 H new ATOM 0 HB2 ASN A 30 -13.152 13.561 7.465 1.00 12.32 H new ATOM 0 HB3 ASN A 30 -12.440 12.779 8.862 1.00 12.32 H new ATOM 0 HD21 ASN A 30 -10.255 15.568 8.953 1.00 61.34 H new ATOM 0 HD22 ASN A 30 -11.648 14.760 9.680 1.00 61.34 H new ATOM 496 N CYS A 31 -14.148 10.879 7.028 1.00 1.44 N ATOM 497 CA CYS A 31 -15.152 9.864 7.327 1.00 3.14 C ATOM 498 C CYS A 31 -14.801 8.539 6.659 1.00 42.03 C ATOM 499 O CYS A 31 -14.857 7.481 7.285 1.00 33.41 O ATOM 500 CB CYS A 31 -16.533 10.332 6.867 1.00 70.34 C ATOM 501 SG CYS A 31 -17.045 11.919 7.564 1.00 54.53 S ATOM 0 H CYS A 31 -14.512 11.705 6.552 1.00 1.44 H new ATOM 0 HA CYS A 31 -15.169 9.712 8.406 1.00 3.14 H new ATOM 0 HB2 CYS A 31 -16.536 10.407 5.780 1.00 70.34 H new ATOM 0 HB3 CYS A 31 -17.270 9.575 7.136 1.00 70.34 H new ATOM 0 HG CYS A 31 -16.405 12.881 6.969 1.00 54.53 H new ATOM 507 N LYS A 32 -14.440 8.604 5.382 1.00 44.23 N ATOM 508 CA LYS A 32 -14.080 7.410 4.626 1.00 4.30 C ATOM 509 C LYS A 32 -12.785 6.801 5.155 1.00 0.30 C ATOM 510 O LYS A 32 -12.584 5.589 5.087 1.00 22.41 O ATOM 511 CB LYS A 32 -13.927 7.748 3.141 1.00 12.22 C ATOM 512 CG LYS A 32 -13.460 6.576 2.296 1.00 53.15 C ATOM 513 CD LYS A 32 -12.038 6.778 1.799 1.00 33.25 C ATOM 514 CE LYS A 32 -11.942 7.962 0.849 1.00 31.44 C ATOM 515 NZ LYS A 32 -11.344 7.576 -0.459 1.00 31.23 N ATOM 0 H LYS A 32 -14.389 9.472 4.848 1.00 44.23 H new ATOM 0 HA LYS A 32 -14.880 6.680 4.746 1.00 4.30 H new ATOM 0 HB2 LYS A 32 -14.883 8.103 2.757 1.00 12.22 H new ATOM 0 HB3 LYS A 32 -13.216 8.568 3.035 1.00 12.22 H new ATOM 0 HG2 LYS A 32 -13.514 5.659 2.883 1.00 53.15 H new ATOM 0 HG3 LYS A 32 -14.129 6.450 1.445 1.00 53.15 H new ATOM 0 HD2 LYS A 32 -11.374 6.937 2.648 1.00 33.25 H new ATOM 0 HD3 LYS A 32 -11.697 5.875 1.292 1.00 33.25 H new ATOM 0 HE2 LYS A 32 -12.936 8.378 0.685 1.00 31.44 H new ATOM 0 HE3 LYS A 32 -11.340 8.747 1.306 1.00 31.44 H new ATOM 0 HZ1 LYS A 32 -11.509 8.333 -1.153 1.00 31.23 H new ATOM 0 HZ2 LYS A 32 -10.321 7.430 -0.343 1.00 31.23 H new ATOM 0 HZ3 LYS A 32 -11.784 6.696 -0.795 1.00 31.23 H new ATOM 529 N LYS A 33 -11.910 7.650 5.684 1.00 41.15 N ATOM 530 CA LYS A 33 -10.635 7.196 6.227 1.00 15.23 C ATOM 531 C LYS A 33 -10.852 6.194 7.356 1.00 22.43 C ATOM 532 O LYS A 33 -9.956 5.419 7.691 1.00 25.12 O ATOM 533 CB LYS A 33 -9.822 8.388 6.738 1.00 60.31 C ATOM 534 CG LYS A 33 -8.686 8.790 5.813 1.00 73.20 C ATOM 535 CD LYS A 33 -8.270 10.234 6.037 1.00 63.13 C ATOM 536 CE LYS A 33 -6.840 10.329 6.547 1.00 32.14 C ATOM 537 NZ LYS A 33 -6.117 11.489 5.958 1.00 4.31 N ATOM 0 H LYS A 33 -12.061 8.657 5.748 1.00 41.15 H new ATOM 0 HA LYS A 33 -10.082 6.703 5.428 1.00 15.23 H new ATOM 0 HB2 LYS A 33 -10.488 9.240 6.874 1.00 60.31 H new ATOM 0 HB3 LYS A 33 -9.412 8.144 7.718 1.00 60.31 H new ATOM 0 HG2 LYS A 33 -7.831 8.134 5.978 1.00 73.20 H new ATOM 0 HG3 LYS A 33 -8.995 8.656 4.776 1.00 73.20 H new ATOM 0 HD2 LYS A 33 -8.362 10.789 5.104 1.00 63.13 H new ATOM 0 HD3 LYS A 33 -8.945 10.701 6.754 1.00 63.13 H new ATOM 0 HE2 LYS A 33 -6.847 10.419 7.633 1.00 32.14 H new ATOM 0 HE3 LYS A 33 -6.307 9.409 6.307 1.00 32.14 H new ATOM 0 HZ1 LYS A 33 -5.146 11.519 6.331 1.00 4.31 H new ATOM 0 HZ2 LYS A 33 -6.088 11.391 4.923 1.00 4.31 H new ATOM 0 HZ3 LYS A 33 -6.611 12.369 6.208 1.00 4.31 H new ATOM 551 N ARG A 34 -12.046 6.213 7.938 1.00 15.21 N ATOM 552 CA ARG A 34 -12.380 5.305 9.029 1.00 1.41 C ATOM 553 C ARG A 34 -12.921 3.984 8.491 1.00 52.21 C ATOM 554 O ARG A 34 -13.384 3.136 9.252 1.00 24.41 O ATOM 555 CB ARG A 34 -13.409 5.949 9.960 1.00 11.20 C ATOM 556 CG ARG A 34 -12.925 6.098 11.393 1.00 31.12 C ATOM 557 CD ARG A 34 -11.898 7.212 11.521 1.00 24.44 C ATOM 558 NE ARG A 34 -10.710 6.779 12.254 1.00 54.31 N ATOM 559 CZ ARG A 34 -10.704 6.523 13.557 1.00 22.12 C ATOM 560 NH1 ARG A 34 -11.816 6.654 14.268 1.00 45.33 N ATOM 561 NH2 ARG A 34 -9.584 6.134 14.152 1.00 24.34 N ATOM 0 H ARG A 34 -12.799 6.848 7.672 1.00 15.21 H new ATOM 0 HA ARG A 34 -11.468 5.102 9.591 1.00 1.41 H new ATOM 0 HB2 ARG A 34 -13.673 6.932 9.571 1.00 11.20 H new ATOM 0 HB3 ARG A 34 -14.319 5.348 9.953 1.00 11.20 H new ATOM 0 HG2 ARG A 34 -13.773 6.307 12.045 1.00 31.12 H new ATOM 0 HG3 ARG A 34 -12.488 5.158 11.730 1.00 31.12 H new ATOM 0 HD2 ARG A 34 -11.607 7.553 10.527 1.00 24.44 H new ATOM 0 HD3 ARG A 34 -12.348 8.064 12.031 1.00 24.44 H new ATOM 0 HE ARG A 34 -9.838 6.667 11.737 1.00 54.31 H new ATOM 0 HH11 ARG A 34 -12.679 6.952 13.814 1.00 45.33 H new ATOM 0 HH12 ARG A 34 -11.808 6.456 15.269 1.00 45.33 H new ATOM 0 HH21 ARG A 34 -8.727 6.031 13.609 1.00 24.34 H new ATOM 0 HH22 ARG A 34 -9.580 5.938 15.153 1.00 24.34 H new ATOM 575 N ASN A 35 -12.860 3.818 7.174 1.00 53.34 N ATOM 576 CA ASN A 35 -13.345 2.601 6.533 1.00 13.13 C ATOM 577 C ASN A 35 -12.312 2.053 5.554 1.00 70.13 C ATOM 578 O ASN A 35 -11.800 0.948 5.730 1.00 30.21 O ATOM 579 CB ASN A 35 -14.662 2.874 5.803 1.00 30.14 C ATOM 580 CG ASN A 35 -15.513 1.627 5.660 1.00 64.44 C ATOM 581 OD1 ASN A 35 -15.384 0.883 4.687 1.00 55.34 O ATOM 582 ND2 ASN A 35 -16.387 1.392 6.631 1.00 53.02 N ATOM 0 H ASN A 35 -12.479 4.511 6.530 1.00 53.34 H new ATOM 0 HA ASN A 35 -13.515 1.855 7.309 1.00 13.13 H new ATOM 0 HB2 ASN A 35 -15.224 3.634 6.346 1.00 30.14 H new ATOM 0 HB3 ASN A 35 -14.449 3.280 4.814 1.00 30.14 H new ATOM 0 HD21 ASN A 35 -16.986 0.567 6.589 1.00 53.02 H new ATOM 0 HD22 ASN A 35 -16.460 2.036 7.419 1.00 53.02 H new ATOM 589 N MET A 36 -12.010 2.834 4.522 1.00 74.03 N ATOM 590 CA MET A 36 -11.037 2.427 3.515 1.00 3.40 C ATOM 591 C MET A 36 -10.162 3.605 3.098 1.00 52.44 C ATOM 592 O MET A 36 -10.348 4.202 2.037 1.00 40.22 O ATOM 593 CB MET A 36 -11.748 1.847 2.292 1.00 74.25 C ATOM 594 CG MET A 36 -12.443 0.522 2.564 1.00 2.31 C ATOM 595 SD MET A 36 -11.284 -0.802 2.957 1.00 43.24 S ATOM 596 CE MET A 36 -12.361 -2.230 2.876 1.00 34.12 C ATOM 0 H MET A 36 -12.425 3.752 4.361 1.00 74.03 H new ATOM 0 HA MET A 36 -10.399 1.659 3.952 1.00 3.40 H new ATOM 0 HB2 MET A 36 -12.484 2.567 1.934 1.00 74.25 H new ATOM 0 HB3 MET A 36 -11.022 1.709 1.491 1.00 74.25 H new ATOM 0 HG2 MET A 36 -13.142 0.646 3.392 1.00 2.31 H new ATOM 0 HG3 MET A 36 -13.030 0.238 1.691 1.00 2.31 H new ATOM 0 HE1 MET A 36 -11.788 -3.131 3.097 1.00 34.12 H new ATOM 0 HE2 MET A 36 -13.163 -2.122 3.606 1.00 34.12 H new ATOM 0 HE3 MET A 36 -12.788 -2.307 1.876 1.00 34.12 H new ATOM 606 N PRO A 37 -9.186 3.950 3.950 1.00 65.11 N ATOM 607 CA PRO A 37 -8.263 5.059 3.690 1.00 0.23 C ATOM 608 C PRO A 37 -7.296 4.754 2.552 1.00 43.24 C ATOM 609 O PRO A 37 -6.931 3.600 2.326 1.00 63.43 O ATOM 610 CB PRO A 37 -7.504 5.206 5.012 1.00 52.25 C ATOM 611 CG PRO A 37 -7.580 3.859 5.644 1.00 43.34 C ATOM 612 CD PRO A 37 -8.906 3.283 5.233 1.00 72.34 C ATOM 0 HA PRO A 37 -8.789 5.963 3.381 1.00 0.23 H new ATOM 0 HB2 PRO A 37 -6.470 5.506 4.844 1.00 52.25 H new ATOM 0 HB3 PRO A 37 -7.958 5.967 5.647 1.00 52.25 H new ATOM 0 HG2 PRO A 37 -6.759 3.225 5.310 1.00 43.34 H new ATOM 0 HG3 PRO A 37 -7.506 3.932 6.729 1.00 43.34 H new ATOM 0 HD2 PRO A 37 -8.856 2.200 5.120 1.00 72.34 H new ATOM 0 HD3 PRO A 37 -9.680 3.491 5.971 1.00 72.34 H new ATOM 620 N LEU A 38 -6.883 5.795 1.837 1.00 13.42 N ATOM 621 CA LEU A 38 -5.957 5.639 0.721 1.00 21.12 C ATOM 622 C LEU A 38 -4.512 5.775 1.190 1.00 43.42 C ATOM 623 O LEU A 38 -4.236 5.778 2.389 1.00 15.12 O ATOM 624 CB LEU A 38 -6.254 6.676 -0.363 1.00 44.30 C ATOM 625 CG LEU A 38 -6.723 6.125 -1.709 1.00 74.55 C ATOM 626 CD1 LEU A 38 -5.700 5.152 -2.274 1.00 61.40 C ATOM 627 CD2 LEU A 38 -8.080 5.450 -1.565 1.00 51.45 C ATOM 0 H LEU A 38 -7.175 6.757 2.011 1.00 13.42 H new ATOM 0 HA LEU A 38 -6.092 4.640 0.305 1.00 21.12 H new ATOM 0 HB2 LEU A 38 -7.017 7.357 0.014 1.00 44.30 H new ATOM 0 HB3 LEU A 38 -5.353 7.267 -0.529 1.00 44.30 H new ATOM 0 HG LEU A 38 -6.825 6.958 -2.405 1.00 74.55 H new ATOM 0 HD11 LEU A 38 -6.052 4.770 -3.233 1.00 61.40 H new ATOM 0 HD12 LEU A 38 -4.749 5.665 -2.415 1.00 61.40 H new ATOM 0 HD13 LEU A 38 -5.565 4.322 -1.580 1.00 61.40 H new ATOM 0 HD21 LEU A 38 -8.399 5.063 -2.533 1.00 51.45 H new ATOM 0 HD22 LEU A 38 -8.004 4.628 -0.853 1.00 51.45 H new ATOM 0 HD23 LEU A 38 -8.811 6.175 -1.205 1.00 51.45 H new ATOM 639 N GLN A 39 -3.594 5.891 0.235 1.00 21.54 N ATOM 640 CA GLN A 39 -2.177 6.029 0.551 1.00 12.24 C ATOM 641 C GLN A 39 -1.876 7.418 1.105 1.00 54.00 C ATOM 642 O GLN A 39 -0.987 7.585 1.939 1.00 3.21 O ATOM 643 CB GLN A 39 -1.328 5.768 -0.694 1.00 5.35 C ATOM 644 CG GLN A 39 0.144 6.103 -0.507 1.00 55.32 C ATOM 645 CD GLN A 39 0.469 7.534 -0.890 1.00 23.43 C ATOM 646 OE1 GLN A 39 0.114 7.994 -1.975 1.00 2.51 O ATOM 647 NE2 GLN A 39 1.149 8.245 0.002 1.00 13.12 N ATOM 0 H GLN A 39 -3.806 5.892 -0.763 1.00 21.54 H new ATOM 0 HA GLN A 39 -1.927 5.292 1.314 1.00 12.24 H new ATOM 0 HB2 GLN A 39 -1.421 4.719 -0.974 1.00 5.35 H new ATOM 0 HB3 GLN A 39 -1.723 6.355 -1.523 1.00 5.35 H new ATOM 0 HG2 GLN A 39 0.421 5.937 0.534 1.00 55.32 H new ATOM 0 HG3 GLN A 39 0.747 5.424 -1.109 1.00 55.32 H new ATOM 0 HE21 GLN A 39 1.423 7.823 0.889 1.00 13.12 H new ATOM 0 HE22 GLN A 39 1.397 9.213 -0.200 1.00 13.12 H new ATOM 656 N SER A 40 -2.624 8.412 0.635 1.00 64.31 N ATOM 657 CA SER A 40 -2.434 9.787 1.080 1.00 41.41 C ATOM 658 C SER A 40 -3.669 10.631 0.779 1.00 71.11 C ATOM 659 O SER A 40 -4.462 10.931 1.672 1.00 22.22 O ATOM 660 CB SER A 40 -1.207 10.400 0.403 1.00 44.23 C ATOM 661 OG SER A 40 -0.118 10.492 1.306 1.00 74.12 O ATOM 0 H SER A 40 -3.367 8.290 -0.053 1.00 64.31 H new ATOM 0 HA SER A 40 -2.277 9.775 2.159 1.00 41.41 H new ATOM 0 HB2 SER A 40 -0.921 9.793 -0.456 1.00 44.23 H new ATOM 0 HB3 SER A 40 -1.454 11.392 0.024 1.00 44.23 H new ATOM 0 HG SER A 40 -0.015 9.641 1.782 1.00 74.12 H new ATOM 667 N ILE A 41 -3.825 11.010 -0.485 1.00 32.01 N ATOM 668 CA ILE A 41 -4.964 11.818 -0.905 1.00 24.34 C ATOM 669 C ILE A 41 -5.791 11.094 -1.962 1.00 11.34 C ATOM 670 O ILE A 41 -5.462 11.091 -3.148 1.00 31.30 O ATOM 671 CB ILE A 41 -4.512 13.179 -1.466 1.00 3.04 C ATOM 672 CG1 ILE A 41 -3.707 13.946 -0.415 1.00 4.32 C ATOM 673 CG2 ILE A 41 -5.716 13.992 -1.916 1.00 0.40 C ATOM 674 CD1 ILE A 41 -2.345 14.389 -0.902 1.00 42.40 C ATOM 0 H ILE A 41 -3.177 10.771 -1.236 1.00 32.01 H new ATOM 0 HA ILE A 41 -5.577 11.985 -0.019 1.00 24.34 H new ATOM 0 HB ILE A 41 -3.872 13.005 -2.331 1.00 3.04 H new ATOM 0 HG12 ILE A 41 -4.275 14.822 -0.102 1.00 4.32 H new ATOM 0 HG13 ILE A 41 -3.582 13.316 0.466 1.00 4.32 H new ATOM 0 HG21 ILE A 41 -5.381 14.951 -2.310 1.00 0.40 H new ATOM 0 HG22 ILE A 41 -6.252 13.448 -2.693 1.00 0.40 H new ATOM 0 HG23 ILE A 41 -6.379 14.160 -1.067 1.00 0.40 H new ATOM 0 HD11 ILE A 41 -1.831 14.926 -0.105 1.00 42.40 H new ATOM 0 HD12 ILE A 41 -1.759 13.515 -1.188 1.00 42.40 H new ATOM 0 HD13 ILE A 41 -2.463 15.045 -1.765 1.00 42.40 H new ATOM 686 N PRO A 42 -6.893 10.468 -1.524 1.00 31.45 N ATOM 687 CA PRO A 42 -7.793 9.731 -2.416 1.00 64.03 C ATOM 688 C PRO A 42 -8.570 10.655 -3.348 1.00 4.02 C ATOM 689 O PRO A 42 -9.425 11.421 -2.905 1.00 20.42 O ATOM 690 CB PRO A 42 -8.745 9.020 -1.452 1.00 71.41 C ATOM 691 CG PRO A 42 -8.733 9.858 -0.221 1.00 32.34 C ATOM 692 CD PRO A 42 -7.346 10.430 -0.123 1.00 12.41 C ATOM 0 HA PRO A 42 -7.249 9.054 -3.075 1.00 64.03 H new ATOM 0 HB2 PRO A 42 -9.749 8.945 -1.870 1.00 71.41 H new ATOM 0 HB3 PRO A 42 -8.410 8.004 -1.243 1.00 71.41 H new ATOM 0 HG2 PRO A 42 -9.479 10.651 -0.281 1.00 32.34 H new ATOM 0 HG3 PRO A 42 -8.972 9.262 0.659 1.00 32.34 H new ATOM 0 HD2 PRO A 42 -7.352 11.424 0.325 1.00 12.41 H new ATOM 0 HD3 PRO A 42 -6.697 9.807 0.492 1.00 12.41 H new ATOM 700 N GLU A 43 -8.266 10.577 -4.640 1.00 0.23 N ATOM 701 CA GLU A 43 -8.937 11.408 -5.633 1.00 21.13 C ATOM 702 C GLU A 43 -8.955 10.720 -6.995 1.00 11.12 C ATOM 703 O GLU A 43 -7.984 10.073 -7.388 1.00 42.42 O ATOM 704 CB GLU A 43 -8.244 12.768 -5.745 1.00 61.50 C ATOM 705 CG GLU A 43 -9.117 13.846 -6.364 1.00 44.23 C ATOM 706 CD GLU A 43 -10.146 14.392 -5.394 1.00 2.41 C ATOM 707 OE1 GLU A 43 -9.748 15.101 -4.445 1.00 54.13 O ATOM 708 OE2 GLU A 43 -11.348 14.111 -5.582 1.00 43.34 O ATOM 0 H GLU A 43 -7.560 9.948 -5.023 1.00 0.23 H new ATOM 0 HA GLU A 43 -9.966 11.559 -5.308 1.00 21.13 H new ATOM 0 HB2 GLU A 43 -7.932 13.091 -4.752 1.00 61.50 H new ATOM 0 HB3 GLU A 43 -7.339 12.657 -6.343 1.00 61.50 H new ATOM 0 HG2 GLU A 43 -8.486 14.662 -6.715 1.00 44.23 H new ATOM 0 HG3 GLU A 43 -9.627 13.439 -7.237 1.00 44.23 H new ATOM 715 N ILE A 44 -10.066 10.864 -7.709 1.00 13.12 N ATOM 716 CA ILE A 44 -10.211 10.258 -9.026 1.00 71.43 C ATOM 717 C ILE A 44 -11.059 11.132 -9.944 1.00 34.23 C ATOM 718 O ILE A 44 -12.239 11.362 -9.682 1.00 52.43 O ATOM 719 CB ILE A 44 -10.849 8.859 -8.935 1.00 62.31 C ATOM 720 CG1 ILE A 44 -9.959 7.921 -8.116 1.00 13.33 C ATOM 721 CG2 ILE A 44 -11.084 8.292 -10.327 1.00 61.03 C ATOM 722 CD1 ILE A 44 -10.254 7.952 -6.632 1.00 73.14 C ATOM 0 H ILE A 44 -10.879 11.395 -7.397 1.00 13.12 H new ATOM 0 HA ILE A 44 -9.208 10.165 -9.442 1.00 71.43 H new ATOM 0 HB ILE A 44 -11.812 8.947 -8.432 1.00 62.31 H new ATOM 0 HG12 ILE A 44 -10.085 6.902 -8.482 1.00 13.33 H new ATOM 0 HG13 ILE A 44 -8.915 8.191 -8.277 1.00 13.33 H new ATOM 0 HG21 ILE A 44 -11.535 7.303 -10.246 1.00 61.03 H new ATOM 0 HG22 ILE A 44 -11.752 8.952 -10.880 1.00 61.03 H new ATOM 0 HG23 ILE A 44 -10.133 8.215 -10.854 1.00 61.03 H new ATOM 0 HD11 ILE A 44 -9.586 7.264 -6.114 1.00 73.14 H new ATOM 0 HD12 ILE A 44 -10.101 8.962 -6.252 1.00 73.14 H new ATOM 0 HD13 ILE A 44 -11.288 7.653 -6.460 1.00 73.14 H new ATOM 734 N GLY A 45 -10.450 11.615 -11.022 1.00 63.01 N ATOM 735 CA GLY A 45 -11.164 12.457 -11.963 1.00 53.15 C ATOM 736 C GLY A 45 -10.833 13.927 -11.794 1.00 70.42 C ATOM 737 O GLY A 45 -9.976 14.461 -12.497 1.00 12.35 O ATOM 0 H GLY A 45 -9.474 11.438 -11.261 1.00 63.01 H new ATOM 0 HA2 GLY A 45 -10.921 12.148 -12.979 1.00 53.15 H new ATOM 0 HA3 GLY A 45 -12.237 12.312 -11.834 1.00 53.15 H new ATOM 741 N ASN A 46 -11.515 14.582 -10.860 1.00 72.43 N ATOM 742 CA ASN A 46 -11.290 15.999 -10.603 1.00 12.33 C ATOM 743 C ASN A 46 -12.209 16.503 -9.494 1.00 3.14 C ATOM 744 O ASN A 46 -12.759 17.601 -9.580 1.00 41.01 O ATOM 745 CB ASN A 46 -11.518 16.813 -11.878 1.00 50.30 C ATOM 746 CG ASN A 46 -10.460 17.881 -12.080 1.00 23.45 C ATOM 747 OD1 ASN A 46 -9.406 17.623 -12.662 1.00 1.43 O ATOM 748 ND2 ASN A 46 -10.737 19.087 -11.597 1.00 64.53 N ATOM 0 H ASN A 46 -12.228 14.154 -10.269 1.00 72.43 H new ATOM 0 HA ASN A 46 -10.257 16.124 -10.280 1.00 12.33 H new ATOM 0 HB2 ASN A 46 -11.522 16.143 -12.738 1.00 50.30 H new ATOM 0 HB3 ASN A 46 -12.501 17.283 -11.835 1.00 50.30 H new ATOM 0 HD21 ASN A 46 -10.063 19.845 -11.701 1.00 64.53 H new ATOM 0 HD22 ASN A 46 -11.624 19.255 -11.122 1.00 64.53 H new ATOM 755 N ARG A 47 -12.369 15.693 -8.452 1.00 51.31 N ATOM 756 CA ARG A 47 -13.221 16.056 -7.326 1.00 51.31 C ATOM 757 C ARG A 47 -14.676 16.190 -7.766 1.00 40.33 C ATOM 758 O ARG A 47 -15.045 17.149 -8.444 1.00 53.51 O ATOM 759 CB ARG A 47 -12.744 17.368 -6.700 1.00 23.22 C ATOM 760 CG ARG A 47 -11.239 17.433 -6.495 1.00 70.31 C ATOM 761 CD ARG A 47 -10.603 18.497 -7.375 1.00 4.42 C ATOM 762 NE ARG A 47 -11.130 19.829 -7.091 1.00 10.33 N ATOM 763 CZ ARG A 47 -11.060 20.845 -7.944 1.00 30.10 C ATOM 764 NH1 ARG A 47 -10.488 20.681 -9.129 1.00 12.31 N ATOM 765 NH2 ARG A 47 -11.563 22.027 -7.613 1.00 12.22 N ATOM 0 H ARG A 47 -11.920 14.781 -8.364 1.00 51.31 H new ATOM 0 HA ARG A 47 -13.156 15.261 -6.583 1.00 51.31 H new ATOM 0 HB2 ARG A 47 -13.052 18.198 -7.337 1.00 23.22 H new ATOM 0 HB3 ARG A 47 -13.239 17.503 -5.739 1.00 23.22 H new ATOM 0 HG2 ARG A 47 -11.022 17.647 -5.449 1.00 70.31 H new ATOM 0 HG3 ARG A 47 -10.798 16.462 -6.720 1.00 70.31 H new ATOM 0 HD2 ARG A 47 -9.524 18.495 -7.224 1.00 4.42 H new ATOM 0 HD3 ARG A 47 -10.779 18.253 -8.423 1.00 4.42 H new ATOM 0 HE ARG A 47 -11.576 19.988 -6.188 1.00 10.33 H new ATOM 0 HH11 ARG A 47 -10.101 19.773 -9.387 1.00 12.31 H new ATOM 0 HH12 ARG A 47 -10.435 21.462 -9.782 1.00 12.31 H new ATOM 0 HH21 ARG A 47 -12.004 22.157 -6.703 1.00 12.22 H new ATOM 0 HH22 ARG A 47 -11.509 22.806 -8.269 1.00 12.22 H new ATOM 779 N LYS A 48 -15.498 15.222 -7.377 1.00 31.22 N ATOM 780 CA LYS A 48 -16.913 15.231 -7.730 1.00 22.54 C ATOM 781 C LYS A 48 -17.768 14.751 -6.561 1.00 1.21 C ATOM 782 O LYS A 48 -18.958 14.478 -6.722 1.00 22.03 O ATOM 783 CB LYS A 48 -17.160 14.345 -8.953 1.00 41.10 C ATOM 784 CG LYS A 48 -16.253 14.665 -10.129 1.00 10.13 C ATOM 785 CD LYS A 48 -14.975 13.845 -10.086 1.00 62.44 C ATOM 786 CE LYS A 48 -14.730 13.126 -11.404 1.00 72.42 C ATOM 787 NZ LYS A 48 -14.024 13.993 -12.387 1.00 2.52 N ATOM 0 H LYS A 48 -15.209 14.420 -6.817 1.00 31.22 H new ATOM 0 HA LYS A 48 -17.196 16.256 -7.968 1.00 22.54 H new ATOM 0 HB2 LYS A 48 -17.019 13.302 -8.670 1.00 41.10 H new ATOM 0 HB3 LYS A 48 -18.199 14.453 -9.266 1.00 41.10 H new ATOM 0 HG2 LYS A 48 -16.782 14.468 -11.062 1.00 10.13 H new ATOM 0 HG3 LYS A 48 -16.006 15.727 -10.121 1.00 10.13 H new ATOM 0 HD2 LYS A 48 -14.130 14.497 -9.863 1.00 62.44 H new ATOM 0 HD3 LYS A 48 -15.036 13.116 -9.278 1.00 62.44 H new ATOM 0 HE2 LYS A 48 -14.140 12.228 -11.223 1.00 72.42 H new ATOM 0 HE3 LYS A 48 -15.683 12.803 -11.824 1.00 72.42 H new ATOM 0 HZ1 LYS A 48 -13.261 13.452 -12.842 1.00 2.52 H new ATOM 0 HZ2 LYS A 48 -14.697 14.317 -13.110 1.00 2.52 H new ATOM 0 HZ3 LYS A 48 -13.620 14.816 -11.896 1.00 2.52 H new ATOM 801 N ILE A 49 -17.155 14.653 -5.386 1.00 62.13 N ATOM 802 CA ILE A 49 -17.861 14.209 -4.191 1.00 53.21 C ATOM 803 C ILE A 49 -18.563 15.375 -3.503 1.00 11.12 C ATOM 804 O ILE A 49 -19.254 15.193 -2.501 1.00 61.13 O ATOM 805 CB ILE A 49 -16.905 13.536 -3.189 1.00 2.52 C ATOM 806 CG1 ILE A 49 -15.963 12.574 -3.916 1.00 54.31 C ATOM 807 CG2 ILE A 49 -17.694 12.803 -2.114 1.00 43.33 C ATOM 808 CD1 ILE A 49 -14.591 13.154 -4.177 1.00 24.43 C ATOM 0 H ILE A 49 -16.171 14.875 -5.236 1.00 62.13 H new ATOM 0 HA ILE A 49 -18.604 13.481 -4.516 1.00 53.21 H new ATOM 0 HB ILE A 49 -16.304 14.308 -2.708 1.00 2.52 H new ATOM 0 HG12 ILE A 49 -15.858 11.665 -3.324 1.00 54.31 H new ATOM 0 HG13 ILE A 49 -16.413 12.286 -4.866 1.00 54.31 H new ATOM 0 HG21 ILE A 49 -17.004 12.333 -1.413 1.00 43.33 H new ATOM 0 HG22 ILE A 49 -18.326 13.512 -1.580 1.00 43.33 H new ATOM 0 HG23 ILE A 49 -18.317 12.039 -2.578 1.00 43.33 H new ATOM 0 HD11 ILE A 49 -13.977 12.417 -4.695 1.00 24.43 H new ATOM 0 HD12 ILE A 49 -14.685 14.047 -4.795 1.00 24.43 H new ATOM 0 HD13 ILE A 49 -14.121 13.416 -3.229 1.00 24.43 H new ATOM 820 N ASN A 50 -18.382 16.573 -4.049 1.00 0.33 N ATOM 821 CA ASN A 50 -18.999 17.770 -3.488 1.00 31.20 C ATOM 822 C ASN A 50 -20.490 17.813 -3.807 1.00 54.30 C ATOM 823 O ASN A 50 -20.938 17.256 -4.810 1.00 15.00 O ATOM 824 CB ASN A 50 -18.313 19.025 -4.031 1.00 71.01 C ATOM 825 CG ASN A 50 -18.882 20.298 -3.435 1.00 42.33 C ATOM 826 OD1 ASN A 50 -19.118 20.381 -2.230 1.00 1.31 O ATOM 827 ND2 ASN A 50 -19.105 21.298 -4.280 1.00 3.40 N ATOM 0 H ASN A 50 -17.813 16.741 -4.879 1.00 0.33 H new ATOM 0 HA ASN A 50 -18.878 17.738 -2.405 1.00 31.20 H new ATOM 0 HB2 ASN A 50 -17.245 18.973 -3.818 1.00 71.01 H new ATOM 0 HB3 ASN A 50 -18.421 19.055 -5.115 1.00 71.01 H new ATOM 0 HD21 ASN A 50 -19.487 22.180 -3.937 1.00 3.40 H new ATOM 0 HD22 ASN A 50 -18.894 21.184 -5.272 1.00 3.40 H new ATOM 834 N LEU A 51 -21.254 18.479 -2.948 1.00 52.10 N ATOM 835 CA LEU A 51 -22.696 18.597 -3.138 1.00 21.41 C ATOM 836 C LEU A 51 -23.018 19.528 -4.302 1.00 64.35 C ATOM 837 O LEU A 51 -24.100 19.459 -4.885 1.00 51.20 O ATOM 838 CB LEU A 51 -23.358 19.113 -1.859 1.00 71.03 C ATOM 839 CG LEU A 51 -24.335 18.156 -1.176 1.00 75.10 C ATOM 840 CD1 LEU A 51 -23.589 16.987 -0.552 1.00 75.43 C ATOM 841 CD2 LEU A 51 -25.154 18.891 -0.125 1.00 32.45 C ATOM 0 H LEU A 51 -20.899 18.946 -2.113 1.00 52.10 H new ATOM 0 HA LEU A 51 -23.089 17.607 -3.370 1.00 21.41 H new ATOM 0 HB2 LEU A 51 -22.574 19.370 -1.146 1.00 71.03 H new ATOM 0 HB3 LEU A 51 -23.889 20.035 -2.095 1.00 71.03 H new ATOM 0 HG LEU A 51 -25.017 17.764 -1.930 1.00 75.10 H new ATOM 0 HD11 LEU A 51 -24.301 16.316 -0.070 1.00 75.43 H new ATOM 0 HD12 LEU A 51 -23.048 16.445 -1.328 1.00 75.43 H new ATOM 0 HD13 LEU A 51 -22.883 17.360 0.190 1.00 75.43 H new ATOM 0 HD21 LEU A 51 -25.844 18.194 0.351 1.00 32.45 H new ATOM 0 HD22 LEU A 51 -24.487 19.312 0.627 1.00 32.45 H new ATOM 0 HD23 LEU A 51 -25.718 19.694 -0.599 1.00 32.45 H new ATOM 853 N PHE A 52 -22.069 20.396 -4.638 1.00 55.32 N ATOM 854 CA PHE A 52 -22.251 21.341 -5.734 1.00 72.44 C ATOM 855 C PHE A 52 -21.664 20.789 -7.030 1.00 43.23 C ATOM 856 O PHE A 52 -22.190 21.032 -8.116 1.00 55.23 O ATOM 857 CB PHE A 52 -21.597 22.681 -5.395 1.00 0.35 C ATOM 858 CG PHE A 52 -22.265 23.857 -6.048 1.00 42.14 C ATOM 859 CD1 PHE A 52 -23.534 24.254 -5.660 1.00 31.00 C ATOM 860 CD2 PHE A 52 -21.623 24.565 -7.052 1.00 12.11 C ATOM 861 CE1 PHE A 52 -24.151 25.336 -6.259 1.00 74.24 C ATOM 862 CE2 PHE A 52 -22.235 25.648 -7.655 1.00 33.15 C ATOM 863 CZ PHE A 52 -23.501 26.033 -7.259 1.00 33.13 C ATOM 0 H PHE A 52 -21.167 20.465 -4.167 1.00 55.32 H new ATOM 0 HA PHE A 52 -23.321 21.493 -5.875 1.00 72.44 H new ATOM 0 HB2 PHE A 52 -21.611 22.820 -4.314 1.00 0.35 H new ATOM 0 HB3 PHE A 52 -20.551 22.653 -5.699 1.00 0.35 H new ATOM 0 HD1 PHE A 52 -24.048 23.712 -4.880 1.00 31.00 H new ATOM 0 HD2 PHE A 52 -20.634 24.267 -7.367 1.00 12.11 H new ATOM 0 HE1 PHE A 52 -25.140 25.636 -5.946 1.00 74.24 H new ATOM 0 HE2 PHE A 52 -21.724 26.193 -8.435 1.00 33.15 H new ATOM 0 HZ PHE A 52 -23.982 26.877 -7.730 1.00 33.13 H new ATOM 873 N TYR A 53 -20.569 20.047 -6.907 1.00 73.54 N ATOM 874 CA TYR A 53 -19.908 19.463 -8.068 1.00 64.31 C ATOM 875 C TYR A 53 -20.723 18.305 -8.635 1.00 71.31 C ATOM 876 O TYR A 53 -21.010 18.259 -9.832 1.00 41.01 O ATOM 877 CB TYR A 53 -18.506 18.978 -7.692 1.00 52.34 C ATOM 878 CG TYR A 53 -17.560 18.891 -8.869 1.00 1.55 C ATOM 879 CD1 TYR A 53 -17.819 18.035 -9.932 1.00 0.13 C ATOM 880 CD2 TYR A 53 -16.407 19.665 -8.916 1.00 63.34 C ATOM 881 CE1 TYR A 53 -16.957 17.952 -11.008 1.00 70.21 C ATOM 882 CE2 TYR A 53 -15.540 19.589 -9.989 1.00 41.13 C ATOM 883 CZ TYR A 53 -15.819 18.731 -11.033 1.00 13.05 C ATOM 884 OH TYR A 53 -14.958 18.652 -12.103 1.00 24.35 O ATOM 0 H TYR A 53 -20.121 19.836 -6.016 1.00 73.54 H new ATOM 0 HA TYR A 53 -19.826 20.235 -8.834 1.00 64.31 H new ATOM 0 HB2 TYR A 53 -18.085 19.653 -6.947 1.00 52.34 H new ATOM 0 HB3 TYR A 53 -18.583 17.996 -7.225 1.00 52.34 H new ATOM 0 HD1 TYR A 53 -18.709 17.424 -9.917 1.00 0.13 H new ATOM 0 HD2 TYR A 53 -16.185 20.337 -8.100 1.00 63.34 H new ATOM 0 HE1 TYR A 53 -17.173 17.280 -11.826 1.00 70.21 H new ATOM 0 HE2 TYR A 53 -14.648 20.198 -10.011 1.00 41.13 H new ATOM 0 HH TYR A 53 -14.207 19.266 -11.965 1.00 24.35 H new ATOM 894 N LEU A 54 -21.094 17.371 -7.767 1.00 34.43 N ATOM 895 CA LEU A 54 -21.878 16.211 -8.179 1.00 13.24 C ATOM 896 C LEU A 54 -23.201 16.642 -8.804 1.00 10.52 C ATOM 897 O LEU A 54 -23.725 15.974 -9.695 1.00 35.22 O ATOM 898 CB LEU A 54 -22.141 15.297 -6.981 1.00 13.03 C ATOM 899 CG LEU A 54 -22.577 13.869 -7.309 1.00 72.34 C ATOM 900 CD1 LEU A 54 -21.402 13.060 -7.836 1.00 71.14 C ATOM 901 CD2 LEU A 54 -23.180 13.200 -6.083 1.00 33.41 C ATOM 0 H LEU A 54 -20.865 17.394 -6.773 1.00 34.43 H new ATOM 0 HA LEU A 54 -21.305 15.663 -8.927 1.00 13.24 H new ATOM 0 HB2 LEU A 54 -21.233 15.249 -6.380 1.00 13.03 H new ATOM 0 HB3 LEU A 54 -22.910 15.757 -6.361 1.00 13.03 H new ATOM 0 HG LEU A 54 -23.340 13.912 -8.086 1.00 72.34 H new ATOM 0 HD11 LEU A 54 -21.731 12.046 -8.064 1.00 71.14 H new ATOM 0 HD12 LEU A 54 -21.015 13.528 -8.741 1.00 71.14 H new ATOM 0 HD13 LEU A 54 -20.617 13.025 -7.081 1.00 71.14 H new ATOM 0 HD21 LEU A 54 -23.485 12.184 -6.336 1.00 33.41 H new ATOM 0 HD22 LEU A 54 -22.439 13.169 -5.284 1.00 33.41 H new ATOM 0 HD23 LEU A 54 -24.049 13.767 -5.750 1.00 33.41 H new ATOM 913 N TYR A 55 -23.734 17.764 -8.333 1.00 0.32 N ATOM 914 CA TYR A 55 -24.996 18.285 -8.845 1.00 43.14 C ATOM 915 C TYR A 55 -24.798 18.954 -10.202 1.00 61.13 C ATOM 916 O TYR A 55 -25.563 18.722 -11.138 1.00 42.31 O ATOM 917 CB TYR A 55 -25.599 19.283 -7.856 1.00 34.13 C ATOM 918 CG TYR A 55 -27.032 19.654 -8.168 1.00 5.22 C ATOM 919 CD1 TYR A 55 -28.058 18.731 -8.014 1.00 74.44 C ATOM 920 CD2 TYR A 55 -27.358 20.928 -8.617 1.00 21.21 C ATOM 921 CE1 TYR A 55 -29.368 19.065 -8.299 1.00 32.01 C ATOM 922 CE2 TYR A 55 -28.665 21.271 -8.902 1.00 50.44 C ATOM 923 CZ TYR A 55 -29.667 20.337 -8.742 1.00 65.41 C ATOM 924 OH TYR A 55 -30.970 20.675 -9.027 1.00 23.42 O ATOM 0 H TYR A 55 -23.312 18.330 -7.597 1.00 0.32 H new ATOM 0 HA TYR A 55 -25.682 17.447 -8.969 1.00 43.14 H new ATOM 0 HB2 TYR A 55 -25.552 18.861 -6.852 1.00 34.13 H new ATOM 0 HB3 TYR A 55 -24.991 20.188 -7.850 1.00 34.13 H new ATOM 0 HD1 TYR A 55 -27.828 17.735 -7.665 1.00 74.44 H new ATOM 0 HD2 TYR A 55 -26.576 21.662 -8.745 1.00 21.21 H new ATOM 0 HE1 TYR A 55 -30.154 18.334 -8.176 1.00 32.01 H new ATOM 0 HE2 TYR A 55 -28.901 22.266 -9.249 1.00 50.44 H new ATOM 0 HH TYR A 55 -31.008 21.608 -9.326 1.00 23.42 H new ATOM 934 N MET A 56 -23.765 19.784 -10.300 1.00 51.52 N ATOM 935 CA MET A 56 -23.464 20.486 -11.543 1.00 14.23 C ATOM 936 C MET A 56 -23.214 19.499 -12.678 1.00 73.40 C ATOM 937 O MET A 56 -23.618 19.732 -13.818 1.00 15.10 O ATOM 938 CB MET A 56 -22.244 21.391 -11.360 1.00 73.11 C ATOM 939 CG MET A 56 -22.121 22.467 -12.426 1.00 43.24 C ATOM 940 SD MET A 56 -20.406 22.846 -12.836 1.00 30.22 S ATOM 941 CE MET A 56 -19.913 21.334 -13.661 1.00 12.23 C ATOM 0 H MET A 56 -23.122 19.987 -9.534 1.00 51.52 H new ATOM 0 HA MET A 56 -24.327 21.100 -11.803 1.00 14.23 H new ATOM 0 HB2 MET A 56 -22.298 21.866 -10.380 1.00 73.11 H new ATOM 0 HB3 MET A 56 -21.343 20.778 -11.368 1.00 73.11 H new ATOM 0 HG2 MET A 56 -22.642 22.142 -13.326 1.00 43.24 H new ATOM 0 HG3 MET A 56 -22.617 23.374 -12.080 1.00 43.24 H new ATOM 0 HE1 MET A 56 -19.065 21.536 -14.315 1.00 12.23 H new ATOM 0 HE2 MET A 56 -19.628 20.590 -12.917 1.00 12.23 H new ATOM 0 HE3 MET A 56 -20.746 20.954 -14.253 1.00 12.23 H new ATOM 951 N LEU A 57 -22.546 18.395 -12.360 1.00 40.50 N ATOM 952 CA LEU A 57 -22.242 17.372 -13.354 1.00 23.11 C ATOM 953 C LEU A 57 -23.522 16.772 -13.927 1.00 64.01 C ATOM 954 O LEU A 57 -23.674 16.653 -15.143 1.00 2.10 O ATOM 955 CB LEU A 57 -21.382 16.270 -12.733 1.00 22.31 C ATOM 956 CG LEU A 57 -20.411 15.563 -13.679 1.00 61.52 C ATOM 957 CD1 LEU A 57 -18.976 15.753 -13.212 1.00 52.11 C ATOM 958 CD2 LEU A 57 -20.748 14.082 -13.781 1.00 14.20 C ATOM 0 H LEU A 57 -22.205 18.186 -11.422 1.00 40.50 H new ATOM 0 HA LEU A 57 -21.688 17.843 -14.166 1.00 23.11 H new ATOM 0 HB2 LEU A 57 -20.809 16.703 -11.913 1.00 22.31 H new ATOM 0 HB3 LEU A 57 -22.044 15.521 -12.298 1.00 22.31 H new ATOM 0 HG LEU A 57 -20.511 16.008 -14.669 1.00 61.52 H new ATOM 0 HD11 LEU A 57 -18.300 15.243 -13.898 1.00 52.11 H new ATOM 0 HD12 LEU A 57 -18.738 16.816 -13.192 1.00 52.11 H new ATOM 0 HD13 LEU A 57 -18.861 15.336 -12.211 1.00 52.11 H new ATOM 0 HD21 LEU A 57 -20.047 13.595 -14.458 1.00 14.20 H new ATOM 0 HD22 LEU A 57 -20.677 13.624 -12.794 1.00 14.20 H new ATOM 0 HD23 LEU A 57 -21.762 13.965 -14.163 1.00 14.20 H new ATOM 970 N VAL A 58 -24.441 16.397 -13.043 1.00 61.02 N ATOM 971 CA VAL A 58 -25.710 15.813 -13.461 1.00 24.51 C ATOM 972 C VAL A 58 -26.505 16.785 -14.325 1.00 23.02 C ATOM 973 O VAL A 58 -26.985 16.425 -15.399 1.00 43.34 O ATOM 974 CB VAL A 58 -26.565 15.403 -12.248 1.00 35.04 C ATOM 975 CG1 VAL A 58 -27.836 14.701 -12.703 1.00 10.34 C ATOM 976 CG2 VAL A 58 -25.765 14.516 -11.306 1.00 44.13 C ATOM 0 H VAL A 58 -24.331 16.487 -12.033 1.00 61.02 H new ATOM 0 HA VAL A 58 -25.472 14.924 -14.046 1.00 24.51 H new ATOM 0 HB VAL A 58 -26.850 16.305 -11.706 1.00 35.04 H new ATOM 0 HG11 VAL A 58 -28.427 14.419 -11.832 1.00 10.34 H new ATOM 0 HG12 VAL A 58 -28.417 15.374 -13.334 1.00 10.34 H new ATOM 0 HG13 VAL A 58 -27.575 13.807 -13.270 1.00 10.34 H new ATOM 0 HG21 VAL A 58 -26.386 14.236 -10.455 1.00 44.13 H new ATOM 0 HG22 VAL A 58 -25.447 13.617 -11.834 1.00 44.13 H new ATOM 0 HG23 VAL A 58 -24.888 15.058 -10.953 1.00 44.13 H new ATOM 986 N GLN A 59 -26.639 18.018 -13.848 1.00 11.14 N ATOM 987 CA GLN A 59 -27.377 19.043 -14.577 1.00 64.11 C ATOM 988 C GLN A 59 -26.717 19.336 -15.921 1.00 21.15 C ATOM 989 O GLN A 59 -27.395 19.616 -16.909 1.00 42.34 O ATOM 990 CB GLN A 59 -27.464 20.325 -13.748 1.00 54.41 C ATOM 991 CG GLN A 59 -28.419 21.359 -14.325 1.00 65.31 C ATOM 992 CD GLN A 59 -28.040 22.777 -13.948 1.00 13.33 C ATOM 993 OE1 GLN A 59 -27.172 23.388 -14.572 1.00 21.40 O ATOM 994 NE2 GLN A 59 -28.692 23.311 -12.921 1.00 21.20 N ATOM 0 H GLN A 59 -26.246 18.332 -12.960 1.00 11.14 H new ATOM 0 HA GLN A 59 -28.384 18.669 -14.761 1.00 64.11 H new ATOM 0 HB2 GLN A 59 -27.782 20.073 -12.737 1.00 54.41 H new ATOM 0 HB3 GLN A 59 -26.470 20.765 -13.669 1.00 54.41 H new ATOM 0 HG2 GLN A 59 -28.435 21.268 -15.411 1.00 65.31 H new ATOM 0 HG3 GLN A 59 -29.429 21.151 -13.973 1.00 65.31 H new ATOM 0 HE21 GLN A 59 -29.404 22.769 -12.432 1.00 21.20 H new ATOM 0 HE22 GLN A 59 -28.480 24.263 -12.622 1.00 21.20 H new ATOM 1003 N LYS A 60 -25.390 19.270 -15.949 1.00 72.35 N ATOM 1004 CA LYS A 60 -24.637 19.527 -17.171 1.00 73.24 C ATOM 1005 C LYS A 60 -24.868 18.420 -18.195 1.00 44.15 C ATOM 1006 O LYS A 60 -24.935 18.677 -19.398 1.00 4.23 O ATOM 1007 CB LYS A 60 -23.144 19.645 -16.859 1.00 63.43 C ATOM 1008 CG LYS A 60 -22.309 20.101 -18.043 1.00 71.14 C ATOM 1009 CD LYS A 60 -21.690 18.923 -18.777 1.00 35.53 C ATOM 1010 CE LYS A 60 -20.255 19.213 -19.187 1.00 61.31 C ATOM 1011 NZ LYS A 60 -19.283 18.365 -18.443 1.00 30.14 N ATOM 0 H LYS A 60 -24.814 19.041 -15.139 1.00 72.35 H new ATOM 0 HA LYS A 60 -24.989 20.468 -17.594 1.00 73.24 H new ATOM 0 HB2 LYS A 60 -23.008 20.348 -16.037 1.00 63.43 H new ATOM 0 HB3 LYS A 60 -22.776 18.678 -16.516 1.00 63.43 H new ATOM 0 HG2 LYS A 60 -22.933 20.672 -18.731 1.00 71.14 H new ATOM 0 HG3 LYS A 60 -21.521 20.770 -17.697 1.00 71.14 H new ATOM 0 HD2 LYS A 60 -21.715 18.041 -18.138 1.00 35.53 H new ATOM 0 HD3 LYS A 60 -22.283 18.692 -19.662 1.00 35.53 H new ATOM 0 HE2 LYS A 60 -20.142 19.041 -20.257 1.00 61.31 H new ATOM 0 HE3 LYS A 60 -20.031 20.265 -19.007 1.00 61.31 H new ATOM 0 HZ1 LYS A 60 -18.316 18.593 -18.751 1.00 30.14 H new ATOM 0 HZ2 LYS A 60 -19.373 18.547 -17.423 1.00 30.14 H new ATOM 0 HZ3 LYS A 60 -19.480 17.362 -18.634 1.00 30.14 H new ATOM 1025 N PHE A 61 -24.990 17.188 -17.712 1.00 4.54 N ATOM 1026 CA PHE A 61 -25.213 16.043 -18.585 1.00 73.53 C ATOM 1027 C PHE A 61 -26.659 16.004 -19.072 1.00 62.14 C ATOM 1028 O PHE A 61 -27.011 15.210 -19.943 1.00 61.44 O ATOM 1029 CB PHE A 61 -24.875 14.742 -17.853 1.00 12.31 C ATOM 1030 CG PHE A 61 -23.968 13.834 -18.632 1.00 61.24 C ATOM 1031 CD1 PHE A 61 -24.487 12.937 -19.552 1.00 35.33 C ATOM 1032 CD2 PHE A 61 -22.596 13.877 -18.446 1.00 43.22 C ATOM 1033 CE1 PHE A 61 -23.655 12.099 -20.270 1.00 1.14 C ATOM 1034 CE2 PHE A 61 -21.758 13.042 -19.162 1.00 0.25 C ATOM 1035 CZ PHE A 61 -22.288 12.153 -20.075 1.00 74.22 C ATOM 0 H PHE A 61 -24.938 16.958 -16.720 1.00 4.54 H new ATOM 0 HA PHE A 61 -24.558 16.145 -19.451 1.00 73.53 H new ATOM 0 HB2 PHE A 61 -24.404 14.983 -16.900 1.00 12.31 H new ATOM 0 HB3 PHE A 61 -25.800 14.211 -17.626 1.00 12.31 H new ATOM 0 HD1 PHE A 61 -25.554 12.892 -19.710 1.00 35.33 H new ATOM 0 HD2 PHE A 61 -22.176 14.571 -17.733 1.00 43.22 H new ATOM 0 HE1 PHE A 61 -24.073 11.403 -20.982 1.00 1.14 H new ATOM 0 HE2 PHE A 61 -20.690 13.085 -19.007 1.00 0.25 H new ATOM 0 HZ PHE A 61 -21.635 11.501 -20.636 1.00 74.22 H new ATOM 1045 N GLY A 62 -27.493 16.869 -18.502 1.00 64.33 N ATOM 1046 CA GLY A 62 -28.890 16.917 -18.890 1.00 13.21 C ATOM 1047 C GLY A 62 -29.777 16.108 -17.964 1.00 50.32 C ATOM 1048 O GLY A 62 -30.832 15.624 -18.371 1.00 33.35 O ATOM 0 H GLY A 62 -27.226 17.537 -17.779 1.00 64.33 H new ATOM 0 HA2 GLY A 62 -29.227 17.954 -18.897 1.00 13.21 H new ATOM 0 HA3 GLY A 62 -28.994 16.541 -19.908 1.00 13.21 H new ATOM 1052 N GLY A 63 -29.347 15.960 -16.715 1.00 1.23 N ATOM 1053 CA GLY A 63 -30.120 15.202 -15.749 1.00 34.01 C ATOM 1054 C GLY A 63 -29.696 13.748 -15.679 1.00 52.41 C ATOM 1055 O GLY A 63 -29.181 13.198 -16.652 1.00 3.05 O ATOM 0 H GLY A 63 -28.477 16.352 -16.355 1.00 1.23 H new ATOM 0 HA2 GLY A 63 -30.011 15.657 -14.764 1.00 34.01 H new ATOM 0 HA3 GLY A 63 -31.177 15.257 -16.011 1.00 34.01 H new ATOM 1059 N ALA A 64 -29.912 13.125 -14.525 1.00 42.51 N ATOM 1060 CA ALA A 64 -29.548 11.727 -14.332 1.00 54.13 C ATOM 1061 C ALA A 64 -30.174 10.844 -15.406 1.00 54.15 C ATOM 1062 O ALA A 64 -29.593 9.837 -15.812 1.00 55.31 O ATOM 1063 CB ALA A 64 -29.971 11.258 -12.948 1.00 72.11 C ATOM 0 H ALA A 64 -30.337 13.567 -13.710 1.00 42.51 H new ATOM 0 HA ALA A 64 -28.464 11.644 -14.416 1.00 54.13 H new ATOM 0 HB1 ALA A 64 -29.693 10.212 -12.817 1.00 72.11 H new ATOM 0 HB2 ALA A 64 -29.473 11.863 -12.191 1.00 72.11 H new ATOM 0 HB3 ALA A 64 -31.051 11.362 -12.843 1.00 72.11 H new ATOM 1069 N ASP A 65 -31.362 11.227 -15.862 1.00 41.24 N ATOM 1070 CA ASP A 65 -32.067 10.470 -16.890 1.00 41.12 C ATOM 1071 C ASP A 65 -31.240 10.390 -18.170 1.00 10.53 C ATOM 1072 O ASP A 65 -31.231 9.366 -18.851 1.00 34.52 O ATOM 1073 CB ASP A 65 -33.424 11.110 -17.184 1.00 54.35 C ATOM 1074 CG ASP A 65 -34.407 10.934 -16.044 1.00 33.52 C ATOM 1075 OD1 ASP A 65 -33.989 11.065 -14.874 1.00 72.12 O ATOM 1076 OD2 ASP A 65 -35.595 10.665 -16.321 1.00 23.22 O ATOM 0 H ASP A 65 -31.857 12.057 -15.536 1.00 41.24 H new ATOM 0 HA ASP A 65 -32.225 9.458 -16.517 1.00 41.12 H new ATOM 0 HB2 ASP A 65 -33.286 12.173 -17.380 1.00 54.35 H new ATOM 0 HB3 ASP A 65 -33.841 10.671 -18.090 1.00 54.35 H new ATOM 1081 N GLN A 66 -30.548 11.479 -18.490 1.00 2.13 N ATOM 1082 CA GLN A 66 -29.720 11.532 -19.689 1.00 4.25 C ATOM 1083 C GLN A 66 -28.517 10.603 -19.561 1.00 1.11 C ATOM 1084 O GLN A 66 -28.162 9.897 -20.505 1.00 32.54 O ATOM 1085 CB GLN A 66 -29.248 12.964 -19.945 1.00 4.41 C ATOM 1086 CG GLN A 66 -28.991 13.267 -21.412 1.00 54.14 C ATOM 1087 CD GLN A 66 -28.677 12.022 -22.219 1.00 3.43 C ATOM 1088 OE1 GLN A 66 -29.579 11.324 -22.682 1.00 41.31 O ATOM 1089 NE2 GLN A 66 -27.391 11.738 -22.391 1.00 31.32 N ATOM 0 H GLN A 66 -30.544 12.336 -17.936 1.00 2.13 H new ATOM 0 HA GLN A 66 -30.325 11.200 -20.533 1.00 4.25 H new ATOM 0 HB2 GLN A 66 -29.998 13.658 -19.565 1.00 4.41 H new ATOM 0 HB3 GLN A 66 -28.333 13.143 -19.380 1.00 4.41 H new ATOM 0 HG2 GLN A 66 -29.866 13.759 -21.836 1.00 54.14 H new ATOM 0 HG3 GLN A 66 -28.160 13.968 -21.494 1.00 54.14 H new ATOM 0 HE21 GLN A 66 -26.676 12.345 -21.989 1.00 31.32 H new ATOM 0 HE22 GLN A 66 -27.118 10.913 -22.925 1.00 31.32 H new ATOM 1098 N VAL A 67 -27.892 10.609 -18.387 1.00 55.24 N ATOM 1099 CA VAL A 67 -26.730 9.766 -18.136 1.00 4.43 C ATOM 1100 C VAL A 67 -27.070 8.292 -18.319 1.00 21.44 C ATOM 1101 O VAL A 67 -26.230 7.497 -18.743 1.00 75.32 O ATOM 1102 CB VAL A 67 -26.177 9.982 -16.714 1.00 52.13 C ATOM 1103 CG1 VAL A 67 -24.852 9.256 -16.540 1.00 60.13 C ATOM 1104 CG2 VAL A 67 -26.023 11.467 -16.423 1.00 0.23 C ATOM 0 H VAL A 67 -28.172 11.188 -17.596 1.00 55.24 H new ATOM 0 HA VAL A 67 -25.969 10.052 -18.862 1.00 4.43 H new ATOM 0 HB VAL A 67 -26.888 9.567 -15.999 1.00 52.13 H new ATOM 0 HG11 VAL A 67 -24.477 9.420 -15.530 1.00 60.13 H new ATOM 0 HG12 VAL A 67 -24.998 8.188 -16.704 1.00 60.13 H new ATOM 0 HG13 VAL A 67 -24.130 9.638 -17.262 1.00 60.13 H new ATOM 0 HG21 VAL A 67 -25.631 11.601 -15.415 1.00 0.23 H new ATOM 0 HG22 VAL A 67 -25.333 11.909 -17.142 1.00 0.23 H new ATOM 0 HG23 VAL A 67 -26.994 11.956 -16.503 1.00 0.23 H new ATOM 1114 N THR A 68 -28.308 7.931 -17.996 1.00 11.04 N ATOM 1115 CA THR A 68 -28.760 6.551 -18.123 1.00 53.53 C ATOM 1116 C THR A 68 -29.405 6.308 -19.483 1.00 31.21 C ATOM 1117 O THR A 68 -29.464 5.174 -19.958 1.00 70.31 O ATOM 1118 CB THR A 68 -29.768 6.186 -17.017 1.00 61.10 C ATOM 1119 OG1 THR A 68 -30.072 4.788 -17.074 1.00 24.44 O ATOM 1120 CG2 THR A 68 -31.048 6.994 -17.163 1.00 12.45 C ATOM 0 H THR A 68 -29.016 8.576 -17.644 1.00 11.04 H new ATOM 0 HA THR A 68 -27.878 5.918 -18.023 1.00 53.53 H new ATOM 0 HB THR A 68 -29.317 6.421 -16.053 1.00 61.10 H new ATOM 0 HG1 THR A 68 -30.712 4.563 -16.367 1.00 24.44 H new ATOM 0 HG21 THR A 68 -31.744 6.719 -16.371 1.00 12.45 H new ATOM 0 HG22 THR A 68 -30.818 8.057 -17.090 1.00 12.45 H new ATOM 0 HG23 THR A 68 -31.501 6.786 -18.132 1.00 12.45 H new ATOM 1128 N ARG A 69 -29.887 7.379 -20.105 1.00 2.13 N ATOM 1129 CA ARG A 69 -30.528 7.281 -21.410 1.00 61.23 C ATOM 1130 C ARG A 69 -29.545 6.773 -22.462 1.00 14.23 C ATOM 1131 O ARG A 69 -29.889 5.933 -23.294 1.00 44.35 O ATOM 1132 CB ARG A 69 -31.085 8.642 -21.832 1.00 70.44 C ATOM 1133 CG ARG A 69 -31.385 8.742 -23.319 1.00 12.30 C ATOM 1134 CD ARG A 69 -32.253 7.586 -23.792 1.00 1.44 C ATOM 1135 NE ARG A 69 -33.387 8.044 -24.590 1.00 13.15 N ATOM 1136 CZ ARG A 69 -34.238 7.224 -25.196 1.00 21.40 C ATOM 1137 NH1 ARG A 69 -34.083 5.911 -25.096 1.00 35.45 N ATOM 1138 NH2 ARG A 69 -35.246 7.716 -25.904 1.00 40.24 N ATOM 0 H ARG A 69 -29.846 8.325 -19.726 1.00 2.13 H new ATOM 0 HA ARG A 69 -31.349 6.569 -21.331 1.00 61.23 H new ATOM 0 HB2 ARG A 69 -31.998 8.841 -21.271 1.00 70.44 H new ATOM 0 HB3 ARG A 69 -30.369 9.418 -21.561 1.00 70.44 H new ATOM 0 HG2 ARG A 69 -31.889 9.686 -23.527 1.00 12.30 H new ATOM 0 HG3 ARG A 69 -30.450 8.750 -23.880 1.00 12.30 H new ATOM 0 HD2 ARG A 69 -31.649 6.897 -24.382 1.00 1.44 H new ATOM 0 HD3 ARG A 69 -32.618 7.030 -22.929 1.00 1.44 H new ATOM 0 HE ARG A 69 -33.534 9.049 -24.687 1.00 13.15 H new ATOM 0 HH11 ARG A 69 -33.309 5.529 -24.553 1.00 35.45 H new ATOM 0 HH12 ARG A 69 -34.738 5.283 -25.562 1.00 35.45 H new ATOM 0 HH21 ARG A 69 -35.368 8.725 -25.984 1.00 40.24 H new ATOM 0 HH22 ARG A 69 -35.899 7.085 -26.369 1.00 40.24 H new ATOM 1152 N THR A 70 -28.321 7.289 -22.418 1.00 22.00 N ATOM 1153 CA THR A 70 -27.289 6.890 -23.367 1.00 31.12 C ATOM 1154 C THR A 70 -26.369 5.833 -22.767 1.00 35.33 C ATOM 1155 O THR A 70 -25.429 5.376 -23.415 1.00 61.54 O ATOM 1156 CB THR A 70 -26.442 8.096 -23.816 1.00 31.42 C ATOM 1157 OG1 THR A 70 -25.414 7.665 -24.714 1.00 61.43 O ATOM 1158 CG2 THR A 70 -25.816 8.793 -22.618 1.00 10.33 C ATOM 0 H THR A 70 -28.020 7.984 -21.735 1.00 22.00 H new ATOM 0 HA THR A 70 -27.801 6.472 -24.234 1.00 31.12 H new ATOM 0 HB THR A 70 -27.097 8.802 -24.326 1.00 31.42 H new ATOM 0 HG1 THR A 70 -25.305 6.694 -24.645 1.00 61.43 H new ATOM 0 HG21 THR A 70 -25.223 9.641 -22.960 1.00 10.33 H new ATOM 0 HG22 THR A 70 -26.602 9.146 -21.950 1.00 10.33 H new ATOM 0 HG23 THR A 70 -25.174 8.093 -22.084 1.00 10.33 H new ATOM 1166 N GLN A 71 -26.648 5.448 -21.525 1.00 51.42 N ATOM 1167 CA GLN A 71 -25.845 4.444 -20.838 1.00 45.14 C ATOM 1168 C GLN A 71 -24.398 4.907 -20.698 1.00 51.01 C ATOM 1169 O GLN A 71 -23.467 4.172 -21.028 1.00 15.51 O ATOM 1170 CB GLN A 71 -25.896 3.115 -21.594 1.00 11.10 C ATOM 1171 CG GLN A 71 -25.653 1.903 -20.710 1.00 35.34 C ATOM 1172 CD GLN A 71 -26.401 0.673 -21.187 1.00 11.21 C ATOM 1173 OE1 GLN A 71 -26.786 0.580 -22.353 1.00 1.21 O ATOM 1174 NE2 GLN A 71 -26.611 -0.279 -20.286 1.00 21.32 N ATOM 0 H GLN A 71 -27.424 5.816 -20.975 1.00 51.42 H new ATOM 0 HA GLN A 71 -26.261 4.303 -19.840 1.00 45.14 H new ATOM 0 HB2 GLN A 71 -26.870 3.016 -22.073 1.00 11.10 H new ATOM 0 HB3 GLN A 71 -25.150 3.130 -22.389 1.00 11.10 H new ATOM 0 HG2 GLN A 71 -24.585 1.686 -20.683 1.00 35.34 H new ATOM 0 HG3 GLN A 71 -25.957 2.136 -19.689 1.00 35.34 H new ATOM 0 HE21 GLN A 71 -26.274 -0.160 -19.331 1.00 21.32 H new ATOM 0 HE22 GLN A 71 -27.109 -1.129 -20.549 1.00 21.32 H new ATOM 1183 N GLN A 72 -24.218 6.129 -20.207 1.00 50.15 N ATOM 1184 CA GLN A 72 -22.884 6.690 -20.025 1.00 74.41 C ATOM 1185 C GLN A 72 -22.527 6.774 -18.545 1.00 12.02 C ATOM 1186 O GLN A 72 -21.408 7.141 -18.187 1.00 12.35 O ATOM 1187 CB GLN A 72 -22.800 8.078 -20.662 1.00 70.42 C ATOM 1188 CG GLN A 72 -22.353 8.054 -22.115 1.00 51.00 C ATOM 1189 CD GLN A 72 -20.930 8.545 -22.296 1.00 32.21 C ATOM 1190 OE1 GLN A 72 -20.037 8.191 -21.526 1.00 64.12 O ATOM 1191 NE2 GLN A 72 -20.712 9.365 -23.317 1.00 62.34 N ATOM 0 H GLN A 72 -24.978 6.749 -19.928 1.00 50.15 H new ATOM 0 HA GLN A 72 -22.169 6.030 -20.516 1.00 74.41 H new ATOM 0 HB2 GLN A 72 -23.777 8.557 -20.599 1.00 70.42 H new ATOM 0 HB3 GLN A 72 -22.106 8.691 -20.087 1.00 70.42 H new ATOM 0 HG2 GLN A 72 -22.434 7.037 -22.499 1.00 51.00 H new ATOM 0 HG3 GLN A 72 -23.025 8.674 -22.708 1.00 51.00 H new ATOM 0 HE21 GLN A 72 -21.482 9.632 -23.930 1.00 62.34 H new ATOM 0 HE22 GLN A 72 -19.774 9.728 -23.488 1.00 62.34 H new ATOM 1200 N TRP A 73 -23.485 6.432 -17.690 1.00 45.42 N ATOM 1201 CA TRP A 73 -23.270 6.470 -16.248 1.00 14.21 C ATOM 1202 C TRP A 73 -22.099 5.580 -15.848 1.00 34.42 C ATOM 1203 O TRP A 73 -21.369 5.885 -14.905 1.00 71.11 O ATOM 1204 CB TRP A 73 -24.537 6.030 -15.512 1.00 21.21 C ATOM 1205 CG TRP A 73 -24.354 5.920 -14.028 1.00 51.43 C ATOM 1206 CD1 TRP A 73 -24.679 4.854 -13.239 1.00 13.51 C ATOM 1207 CD2 TRP A 73 -23.805 6.915 -13.157 1.00 31.11 C ATOM 1208 NE1 TRP A 73 -24.365 5.126 -11.929 1.00 55.51 N ATOM 1209 CE2 TRP A 73 -23.827 6.384 -11.852 1.00 60.44 C ATOM 1210 CE3 TRP A 73 -23.295 8.201 -13.352 1.00 12.34 C ATOM 1211 CZ2 TRP A 73 -23.360 7.096 -10.751 1.00 62.21 C ATOM 1212 CZ3 TRP A 73 -22.832 8.907 -12.257 1.00 72.15 C ATOM 1213 CH2 TRP A 73 -22.866 8.353 -10.971 1.00 12.12 C ATOM 0 H TRP A 73 -24.417 6.126 -17.970 1.00 45.42 H new ATOM 0 HA TRP A 73 -23.033 7.496 -15.968 1.00 14.21 H new ATOM 0 HB2 TRP A 73 -25.336 6.742 -15.721 1.00 21.21 H new ATOM 0 HB3 TRP A 73 -24.860 5.065 -15.904 1.00 21.21 H new ATOM 0 HD1 TRP A 73 -25.118 3.933 -13.592 1.00 13.51 H new ATOM 0 HE1 TRP A 73 -24.509 4.494 -11.142 1.00 55.51 H new ATOM 0 HE3 TRP A 73 -23.263 8.636 -14.340 1.00 12.34 H new ATOM 0 HZ2 TRP A 73 -23.387 6.671 -9.758 1.00 62.21 H new ATOM 0 HZ3 TRP A 73 -22.437 9.903 -12.396 1.00 72.15 H new ATOM 0 HH2 TRP A 73 -22.495 8.929 -10.136 1.00 12.12 H new ATOM 1224 N SER A 74 -21.926 4.477 -16.570 1.00 41.42 N ATOM 1225 CA SER A 74 -20.845 3.540 -16.288 1.00 2.54 C ATOM 1226 C SER A 74 -19.485 4.206 -16.480 1.00 73.52 C ATOM 1227 O SER A 74 -18.594 4.074 -15.642 1.00 42.41 O ATOM 1228 CB SER A 74 -20.957 2.312 -17.192 1.00 61.30 C ATOM 1229 OG SER A 74 -22.312 1.956 -17.404 1.00 12.40 O ATOM 0 H SER A 74 -22.521 4.211 -17.355 1.00 41.42 H new ATOM 0 HA SER A 74 -20.932 3.225 -15.248 1.00 2.54 H new ATOM 0 HB2 SER A 74 -20.478 2.516 -18.149 1.00 61.30 H new ATOM 0 HB3 SER A 74 -20.424 1.475 -16.741 1.00 61.30 H new ATOM 0 HG SER A 74 -22.356 1.169 -17.986 1.00 12.40 H new ATOM 1235 N MET A 75 -19.335 4.920 -17.591 1.00 31.31 N ATOM 1236 CA MET A 75 -18.085 5.607 -17.894 1.00 70.31 C ATOM 1237 C MET A 75 -17.902 6.824 -16.994 1.00 2.51 C ATOM 1238 O MET A 75 -16.830 7.034 -16.426 1.00 63.51 O ATOM 1239 CB MET A 75 -18.056 6.035 -19.363 1.00 35.44 C ATOM 1240 CG MET A 75 -17.166 5.163 -20.232 1.00 63.55 C ATOM 1241 SD MET A 75 -15.449 5.713 -20.239 1.00 64.42 S ATOM 1242 CE MET A 75 -14.603 4.178 -20.613 1.00 51.40 C ATOM 0 H MET A 75 -20.063 5.038 -18.296 1.00 31.31 H new ATOM 0 HA MET A 75 -17.264 4.914 -17.709 1.00 70.31 H new ATOM 0 HB2 MET A 75 -19.071 6.013 -19.760 1.00 35.44 H new ATOM 0 HB3 MET A 75 -17.712 7.067 -19.425 1.00 35.44 H new ATOM 0 HG2 MET A 75 -17.212 4.134 -19.875 1.00 63.55 H new ATOM 0 HG3 MET A 75 -17.548 5.164 -21.253 1.00 63.55 H new ATOM 0 HE1 MET A 75 -13.528 4.355 -20.652 1.00 51.40 H new ATOM 0 HE2 MET A 75 -14.822 3.444 -19.838 1.00 51.40 H new ATOM 0 HE3 MET A 75 -14.943 3.800 -21.577 1.00 51.40 H new ATOM 1252 N VAL A 76 -18.955 7.626 -16.868 1.00 60.22 N ATOM 1253 CA VAL A 76 -18.910 8.822 -16.036 1.00 52.44 C ATOM 1254 C VAL A 76 -18.601 8.472 -14.585 1.00 75.32 C ATOM 1255 O VAL A 76 -17.761 9.106 -13.948 1.00 71.10 O ATOM 1256 CB VAL A 76 -20.241 9.596 -16.094 1.00 44.32 C ATOM 1257 CG1 VAL A 76 -20.155 10.868 -15.265 1.00 11.44 C ATOM 1258 CG2 VAL A 76 -20.610 9.914 -17.535 1.00 63.34 C ATOM 0 H VAL A 76 -19.850 7.469 -17.332 1.00 60.22 H new ATOM 0 HA VAL A 76 -18.114 9.452 -16.431 1.00 52.44 H new ATOM 0 HB VAL A 76 -21.025 8.968 -15.672 1.00 44.32 H new ATOM 0 HG11 VAL A 76 -21.104 11.402 -15.318 1.00 11.44 H new ATOM 0 HG12 VAL A 76 -19.940 10.612 -14.228 1.00 11.44 H new ATOM 0 HG13 VAL A 76 -19.360 11.503 -15.655 1.00 11.44 H new ATOM 0 HG21 VAL A 76 -21.553 10.461 -17.557 1.00 63.34 H new ATOM 0 HG22 VAL A 76 -19.826 10.523 -17.985 1.00 63.34 H new ATOM 0 HG23 VAL A 76 -20.716 8.986 -18.097 1.00 63.34 H new ATOM 1268 N ALA A 77 -19.287 7.457 -14.069 1.00 21.12 N ATOM 1269 CA ALA A 77 -19.084 7.020 -12.693 1.00 72.42 C ATOM 1270 C ALA A 77 -17.618 6.693 -12.431 1.00 41.23 C ATOM 1271 O ALA A 77 -17.093 6.978 -11.355 1.00 64.44 O ATOM 1272 CB ALA A 77 -19.958 5.812 -12.389 1.00 73.11 C ATOM 0 H ALA A 77 -19.988 6.922 -14.583 1.00 21.12 H new ATOM 0 HA ALA A 77 -19.370 7.838 -12.032 1.00 72.42 H new ATOM 0 HB1 ALA A 77 -19.796 5.496 -11.358 1.00 73.11 H new ATOM 0 HB2 ALA A 77 -21.006 6.077 -12.527 1.00 73.11 H new ATOM 0 HB3 ALA A 77 -19.698 4.996 -13.063 1.00 73.11 H new ATOM 1278 N GLN A 78 -16.964 6.094 -13.421 1.00 42.43 N ATOM 1279 CA GLN A 78 -15.558 5.728 -13.296 1.00 0.21 C ATOM 1280 C GLN A 78 -14.685 6.968 -13.134 1.00 1.20 C ATOM 1281 O GLN A 78 -13.656 6.931 -12.459 1.00 61.11 O ATOM 1282 CB GLN A 78 -15.106 4.928 -14.519 1.00 14.21 C ATOM 1283 CG GLN A 78 -13.745 4.274 -14.349 1.00 60.40 C ATOM 1284 CD GLN A 78 -12.953 4.230 -15.641 1.00 0.31 C ATOM 1285 OE1 GLN A 78 -11.987 4.974 -15.816 1.00 32.12 O ATOM 1286 NE2 GLN A 78 -13.358 3.356 -16.555 1.00 51.40 N ATOM 0 H GLN A 78 -17.385 5.852 -14.318 1.00 42.43 H new ATOM 0 HA GLN A 78 -15.448 5.109 -12.405 1.00 0.21 H new ATOM 0 HB2 GLN A 78 -15.846 4.157 -14.732 1.00 14.21 H new ATOM 0 HB3 GLN A 78 -15.076 5.590 -15.385 1.00 14.21 H new ATOM 0 HG2 GLN A 78 -13.175 4.820 -13.597 1.00 60.40 H new ATOM 0 HG3 GLN A 78 -13.878 3.259 -13.974 1.00 60.40 H new ATOM 0 HE21 GLN A 78 -14.164 2.759 -16.368 1.00 51.40 H new ATOM 0 HE22 GLN A 78 -12.864 3.282 -17.444 1.00 51.40 H new ATOM 1295 N ARG A 79 -15.102 8.065 -13.758 1.00 11.14 N ATOM 1296 CA ARG A 79 -14.357 9.316 -13.684 1.00 0.11 C ATOM 1297 C ARG A 79 -14.197 9.769 -12.236 1.00 14.24 C ATOM 1298 O ARG A 79 -13.122 10.208 -11.826 1.00 42.30 O ATOM 1299 CB ARG A 79 -15.064 10.404 -14.495 1.00 24.11 C ATOM 1300 CG ARG A 79 -14.127 11.205 -15.385 1.00 75.21 C ATOM 1301 CD ARG A 79 -14.090 10.646 -16.799 1.00 2.30 C ATOM 1302 NE ARG A 79 -13.765 11.674 -17.785 1.00 34.31 N ATOM 1303 CZ ARG A 79 -12.545 12.169 -17.956 1.00 63.41 C ATOM 1304 NH1 ARG A 79 -11.538 11.732 -17.212 1.00 13.05 N ATOM 1305 NH2 ARG A 79 -12.329 13.102 -18.874 1.00 64.02 N ATOM 0 H ARG A 79 -15.952 8.113 -14.320 1.00 11.14 H new ATOM 0 HA ARG A 79 -13.366 9.145 -14.104 1.00 0.11 H new ATOM 0 HB2 ARG A 79 -15.833 9.942 -15.114 1.00 24.11 H new ATOM 0 HB3 ARG A 79 -15.571 11.084 -13.811 1.00 24.11 H new ATOM 0 HG2 ARG A 79 -14.450 12.246 -15.412 1.00 75.21 H new ATOM 0 HG3 ARG A 79 -13.123 11.194 -14.962 1.00 75.21 H new ATOM 0 HD2 ARG A 79 -13.352 9.845 -16.853 1.00 2.30 H new ATOM 0 HD3 ARG A 79 -15.057 10.205 -17.040 1.00 2.30 H new ATOM 0 HE ARG A 79 -14.517 12.031 -18.375 1.00 34.31 H new ATOM 0 HH11 ARG A 79 -11.700 11.014 -16.506 1.00 13.05 H new ATOM 0 HH12 ARG A 79 -10.602 12.114 -17.346 1.00 13.05 H new ATOM 0 HH21 ARG A 79 -13.101 13.440 -19.449 1.00 64.02 H new ATOM 0 HH22 ARG A 79 -11.391 13.482 -19.005 1.00 64.02 H new ATOM 1319 N LEU A 80 -15.274 9.660 -11.465 1.00 51.41 N ATOM 1320 CA LEU A 80 -15.254 10.059 -10.062 1.00 53.20 C ATOM 1321 C LEU A 80 -15.034 8.852 -9.156 1.00 11.21 C ATOM 1322 O LEU A 80 -14.907 8.993 -7.940 1.00 34.32 O ATOM 1323 CB LEU A 80 -16.564 10.757 -9.691 1.00 50.34 C ATOM 1324 CG LEU A 80 -17.845 10.095 -10.199 1.00 60.45 C ATOM 1325 CD1 LEU A 80 -18.979 10.294 -9.206 1.00 53.03 C ATOM 1326 CD2 LEU A 80 -18.226 10.648 -11.565 1.00 60.51 C ATOM 0 H LEU A 80 -16.172 9.299 -11.788 1.00 51.41 H new ATOM 0 HA LEU A 80 -14.426 10.753 -9.919 1.00 53.20 H new ATOM 0 HB2 LEU A 80 -16.621 10.826 -8.605 1.00 50.34 H new ATOM 0 HB3 LEU A 80 -16.530 11.777 -10.074 1.00 50.34 H new ATOM 0 HG LEU A 80 -17.662 9.025 -10.301 1.00 60.45 H new ATOM 0 HD11 LEU A 80 -19.882 9.816 -9.585 1.00 53.03 H new ATOM 0 HD12 LEU A 80 -18.707 9.849 -8.249 1.00 53.03 H new ATOM 0 HD13 LEU A 80 -19.162 11.360 -9.071 1.00 53.03 H new ATOM 0 HD21 LEU A 80 -19.140 10.165 -11.911 1.00 60.51 H new ATOM 0 HD22 LEU A 80 -18.389 11.723 -11.490 1.00 60.51 H new ATOM 0 HD23 LEU A 80 -17.422 10.452 -12.274 1.00 60.51 H new ATOM 1338 N GLN A 81 -14.988 7.668 -9.757 1.00 64.13 N ATOM 1339 CA GLN A 81 -14.781 6.437 -9.004 1.00 22.31 C ATOM 1340 C GLN A 81 -15.948 6.175 -8.058 1.00 72.42 C ATOM 1341 O GLN A 81 -15.751 5.901 -6.874 1.00 3.41 O ATOM 1342 CB GLN A 81 -13.474 6.512 -8.212 1.00 33.12 C ATOM 1343 CG GLN A 81 -12.830 5.156 -7.971 1.00 42.33 C ATOM 1344 CD GLN A 81 -12.522 4.908 -6.508 1.00 34.32 C ATOM 1345 OE1 GLN A 81 -13.386 5.067 -5.644 1.00 43.04 O ATOM 1346 NE2 GLN A 81 -11.287 4.514 -6.221 1.00 0.44 N ATOM 0 H GLN A 81 -15.091 7.535 -10.763 1.00 64.13 H new ATOM 0 HA GLN A 81 -14.720 5.612 -9.714 1.00 22.31 H new ATOM 0 HB2 GLN A 81 -12.770 7.149 -8.748 1.00 33.12 H new ATOM 0 HB3 GLN A 81 -13.668 6.989 -7.251 1.00 33.12 H new ATOM 0 HG2 GLN A 81 -13.494 4.373 -8.336 1.00 42.33 H new ATOM 0 HG3 GLN A 81 -11.908 5.088 -8.549 1.00 42.33 H new ATOM 0 HE21 GLN A 81 -10.603 4.395 -6.968 1.00 0.44 H new ATOM 0 HE22 GLN A 81 -11.022 4.330 -5.253 1.00 0.44 H new ATOM 1355 N ILE A 82 -17.163 6.260 -8.589 1.00 35.13 N ATOM 1356 CA ILE A 82 -18.362 6.031 -7.792 1.00 12.15 C ATOM 1357 C ILE A 82 -18.975 4.669 -8.099 1.00 52.21 C ATOM 1358 O ILE A 82 -19.677 4.091 -7.269 1.00 51.33 O ATOM 1359 CB ILE A 82 -19.419 7.124 -8.037 1.00 43.42 C ATOM 1360 CG1 ILE A 82 -20.610 6.934 -7.096 1.00 3.03 C ATOM 1361 CG2 ILE A 82 -19.875 7.103 -9.488 1.00 51.53 C ATOM 1362 CD1 ILE A 82 -21.316 8.225 -6.746 1.00 4.25 C ATOM 0 H ILE A 82 -17.343 6.486 -9.567 1.00 35.13 H new ATOM 0 HA ILE A 82 -18.056 6.061 -6.746 1.00 12.15 H new ATOM 0 HB ILE A 82 -18.970 8.096 -7.831 1.00 43.42 H new ATOM 0 HG12 ILE A 82 -21.324 6.253 -7.560 1.00 3.03 H new ATOM 0 HG13 ILE A 82 -20.265 6.458 -6.178 1.00 3.03 H new ATOM 0 HG21 ILE A 82 -20.622 7.881 -9.646 1.00 51.53 H new ATOM 0 HG22 ILE A 82 -19.021 7.283 -10.141 1.00 51.53 H new ATOM 0 HG23 ILE A 82 -20.310 6.130 -9.719 1.00 51.53 H new ATOM 0 HD11 ILE A 82 -22.149 8.014 -6.076 1.00 4.25 H new ATOM 0 HD12 ILE A 82 -20.616 8.900 -6.253 1.00 4.25 H new ATOM 0 HD13 ILE A 82 -21.692 8.693 -7.656 1.00 4.25 H new ATOM 1374 N SER A 83 -18.704 4.161 -9.297 1.00 24.11 N ATOM 1375 CA SER A 83 -19.230 2.867 -9.715 1.00 50.15 C ATOM 1376 C SER A 83 -18.211 2.116 -10.567 1.00 31.21 C ATOM 1377 O SER A 83 -18.409 1.925 -11.767 1.00 43.00 O ATOM 1378 CB SER A 83 -20.530 3.051 -10.500 1.00 54.51 C ATOM 1379 OG SER A 83 -21.352 4.038 -9.901 1.00 40.50 O ATOM 0 H SER A 83 -18.123 4.626 -9.995 1.00 24.11 H new ATOM 0 HA SER A 83 -19.434 2.279 -8.820 1.00 50.15 H new ATOM 0 HB2 SER A 83 -20.301 3.338 -11.526 1.00 54.51 H new ATOM 0 HB3 SER A 83 -21.068 2.104 -10.546 1.00 54.51 H new ATOM 0 HG SER A 83 -22.176 4.138 -10.422 1.00 40.50 H new ATOM 1385 N ASP A 84 -17.121 1.692 -9.937 1.00 31.11 N ATOM 1386 CA ASP A 84 -16.070 0.960 -10.635 1.00 54.20 C ATOM 1387 C ASP A 84 -16.290 -0.545 -10.523 1.00 20.21 C ATOM 1388 O ASP A 84 -15.434 -1.272 -10.017 1.00 14.44 O ATOM 1389 CB ASP A 84 -14.699 1.332 -10.069 1.00 63.44 C ATOM 1390 CG ASP A 84 -14.126 2.579 -10.713 1.00 4.03 C ATOM 1391 OD1 ASP A 84 -14.715 3.060 -11.703 1.00 14.05 O ATOM 1392 OD2 ASP A 84 -13.087 3.074 -10.227 1.00 23.20 O ATOM 0 H ASP A 84 -16.942 1.843 -8.944 1.00 31.11 H new ATOM 0 HA ASP A 84 -16.106 1.236 -11.689 1.00 54.20 H new ATOM 0 HB2 ASP A 84 -14.783 1.488 -8.994 1.00 63.44 H new ATOM 0 HB3 ASP A 84 -14.010 0.501 -10.217 1.00 63.44 H new ATOM 1397 N TYR A 85 -17.442 -1.007 -10.997 1.00 44.34 N ATOM 1398 CA TYR A 85 -17.775 -2.425 -10.947 1.00 74.23 C ATOM 1399 C TYR A 85 -18.027 -2.875 -9.511 1.00 73.25 C ATOM 1400 O TYR A 85 -18.654 -2.163 -8.728 1.00 12.21 O ATOM 1401 CB TYR A 85 -16.650 -3.257 -11.564 1.00 72.54 C ATOM 1402 CG TYR A 85 -16.074 -2.656 -12.826 1.00 50.32 C ATOM 1403 CD1 TYR A 85 -16.885 -2.377 -13.919 1.00 53.04 C ATOM 1404 CD2 TYR A 85 -14.719 -2.367 -12.926 1.00 3.12 C ATOM 1405 CE1 TYR A 85 -16.363 -1.828 -15.075 1.00 13.13 C ATOM 1406 CE2 TYR A 85 -14.188 -1.816 -14.076 1.00 74.45 C ATOM 1407 CZ TYR A 85 -15.015 -1.549 -15.148 1.00 45.11 C ATOM 1408 OH TYR A 85 -14.490 -1.002 -16.297 1.00 2.14 O ATOM 0 H TYR A 85 -18.161 -0.420 -11.420 1.00 44.34 H new ATOM 0 HA TYR A 85 -18.688 -2.578 -11.522 1.00 74.23 H new ATOM 0 HB2 TYR A 85 -15.852 -3.374 -10.831 1.00 72.54 H new ATOM 0 HB3 TYR A 85 -17.028 -4.255 -11.787 1.00 72.54 H new ATOM 0 HD1 TYR A 85 -17.942 -2.593 -13.864 1.00 53.04 H new ATOM 0 HD2 TYR A 85 -14.069 -2.577 -12.089 1.00 3.12 H new ATOM 0 HE1 TYR A 85 -17.007 -1.619 -15.916 1.00 13.13 H new ATOM 0 HE2 TYR A 85 -13.132 -1.596 -14.136 1.00 74.45 H new ATOM 0 HH TYR A 85 -13.526 -0.866 -16.184 1.00 2.14 H new ATOM 1418 N GLN A 86 -17.533 -4.062 -9.175 1.00 70.20 N ATOM 1419 CA GLN A 86 -17.704 -4.608 -7.834 1.00 31.12 C ATOM 1420 C GLN A 86 -17.277 -3.596 -6.776 1.00 24.43 C ATOM 1421 O GLN A 86 -17.852 -3.541 -5.689 1.00 63.21 O ATOM 1422 CB GLN A 86 -16.897 -5.898 -7.679 1.00 20.14 C ATOM 1423 CG GLN A 86 -15.393 -5.682 -7.713 1.00 64.42 C ATOM 1424 CD GLN A 86 -14.629 -6.949 -8.048 1.00 0.45 C ATOM 1425 OE1 GLN A 86 -13.963 -7.032 -9.080 1.00 11.50 O ATOM 1426 NE2 GLN A 86 -14.721 -7.944 -7.174 1.00 33.14 N ATOM 0 H GLN A 86 -17.011 -4.664 -9.812 1.00 70.20 H new ATOM 0 HA GLN A 86 -18.761 -4.831 -7.691 1.00 31.12 H new ATOM 0 HB2 GLN A 86 -17.166 -6.374 -6.736 1.00 20.14 H new ATOM 0 HB3 GLN A 86 -17.175 -6.588 -8.475 1.00 20.14 H new ATOM 0 HG2 GLN A 86 -15.157 -4.914 -8.450 1.00 64.42 H new ATOM 0 HG3 GLN A 86 -15.061 -5.308 -6.745 1.00 64.42 H new ATOM 0 HE21 GLN A 86 -15.284 -7.832 -6.331 1.00 33.14 H new ATOM 0 HE22 GLN A 86 -14.228 -8.820 -7.345 1.00 33.14 H new ATOM 1435 N GLN A 87 -16.265 -2.799 -7.101 1.00 45.23 N ATOM 1436 CA GLN A 87 -15.760 -1.790 -6.177 1.00 41.15 C ATOM 1437 C GLN A 87 -16.867 -0.824 -5.769 1.00 1.41 C ATOM 1438 O GLN A 87 -16.820 -0.230 -4.691 1.00 14.33 O ATOM 1439 CB GLN A 87 -14.603 -1.018 -6.814 1.00 64.32 C ATOM 1440 CG GLN A 87 -13.496 -0.664 -5.834 1.00 64.24 C ATOM 1441 CD GLN A 87 -12.774 -1.887 -5.303 1.00 4.43 C ATOM 1442 OE1 GLN A 87 -12.888 -2.226 -4.125 1.00 1.24 O ATOM 1443 NE2 GLN A 87 -12.025 -2.556 -6.171 1.00 25.31 N ATOM 0 H GLN A 87 -15.778 -2.832 -7.997 1.00 45.23 H new ATOM 0 HA GLN A 87 -15.399 -2.300 -5.284 1.00 41.15 H new ATOM 0 HB2 GLN A 87 -14.183 -1.613 -7.625 1.00 64.32 H new ATOM 0 HB3 GLN A 87 -14.990 -0.101 -7.259 1.00 64.32 H new ATOM 0 HG2 GLN A 87 -12.778 -0.007 -6.325 1.00 64.24 H new ATOM 0 HG3 GLN A 87 -13.920 -0.106 -4.999 1.00 64.24 H new ATOM 0 HE21 GLN A 87 -11.959 -2.239 -7.138 1.00 25.31 H new ATOM 0 HE22 GLN A 87 -11.515 -3.387 -5.871 1.00 25.31 H new ATOM 1452 N LEU A 88 -17.861 -0.670 -6.636 1.00 73.32 N ATOM 1453 CA LEU A 88 -18.981 0.225 -6.366 1.00 31.31 C ATOM 1454 C LEU A 88 -19.624 -0.099 -5.021 1.00 54.32 C ATOM 1455 O LEU A 88 -20.214 0.770 -4.380 1.00 2.41 O ATOM 1456 CB LEU A 88 -20.023 0.121 -7.481 1.00 33.21 C ATOM 1457 CG LEU A 88 -21.055 -0.998 -7.333 1.00 64.44 C ATOM 1458 CD1 LEU A 88 -22.268 -0.508 -6.559 1.00 41.40 C ATOM 1459 CD2 LEU A 88 -21.469 -1.525 -8.700 1.00 21.34 C ATOM 0 H LEU A 88 -17.915 -1.153 -7.533 1.00 73.32 H new ATOM 0 HA LEU A 88 -18.599 1.245 -6.329 1.00 31.31 H new ATOM 0 HB2 LEU A 88 -20.553 1.071 -7.545 1.00 33.21 H new ATOM 0 HB3 LEU A 88 -19.500 -0.017 -8.428 1.00 33.21 H new ATOM 0 HG LEU A 88 -20.599 -1.815 -6.773 1.00 64.44 H new ATOM 0 HD11 LEU A 88 -22.991 -1.318 -6.464 1.00 41.40 H new ATOM 0 HD12 LEU A 88 -21.958 -0.180 -5.567 1.00 41.40 H new ATOM 0 HD13 LEU A 88 -22.726 0.326 -7.090 1.00 41.40 H new ATOM 0 HD21 LEU A 88 -22.204 -2.321 -8.576 1.00 21.34 H new ATOM 0 HD22 LEU A 88 -21.906 -0.716 -9.285 1.00 21.34 H new ATOM 0 HD23 LEU A 88 -20.594 -1.917 -9.219 1.00 21.34 H new ATOM 1471 N GLU A 89 -19.505 -1.354 -4.600 1.00 63.14 N ATOM 1472 CA GLU A 89 -20.074 -1.791 -3.331 1.00 2.11 C ATOM 1473 C GLU A 89 -19.348 -1.141 -2.157 1.00 3.23 C ATOM 1474 O GLU A 89 -19.977 -0.625 -1.233 1.00 3.30 O ATOM 1475 CB GLU A 89 -19.999 -3.314 -3.211 1.00 31.55 C ATOM 1476 CG GLU A 89 -21.359 -3.985 -3.115 1.00 53.12 C ATOM 1477 CD GLU A 89 -21.259 -5.491 -2.971 1.00 64.12 C ATOM 1478 OE1 GLU A 89 -20.956 -6.164 -3.979 1.00 43.30 O ATOM 1479 OE2 GLU A 89 -21.483 -5.997 -1.852 1.00 4.01 O ATOM 0 H GLU A 89 -19.020 -2.086 -5.119 1.00 63.14 H new ATOM 0 HA GLU A 89 -21.119 -1.483 -3.305 1.00 2.11 H new ATOM 0 HB2 GLU A 89 -19.467 -3.712 -4.075 1.00 31.55 H new ATOM 0 HB3 GLU A 89 -19.413 -3.572 -2.329 1.00 31.55 H new ATOM 0 HG2 GLU A 89 -21.901 -3.578 -2.262 1.00 53.12 H new ATOM 0 HG3 GLU A 89 -21.941 -3.747 -4.005 1.00 53.12 H new ATOM 1486 N SER A 90 -18.020 -1.171 -2.200 1.00 45.30 N ATOM 1487 CA SER A 90 -17.207 -0.589 -1.138 1.00 42.34 C ATOM 1488 C SER A 90 -17.364 0.928 -1.103 1.00 54.42 C ATOM 1489 O SER A 90 -17.458 1.529 -0.032 1.00 60.22 O ATOM 1490 CB SER A 90 -15.735 -0.955 -1.335 1.00 24.40 C ATOM 1491 OG SER A 90 -15.079 -0.008 -2.160 1.00 61.34 O ATOM 0 H SER A 90 -17.484 -1.592 -2.959 1.00 45.30 H new ATOM 0 HA SER A 90 -17.551 -0.995 -0.187 1.00 42.34 H new ATOM 0 HB2 SER A 90 -15.237 -1.005 -0.367 1.00 24.40 H new ATOM 0 HB3 SER A 90 -15.660 -1.946 -1.783 1.00 24.40 H new ATOM 0 HG SER A 90 -15.510 0.013 -3.040 1.00 61.34 H new ATOM 1497 N ILE A 91 -17.393 1.541 -2.282 1.00 1.32 N ATOM 1498 CA ILE A 91 -17.540 2.988 -2.387 1.00 32.43 C ATOM 1499 C ILE A 91 -18.908 3.439 -1.885 1.00 24.21 C ATOM 1500 O ILE A 91 -19.023 4.449 -1.190 1.00 33.41 O ATOM 1501 CB ILE A 91 -17.354 3.469 -3.838 1.00 31.31 C ATOM 1502 CG1 ILE A 91 -15.976 3.058 -4.362 1.00 34.13 C ATOM 1503 CG2 ILE A 91 -17.531 4.977 -3.923 1.00 4.45 C ATOM 1504 CD1 ILE A 91 -16.009 2.478 -5.759 1.00 13.35 C ATOM 0 H ILE A 91 -17.317 1.059 -3.177 1.00 1.32 H new ATOM 0 HA ILE A 91 -16.763 3.430 -1.764 1.00 32.43 H new ATOM 0 HB ILE A 91 -18.114 2.998 -4.461 1.00 31.31 H new ATOM 0 HG12 ILE A 91 -15.319 3.928 -4.354 1.00 34.13 H new ATOM 0 HG13 ILE A 91 -15.542 2.324 -3.683 1.00 34.13 H new ATOM 0 HG21 ILE A 91 -17.396 5.302 -4.955 1.00 4.45 H new ATOM 0 HG22 ILE A 91 -18.532 5.245 -3.586 1.00 4.45 H new ATOM 0 HG23 ILE A 91 -16.791 5.466 -3.289 1.00 4.45 H new ATOM 0 HD11 ILE A 91 -14.998 2.209 -6.065 1.00 13.35 H new ATOM 0 HD12 ILE A 91 -16.640 1.589 -5.769 1.00 13.35 H new ATOM 0 HD13 ILE A 91 -16.413 3.217 -6.450 1.00 13.35 H new ATOM 1516 N TYR A 92 -19.941 2.683 -2.240 1.00 43.10 N ATOM 1517 CA TYR A 92 -21.301 3.005 -1.826 1.00 52.23 C ATOM 1518 C TYR A 92 -21.465 2.842 -0.318 1.00 73.44 C ATOM 1519 O TYR A 92 -22.143 3.636 0.334 1.00 2.11 O ATOM 1520 CB TYR A 92 -22.304 2.113 -2.559 1.00 73.04 C ATOM 1521 CG TYR A 92 -23.726 2.269 -2.068 1.00 43.10 C ATOM 1522 CD1 TYR A 92 -24.523 3.319 -2.508 1.00 25.22 C ATOM 1523 CD2 TYR A 92 -24.272 1.366 -1.164 1.00 70.14 C ATOM 1524 CE1 TYR A 92 -25.821 3.465 -2.061 1.00 13.53 C ATOM 1525 CE2 TYR A 92 -25.570 1.504 -0.713 1.00 74.00 C ATOM 1526 CZ TYR A 92 -26.341 2.556 -1.164 1.00 22.43 C ATOM 1527 OH TYR A 92 -27.635 2.697 -0.717 1.00 44.51 O ATOM 0 H TYR A 92 -19.862 1.843 -2.813 1.00 43.10 H new ATOM 0 HA TYR A 92 -21.495 4.046 -2.083 1.00 52.23 H new ATOM 0 HB2 TYR A 92 -22.269 2.341 -3.624 1.00 73.04 H new ATOM 0 HB3 TYR A 92 -22.002 1.072 -2.446 1.00 73.04 H new ATOM 0 HD1 TYR A 92 -24.120 4.033 -3.211 1.00 25.22 H new ATOM 0 HD2 TYR A 92 -23.671 0.542 -0.808 1.00 70.14 H new ATOM 0 HE1 TYR A 92 -26.426 4.287 -2.412 1.00 13.53 H new ATOM 0 HE2 TYR A 92 -25.979 0.793 -0.011 1.00 74.00 H new ATOM 0 HH TYR A 92 -27.846 1.973 -0.091 1.00 44.51 H new ATOM 1537 N PHE A 93 -20.839 1.805 0.229 1.00 12.22 N ATOM 1538 CA PHE A 93 -20.915 1.535 1.660 1.00 1.43 C ATOM 1539 C PHE A 93 -20.235 2.643 2.459 1.00 12.54 C ATOM 1540 O PHE A 93 -20.815 3.193 3.397 1.00 63.45 O ATOM 1541 CB PHE A 93 -20.266 0.188 1.982 1.00 63.42 C ATOM 1542 CG PHE A 93 -21.011 -0.605 3.017 1.00 73.21 C ATOM 1543 CD1 PHE A 93 -20.915 -0.279 4.360 1.00 21.32 C ATOM 1544 CD2 PHE A 93 -21.809 -1.676 2.647 1.00 50.23 C ATOM 1545 CE1 PHE A 93 -21.599 -1.008 5.315 1.00 53.23 C ATOM 1546 CE2 PHE A 93 -22.496 -2.408 3.597 1.00 52.32 C ATOM 1547 CZ PHE A 93 -22.392 -2.072 4.932 1.00 21.45 C ATOM 0 H PHE A 93 -20.274 1.138 -0.297 1.00 12.22 H new ATOM 0 HA PHE A 93 -21.967 1.500 1.942 1.00 1.43 H new ATOM 0 HB2 PHE A 93 -20.195 -0.400 1.067 1.00 63.42 H new ATOM 0 HB3 PHE A 93 -19.247 0.359 2.331 1.00 63.42 H new ATOM 0 HD1 PHE A 93 -20.299 0.554 4.664 1.00 21.32 H new ATOM 0 HD2 PHE A 93 -21.895 -1.942 1.604 1.00 50.23 H new ATOM 0 HE1 PHE A 93 -21.513 -0.746 6.359 1.00 53.23 H new ATOM 0 HE2 PHE A 93 -23.113 -3.241 3.295 1.00 52.32 H new ATOM 0 HZ PHE A 93 -22.930 -2.641 5.676 1.00 21.45 H new ATOM 1557 N ARG A 94 -19.002 2.966 2.082 1.00 54.11 N ATOM 1558 CA ARG A 94 -18.242 4.007 2.764 1.00 74.24 C ATOM 1559 C ARG A 94 -18.915 5.367 2.600 1.00 63.23 C ATOM 1560 O ARG A 94 -18.877 6.202 3.504 1.00 63.20 O ATOM 1561 CB ARG A 94 -16.814 4.064 2.220 1.00 25.50 C ATOM 1562 CG ARG A 94 -16.733 4.489 0.763 1.00 4.52 C ATOM 1563 CD ARG A 94 -15.297 4.489 0.262 1.00 70.14 C ATOM 1564 NE ARG A 94 -15.036 5.597 -0.653 1.00 54.11 N ATOM 1565 CZ ARG A 94 -14.024 5.618 -1.513 1.00 73.42 C ATOM 1566 NH1 ARG A 94 -13.182 4.595 -1.576 1.00 15.20 N ATOM 1567 NH2 ARG A 94 -13.853 6.662 -2.313 1.00 50.33 N ATOM 0 H ARG A 94 -18.508 2.522 1.308 1.00 54.11 H new ATOM 0 HA ARG A 94 -18.210 3.762 3.826 1.00 74.24 H new ATOM 0 HB2 ARG A 94 -16.231 4.759 2.825 1.00 25.50 H new ATOM 0 HB3 ARG A 94 -16.353 3.082 2.329 1.00 25.50 H new ATOM 0 HG2 ARG A 94 -17.333 3.814 0.152 1.00 4.52 H new ATOM 0 HG3 ARG A 94 -17.159 5.486 0.649 1.00 4.52 H new ATOM 0 HD2 ARG A 94 -14.617 4.553 1.111 1.00 70.14 H new ATOM 0 HD3 ARG A 94 -15.089 3.546 -0.243 1.00 70.14 H new ATOM 0 HE ARG A 94 -15.666 6.399 -0.630 1.00 54.11 H new ATOM 0 HH11 ARG A 94 -13.311 3.790 -0.963 1.00 15.20 H new ATOM 0 HH12 ARG A 94 -12.406 4.613 -2.237 1.00 15.20 H new ATOM 0 HH21 ARG A 94 -14.499 7.450 -2.268 1.00 50.33 H new ATOM 0 HH22 ARG A 94 -13.075 6.677 -2.973 1.00 50.33 H new ATOM 1581 N ILE A 95 -19.529 5.582 1.441 1.00 25.31 N ATOM 1582 CA ILE A 95 -20.209 6.839 1.160 1.00 52.54 C ATOM 1583 C ILE A 95 -21.552 6.911 1.879 1.00 70.33 C ATOM 1584 O ILE A 95 -22.050 7.996 2.181 1.00 30.02 O ATOM 1585 CB ILE A 95 -20.438 7.030 -0.351 1.00 71.25 C ATOM 1586 CG1 ILE A 95 -19.115 7.342 -1.054 1.00 73.14 C ATOM 1587 CG2 ILE A 95 -21.450 8.139 -0.598 1.00 61.24 C ATOM 1588 CD1 ILE A 95 -19.215 7.327 -2.564 1.00 0.13 C ATOM 0 H ILE A 95 -19.569 4.902 0.682 1.00 25.31 H new ATOM 0 HA ILE A 95 -19.561 7.636 1.525 1.00 52.54 H new ATOM 0 HB ILE A 95 -20.837 6.103 -0.763 1.00 71.25 H new ATOM 0 HG12 ILE A 95 -18.763 8.322 -0.731 1.00 73.14 H new ATOM 0 HG13 ILE A 95 -18.366 6.615 -0.740 1.00 73.14 H new ATOM 0 HG21 ILE A 95 -21.601 8.262 -1.671 1.00 61.24 H new ATOM 0 HG22 ILE A 95 -22.397 7.879 -0.126 1.00 61.24 H new ATOM 0 HG23 ILE A 95 -21.078 9.072 -0.175 1.00 61.24 H new ATOM 0 HD11 ILE A 95 -18.241 7.556 -2.995 1.00 0.13 H new ATOM 0 HD12 ILE A 95 -19.536 6.340 -2.898 1.00 0.13 H new ATOM 0 HD13 ILE A 95 -19.940 8.074 -2.888 1.00 0.13 H new ATOM 1600 N LEU A 96 -22.133 5.748 2.151 1.00 31.34 N ATOM 1601 CA LEU A 96 -23.419 5.677 2.838 1.00 64.04 C ATOM 1602 C LEU A 96 -23.226 5.607 4.349 1.00 22.11 C ATOM 1603 O LEU A 96 -24.182 5.736 5.114 1.00 34.54 O ATOM 1604 CB LEU A 96 -24.210 4.460 2.356 1.00 62.31 C ATOM 1605 CG LEU A 96 -25.695 4.439 2.718 1.00 73.41 C ATOM 1606 CD1 LEU A 96 -26.530 5.002 1.578 1.00 34.35 C ATOM 1607 CD2 LEU A 96 -26.141 3.024 3.060 1.00 42.22 C ATOM 0 H LEU A 96 -21.735 4.841 1.907 1.00 31.34 H new ATOM 0 HA LEU A 96 -23.979 6.582 2.604 1.00 64.04 H new ATOM 0 HB2 LEU A 96 -24.120 4.399 1.271 1.00 62.31 H new ATOM 0 HB3 LEU A 96 -23.744 3.564 2.765 1.00 62.31 H new ATOM 0 HG LEU A 96 -25.844 5.068 3.596 1.00 73.41 H new ATOM 0 HD11 LEU A 96 -27.584 4.979 1.854 1.00 34.35 H new ATOM 0 HD12 LEU A 96 -26.229 6.031 1.380 1.00 34.35 H new ATOM 0 HD13 LEU A 96 -26.376 4.400 0.682 1.00 34.35 H new ATOM 0 HD21 LEU A 96 -27.201 3.028 3.315 1.00 42.22 H new ATOM 0 HD22 LEU A 96 -25.977 2.373 2.201 1.00 42.22 H new ATOM 0 HD23 LEU A 96 -25.565 2.656 3.909 1.00 42.22 H new ATOM 1619 N LEU A 97 -21.983 5.404 4.773 1.00 53.31 N ATOM 1620 CA LEU A 97 -21.664 5.319 6.194 1.00 41.52 C ATOM 1621 C LEU A 97 -22.360 6.429 6.976 1.00 71.24 C ATOM 1622 O LEU A 97 -22.776 7.446 6.421 1.00 74.14 O ATOM 1623 CB LEU A 97 -20.151 5.405 6.403 1.00 41.14 C ATOM 1624 CG LEU A 97 -19.376 4.098 6.238 1.00 65.52 C ATOM 1625 CD1 LEU A 97 -17.878 4.351 6.317 1.00 12.20 C ATOM 1626 CD2 LEU A 97 -19.804 3.087 7.292 1.00 3.11 C ATOM 0 H LEU A 97 -21.180 5.295 4.153 1.00 53.31 H new ATOM 0 HA LEU A 97 -22.022 4.359 6.565 1.00 41.52 H new ATOM 0 HB2 LEU A 97 -19.748 6.134 5.700 1.00 41.14 H new ATOM 0 HB3 LEU A 97 -19.964 5.791 7.405 1.00 41.14 H new ATOM 0 HG LEU A 97 -19.603 3.686 5.255 1.00 65.52 H new ATOM 0 HD11 LEU A 97 -17.343 3.409 6.197 1.00 12.20 H new ATOM 0 HD12 LEU A 97 -17.583 5.039 5.525 1.00 12.20 H new ATOM 0 HD13 LEU A 97 -17.633 4.787 7.286 1.00 12.20 H new ATOM 0 HD21 LEU A 97 -19.242 2.163 7.159 1.00 3.11 H new ATOM 0 HD22 LEU A 97 -19.608 3.491 8.285 1.00 3.11 H new ATOM 0 HD23 LEU A 97 -20.869 2.882 7.188 1.00 3.11 H new ATOM 1638 N PRO A 98 -22.489 6.232 8.296 1.00 23.51 N ATOM 1639 CA PRO A 98 -23.132 7.206 9.183 1.00 25.41 C ATOM 1640 C PRO A 98 -22.299 8.472 9.354 1.00 31.32 C ATOM 1641 O PRO A 98 -22.839 9.576 9.430 1.00 61.34 O ATOM 1642 CB PRO A 98 -23.243 6.455 10.513 1.00 41.24 C ATOM 1643 CG PRO A 98 -22.152 5.442 10.468 1.00 23.03 C ATOM 1644 CD PRO A 98 -22.016 5.043 9.025 1.00 62.40 C ATOM 0 HA PRO A 98 -24.089 7.547 8.789 1.00 25.41 H new ATOM 0 HB2 PRO A 98 -23.122 7.130 11.360 1.00 41.24 H new ATOM 0 HB3 PRO A 98 -24.219 5.981 10.620 1.00 41.24 H new ATOM 0 HG2 PRO A 98 -21.218 5.857 10.848 1.00 23.03 H new ATOM 0 HG3 PRO A 98 -22.394 4.580 11.090 1.00 23.03 H new ATOM 0 HD2 PRO A 98 -20.984 4.800 8.771 1.00 62.40 H new ATOM 0 HD3 PRO A 98 -22.617 4.164 8.793 1.00 62.40 H new ATOM 1652 N TYR A 99 -20.983 8.305 9.414 1.00 23.23 N ATOM 1653 CA TYR A 99 -20.076 9.435 9.578 1.00 23.54 C ATOM 1654 C TYR A 99 -20.046 10.296 8.320 1.00 45.32 C ATOM 1655 O TYR A 99 -20.084 11.524 8.395 1.00 62.25 O ATOM 1656 CB TYR A 99 -18.666 8.940 9.905 1.00 4.24 C ATOM 1657 CG TYR A 99 -18.632 7.865 10.968 1.00 11.10 C ATOM 1658 CD1 TYR A 99 -18.761 8.187 12.314 1.00 62.23 C ATOM 1659 CD2 TYR A 99 -18.471 6.528 10.627 1.00 61.01 C ATOM 1660 CE1 TYR A 99 -18.730 7.208 13.288 1.00 11.12 C ATOM 1661 CE2 TYR A 99 -18.441 5.543 11.594 1.00 25.44 C ATOM 1662 CZ TYR A 99 -18.570 5.888 12.924 1.00 73.54 C ATOM 1663 OH TYR A 99 -18.539 4.909 13.891 1.00 71.14 O ATOM 0 H TYR A 99 -20.520 7.398 9.352 1.00 23.23 H new ATOM 0 HA TYR A 99 -20.441 10.045 10.405 1.00 23.54 H new ATOM 0 HB2 TYR A 99 -18.206 8.554 8.995 1.00 4.24 H new ATOM 0 HB3 TYR A 99 -18.061 9.785 10.235 1.00 4.24 H new ATOM 0 HD1 TYR A 99 -18.888 9.220 12.603 1.00 62.23 H new ATOM 0 HD2 TYR A 99 -18.367 6.254 9.587 1.00 61.01 H new ATOM 0 HE1 TYR A 99 -18.831 7.475 14.330 1.00 11.12 H new ATOM 0 HE2 TYR A 99 -18.317 4.508 11.311 1.00 25.44 H new ATOM 0 HH TYR A 99 -18.421 4.034 13.467 1.00 71.14 H new ATOM 1673 N GLU A 100 -19.977 9.642 7.164 1.00 12.43 N ATOM 1674 CA GLU A 100 -19.942 10.348 5.889 1.00 43.31 C ATOM 1675 C GLU A 100 -21.252 11.091 5.641 1.00 23.24 C ATOM 1676 O GLU A 100 -21.252 12.271 5.291 1.00 61.14 O ATOM 1677 CB GLU A 100 -19.675 9.368 4.745 1.00 23.41 C ATOM 1678 CG GLU A 100 -19.679 10.018 3.372 1.00 10.20 C ATOM 1679 CD GLU A 100 -18.351 10.664 3.028 1.00 0.45 C ATOM 1680 OE1 GLU A 100 -17.306 10.007 3.211 1.00 25.42 O ATOM 1681 OE2 GLU A 100 -18.358 11.829 2.576 1.00 22.44 O ATOM 0 H GLU A 100 -19.944 8.626 7.085 1.00 12.43 H new ATOM 0 HA GLU A 100 -19.133 11.077 5.930 1.00 43.31 H new ATOM 0 HB2 GLU A 100 -18.710 8.888 4.907 1.00 23.41 H new ATOM 0 HB3 GLU A 100 -20.430 8.582 4.768 1.00 23.41 H new ATOM 0 HG2 GLU A 100 -19.919 9.267 2.619 1.00 10.20 H new ATOM 0 HG3 GLU A 100 -20.466 10.771 3.333 1.00 10.20 H new ATOM 1688 N ARG A 101 -22.366 10.390 5.826 1.00 10.51 N ATOM 1689 CA ARG A 101 -23.683 10.982 5.621 1.00 22.34 C ATOM 1690 C ARG A 101 -23.928 12.119 6.609 1.00 64.01 C ATOM 1691 O ARG A 101 -24.559 13.121 6.273 1.00 13.44 O ATOM 1692 CB ARG A 101 -24.772 9.918 5.772 1.00 40.11 C ATOM 1693 CG ARG A 101 -24.952 9.428 7.199 1.00 25.04 C ATOM 1694 CD ARG A 101 -26.030 8.360 7.290 1.00 30.21 C ATOM 1695 NE ARG A 101 -26.646 8.315 8.614 1.00 64.53 N ATOM 1696 CZ ARG A 101 -27.470 9.250 9.073 1.00 25.44 C ATOM 1697 NH1 ARG A 101 -27.775 10.297 8.320 1.00 33.10 N ATOM 1698 NH2 ARG A 101 -27.990 9.138 10.289 1.00 61.21 N ATOM 0 H ARG A 101 -22.383 9.413 6.117 1.00 10.51 H new ATOM 0 HA ARG A 101 -23.718 11.388 4.610 1.00 22.34 H new ATOM 0 HB2 ARG A 101 -25.718 10.325 5.415 1.00 40.11 H new ATOM 0 HB3 ARG A 101 -24.529 9.069 5.133 1.00 40.11 H new ATOM 0 HG2 ARG A 101 -24.008 9.026 7.569 1.00 25.04 H new ATOM 0 HG3 ARG A 101 -25.215 10.268 7.843 1.00 25.04 H new ATOM 0 HD2 ARG A 101 -26.797 8.554 6.540 1.00 30.21 H new ATOM 0 HD3 ARG A 101 -25.597 7.387 7.059 1.00 30.21 H new ATOM 0 HE ARG A 101 -26.432 7.522 9.219 1.00 64.53 H new ATOM 0 HH11 ARG A 101 -27.377 10.386 7.385 1.00 33.10 H new ATOM 0 HH12 ARG A 101 -28.408 11.014 8.675 1.00 33.10 H new ATOM 0 HH21 ARG A 101 -27.757 8.334 10.871 1.00 61.21 H new ATOM 0 HH22 ARG A 101 -28.623 9.856 10.641 1.00 61.21 H new ATOM 1712 N HIS A 102 -23.424 11.956 7.828 1.00 23.01 N ATOM 1713 CA HIS A 102 -23.588 12.969 8.865 1.00 64.12 C ATOM 1714 C HIS A 102 -22.813 14.236 8.514 1.00 74.24 C ATOM 1715 O HIS A 102 -23.331 15.345 8.639 1.00 43.41 O ATOM 1716 CB HIS A 102 -23.117 12.428 10.215 1.00 32.42 C ATOM 1717 CG HIS A 102 -23.161 13.443 11.316 1.00 72.25 C ATOM 1718 ND1 HIS A 102 -24.337 13.885 11.885 1.00 25.33 N ATOM 1719 CD2 HIS A 102 -22.165 14.102 11.952 1.00 30.12 C ATOM 1720 CE1 HIS A 102 -24.062 14.773 12.824 1.00 44.04 C ATOM 1721 NE2 HIS A 102 -22.751 14.923 12.885 1.00 63.44 N ATOM 0 H HIS A 102 -22.899 11.133 8.122 1.00 23.01 H new ATOM 0 HA HIS A 102 -24.647 13.218 8.931 1.00 64.12 H new ATOM 0 HB2 HIS A 102 -23.738 11.576 10.492 1.00 32.42 H new ATOM 0 HB3 HIS A 102 -22.097 12.059 10.113 1.00 32.42 H new ATOM 0 HD2 HIS A 102 -21.107 14.001 11.762 1.00 30.12 H new ATOM 0 HE1 HIS A 102 -24.786 15.289 13.437 1.00 44.04 H new ATOM 0 HE2 HIS A 102 -22.254 15.547 13.521 1.00 63.44 H new ATOM 1729 N MET A 103 -21.571 14.062 8.074 1.00 32.24 N ATOM 1730 CA MET A 103 -20.726 15.192 7.705 1.00 73.41 C ATOM 1731 C MET A 103 -21.366 16.005 6.584 1.00 64.32 C ATOM 1732 O MET A 103 -21.389 17.235 6.633 1.00 70.14 O ATOM 1733 CB MET A 103 -19.344 14.702 7.271 1.00 64.52 C ATOM 1734 CG MET A 103 -18.241 15.037 8.262 1.00 31.11 C ATOM 1735 SD MET A 103 -18.498 14.269 9.873 1.00 71.30 S ATOM 1736 CE MET A 103 -17.541 15.358 10.924 1.00 0.12 C ATOM 0 H MET A 103 -21.128 13.150 7.964 1.00 32.24 H new ATOM 0 HA MET A 103 -20.617 15.834 8.579 1.00 73.41 H new ATOM 0 HB2 MET A 103 -19.378 13.622 7.130 1.00 64.52 H new ATOM 0 HB3 MET A 103 -19.099 15.142 6.304 1.00 64.52 H new ATOM 0 HG2 MET A 103 -17.283 14.711 7.857 1.00 31.11 H new ATOM 0 HG3 MET A 103 -18.184 16.119 8.384 1.00 31.11 H new ATOM 0 HE1 MET A 103 -17.601 15.013 11.956 1.00 0.12 H new ATOM 0 HE2 MET A 103 -16.500 15.354 10.600 1.00 0.12 H new ATOM 0 HE3 MET A 103 -17.938 16.371 10.856 1.00 0.12 H new ATOM 1746 N ILE A 104 -21.882 15.310 5.576 1.00 51.13 N ATOM 1747 CA ILE A 104 -22.522 15.969 4.444 1.00 61.34 C ATOM 1748 C ILE A 104 -23.928 16.437 4.803 1.00 60.23 C ATOM 1749 O ILE A 104 -24.480 17.328 4.158 1.00 11.41 O ATOM 1750 CB ILE A 104 -22.600 15.036 3.220 1.00 31.05 C ATOM 1751 CG1 ILE A 104 -23.560 13.877 3.496 1.00 32.02 C ATOM 1752 CG2 ILE A 104 -21.217 14.512 2.865 1.00 61.13 C ATOM 1753 CD1 ILE A 104 -23.699 12.918 2.335 1.00 64.32 C ATOM 0 H ILE A 104 -21.870 14.292 5.520 1.00 51.13 H new ATOM 0 HA ILE A 104 -21.907 16.833 4.193 1.00 61.34 H new ATOM 0 HB ILE A 104 -22.981 15.604 2.371 1.00 31.05 H new ATOM 0 HG12 ILE A 104 -23.212 13.328 4.371 1.00 32.02 H new ATOM 0 HG13 ILE A 104 -24.542 14.280 3.743 1.00 32.02 H new ATOM 0 HG21 ILE A 104 -21.288 13.854 1.999 1.00 61.13 H new ATOM 0 HG22 ILE A 104 -20.559 15.349 2.632 1.00 61.13 H new ATOM 0 HG23 ILE A 104 -20.811 13.956 3.710 1.00 61.13 H new ATOM 0 HD11 ILE A 104 -24.395 12.122 2.602 1.00 64.32 H new ATOM 0 HD12 ILE A 104 -24.077 13.453 1.464 1.00 64.32 H new ATOM 0 HD13 ILE A 104 -22.726 12.486 2.101 1.00 64.32 H new ATOM 1765 N SER A 105 -24.502 15.830 5.837 1.00 4.31 N ATOM 1766 CA SER A 105 -25.845 16.183 6.282 1.00 43.44 C ATOM 1767 C SER A 105 -25.896 17.632 6.758 1.00 20.22 C ATOM 1768 O SER A 105 -26.914 18.308 6.614 1.00 73.42 O ATOM 1769 CB SER A 105 -26.295 15.248 7.406 1.00 51.53 C ATOM 1770 OG SER A 105 -27.196 14.267 6.923 1.00 41.04 O ATOM 0 H SER A 105 -24.058 15.091 6.382 1.00 4.31 H new ATOM 0 HA SER A 105 -26.523 16.073 5.435 1.00 43.44 H new ATOM 0 HB2 SER A 105 -25.426 14.762 7.849 1.00 51.53 H new ATOM 0 HB3 SER A 105 -26.773 15.827 8.196 1.00 51.53 H new ATOM 0 HG SER A 105 -26.691 13.525 6.529 1.00 41.04 H new ATOM 1776 N GLN A 106 -24.790 18.101 7.327 1.00 62.53 N ATOM 1777 CA GLN A 106 -24.708 19.468 7.826 1.00 54.24 C ATOM 1778 C GLN A 106 -25.052 20.469 6.728 1.00 51.53 C ATOM 1779 O GLN A 106 -25.712 21.477 6.979 1.00 50.12 O ATOM 1780 CB GLN A 106 -23.308 19.752 8.371 1.00 43.11 C ATOM 1781 CG GLN A 106 -23.052 19.140 9.739 1.00 41.41 C ATOM 1782 CD GLN A 106 -22.419 20.120 10.707 1.00 4.10 C ATOM 1783 OE1 GLN A 106 -22.943 20.363 11.794 1.00 11.13 O ATOM 1784 NE2 GLN A 106 -21.284 20.689 10.317 1.00 51.04 N ATOM 0 H GLN A 106 -23.938 17.554 7.454 1.00 62.53 H new ATOM 0 HA GLN A 106 -25.433 19.577 8.633 1.00 54.24 H new ATOM 0 HB2 GLN A 106 -22.569 19.370 7.667 1.00 43.11 H new ATOM 0 HB3 GLN A 106 -23.163 20.831 8.432 1.00 43.11 H new ATOM 0 HG2 GLN A 106 -23.994 18.782 10.155 1.00 41.41 H new ATOM 0 HG3 GLN A 106 -22.401 18.272 9.629 1.00 41.41 H new ATOM 0 HE21 GLN A 106 -20.884 20.459 9.407 1.00 51.04 H new ATOM 0 HE22 GLN A 106 -20.812 21.356 10.927 1.00 51.04 H new ATOM 1793 N GLU A 107 -24.599 20.184 5.511 1.00 54.44 N ATOM 1794 CA GLU A 107 -24.859 21.062 4.375 1.00 23.40 C ATOM 1795 C GLU A 107 -25.788 20.389 3.369 1.00 64.44 C ATOM 1796 O GLU A 107 -25.800 20.737 2.189 1.00 45.12 O ATOM 1797 CB GLU A 107 -23.546 21.451 3.693 1.00 63.13 C ATOM 1798 CG GLU A 107 -23.552 22.857 3.118 1.00 11.50 C ATOM 1799 CD GLU A 107 -22.184 23.296 2.633 1.00 21.21 C ATOM 1800 OE1 GLU A 107 -21.211 22.542 2.840 1.00 24.44 O ATOM 1801 OE2 GLU A 107 -22.087 24.394 2.046 1.00 70.33 O ATOM 0 H GLU A 107 -24.051 19.354 5.286 1.00 54.44 H new ATOM 0 HA GLU A 107 -25.347 21.962 4.748 1.00 23.40 H new ATOM 0 HB2 GLU A 107 -22.733 21.366 4.414 1.00 63.13 H new ATOM 0 HB3 GLU A 107 -23.338 20.741 2.892 1.00 63.13 H new ATOM 0 HG2 GLU A 107 -24.259 22.903 2.290 1.00 11.50 H new ATOM 0 HG3 GLU A 107 -23.905 23.554 3.878 1.00 11.50 H new ATOM 1808 N GLY A 108 -26.565 19.421 3.845 1.00 72.32 N ATOM 1809 CA GLY A 108 -27.486 18.713 2.975 1.00 51.25 C ATOM 1810 C GLY A 108 -28.507 17.903 3.747 1.00 34.54 C ATOM 1811 O GLY A 108 -28.766 16.744 3.420 1.00 31.14 O ATOM 0 H GLY A 108 -26.573 19.114 4.818 1.00 72.32 H new ATOM 0 HA2 GLY A 108 -28.003 19.430 2.338 1.00 51.25 H new ATOM 0 HA3 GLY A 108 -26.923 18.050 2.318 1.00 51.25 H new ATOM 1815 N ILE A 109 -29.088 18.511 4.776 1.00 1.30 N ATOM 1816 CA ILE A 109 -30.086 17.838 5.598 1.00 62.34 C ATOM 1817 C ILE A 109 -31.265 17.367 4.754 1.00 74.42 C ATOM 1818 O ILE A 109 -31.969 16.425 5.121 1.00 41.15 O ATOM 1819 CB ILE A 109 -30.606 18.757 6.719 1.00 64.04 C ATOM 1820 CG1 ILE A 109 -31.064 20.097 6.138 1.00 22.52 C ATOM 1821 CG2 ILE A 109 -29.528 18.970 7.771 1.00 1.40 C ATOM 1822 CD1 ILE A 109 -31.892 20.920 7.100 1.00 44.13 C ATOM 0 H ILE A 109 -28.884 19.469 5.060 1.00 1.30 H new ATOM 0 HA ILE A 109 -29.595 16.975 6.047 1.00 62.34 H new ATOM 0 HB ILE A 109 -31.461 18.278 7.195 1.00 64.04 H new ATOM 0 HG12 ILE A 109 -30.188 20.673 5.840 1.00 22.52 H new ATOM 0 HG13 ILE A 109 -31.647 19.913 5.235 1.00 22.52 H new ATOM 0 HG21 ILE A 109 -29.910 19.622 8.557 1.00 1.40 H new ATOM 0 HG22 ILE A 109 -29.245 18.009 8.202 1.00 1.40 H new ATOM 0 HG23 ILE A 109 -28.655 19.432 7.309 1.00 1.40 H new ATOM 0 HD11 ILE A 109 -32.182 21.856 6.622 1.00 44.13 H new ATOM 0 HD12 ILE A 109 -32.786 20.363 7.379 1.00 44.13 H new ATOM 0 HD13 ILE A 109 -31.305 21.135 7.993 1.00 44.13 H new ATOM 1834 N LYS A 110 -31.476 18.027 3.620 1.00 23.30 N ATOM 1835 CA LYS A 110 -32.568 17.675 2.721 1.00 60.24 C ATOM 1836 C LYS A 110 -32.464 16.217 2.282 1.00 10.45 C ATOM 1837 O LYS A 110 -33.459 15.603 1.899 1.00 10.25 O ATOM 1838 CB LYS A 110 -32.560 18.589 1.493 1.00 12.14 C ATOM 1839 CG LYS A 110 -31.508 18.216 0.464 1.00 45.32 C ATOM 1840 CD LYS A 110 -30.103 18.473 0.984 1.00 52.31 C ATOM 1841 CE LYS A 110 -29.140 18.795 -0.148 1.00 64.53 C ATOM 1842 NZ LYS A 110 -28.866 17.603 -0.999 1.00 1.05 N ATOM 0 H LYS A 110 -30.904 18.809 3.302 1.00 23.30 H new ATOM 0 HA LYS A 110 -33.506 17.808 3.260 1.00 60.24 H new ATOM 0 HB2 LYS A 110 -33.543 18.560 1.022 1.00 12.14 H new ATOM 0 HB3 LYS A 110 -32.392 19.616 1.816 1.00 12.14 H new ATOM 0 HG2 LYS A 110 -31.613 17.163 0.201 1.00 45.32 H new ATOM 0 HG3 LYS A 110 -31.670 18.790 -0.448 1.00 45.32 H new ATOM 0 HD2 LYS A 110 -30.122 19.300 1.693 1.00 52.31 H new ATOM 0 HD3 LYS A 110 -29.749 17.596 1.526 1.00 52.31 H new ATOM 0 HE2 LYS A 110 -29.556 19.593 -0.763 1.00 64.53 H new ATOM 0 HE3 LYS A 110 -28.204 19.168 0.267 1.00 64.53 H new ATOM 0 HZ1 LYS A 110 -28.206 17.863 -1.759 1.00 1.05 H new ATOM 0 HZ2 LYS A 110 -28.445 16.851 -0.417 1.00 1.05 H new ATOM 0 HZ3 LYS A 110 -29.756 17.262 -1.415 1.00 1.05 H new ATOM 1856 N GLU A 111 -31.254 15.671 2.343 1.00 22.32 N ATOM 1857 CA GLU A 111 -31.022 14.285 1.953 1.00 42.01 C ATOM 1858 C GLU A 111 -31.530 13.325 3.025 1.00 4.54 C ATOM 1859 O GLU A 111 -31.882 12.182 2.736 1.00 73.44 O ATOM 1860 CB GLU A 111 -29.532 14.045 1.703 1.00 45.04 C ATOM 1861 CG GLU A 111 -29.254 13.046 0.592 1.00 31.53 C ATOM 1862 CD GLU A 111 -28.398 11.882 1.055 1.00 54.31 C ATOM 1863 OE1 GLU A 111 -27.158 12.021 1.055 1.00 5.15 O ATOM 1864 OE2 GLU A 111 -28.971 10.833 1.417 1.00 63.33 O ATOM 0 H GLU A 111 -30.420 16.166 2.658 1.00 22.32 H new ATOM 0 HA GLU A 111 -31.573 14.097 1.031 1.00 42.01 H new ATOM 0 HB2 GLU A 111 -29.057 14.994 1.454 1.00 45.04 H new ATOM 0 HB3 GLU A 111 -29.070 13.689 2.624 1.00 45.04 H new ATOM 0 HG2 GLU A 111 -30.200 12.666 0.205 1.00 31.53 H new ATOM 0 HG3 GLU A 111 -28.754 13.555 -0.232 1.00 31.53 H new ATOM 1871 N THR A 112 -31.564 13.799 4.267 1.00 4.31 N ATOM 1872 CA THR A 112 -32.026 12.985 5.384 1.00 61.44 C ATOM 1873 C THR A 112 -33.518 12.693 5.271 1.00 63.34 C ATOM 1874 O THR A 112 -33.946 11.546 5.401 1.00 11.44 O ATOM 1875 CB THR A 112 -31.750 13.673 6.734 1.00 41.24 C ATOM 1876 OG1 THR A 112 -30.451 14.276 6.719 1.00 12.25 O ATOM 1877 CG2 THR A 112 -31.839 12.675 7.878 1.00 2.22 C ATOM 0 H THR A 112 -31.277 14.743 4.524 1.00 4.31 H new ATOM 0 HA THR A 112 -31.471 12.048 5.343 1.00 61.44 H new ATOM 0 HB THR A 112 -32.506 14.443 6.886 1.00 41.24 H new ATOM 0 HG1 THR A 112 -30.283 14.713 7.580 1.00 12.25 H new ATOM 0 HG21 THR A 112 -31.640 13.184 8.821 1.00 2.22 H new ATOM 0 HG22 THR A 112 -32.838 12.239 7.904 1.00 2.22 H new ATOM 0 HG23 THR A 112 -31.103 11.885 7.730 1.00 2.22 H new ATOM 1885 N GLN A 113 -34.303 13.736 5.026 1.00 14.54 N ATOM 1886 CA GLN A 113 -35.748 13.590 4.896 1.00 53.41 C ATOM 1887 C GLN A 113 -36.099 12.657 3.742 1.00 30.31 C ATOM 1888 O GLN A 113 -37.185 12.079 3.707 1.00 62.42 O ATOM 1889 CB GLN A 113 -36.403 14.956 4.679 1.00 23.04 C ATOM 1890 CG GLN A 113 -37.002 15.551 5.944 1.00 63.24 C ATOM 1891 CD GLN A 113 -38.123 14.704 6.513 1.00 63.32 C ATOM 1892 OE1 GLN A 113 -37.927 13.959 7.474 1.00 51.20 O ATOM 1893 NE2 GLN A 113 -39.307 14.813 5.921 1.00 25.23 N ATOM 0 H GLN A 113 -33.963 14.691 4.913 1.00 14.54 H new ATOM 0 HA GLN A 113 -36.128 13.155 5.820 1.00 53.41 H new ATOM 0 HB2 GLN A 113 -35.660 15.646 4.279 1.00 23.04 H new ATOM 0 HB3 GLN A 113 -37.186 14.859 3.927 1.00 23.04 H new ATOM 0 HG2 GLN A 113 -36.219 15.663 6.694 1.00 63.24 H new ATOM 0 HG3 GLN A 113 -37.381 16.550 5.727 1.00 63.24 H new ATOM 0 HE21 GLN A 113 -39.424 15.443 5.127 1.00 25.23 H new ATOM 0 HE22 GLN A 113 -40.099 14.267 6.260 1.00 25.23 H new ATOM 1902 N ALA A 114 -35.173 12.515 2.800 1.00 64.41 N ATOM 1903 CA ALA A 114 -35.383 11.650 1.646 1.00 75.15 C ATOM 1904 C ALA A 114 -35.602 10.203 2.076 1.00 54.41 C ATOM 1905 O ALA A 114 -36.325 9.452 1.421 1.00 41.14 O ATOM 1906 CB ALA A 114 -34.202 11.746 0.692 1.00 71.35 C ATOM 0 H ALA A 114 -34.269 12.988 2.813 1.00 64.41 H new ATOM 0 HA ALA A 114 -36.281 11.988 1.130 1.00 75.15 H new ATOM 0 HB1 ALA A 114 -34.373 11.095 -0.165 1.00 71.35 H new ATOM 0 HB2 ALA A 114 -34.093 12.775 0.350 1.00 71.35 H new ATOM 0 HB3 ALA A 114 -33.292 11.437 1.207 1.00 71.35 H new ATOM 1912 N LYS A 115 -34.973 9.818 3.181 1.00 14.21 N ATOM 1913 CA LYS A 115 -35.099 8.462 3.700 1.00 32.53 C ATOM 1914 C LYS A 115 -34.603 7.441 2.681 1.00 21.33 C ATOM 1915 O LYS A 115 -34.290 7.788 1.543 1.00 44.44 O ATOM 1916 CB LYS A 115 -36.556 8.166 4.066 1.00 43.42 C ATOM 1917 CG LYS A 115 -36.710 7.337 5.329 1.00 3.21 C ATOM 1918 CD LYS A 115 -38.152 7.312 5.807 1.00 22.11 C ATOM 1919 CE LYS A 115 -38.340 8.160 7.055 1.00 11.15 C ATOM 1920 NZ LYS A 115 -39.675 7.941 7.679 1.00 24.20 N ATOM 0 H LYS A 115 -34.370 10.427 3.735 1.00 14.21 H new ATOM 0 HA LYS A 115 -34.483 8.385 4.596 1.00 32.53 H new ATOM 0 HB2 LYS A 115 -37.088 9.109 4.193 1.00 43.42 H new ATOM 0 HB3 LYS A 115 -37.031 7.641 3.237 1.00 43.42 H new ATOM 0 HG2 LYS A 115 -36.371 6.319 5.140 1.00 3.21 H new ATOM 0 HG3 LYS A 115 -36.073 7.745 6.113 1.00 3.21 H new ATOM 0 HD2 LYS A 115 -38.805 7.678 5.015 1.00 22.11 H new ATOM 0 HD3 LYS A 115 -38.449 6.284 6.016 1.00 22.11 H new ATOM 0 HE2 LYS A 115 -37.558 7.922 7.777 1.00 11.15 H new ATOM 0 HE3 LYS A 115 -38.227 9.213 6.799 1.00 11.15 H new ATOM 0 HZ1 LYS A 115 -39.764 8.537 8.527 1.00 24.20 H new ATOM 0 HZ2 LYS A 115 -40.421 8.192 6.999 1.00 24.20 H new ATOM 0 HZ3 LYS A 115 -39.773 6.941 7.947 1.00 24.20 H new ATOM 1934 N ARG A 116 -34.535 6.180 3.098 1.00 54.54 N ATOM 1935 CA ARG A 116 -34.078 5.110 2.221 1.00 65.44 C ATOM 1936 C ARG A 116 -35.249 4.487 1.466 1.00 25.43 C ATOM 1937 O ARG A 116 -35.129 4.141 0.291 1.00 41.44 O ATOM 1938 CB ARG A 116 -33.349 4.035 3.030 1.00 42.22 C ATOM 1939 CG ARG A 116 -34.246 3.298 4.011 1.00 40.32 C ATOM 1940 CD ARG A 116 -33.680 3.339 5.422 1.00 73.12 C ATOM 1941 NE ARG A 116 -34.176 2.237 6.242 1.00 14.32 N ATOM 1942 CZ ARG A 116 -33.833 0.968 6.054 1.00 71.03 C ATOM 1943 NH1 ARG A 116 -32.996 0.642 5.078 1.00 33.14 N ATOM 1944 NH2 ARG A 116 -34.327 0.022 6.842 1.00 23.32 N ATOM 0 H ARG A 116 -34.791 5.876 4.037 1.00 54.54 H new ATOM 0 HA ARG A 116 -33.388 5.540 1.495 1.00 65.44 H new ATOM 0 HB2 ARG A 116 -32.906 3.314 2.343 1.00 42.22 H new ATOM 0 HB3 ARG A 116 -32.529 4.499 3.578 1.00 42.22 H new ATOM 0 HG2 ARG A 116 -35.240 3.745 4.003 1.00 40.32 H new ATOM 0 HG3 ARG A 116 -34.360 2.262 3.693 1.00 40.32 H new ATOM 0 HD2 ARG A 116 -32.592 3.297 5.378 1.00 73.12 H new ATOM 0 HD3 ARG A 116 -33.943 4.287 5.891 1.00 73.12 H new ATOM 0 HE ARG A 116 -34.822 2.454 7.001 1.00 14.32 H new ATOM 0 HH11 ARG A 116 -32.614 1.367 4.470 1.00 33.14 H new ATOM 0 HH12 ARG A 116 -32.734 -0.333 4.935 1.00 33.14 H new ATOM 0 HH21 ARG A 116 -34.971 0.269 7.593 1.00 23.32 H new ATOM 0 HH22 ARG A 116 -34.063 -0.952 6.697 1.00 23.32 H new TER 1958 ARG A 116