USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 811 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 ASN : amide:sc= -1.21 K(o=-1.3,f=-10!) USER MOD Set 1.2: A 54 GLN : amide:sc= -0.0839 X(o=-1.3,f=-1.2) USER MOD Single : A 1 GLY N :NH3+ -108:sc= 0.0486 (180deg=0) USER MOD Single : A 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= -0.0166 X(o=-0.017,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.0559 K(o=-0.056,f=-0.64) USER MOD Single : A 7 TYR OH : rot 60:sc= -2.23 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= 0.714 (180deg=0.257) USER MOD Single : A 15 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-4.4!) USER MOD Single : A 17 THR OG1 : rot 57:sc= 1.23 USER MOD Single : A 24 GLN : amide:sc= -0.0322 K(o=-0.032,f=-1.6) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot 170:sc= 1.77 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.481 K(o=-0.48,f=-0.98) USER MOD Single : A 62 SER OG : rot 95:sc= 1.12 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HD1:sc= 0 X(o=0,f=-0.054) USER MOD Single : A 89 GLN : amide:sc= -0.843 X(o=-0.84,f=-0.37) USER MOD Single : A 92 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.0372 K(o=-0.037,f=-1.3) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -0.254 0.377 -4.476 1.00 52.24 N ATOM 2 CA GLY A 1 0.677 0.189 -3.379 1.00 72.13 C ATOM 3 C GLY A 1 2.112 0.068 -3.851 1.00 62.43 C ATOM 4 O GLY A 1 2.367 -0.329 -4.988 1.00 4.25 O ATOM 0 H1 GLY A 1 -0.605 1.356 -4.469 1.00 52.24 H new ATOM 0 H2 GLY A 1 0.229 0.188 -5.377 1.00 52.24 H new ATOM 0 H3 GLY A 1 -1.054 -0.278 -4.368 1.00 52.24 H new ATOM 0 HA2 GLY A 1 0.594 1.028 -2.689 1.00 72.13 H new ATOM 0 HA3 GLY A 1 0.403 -0.708 -2.824 1.00 72.13 H new ATOM 8 N ASN A 2 3.052 0.411 -2.977 1.00 1.43 N ATOM 9 CA ASN A 2 4.470 0.341 -3.311 1.00 51.14 C ATOM 10 C ASN A 2 5.029 -1.048 -3.019 1.00 45.24 C ATOM 11 O ASN A 2 4.645 -1.690 -2.042 1.00 64.21 O ATOM 12 CB ASN A 2 5.253 1.394 -2.526 1.00 5.54 C ATOM 13 CG ASN A 2 4.807 2.807 -2.848 1.00 53.32 C ATOM 14 OD1 ASN A 2 4.156 3.465 -2.036 1.00 51.11 O ATOM 15 ND2 ASN A 2 5.155 3.280 -4.039 1.00 51.41 N ATOM 0 H ASN A 2 2.858 0.740 -2.031 1.00 1.43 H new ATOM 0 HA ASN A 2 4.577 0.540 -4.377 1.00 51.14 H new ATOM 0 HB2 ASN A 2 5.131 1.212 -1.458 1.00 5.54 H new ATOM 0 HB3 ASN A 2 6.315 1.292 -2.747 1.00 5.54 H new ATOM 0 HD21 ASN A 2 4.882 4.224 -4.312 1.00 51.41 H new ATOM 0 HD22 ASN A 2 5.695 2.699 -4.680 1.00 51.41 H new ATOM 22 N SER A 3 5.940 -1.505 -3.874 1.00 13.35 N ATOM 23 CA SER A 3 6.550 -2.819 -3.709 1.00 45.44 C ATOM 24 C SER A 3 8.068 -2.733 -3.847 1.00 34.53 C ATOM 25 O SER A 3 8.722 -3.704 -4.226 1.00 72.23 O ATOM 26 CB SER A 3 5.988 -3.798 -4.741 1.00 32.40 C ATOM 27 OG SER A 3 4.808 -3.289 -5.338 1.00 0.31 O ATOM 0 H SER A 3 6.271 -0.985 -4.687 1.00 13.35 H new ATOM 0 HA SER A 3 6.312 -3.181 -2.709 1.00 45.44 H new ATOM 0 HB2 SER A 3 6.736 -3.988 -5.511 1.00 32.40 H new ATOM 0 HB3 SER A 3 5.774 -4.753 -4.262 1.00 32.40 H new ATOM 0 HG SER A 3 4.470 -3.933 -5.995 1.00 0.31 H new ATOM 33 N GLN A 4 8.619 -1.565 -3.535 1.00 71.00 N ATOM 34 CA GLN A 4 10.059 -1.352 -3.624 1.00 73.32 C ATOM 35 C GLN A 4 10.755 -1.800 -2.343 1.00 44.34 C ATOM 36 O GLN A 4 10.565 -1.205 -1.282 1.00 23.20 O ATOM 37 CB GLN A 4 10.362 0.122 -3.895 1.00 52.43 C ATOM 38 CG GLN A 4 9.731 1.069 -2.887 1.00 30.45 C ATOM 39 CD GLN A 4 10.761 1.859 -2.104 1.00 23.41 C ATOM 40 OE1 GLN A 4 11.521 2.644 -2.672 1.00 14.22 O ATOM 41 NE2 GLN A 4 10.793 1.654 -0.792 1.00 50.42 N ATOM 0 H GLN A 4 8.091 -0.752 -3.218 1.00 71.00 H new ATOM 0 HA GLN A 4 10.439 -1.951 -4.451 1.00 73.32 H new ATOM 0 HB2 GLN A 4 11.442 0.269 -3.892 1.00 52.43 H new ATOM 0 HB3 GLN A 4 10.008 0.379 -4.893 1.00 52.43 H new ATOM 0 HG2 GLN A 4 9.069 1.760 -3.409 1.00 30.45 H new ATOM 0 HG3 GLN A 4 9.114 0.497 -2.194 1.00 30.45 H new ATOM 0 HE21 GLN A 4 10.144 0.994 -0.363 1.00 50.42 H new ATOM 0 HE22 GLN A 4 11.466 2.157 -0.214 1.00 50.42 H new ATOM 50 N ILE A 5 11.562 -2.850 -2.451 1.00 33.35 N ATOM 51 CA ILE A 5 12.287 -3.376 -1.301 1.00 30.42 C ATOM 52 C ILE A 5 13.633 -3.957 -1.719 1.00 24.31 C ATOM 53 O ILE A 5 13.749 -4.593 -2.767 1.00 50.24 O ATOM 54 CB ILE A 5 11.475 -4.464 -0.573 1.00 2.14 C ATOM 55 CG1 ILE A 5 10.224 -3.856 0.065 1.00 71.23 C ATOM 56 CG2 ILE A 5 12.333 -5.149 0.480 1.00 21.25 C ATOM 57 CD1 ILE A 5 9.014 -3.873 -0.843 1.00 63.14 C ATOM 0 H ILE A 5 11.730 -3.353 -3.322 1.00 33.35 H new ATOM 0 HA ILE A 5 12.450 -2.540 -0.621 1.00 30.42 H new ATOM 0 HB ILE A 5 11.162 -5.212 -1.302 1.00 2.14 H new ATOM 0 HG12 ILE A 5 9.990 -4.402 0.979 1.00 71.23 H new ATOM 0 HG13 ILE A 5 10.437 -2.827 0.354 1.00 71.23 H new ATOM 0 HG21 ILE A 5 11.746 -5.915 0.986 1.00 21.25 H new ATOM 0 HG22 ILE A 5 13.197 -5.611 0.002 1.00 21.25 H new ATOM 0 HG23 ILE A 5 12.673 -4.412 1.208 1.00 21.25 H new ATOM 0 HD11 ILE A 5 8.165 -3.427 -0.326 1.00 63.14 H new ATOM 0 HD12 ILE A 5 9.229 -3.302 -1.747 1.00 63.14 H new ATOM 0 HD13 ILE A 5 8.775 -4.902 -1.112 1.00 63.14 H new ATOM 69 N HIS A 6 14.650 -3.737 -0.891 1.00 52.52 N ATOM 70 CA HIS A 6 15.989 -4.240 -1.174 1.00 22.33 C ATOM 71 C HIS A 6 16.661 -4.741 0.101 1.00 5.12 C ATOM 72 O HIS A 6 16.411 -4.225 1.191 1.00 41.34 O ATOM 73 CB HIS A 6 16.842 -3.148 -1.819 1.00 4.22 C ATOM 74 CG HIS A 6 16.864 -1.868 -1.042 1.00 3.35 C ATOM 75 ND1 HIS A 6 17.578 -1.709 0.128 1.00 72.43 N ATOM 76 CD2 HIS A 6 16.256 -0.681 -1.273 1.00 41.21 C ATOM 77 CE1 HIS A 6 17.406 -0.481 0.583 1.00 62.12 C ATOM 78 NE2 HIS A 6 16.609 0.164 -0.249 1.00 74.14 N ATOM 0 H HIS A 6 14.572 -3.214 -0.019 1.00 52.52 H new ATOM 0 HA HIS A 6 15.897 -5.075 -1.868 1.00 22.33 H new ATOM 0 HB2 HIS A 6 17.863 -3.514 -1.930 1.00 4.22 H new ATOM 0 HB3 HIS A 6 16.464 -2.948 -2.822 1.00 4.22 H new ATOM 0 HD2 HIS A 6 15.613 -0.443 -2.107 1.00 41.21 H new ATOM 0 HE1 HIS A 6 17.843 -0.074 1.483 1.00 62.12 H new ATOM 0 HE2 HIS A 6 16.305 1.132 -0.148 1.00 74.14 H new ATOM 86 N TYR A 7 17.515 -5.749 -0.042 1.00 54.15 N ATOM 87 CA TYR A 7 18.220 -6.321 1.098 1.00 62.42 C ATOM 88 C TYR A 7 19.730 -6.173 0.935 1.00 12.40 C ATOM 89 O TYR A 7 20.219 -5.835 -0.143 1.00 10.21 O ATOM 90 CB TYR A 7 17.857 -7.798 1.260 1.00 33.21 C ATOM 91 CG TYR A 7 16.374 -8.072 1.153 1.00 74.14 C ATOM 92 CD1 TYR A 7 15.446 -7.230 1.754 1.00 61.35 C ATOM 93 CD2 TYR A 7 15.900 -9.173 0.449 1.00 51.32 C ATOM 94 CE1 TYR A 7 14.090 -7.477 1.658 1.00 23.34 C ATOM 95 CE2 TYR A 7 14.546 -9.427 0.347 1.00 13.32 C ATOM 96 CZ TYR A 7 13.645 -8.576 0.954 1.00 20.40 C ATOM 97 OH TYR A 7 12.295 -8.825 0.856 1.00 62.13 O ATOM 0 H TYR A 7 17.735 -6.186 -0.937 1.00 54.15 H new ATOM 0 HA TYR A 7 17.914 -5.778 1.992 1.00 62.42 H new ATOM 0 HB2 TYR A 7 18.381 -8.378 0.500 1.00 33.21 H new ATOM 0 HB3 TYR A 7 18.213 -8.147 2.229 1.00 33.21 H new ATOM 0 HD1 TYR A 7 15.791 -6.368 2.306 1.00 61.35 H new ATOM 0 HD2 TYR A 7 16.603 -9.841 -0.026 1.00 51.32 H new ATOM 0 HE1 TYR A 7 13.382 -6.813 2.132 1.00 23.34 H new ATOM 0 HE2 TYR A 7 14.195 -10.287 -0.205 1.00 13.32 H new ATOM 0 HH TYR A 7 11.853 -8.067 0.420 1.00 62.13 H new ATOM 107 N SER A 8 20.463 -6.428 2.014 1.00 32.10 N ATOM 108 CA SER A 8 21.917 -6.320 1.994 1.00 52.14 C ATOM 109 C SER A 8 22.565 -7.627 2.438 1.00 22.42 C ATOM 110 O SER A 8 22.287 -8.132 3.527 1.00 42.15 O ATOM 111 CB SER A 8 22.377 -5.176 2.899 1.00 40.42 C ATOM 112 OG SER A 8 21.420 -4.131 2.926 1.00 2.32 O ATOM 0 H SER A 8 20.074 -6.711 2.913 1.00 32.10 H new ATOM 0 HA SER A 8 22.227 -6.111 0.970 1.00 52.14 H new ATOM 0 HB2 SER A 8 22.540 -5.551 3.910 1.00 40.42 H new ATOM 0 HB3 SER A 8 23.332 -4.789 2.545 1.00 40.42 H new ATOM 0 HG SER A 8 21.737 -3.413 3.513 1.00 2.32 H new ATOM 118 N ILE A 9 23.430 -8.170 1.588 1.00 23.43 N ATOM 119 CA ILE A 9 24.119 -9.418 1.893 1.00 23.13 C ATOM 120 C ILE A 9 25.558 -9.389 1.388 1.00 73.41 C ATOM 121 O ILE A 9 25.828 -9.085 0.226 1.00 52.10 O ATOM 122 CB ILE A 9 23.394 -10.628 1.275 1.00 52.43 C ATOM 123 CG1 ILE A 9 24.244 -11.891 1.423 1.00 44.31 C ATOM 124 CG2 ILE A 9 23.078 -10.364 -0.190 1.00 3.30 C ATOM 125 CD1 ILE A 9 23.541 -13.150 0.967 1.00 12.14 C ATOM 0 H ILE A 9 23.670 -7.766 0.683 1.00 23.43 H new ATOM 0 HA ILE A 9 24.119 -9.521 2.978 1.00 23.13 H new ATOM 0 HB ILE A 9 22.455 -10.781 1.808 1.00 52.43 H new ATOM 0 HG12 ILE A 9 25.163 -11.770 0.849 1.00 44.31 H new ATOM 0 HG13 ILE A 9 24.533 -12.004 2.468 1.00 44.31 H new ATOM 0 HG21 ILE A 9 22.566 -11.228 -0.613 1.00 3.30 H new ATOM 0 HG22 ILE A 9 22.437 -9.486 -0.271 1.00 3.30 H new ATOM 0 HG23 ILE A 9 24.005 -10.188 -0.736 1.00 3.30 H new ATOM 0 HD11 ILE A 9 24.203 -14.005 1.101 1.00 12.14 H new ATOM 0 HD12 ILE A 9 22.636 -13.296 1.557 1.00 12.14 H new ATOM 0 HD13 ILE A 9 23.276 -13.058 -0.086 1.00 12.14 H new ATOM 137 N PRO A 10 26.505 -9.716 2.280 1.00 52.21 N ATOM 138 CA PRO A 10 27.932 -9.737 1.947 1.00 62.42 C ATOM 139 C PRO A 10 28.290 -10.880 1.002 1.00 12.13 C ATOM 140 O PRO A 10 27.840 -12.011 1.184 1.00 51.41 O ATOM 141 CB PRO A 10 28.610 -9.934 3.305 1.00 65.21 C ATOM 142 CG PRO A 10 27.586 -10.615 4.145 1.00 72.11 C ATOM 143 CD PRO A 10 26.255 -10.089 3.682 1.00 21.52 C ATOM 0 HA PRO A 10 28.243 -8.831 1.427 1.00 62.42 H new ATOM 0 HB2 PRO A 10 29.512 -10.539 3.213 1.00 65.21 H new ATOM 0 HB3 PRO A 10 28.909 -8.980 3.740 1.00 65.21 H new ATOM 0 HG2 PRO A 10 27.641 -11.697 4.026 1.00 72.11 H new ATOM 0 HG3 PRO A 10 27.744 -10.402 5.202 1.00 72.11 H new ATOM 0 HD2 PRO A 10 25.474 -10.845 3.764 1.00 21.52 H new ATOM 0 HD3 PRO A 10 25.933 -9.233 4.274 1.00 21.52 H new ATOM 151 N GLU A 11 29.102 -10.576 -0.006 1.00 32.33 N ATOM 152 CA GLU A 11 29.519 -11.579 -0.978 1.00 72.35 C ATOM 153 C GLU A 11 30.027 -12.837 -0.279 1.00 44.24 C ATOM 154 O GLU A 11 30.446 -12.790 0.877 1.00 53.22 O ATOM 155 CB GLU A 11 30.609 -11.014 -1.892 1.00 34.12 C ATOM 156 CG GLU A 11 30.113 -10.661 -3.284 1.00 62.01 C ATOM 157 CD GLU A 11 31.081 -11.084 -4.372 1.00 74.43 C ATOM 158 OE1 GLU A 11 32.300 -10.878 -4.195 1.00 35.34 O ATOM 159 OE2 GLU A 11 30.619 -11.621 -5.401 1.00 64.11 O ATOM 0 H GLU A 11 29.483 -9.644 -0.170 1.00 32.33 H new ATOM 0 HA GLU A 11 28.651 -11.845 -1.581 1.00 72.35 H new ATOM 0 HB2 GLU A 11 31.033 -10.123 -1.430 1.00 34.12 H new ATOM 0 HB3 GLU A 11 31.415 -11.743 -1.977 1.00 34.12 H new ATOM 0 HG2 GLU A 11 29.149 -11.140 -3.454 1.00 62.01 H new ATOM 0 HG3 GLU A 11 29.950 -9.585 -3.346 1.00 62.01 H new ATOM 166 N GLU A 12 29.987 -13.959 -0.990 1.00 61.43 N ATOM 167 CA GLU A 12 30.443 -15.230 -0.438 1.00 15.45 C ATOM 168 C GLU A 12 29.605 -15.627 0.775 1.00 43.30 C ATOM 169 O GLU A 12 30.098 -16.275 1.697 1.00 4.15 O ATOM 170 CB GLU A 12 31.919 -15.140 -0.045 1.00 34.33 C ATOM 171 CG GLU A 12 32.670 -16.452 -0.199 1.00 41.25 C ATOM 172 CD GLU A 12 33.932 -16.504 0.640 1.00 41.44 C ATOM 173 OE1 GLU A 12 34.733 -15.548 0.565 1.00 13.24 O ATOM 174 OE2 GLU A 12 34.119 -17.499 1.370 1.00 64.14 O ATOM 0 H GLU A 12 29.644 -14.014 -1.949 1.00 61.43 H new ATOM 0 HA GLU A 12 30.325 -15.995 -1.206 1.00 15.45 H new ATOM 0 HB2 GLU A 12 32.404 -14.379 -0.657 1.00 34.33 H new ATOM 0 HB3 GLU A 12 31.991 -14.809 0.991 1.00 34.33 H new ATOM 0 HG2 GLU A 12 32.016 -17.276 0.084 1.00 41.25 H new ATOM 0 HG3 GLU A 12 32.929 -16.597 -1.248 1.00 41.25 H new ATOM 181 N ALA A 13 28.336 -15.232 0.765 1.00 23.12 N ATOM 182 CA ALA A 13 27.430 -15.547 1.862 1.00 31.43 C ATOM 183 C ALA A 13 26.990 -17.007 1.809 1.00 51.52 C ATOM 184 O ALA A 13 26.025 -17.351 1.126 1.00 42.54 O ATOM 185 CB ALA A 13 26.219 -14.627 1.827 1.00 34.32 C ATOM 0 H ALA A 13 27.913 -14.693 0.009 1.00 23.12 H new ATOM 0 HA ALA A 13 27.965 -15.390 2.799 1.00 31.43 H new ATOM 0 HB1 ALA A 13 25.551 -14.874 2.652 1.00 34.32 H new ATOM 0 HB2 ALA A 13 26.546 -13.592 1.922 1.00 34.32 H new ATOM 0 HB3 ALA A 13 25.691 -14.756 0.882 1.00 34.32 H new ATOM 191 N LYS A 14 27.704 -17.862 2.533 1.00 14.33 N ATOM 192 CA LYS A 14 27.387 -19.285 2.569 1.00 2.45 C ATOM 193 C LYS A 14 25.917 -19.507 2.908 1.00 13.45 C ATOM 194 O LYS A 14 25.281 -18.663 3.541 1.00 52.42 O ATOM 195 CB LYS A 14 28.271 -19.999 3.594 1.00 3.34 C ATOM 196 CG LYS A 14 29.758 -19.847 3.326 1.00 45.24 C ATOM 197 CD LYS A 14 30.188 -20.641 2.104 1.00 63.04 C ATOM 198 CE LYS A 14 31.270 -19.915 1.319 1.00 52.42 C ATOM 199 NZ LYS A 14 32.587 -19.965 2.012 1.00 14.53 N ATOM 0 H LYS A 14 28.506 -17.594 3.103 1.00 14.33 H new ATOM 0 HA LYS A 14 27.580 -19.700 1.580 1.00 2.45 H new ATOM 0 HB2 LYS A 14 28.048 -19.610 4.587 1.00 3.34 H new ATOM 0 HB3 LYS A 14 28.019 -21.059 3.603 1.00 3.34 H new ATOM 0 HG2 LYS A 14 29.996 -18.794 3.179 1.00 45.24 H new ATOM 0 HG3 LYS A 14 30.322 -20.183 4.196 1.00 45.24 H new ATOM 0 HD2 LYS A 14 30.557 -21.618 2.415 1.00 63.04 H new ATOM 0 HD3 LYS A 14 29.326 -20.816 1.461 1.00 63.04 H new ATOM 0 HE2 LYS A 14 31.363 -20.363 0.330 1.00 52.42 H new ATOM 0 HE3 LYS A 14 30.976 -18.876 1.172 1.00 52.42 H new ATOM 0 HZ1 LYS A 14 33.121 -19.097 1.805 1.00 14.53 H new ATOM 0 HZ2 LYS A 14 32.437 -20.043 3.038 1.00 14.53 H new ATOM 0 HZ3 LYS A 14 33.124 -20.790 1.677 1.00 14.53 H new ATOM 213 N HIS A 15 25.382 -20.648 2.485 1.00 2.33 N ATOM 214 CA HIS A 15 23.986 -20.981 2.746 1.00 24.34 C ATOM 215 C HIS A 15 23.655 -20.814 4.226 1.00 4.53 C ATOM 216 O HIS A 15 24.348 -21.348 5.092 1.00 54.52 O ATOM 217 CB HIS A 15 23.692 -22.415 2.305 1.00 34.22 C ATOM 218 CG HIS A 15 23.628 -22.583 0.818 1.00 34.23 C ATOM 219 ND1 HIS A 15 23.092 -23.698 0.209 1.00 21.43 N ATOM 220 CD2 HIS A 15 24.034 -21.768 -0.183 1.00 63.31 C ATOM 221 CE1 HIS A 15 23.174 -23.563 -1.102 1.00 73.03 C ATOM 222 NE2 HIS A 15 23.741 -22.400 -1.367 1.00 3.04 N ATOM 0 H HIS A 15 25.894 -21.357 1.960 1.00 2.33 H new ATOM 0 HA HIS A 15 23.361 -20.296 2.173 1.00 24.34 H new ATOM 0 HB2 HIS A 15 24.463 -23.074 2.704 1.00 34.22 H new ATOM 0 HB3 HIS A 15 22.744 -22.733 2.739 1.00 34.22 H new ATOM 0 HD1 HIS A 15 22.694 -24.502 0.695 1.00 21.43 H new ATOM 0 HD2 HIS A 15 24.501 -20.801 -0.072 1.00 63.31 H new ATOM 0 HE1 HIS A 15 22.835 -24.282 -1.833 1.00 73.03 H new ATOM 230 N GLY A 16 22.592 -20.067 4.509 1.00 0.02 N ATOM 231 CA GLY A 16 22.189 -19.842 5.885 1.00 53.31 C ATOM 232 C GLY A 16 22.507 -18.438 6.360 1.00 3.10 C ATOM 233 O GLY A 16 22.302 -18.107 7.528 1.00 35.44 O ATOM 0 H GLY A 16 22.003 -19.614 3.810 1.00 0.02 H new ATOM 0 HA2 GLY A 16 21.118 -20.021 5.981 1.00 53.31 H new ATOM 0 HA3 GLY A 16 22.691 -20.563 6.530 1.00 53.31 H new ATOM 237 N THR A 17 23.013 -17.608 5.453 1.00 63.22 N ATOM 238 CA THR A 17 23.364 -16.233 5.786 1.00 71.33 C ATOM 239 C THR A 17 22.174 -15.301 5.594 1.00 54.52 C ATOM 240 O THR A 17 21.554 -15.280 4.530 1.00 13.42 O ATOM 241 CB THR A 17 24.540 -15.730 4.928 1.00 52.15 C ATOM 242 OG1 THR A 17 25.663 -16.606 5.074 1.00 41.25 O ATOM 243 CG2 THR A 17 24.936 -14.317 5.329 1.00 65.14 C ATOM 0 H THR A 17 23.189 -17.864 4.482 1.00 63.22 H new ATOM 0 HA THR A 17 23.661 -16.227 6.835 1.00 71.33 H new ATOM 0 HB THR A 17 24.222 -15.719 3.885 1.00 52.15 H new ATOM 0 HG1 THR A 17 25.402 -17.517 4.823 1.00 41.25 H new ATOM 0 HG21 THR A 17 25.768 -13.983 4.710 1.00 65.14 H new ATOM 0 HG22 THR A 17 24.087 -13.648 5.188 1.00 65.14 H new ATOM 0 HG23 THR A 17 25.236 -14.307 6.377 1.00 65.14 H new ATOM 251 N PHE A 18 21.859 -14.529 6.629 1.00 23.23 N ATOM 252 CA PHE A 18 20.742 -13.594 6.574 1.00 1.53 C ATOM 253 C PHE A 18 20.939 -12.576 5.454 1.00 23.31 C ATOM 254 O PHE A 18 22.064 -12.316 5.028 1.00 44.32 O ATOM 255 CB PHE A 18 20.589 -12.870 7.914 1.00 74.41 C ATOM 256 CG PHE A 18 20.728 -11.379 7.809 1.00 14.52 C ATOM 257 CD1 PHE A 18 21.980 -10.787 7.776 1.00 40.10 C ATOM 258 CD2 PHE A 18 19.606 -10.568 7.745 1.00 52.23 C ATOM 259 CE1 PHE A 18 22.112 -9.414 7.679 1.00 34.33 C ATOM 260 CE2 PHE A 18 19.731 -9.195 7.648 1.00 42.15 C ATOM 261 CZ PHE A 18 20.985 -8.617 7.616 1.00 25.30 C ATOM 0 H PHE A 18 22.362 -14.533 7.516 1.00 23.23 H new ATOM 0 HA PHE A 18 19.835 -14.163 6.369 1.00 1.53 H new ATOM 0 HB2 PHE A 18 19.613 -13.107 8.336 1.00 74.41 H new ATOM 0 HB3 PHE A 18 21.338 -13.249 8.610 1.00 74.41 H new ATOM 0 HD1 PHE A 18 22.864 -11.406 7.827 1.00 40.10 H new ATOM 0 HD2 PHE A 18 18.623 -11.014 7.771 1.00 52.23 H new ATOM 0 HE1 PHE A 18 23.094 -8.965 7.653 1.00 34.33 H new ATOM 0 HE2 PHE A 18 18.849 -8.574 7.597 1.00 42.15 H new ATOM 0 HZ PHE A 18 21.085 -7.544 7.542 1.00 25.30 H new ATOM 271 N VAL A 19 19.836 -12.005 4.981 1.00 4.30 N ATOM 272 CA VAL A 19 19.887 -11.016 3.911 1.00 55.31 C ATOM 273 C VAL A 19 19.174 -9.730 4.317 1.00 63.33 C ATOM 274 O VAL A 19 19.742 -8.642 4.237 1.00 52.25 O ATOM 275 CB VAL A 19 19.250 -11.556 2.617 1.00 75.11 C ATOM 276 CG1 VAL A 19 19.433 -10.566 1.477 1.00 1.31 C ATOM 277 CG2 VAL A 19 19.841 -12.911 2.258 1.00 43.34 C ATOM 0 H VAL A 19 18.897 -12.210 5.322 1.00 4.30 H new ATOM 0 HA VAL A 19 20.940 -10.802 3.727 1.00 55.31 H new ATOM 0 HB VAL A 19 18.181 -11.684 2.785 1.00 75.11 H new ATOM 0 HG11 VAL A 19 18.976 -10.965 0.571 1.00 1.31 H new ATOM 0 HG12 VAL A 19 18.957 -9.620 1.737 1.00 1.31 H new ATOM 0 HG13 VAL A 19 20.497 -10.402 1.305 1.00 1.31 H new ATOM 0 HG21 VAL A 19 19.380 -13.278 1.341 1.00 43.34 H new ATOM 0 HG22 VAL A 19 20.916 -12.811 2.108 1.00 43.34 H new ATOM 0 HG23 VAL A 19 19.651 -13.616 3.067 1.00 43.34 H new ATOM 287 N GLY A 20 17.926 -9.865 4.754 1.00 54.43 N ATOM 288 CA GLY A 20 17.156 -8.706 5.166 1.00 15.24 C ATOM 289 C GLY A 20 15.689 -9.028 5.375 1.00 62.52 C ATOM 290 O GLY A 20 15.087 -9.752 4.582 1.00 62.35 O ATOM 0 H GLY A 20 17.435 -10.756 4.830 1.00 54.43 H new ATOM 0 HA2 GLY A 20 17.572 -8.307 6.091 1.00 15.24 H new ATOM 0 HA3 GLY A 20 17.249 -7.925 4.412 1.00 15.24 H new ATOM 294 N ARG A 21 15.113 -8.492 6.445 1.00 2.25 N ATOM 295 CA ARG A 21 13.709 -8.729 6.757 1.00 31.13 C ATOM 296 C ARG A 21 12.826 -8.428 5.550 1.00 74.41 C ATOM 297 O ARG A 21 12.565 -7.267 5.233 1.00 64.42 O ATOM 298 CB ARG A 21 13.276 -7.869 7.946 1.00 20.11 C ATOM 299 CG ARG A 21 12.760 -8.676 9.126 1.00 75.42 C ATOM 300 CD ARG A 21 12.629 -7.818 10.374 1.00 55.31 C ATOM 301 NE ARG A 21 13.577 -8.212 11.412 1.00 71.50 N ATOM 302 CZ ARG A 21 13.434 -7.901 12.695 1.00 35.13 C ATOM 303 NH1 ARG A 21 12.386 -7.195 13.096 1.00 14.25 N ATOM 304 NH2 ARG A 21 14.339 -8.297 13.581 1.00 43.25 N ATOM 0 H ARG A 21 15.597 -7.890 7.111 1.00 2.25 H new ATOM 0 HA ARG A 21 13.593 -9.781 7.017 1.00 31.13 H new ATOM 0 HB2 ARG A 21 14.122 -7.264 8.273 1.00 20.11 H new ATOM 0 HB3 ARG A 21 12.497 -7.179 7.620 1.00 20.11 H new ATOM 0 HG2 ARG A 21 11.791 -9.108 8.877 1.00 75.42 H new ATOM 0 HG3 ARG A 21 13.437 -9.507 9.324 1.00 75.42 H new ATOM 0 HD2 ARG A 21 12.791 -6.772 10.113 1.00 55.31 H new ATOM 0 HD3 ARG A 21 11.613 -7.896 10.762 1.00 55.31 H new ATOM 0 HE ARG A 21 14.394 -8.756 11.136 1.00 71.50 H new ATOM 0 HH11 ARG A 21 11.687 -6.890 12.418 1.00 14.25 H new ATOM 0 HH12 ARG A 21 12.278 -6.957 14.082 1.00 14.25 H new ATOM 0 HH21 ARG A 21 15.146 -8.841 13.277 1.00 43.25 H new ATOM 0 HH22 ARG A 21 14.227 -8.057 14.566 1.00 43.25 H new ATOM 318 N ILE A 22 12.369 -9.481 4.881 1.00 74.51 N ATOM 319 CA ILE A 22 11.514 -9.330 3.710 1.00 45.25 C ATOM 320 C ILE A 22 10.116 -8.867 4.105 1.00 43.12 C ATOM 321 O ILE A 22 9.500 -8.058 3.412 1.00 43.21 O ATOM 322 CB ILE A 22 11.403 -10.647 2.920 1.00 73.41 C ATOM 323 CG1 ILE A 22 10.250 -10.570 1.917 1.00 34.22 C ATOM 324 CG2 ILE A 22 11.208 -11.819 3.870 1.00 31.42 C ATOM 325 CD1 ILE A 22 10.359 -11.576 0.792 1.00 13.43 C ATOM 0 H ILE A 22 12.577 -10.448 5.130 1.00 74.51 H new ATOM 0 HA ILE A 22 11.978 -8.574 3.076 1.00 45.25 H new ATOM 0 HB ILE A 22 12.330 -10.802 2.368 1.00 73.41 H new ATOM 0 HG12 ILE A 22 9.309 -10.728 2.444 1.00 34.22 H new ATOM 0 HG13 ILE A 22 10.214 -9.566 1.494 1.00 34.22 H new ATOM 0 HG21 ILE A 22 11.131 -12.743 3.297 1.00 31.42 H new ATOM 0 HG22 ILE A 22 12.059 -11.883 4.549 1.00 31.42 H new ATOM 0 HG23 ILE A 22 10.294 -11.672 4.446 1.00 31.42 H new ATOM 0 HD11 ILE A 22 9.508 -11.464 0.120 1.00 13.43 H new ATOM 0 HD12 ILE A 22 11.283 -11.405 0.240 1.00 13.43 H new ATOM 0 HD13 ILE A 22 10.364 -12.585 1.205 1.00 13.43 H new ATOM 337 N ALA A 23 9.622 -9.385 5.224 1.00 0.25 N ATOM 338 CA ALA A 23 8.298 -9.022 5.715 1.00 42.23 C ATOM 339 C ALA A 23 8.274 -7.581 6.214 1.00 73.12 C ATOM 340 O ALA A 23 7.410 -6.796 5.826 1.00 54.52 O ATOM 341 CB ALA A 23 7.866 -9.973 6.821 1.00 52.03 C ATOM 0 H ALA A 23 10.119 -10.058 5.808 1.00 0.25 H new ATOM 0 HA ALA A 23 7.595 -9.104 4.886 1.00 42.23 H new ATOM 0 HB1 ALA A 23 6.876 -9.690 7.178 1.00 52.03 H new ATOM 0 HB2 ALA A 23 7.835 -10.991 6.434 1.00 52.03 H new ATOM 0 HB3 ALA A 23 8.578 -9.920 7.645 1.00 52.03 H new ATOM 347 N GLN A 24 9.227 -7.242 7.076 1.00 34.11 N ATOM 348 CA GLN A 24 9.312 -5.896 7.629 1.00 43.41 C ATOM 349 C GLN A 24 9.366 -4.853 6.517 1.00 70.10 C ATOM 350 O GLN A 24 8.735 -3.800 6.609 1.00 71.00 O ATOM 351 CB GLN A 24 10.545 -5.767 8.525 1.00 43.31 C ATOM 352 CG GLN A 24 10.423 -4.674 9.575 1.00 71.40 C ATOM 353 CD GLN A 24 11.343 -3.500 9.305 1.00 12.13 C ATOM 354 OE1 GLN A 24 11.560 -3.118 8.155 1.00 62.20 O ATOM 355 NE2 GLN A 24 11.889 -2.919 10.367 1.00 30.44 N ATOM 0 H GLN A 24 9.951 -7.881 7.406 1.00 34.11 H new ATOM 0 HA GLN A 24 8.417 -5.719 8.226 1.00 43.41 H new ATOM 0 HB2 GLN A 24 10.723 -6.720 9.024 1.00 43.31 H new ATOM 0 HB3 GLN A 24 11.417 -5.565 7.902 1.00 43.31 H new ATOM 0 HG2 GLN A 24 9.392 -4.322 9.610 1.00 71.40 H new ATOM 0 HG3 GLN A 24 10.651 -5.091 10.556 1.00 71.40 H new ATOM 0 HE21 GLN A 24 11.682 -3.268 11.303 1.00 30.44 H new ATOM 0 HE22 GLN A 24 12.516 -2.123 10.247 1.00 30.44 H new ATOM 364 N ASP A 25 10.123 -5.153 5.468 1.00 63.24 N ATOM 365 CA ASP A 25 10.259 -4.242 4.337 1.00 31.20 C ATOM 366 C ASP A 25 9.006 -4.266 3.467 1.00 42.22 C ATOM 367 O ASP A 25 8.733 -3.319 2.727 1.00 63.50 O ATOM 368 CB ASP A 25 11.484 -4.613 3.500 1.00 73.54 C ATOM 369 CG ASP A 25 12.765 -4.597 4.309 1.00 4.52 C ATOM 370 OD1 ASP A 25 12.751 -4.049 5.432 1.00 62.31 O ATOM 371 OD2 ASP A 25 13.782 -5.131 3.821 1.00 64.24 O ATOM 0 H ASP A 25 10.652 -6.020 5.377 1.00 63.24 H new ATOM 0 HA ASP A 25 10.389 -3.233 4.728 1.00 31.20 H new ATOM 0 HB2 ASP A 25 11.341 -5.605 3.072 1.00 73.54 H new ATOM 0 HB3 ASP A 25 11.575 -3.916 2.667 1.00 73.54 H new ATOM 376 N LEU A 26 8.248 -5.353 3.559 1.00 3.23 N ATOM 377 CA LEU A 26 7.024 -5.501 2.780 1.00 42.33 C ATOM 378 C LEU A 26 5.864 -4.765 3.443 1.00 61.02 C ATOM 379 O LEU A 26 5.042 -4.146 2.769 1.00 40.21 O ATOM 380 CB LEU A 26 6.677 -6.981 2.615 1.00 33.20 C ATOM 381 CG LEU A 26 6.954 -7.587 1.239 1.00 41.34 C ATOM 382 CD1 LEU A 26 8.403 -7.357 0.837 1.00 73.25 C ATOM 383 CD2 LEU A 26 6.626 -9.073 1.234 1.00 43.32 C ATOM 0 H LEU A 26 8.460 -6.145 4.166 1.00 3.23 H new ATOM 0 HA LEU A 26 7.193 -5.062 1.797 1.00 42.33 H new ATOM 0 HB2 LEU A 26 7.235 -7.549 3.359 1.00 33.20 H new ATOM 0 HB3 LEU A 26 5.619 -7.113 2.841 1.00 33.20 H new ATOM 0 HG LEU A 26 6.313 -7.092 0.509 1.00 41.34 H new ATOM 0 HD11 LEU A 26 8.582 -7.795 -0.145 1.00 73.25 H new ATOM 0 HD12 LEU A 26 8.605 -6.286 0.799 1.00 73.25 H new ATOM 0 HD13 LEU A 26 9.062 -7.825 1.568 1.00 73.25 H new ATOM 0 HD21 LEU A 26 6.829 -9.487 0.246 1.00 43.32 H new ATOM 0 HD22 LEU A 26 7.241 -9.584 1.975 1.00 43.32 H new ATOM 0 HD23 LEU A 26 5.573 -9.214 1.477 1.00 43.32 H new ATOM 395 N GLY A 27 5.806 -4.836 4.769 1.00 34.13 N ATOM 396 CA GLY A 27 4.744 -4.171 5.502 1.00 40.23 C ATOM 397 C GLY A 27 3.571 -5.088 5.784 1.00 60.40 C ATOM 398 O GLY A 27 2.414 -4.672 5.708 1.00 44.54 O ATOM 0 H GLY A 27 6.475 -5.342 5.349 1.00 34.13 H new ATOM 0 HA2 GLY A 27 5.140 -3.792 6.444 1.00 40.23 H new ATOM 0 HA3 GLY A 27 4.398 -3.309 4.932 1.00 40.23 H new ATOM 402 N LEU A 28 3.868 -6.342 6.110 1.00 55.34 N ATOM 403 CA LEU A 28 2.828 -7.322 6.403 1.00 61.42 C ATOM 404 C LEU A 28 3.166 -8.114 7.662 1.00 31.01 C ATOM 405 O LEU A 28 4.334 -8.371 7.950 1.00 64.03 O ATOM 406 CB LEU A 28 2.650 -8.276 5.220 1.00 44.43 C ATOM 407 CG LEU A 28 3.760 -8.253 4.167 1.00 33.55 C ATOM 408 CD1 LEU A 28 5.050 -8.818 4.741 1.00 44.24 C ATOM 409 CD2 LEU A 28 3.337 -9.033 2.931 1.00 63.22 C ATOM 0 H LEU A 28 4.819 -6.703 6.178 1.00 55.34 H new ATOM 0 HA LEU A 28 1.895 -6.785 6.572 1.00 61.42 H new ATOM 0 HB2 LEU A 28 2.565 -9.291 5.607 1.00 44.43 H new ATOM 0 HB3 LEU A 28 1.706 -8.042 4.729 1.00 44.43 H new ATOM 0 HG LEU A 28 3.939 -7.218 3.876 1.00 33.55 H new ATOM 0 HD11 LEU A 28 5.829 -8.794 3.979 1.00 44.24 H new ATOM 0 HD12 LEU A 28 5.361 -8.218 5.596 1.00 44.24 H new ATOM 0 HD13 LEU A 28 4.886 -9.847 5.060 1.00 44.24 H new ATOM 0 HD21 LEU A 28 4.138 -9.006 2.192 1.00 63.22 H new ATOM 0 HD22 LEU A 28 3.131 -10.067 3.206 1.00 63.22 H new ATOM 0 HD23 LEU A 28 2.438 -8.585 2.508 1.00 63.22 H new ATOM 421 N GLU A 29 2.135 -8.499 8.407 1.00 34.14 N ATOM 422 CA GLU A 29 2.323 -9.263 9.635 1.00 3.11 C ATOM 423 C GLU A 29 2.835 -10.668 9.329 1.00 54.42 C ATOM 424 O GLU A 29 2.221 -11.410 8.561 1.00 64.13 O ATOM 425 CB GLU A 29 1.011 -9.345 10.418 1.00 70.24 C ATOM 426 CG GLU A 29 0.370 -7.992 10.676 1.00 44.11 C ATOM 427 CD GLU A 29 -0.469 -7.975 11.938 1.00 33.45 C ATOM 428 OE1 GLU A 29 -1.643 -8.397 11.875 1.00 54.42 O ATOM 429 OE2 GLU A 29 0.047 -7.541 12.989 1.00 32.44 O ATOM 0 H GLU A 29 1.161 -8.295 8.182 1.00 34.14 H new ATOM 0 HA GLU A 29 3.068 -8.748 10.242 1.00 3.11 H new ATOM 0 HB2 GLU A 29 0.308 -9.971 9.868 1.00 70.24 H new ATOM 0 HB3 GLU A 29 1.198 -9.837 11.373 1.00 70.24 H new ATOM 0 HG2 GLU A 29 1.149 -7.234 10.752 1.00 44.11 H new ATOM 0 HG3 GLU A 29 -0.255 -7.722 9.825 1.00 44.11 H new ATOM 436 N LEU A 30 3.962 -11.025 9.934 1.00 33.50 N ATOM 437 CA LEU A 30 4.557 -12.341 9.727 1.00 42.04 C ATOM 438 C LEU A 30 3.622 -13.445 10.210 1.00 12.41 C ATOM 439 O LEU A 30 3.781 -14.611 9.849 1.00 33.32 O ATOM 440 CB LEU A 30 5.898 -12.437 10.457 1.00 52.40 C ATOM 441 CG LEU A 30 7.146 -12.427 9.573 1.00 13.35 C ATOM 442 CD1 LEU A 30 8.139 -11.385 10.064 1.00 0.04 C ATOM 443 CD2 LEU A 30 7.788 -13.806 9.542 1.00 1.13 C ATOM 0 H LEU A 30 4.482 -10.422 10.572 1.00 33.50 H new ATOM 0 HA LEU A 30 4.722 -12.473 8.658 1.00 42.04 H new ATOM 0 HB2 LEU A 30 5.967 -11.606 11.158 1.00 52.40 H new ATOM 0 HB3 LEU A 30 5.903 -13.353 11.047 1.00 52.40 H new ATOM 0 HG LEU A 30 6.848 -12.164 8.558 1.00 13.35 H new ATOM 0 HD11 LEU A 30 9.021 -11.392 9.423 1.00 0.04 H new ATOM 0 HD12 LEU A 30 7.676 -10.399 10.034 1.00 0.04 H new ATOM 0 HD13 LEU A 30 8.433 -11.616 11.088 1.00 0.04 H new ATOM 0 HD21 LEU A 30 8.675 -13.780 8.908 1.00 1.13 H new ATOM 0 HD22 LEU A 30 8.073 -14.098 10.553 1.00 1.13 H new ATOM 0 HD23 LEU A 30 7.077 -14.529 9.142 1.00 1.13 H new ATOM 455 N THR A 31 2.644 -13.068 11.028 1.00 34.11 N ATOM 456 CA THR A 31 1.682 -14.025 11.560 1.00 13.14 C ATOM 457 C THR A 31 0.545 -14.268 10.575 1.00 53.35 C ATOM 458 O THR A 31 -0.396 -15.005 10.868 1.00 43.01 O ATOM 459 CB THR A 31 1.091 -13.542 12.899 1.00 63.42 C ATOM 460 OG1 THR A 31 0.505 -12.246 12.737 1.00 74.34 O ATOM 461 CG2 THR A 31 2.165 -13.488 13.975 1.00 13.43 C ATOM 0 H THR A 31 2.497 -12.107 11.336 1.00 34.11 H new ATOM 0 HA THR A 31 2.222 -14.957 11.724 1.00 13.14 H new ATOM 0 HB THR A 31 0.323 -14.251 13.209 1.00 63.42 H new ATOM 0 HG1 THR A 31 0.130 -11.947 13.592 1.00 74.34 H new ATOM 0 HG21 THR A 31 1.725 -13.144 14.911 1.00 13.43 H new ATOM 0 HG22 THR A 31 2.589 -14.482 14.116 1.00 13.43 H new ATOM 0 HG23 THR A 31 2.952 -12.798 13.669 1.00 13.43 H new ATOM 469 N GLU A 32 0.638 -13.643 9.405 1.00 63.23 N ATOM 470 CA GLU A 32 -0.384 -13.793 8.376 1.00 52.42 C ATOM 471 C GLU A 32 0.226 -14.300 7.072 1.00 34.44 C ATOM 472 O GLU A 32 -0.448 -14.367 6.043 1.00 3.11 O ATOM 473 CB GLU A 32 -1.094 -12.459 8.134 1.00 74.01 C ATOM 474 CG GLU A 32 -1.944 -12.000 9.307 1.00 31.30 C ATOM 475 CD GLU A 32 -3.343 -12.584 9.277 1.00 14.33 C ATOM 476 OE1 GLU A 32 -3.906 -12.721 8.171 1.00 13.12 O ATOM 477 OE2 GLU A 32 -3.875 -12.903 10.361 1.00 33.42 O ATOM 0 H GLU A 32 1.410 -13.029 9.147 1.00 63.23 H new ATOM 0 HA GLU A 32 -1.111 -14.526 8.726 1.00 52.42 H new ATOM 0 HB2 GLU A 32 -0.348 -11.695 7.916 1.00 74.01 H new ATOM 0 HB3 GLU A 32 -1.727 -12.549 7.251 1.00 74.01 H new ATOM 0 HG2 GLU A 32 -1.455 -12.285 10.239 1.00 31.30 H new ATOM 0 HG3 GLU A 32 -2.008 -10.912 9.301 1.00 31.30 H new ATOM 484 N LEU A 33 1.504 -14.657 7.124 1.00 22.10 N ATOM 485 CA LEU A 33 2.207 -15.159 5.948 1.00 53.30 C ATOM 486 C LEU A 33 1.650 -16.512 5.518 1.00 65.25 C ATOM 487 O LEU A 33 1.447 -16.762 4.329 1.00 23.34 O ATOM 488 CB LEU A 33 3.704 -15.278 6.236 1.00 21.24 C ATOM 489 CG LEU A 33 4.485 -13.965 6.285 1.00 2.43 C ATOM 490 CD1 LEU A 33 5.794 -14.149 7.038 1.00 33.21 C ATOM 491 CD2 LEU A 33 4.746 -13.446 4.878 1.00 32.44 C ATOM 0 H LEU A 33 2.075 -14.608 7.968 1.00 22.10 H new ATOM 0 HA LEU A 33 2.056 -14.450 5.134 1.00 53.30 H new ATOM 0 HB2 LEU A 33 3.830 -15.788 7.191 1.00 21.24 H new ATOM 0 HB3 LEU A 33 4.151 -15.915 5.473 1.00 21.24 H new ATOM 0 HG LEU A 33 3.884 -13.228 6.817 1.00 2.43 H new ATOM 0 HD11 LEU A 33 6.336 -13.204 7.062 1.00 33.21 H new ATOM 0 HD12 LEU A 33 5.585 -14.474 8.057 1.00 33.21 H new ATOM 0 HD13 LEU A 33 6.401 -14.902 6.535 1.00 33.21 H new ATOM 0 HD21 LEU A 33 5.303 -12.511 4.933 1.00 32.44 H new ATOM 0 HD22 LEU A 33 5.326 -14.182 4.321 1.00 32.44 H new ATOM 0 HD23 LEU A 33 3.796 -13.274 4.372 1.00 32.44 H new ATOM 503 N VAL A 34 1.404 -17.382 6.492 1.00 1.00 N ATOM 504 CA VAL A 34 0.868 -18.709 6.215 1.00 72.13 C ATOM 505 C VAL A 34 -0.400 -18.625 5.372 1.00 44.44 C ATOM 506 O VAL A 34 -0.489 -19.190 4.281 1.00 5.43 O ATOM 507 CB VAL A 34 0.556 -19.472 7.516 1.00 15.51 C ATOM 508 CG1 VAL A 34 -0.612 -20.424 7.310 1.00 70.41 C ATOM 509 CG2 VAL A 34 1.787 -20.221 8.002 1.00 33.14 C ATOM 0 H VAL A 34 1.568 -17.191 7.481 1.00 1.00 H new ATOM 0 HA VAL A 34 1.635 -19.250 5.660 1.00 72.13 H new ATOM 0 HB VAL A 34 0.273 -18.750 8.282 1.00 15.51 H new ATOM 0 HG11 VAL A 34 -0.818 -20.954 8.240 1.00 70.41 H new ATOM 0 HG12 VAL A 34 -1.495 -19.858 7.012 1.00 70.41 H new ATOM 0 HG13 VAL A 34 -0.362 -21.143 6.530 1.00 70.41 H new ATOM 0 HG21 VAL A 34 1.549 -20.754 8.922 1.00 33.14 H new ATOM 0 HG22 VAL A 34 2.103 -20.934 7.241 1.00 33.14 H new ATOM 0 HG23 VAL A 34 2.593 -19.512 8.192 1.00 33.14 H new ATOM 519 N PRO A 35 -1.405 -17.901 5.886 1.00 33.40 N ATOM 520 CA PRO A 35 -2.687 -17.724 5.196 1.00 24.42 C ATOM 521 C PRO A 35 -2.561 -16.847 3.955 1.00 25.32 C ATOM 522 O PRO A 35 -3.450 -16.828 3.105 1.00 52.44 O ATOM 523 CB PRO A 35 -3.564 -17.040 6.248 1.00 61.34 C ATOM 524 CG PRO A 35 -2.603 -16.342 7.147 1.00 41.14 C ATOM 525 CD PRO A 35 -1.369 -17.200 7.180 1.00 22.45 C ATOM 0 HA PRO A 35 -3.090 -18.670 4.835 1.00 24.42 H new ATOM 0 HB2 PRO A 35 -4.258 -16.337 5.788 1.00 61.34 H new ATOM 0 HB3 PRO A 35 -4.163 -17.766 6.797 1.00 61.34 H new ATOM 0 HG2 PRO A 35 -2.374 -15.344 6.774 1.00 41.14 H new ATOM 0 HG3 PRO A 35 -3.021 -16.221 8.146 1.00 41.14 H new ATOM 0 HD2 PRO A 35 -0.465 -16.600 7.287 1.00 22.45 H new ATOM 0 HD3 PRO A 35 -1.388 -17.899 8.016 1.00 22.45 H new ATOM 533 N ARG A 36 -1.450 -16.124 3.858 1.00 11.51 N ATOM 534 CA ARG A 36 -1.209 -15.244 2.721 1.00 44.21 C ATOM 535 C ARG A 36 -0.452 -15.977 1.617 1.00 34.31 C ATOM 536 O ARG A 36 -0.089 -15.385 0.600 1.00 60.53 O ATOM 537 CB ARG A 36 -0.419 -14.010 3.162 1.00 63.10 C ATOM 538 CG ARG A 36 -1.289 -12.901 3.730 1.00 42.21 C ATOM 539 CD ARG A 36 -0.465 -11.897 4.522 1.00 54.15 C ATOM 540 NE ARG A 36 -0.718 -10.524 4.094 1.00 41.50 N ATOM 541 CZ ARG A 36 -0.488 -9.462 4.859 1.00 51.24 C ATOM 542 NH1 ARG A 36 -0.003 -9.615 6.083 1.00 42.12 N ATOM 543 NH2 ARG A 36 -0.743 -8.244 4.399 1.00 54.35 N ATOM 0 H ARG A 36 -0.703 -16.130 4.553 1.00 11.51 H new ATOM 0 HA ARG A 36 -2.175 -14.928 2.328 1.00 44.21 H new ATOM 0 HB2 ARG A 36 0.313 -14.307 3.913 1.00 63.10 H new ATOM 0 HB3 ARG A 36 0.139 -13.622 2.309 1.00 63.10 H new ATOM 0 HG2 ARG A 36 -1.805 -12.390 2.917 1.00 42.21 H new ATOM 0 HG3 ARG A 36 -2.056 -13.332 4.373 1.00 42.21 H new ATOM 0 HD2 ARG A 36 -0.696 -11.995 5.583 1.00 54.15 H new ATOM 0 HD3 ARG A 36 0.595 -12.124 4.404 1.00 54.15 H new ATOM 0 HE ARG A 36 -1.091 -10.372 3.157 1.00 41.50 H new ATOM 0 HH11 ARG A 36 0.195 -10.550 6.440 1.00 42.12 H new ATOM 0 HH12 ARG A 36 0.173 -8.798 6.668 1.00 42.12 H new ATOM 0 HH21 ARG A 36 -1.116 -8.122 3.457 1.00 54.35 H new ATOM 0 HH22 ARG A 36 -0.566 -7.429 4.987 1.00 54.35 H new ATOM 557 N LEU A 37 -0.218 -17.268 1.825 1.00 72.21 N ATOM 558 CA LEU A 37 0.495 -18.083 0.848 1.00 63.42 C ATOM 559 C LEU A 37 1.759 -17.377 0.369 1.00 65.03 C ATOM 560 O LEU A 37 1.942 -17.152 -0.828 1.00 12.21 O ATOM 561 CB LEU A 37 -0.411 -18.396 -0.344 1.00 50.22 C ATOM 562 CG LEU A 37 -1.278 -19.649 -0.218 1.00 62.10 C ATOM 563 CD1 LEU A 37 -0.407 -20.891 -0.101 1.00 12.44 C ATOM 564 CD2 LEU A 37 -2.210 -19.534 0.979 1.00 74.30 C ATOM 0 H LEU A 37 -0.512 -17.773 2.661 1.00 72.21 H new ATOM 0 HA LEU A 37 0.783 -19.016 1.332 1.00 63.42 H new ATOM 0 HB2 LEU A 37 -1.066 -17.541 -0.511 1.00 50.22 H new ATOM 0 HB3 LEU A 37 0.213 -18.498 -1.232 1.00 50.22 H new ATOM 0 HG LEU A 37 -1.885 -19.740 -1.119 1.00 62.10 H new ATOM 0 HD11 LEU A 37 -1.041 -21.773 -0.012 1.00 12.44 H new ATOM 0 HD12 LEU A 37 0.219 -20.982 -0.989 1.00 12.44 H new ATOM 0 HD13 LEU A 37 0.227 -20.809 0.782 1.00 12.44 H new ATOM 0 HD21 LEU A 37 -2.820 -20.435 1.053 1.00 74.30 H new ATOM 0 HD22 LEU A 37 -1.621 -19.418 1.889 1.00 74.30 H new ATOM 0 HD23 LEU A 37 -2.858 -18.667 0.854 1.00 74.30 H new ATOM 576 N PHE A 38 2.631 -17.031 1.310 1.00 20.55 N ATOM 577 CA PHE A 38 3.879 -16.352 0.985 1.00 44.25 C ATOM 578 C PHE A 38 4.881 -17.322 0.365 1.00 2.02 C ATOM 579 O PHE A 38 5.125 -18.404 0.899 1.00 21.13 O ATOM 580 CB PHE A 38 4.479 -15.713 2.239 1.00 45.03 C ATOM 581 CG PHE A 38 5.364 -14.535 1.947 1.00 52.54 C ATOM 582 CD1 PHE A 38 4.816 -13.290 1.681 1.00 2.31 C ATOM 583 CD2 PHE A 38 6.742 -14.671 1.938 1.00 25.42 C ATOM 584 CE1 PHE A 38 5.628 -12.204 1.411 1.00 33.03 C ATOM 585 CE2 PHE A 38 7.559 -13.589 1.669 1.00 22.14 C ATOM 586 CZ PHE A 38 7.001 -12.354 1.407 1.00 52.44 C ATOM 0 H PHE A 38 2.496 -17.210 2.305 1.00 20.55 H new ATOM 0 HA PHE A 38 3.659 -15.570 0.258 1.00 44.25 H new ATOM 0 HB2 PHE A 38 3.671 -15.395 2.898 1.00 45.03 H new ATOM 0 HB3 PHE A 38 5.054 -16.464 2.780 1.00 45.03 H new ATOM 0 HD1 PHE A 38 3.743 -13.167 1.685 1.00 2.31 H new ATOM 0 HD2 PHE A 38 7.184 -15.635 2.144 1.00 25.42 H new ATOM 0 HE1 PHE A 38 5.189 -11.239 1.203 1.00 33.03 H new ATOM 0 HE2 PHE A 38 8.632 -13.710 1.664 1.00 22.14 H new ATOM 0 HZ PHE A 38 7.637 -11.506 1.199 1.00 52.44 H new ATOM 596 N ARG A 39 5.458 -16.926 -0.765 1.00 32.41 N ATOM 597 CA ARG A 39 6.432 -17.761 -1.459 1.00 14.34 C ATOM 598 C ARG A 39 7.423 -16.904 -2.240 1.00 2.30 C ATOM 599 O ARG A 39 7.104 -15.790 -2.656 1.00 3.20 O ATOM 600 CB ARG A 39 5.722 -18.730 -2.406 1.00 13.13 C ATOM 601 CG ARG A 39 5.624 -20.147 -1.866 1.00 35.25 C ATOM 602 CD ARG A 39 5.120 -21.114 -2.926 1.00 13.22 C ATOM 603 NE ARG A 39 5.497 -22.494 -2.632 1.00 44.34 N ATOM 604 CZ ARG A 39 4.977 -23.546 -3.254 1.00 32.14 C ATOM 605 NH1 ARG A 39 4.062 -23.377 -4.198 1.00 12.00 N ATOM 606 NH2 ARG A 39 5.372 -24.771 -2.931 1.00 31.02 N ATOM 0 H ARG A 39 5.268 -16.033 -1.219 1.00 32.41 H new ATOM 0 HA ARG A 39 6.982 -18.332 -0.711 1.00 14.34 H new ATOM 0 HB2 ARG A 39 4.718 -18.357 -2.608 1.00 13.13 H new ATOM 0 HB3 ARG A 39 6.253 -18.749 -3.358 1.00 13.13 H new ATOM 0 HG2 ARG A 39 6.603 -20.471 -1.512 1.00 35.25 H new ATOM 0 HG3 ARG A 39 4.953 -20.165 -1.007 1.00 35.25 H new ATOM 0 HD2 ARG A 39 4.035 -21.042 -2.996 1.00 13.22 H new ATOM 0 HD3 ARG A 39 5.522 -20.828 -3.898 1.00 13.22 H new ATOM 0 HE ARG A 39 6.198 -22.659 -1.910 1.00 44.34 H new ATOM 0 HH11 ARG A 39 3.755 -22.437 -4.449 1.00 12.00 H new ATOM 0 HH12 ARG A 39 3.665 -24.187 -4.674 1.00 12.00 H new ATOM 0 HH21 ARG A 39 6.075 -24.905 -2.205 1.00 31.02 H new ATOM 0 HH22 ARG A 39 4.972 -25.578 -3.409 1.00 31.02 H new ATOM 620 N VAL A 40 8.628 -17.431 -2.435 1.00 52.03 N ATOM 621 CA VAL A 40 9.666 -16.715 -3.167 1.00 22.12 C ATOM 622 C VAL A 40 9.847 -17.290 -4.567 1.00 43.32 C ATOM 623 O VAL A 40 9.811 -18.505 -4.760 1.00 41.52 O ATOM 624 CB VAL A 40 11.014 -16.768 -2.424 1.00 23.23 C ATOM 625 CG1 VAL A 40 12.089 -16.039 -3.215 1.00 64.20 C ATOM 626 CG2 VAL A 40 10.876 -16.179 -1.028 1.00 23.21 C ATOM 0 H VAL A 40 8.909 -18.351 -2.096 1.00 52.03 H new ATOM 0 HA VAL A 40 9.342 -15.677 -3.243 1.00 22.12 H new ATOM 0 HB VAL A 40 11.314 -17.811 -2.326 1.00 23.23 H new ATOM 0 HG11 VAL A 40 13.034 -16.087 -2.674 1.00 64.20 H new ATOM 0 HG12 VAL A 40 12.205 -16.510 -4.191 1.00 64.20 H new ATOM 0 HG13 VAL A 40 11.799 -14.997 -3.347 1.00 64.20 H new ATOM 0 HG21 VAL A 40 11.838 -16.225 -0.517 1.00 23.21 H new ATOM 0 HG22 VAL A 40 10.553 -15.141 -1.102 1.00 23.21 H new ATOM 0 HG23 VAL A 40 10.138 -16.749 -0.464 1.00 23.21 H new ATOM 636 N ALA A 41 10.043 -16.408 -5.542 1.00 11.30 N ATOM 637 CA ALA A 41 10.232 -16.827 -6.925 1.00 64.10 C ATOM 638 C ALA A 41 11.279 -15.964 -7.622 1.00 14.10 C ATOM 639 O ALA A 41 11.751 -14.973 -7.065 1.00 31.12 O ATOM 640 CB ALA A 41 8.912 -16.772 -7.679 1.00 41.50 C ATOM 0 H ALA A 41 10.075 -15.399 -5.399 1.00 11.30 H new ATOM 0 HA ALA A 41 10.592 -17.856 -6.921 1.00 64.10 H new ATOM 0 HB1 ALA A 41 9.069 -17.088 -8.710 1.00 41.50 H new ATOM 0 HB2 ALA A 41 8.192 -17.437 -7.201 1.00 41.50 H new ATOM 0 HB3 ALA A 41 8.528 -15.752 -7.666 1.00 41.50 H new ATOM 646 N SER A 42 11.637 -16.347 -8.843 1.00 51.13 N ATOM 647 CA SER A 42 12.631 -15.610 -9.615 1.00 20.03 C ATOM 648 C SER A 42 12.484 -15.898 -11.106 1.00 1.32 C ATOM 649 O SER A 42 11.923 -16.920 -11.501 1.00 11.11 O ATOM 650 CB SER A 42 14.042 -15.976 -9.150 1.00 11.23 C ATOM 651 OG SER A 42 14.730 -16.716 -10.143 1.00 3.01 O ATOM 0 H SER A 42 11.254 -17.163 -9.319 1.00 51.13 H new ATOM 0 HA SER A 42 12.466 -14.545 -9.451 1.00 20.03 H new ATOM 0 HB2 SER A 42 14.599 -15.068 -8.918 1.00 11.23 H new ATOM 0 HB3 SER A 42 13.986 -16.559 -8.231 1.00 11.23 H new ATOM 0 HG SER A 42 15.674 -16.799 -9.894 1.00 3.01 H new ATOM 657 N LYS A 43 12.993 -14.988 -11.930 1.00 73.22 N ATOM 658 CA LYS A 43 12.921 -15.142 -13.378 1.00 73.13 C ATOM 659 C LYS A 43 14.152 -15.869 -13.910 1.00 73.21 C ATOM 660 O LYS A 43 14.406 -15.880 -15.115 1.00 11.24 O ATOM 661 CB LYS A 43 12.793 -13.774 -14.052 1.00 1.34 C ATOM 662 CG LYS A 43 11.526 -13.617 -14.875 1.00 3.32 C ATOM 663 CD LYS A 43 11.311 -12.173 -15.298 1.00 25.13 C ATOM 664 CE LYS A 43 10.652 -12.085 -16.666 1.00 24.33 C ATOM 665 NZ LYS A 43 10.651 -10.692 -17.192 1.00 61.32 N ATOM 0 H LYS A 43 13.460 -14.136 -11.619 1.00 73.22 H new ATOM 0 HA LYS A 43 12.039 -15.739 -13.611 1.00 73.13 H new ATOM 0 HB2 LYS A 43 12.818 -12.998 -13.287 1.00 1.34 H new ATOM 0 HB3 LYS A 43 13.657 -13.614 -14.697 1.00 1.34 H new ATOM 0 HG2 LYS A 43 11.585 -14.251 -15.759 1.00 3.32 H new ATOM 0 HG3 LYS A 43 10.669 -13.958 -14.294 1.00 3.32 H new ATOM 0 HD2 LYS A 43 10.690 -11.665 -14.560 1.00 25.13 H new ATOM 0 HD3 LYS A 43 12.269 -11.653 -15.320 1.00 25.13 H new ATOM 0 HE2 LYS A 43 11.177 -12.737 -17.365 1.00 24.33 H new ATOM 0 HE3 LYS A 43 9.627 -12.449 -16.599 1.00 24.33 H new ATOM 0 HZ1 LYS A 43 10.193 -10.674 -18.126 1.00 61.32 H new ATOM 0 HZ2 LYS A 43 10.129 -10.074 -16.538 1.00 61.32 H new ATOM 0 HZ3 LYS A 43 11.630 -10.353 -17.280 1.00 61.32 H new ATOM 679 N ASP A 44 14.911 -16.477 -13.005 1.00 41.41 N ATOM 680 CA ASP A 44 16.114 -17.209 -13.384 1.00 2.32 C ATOM 681 C ASP A 44 15.981 -18.689 -13.039 1.00 52.31 C ATOM 682 O ASP A 44 15.728 -19.519 -13.912 1.00 64.12 O ATOM 683 CB ASP A 44 17.338 -16.617 -12.683 1.00 65.51 C ATOM 684 CG ASP A 44 17.680 -15.229 -13.187 1.00 60.25 C ATOM 685 OD1 ASP A 44 17.053 -14.784 -14.172 1.00 20.21 O ATOM 686 OD2 ASP A 44 18.574 -14.587 -12.597 1.00 73.23 O ATOM 0 H ASP A 44 14.715 -16.477 -12.004 1.00 41.41 H new ATOM 0 HA ASP A 44 16.242 -17.116 -14.462 1.00 2.32 H new ATOM 0 HB2 ASP A 44 17.153 -16.575 -11.610 1.00 65.51 H new ATOM 0 HB3 ASP A 44 18.193 -17.276 -12.834 1.00 65.51 H new ATOM 691 N ARG A 45 16.153 -19.011 -11.761 1.00 70.44 N ATOM 692 CA ARG A 45 16.054 -20.391 -11.302 1.00 21.51 C ATOM 693 C ARG A 45 14.965 -20.535 -10.243 1.00 21.21 C ATOM 694 O ARG A 45 14.494 -21.638 -9.968 1.00 10.11 O ATOM 695 CB ARG A 45 17.396 -20.860 -10.736 1.00 32.30 C ATOM 696 CG ARG A 45 17.916 -22.136 -11.379 1.00 14.14 C ATOM 697 CD ARG A 45 19.255 -21.909 -12.062 1.00 72.45 C ATOM 698 NE ARG A 45 19.471 -22.843 -13.165 1.00 3.23 N ATOM 699 CZ ARG A 45 20.521 -22.790 -13.977 1.00 52.32 C ATOM 700 NH1 ARG A 45 21.445 -21.854 -13.812 1.00 11.54 N ATOM 701 NH2 ARG A 45 20.648 -23.675 -14.958 1.00 12.24 N ATOM 0 H ARG A 45 16.361 -18.335 -11.026 1.00 70.44 H new ATOM 0 HA ARG A 45 15.790 -21.014 -12.157 1.00 21.51 H new ATOM 0 HB2 ARG A 45 18.134 -20.069 -10.870 1.00 32.30 H new ATOM 0 HB3 ARG A 45 17.292 -21.020 -9.663 1.00 32.30 H new ATOM 0 HG2 ARG A 45 18.020 -22.911 -10.620 1.00 14.14 H new ATOM 0 HG3 ARG A 45 17.191 -22.499 -12.108 1.00 14.14 H new ATOM 0 HD2 ARG A 45 19.302 -20.887 -12.438 1.00 72.45 H new ATOM 0 HD3 ARG A 45 20.057 -22.018 -11.332 1.00 72.45 H new ATOM 0 HE ARG A 45 18.778 -23.575 -13.320 1.00 3.23 H new ATOM 0 HH11 ARG A 45 21.351 -21.172 -13.060 1.00 11.54 H new ATOM 0 HH12 ARG A 45 22.250 -21.816 -14.437 1.00 11.54 H new ATOM 0 HH21 ARG A 45 19.939 -24.397 -15.089 1.00 12.24 H new ATOM 0 HH22 ARG A 45 21.455 -23.634 -15.581 1.00 12.24 H new ATOM 715 N GLY A 46 14.570 -19.412 -9.651 1.00 40.11 N ATOM 716 CA GLY A 46 13.540 -19.435 -8.629 1.00 4.53 C ATOM 717 C GLY A 46 14.014 -20.084 -7.343 1.00 53.33 C ATOM 718 O GLY A 46 13.222 -20.321 -6.431 1.00 55.42 O ATOM 0 H GLY A 46 14.945 -18.487 -9.861 1.00 40.11 H new ATOM 0 HA2 GLY A 46 13.217 -18.415 -8.420 1.00 4.53 H new ATOM 0 HA3 GLY A 46 12.671 -19.974 -9.006 1.00 4.53 H new ATOM 722 N ASP A 47 15.308 -20.374 -7.271 1.00 1.32 N ATOM 723 CA ASP A 47 15.886 -21.000 -6.088 1.00 21.43 C ATOM 724 C ASP A 47 17.204 -20.332 -5.708 1.00 13.04 C ATOM 725 O ASP A 47 18.271 -20.938 -5.808 1.00 63.00 O ATOM 726 CB ASP A 47 16.109 -22.493 -6.333 1.00 25.41 C ATOM 727 CG ASP A 47 14.874 -23.182 -6.878 1.00 14.11 C ATOM 728 OD1 ASP A 47 13.779 -22.964 -6.319 1.00 34.43 O ATOM 729 OD2 ASP A 47 15.002 -23.939 -7.863 1.00 55.11 O ATOM 0 H ASP A 47 15.977 -20.186 -8.018 1.00 1.32 H new ATOM 0 HA ASP A 47 15.185 -20.875 -5.262 1.00 21.43 H new ATOM 0 HB2 ASP A 47 16.933 -22.624 -7.034 1.00 25.41 H new ATOM 0 HB3 ASP A 47 16.406 -22.971 -5.399 1.00 25.41 H new ATOM 734 N LEU A 48 17.122 -19.080 -5.272 1.00 14.31 N ATOM 735 CA LEU A 48 18.308 -18.328 -4.877 1.00 52.45 C ATOM 736 C LEU A 48 18.346 -18.124 -3.366 1.00 61.42 C ATOM 737 O LEU A 48 19.397 -18.255 -2.738 1.00 5.11 O ATOM 738 CB LEU A 48 18.336 -16.973 -5.587 1.00 12.53 C ATOM 739 CG LEU A 48 16.992 -16.255 -5.716 1.00 11.31 C ATOM 740 CD1 LEU A 48 17.191 -14.747 -5.725 1.00 13.04 C ATOM 741 CD2 LEU A 48 16.265 -16.706 -6.974 1.00 50.03 C ATOM 0 H LEU A 48 16.247 -18.564 -5.183 1.00 14.31 H new ATOM 0 HA LEU A 48 19.187 -18.903 -5.169 1.00 52.45 H new ATOM 0 HB2 LEU A 48 19.025 -16.319 -5.052 1.00 12.53 H new ATOM 0 HB3 LEU A 48 18.745 -17.118 -6.587 1.00 12.53 H new ATOM 0 HG LEU A 48 16.379 -16.515 -4.853 1.00 11.31 H new ATOM 0 HD11 LEU A 48 16.224 -14.253 -5.817 1.00 13.04 H new ATOM 0 HD12 LEU A 48 17.669 -14.438 -4.796 1.00 13.04 H new ATOM 0 HD13 LEU A 48 17.823 -14.468 -6.568 1.00 13.04 H new ATOM 0 HD21 LEU A 48 15.311 -16.185 -7.049 1.00 50.03 H new ATOM 0 HD22 LEU A 48 16.874 -16.476 -7.848 1.00 50.03 H new ATOM 0 HD23 LEU A 48 16.089 -17.781 -6.927 1.00 50.03 H new ATOM 753 N LEU A 49 17.193 -17.806 -2.788 1.00 62.20 N ATOM 754 CA LEU A 49 17.094 -17.587 -1.349 1.00 73.22 C ATOM 755 C LEU A 49 15.717 -17.990 -0.831 1.00 52.10 C ATOM 756 O LEU A 49 14.782 -18.180 -1.609 1.00 2.15 O ATOM 757 CB LEU A 49 17.367 -16.119 -1.017 1.00 20.32 C ATOM 758 CG LEU A 49 18.750 -15.590 -1.400 1.00 74.52 C ATOM 759 CD1 LEU A 49 18.732 -15.024 -2.811 1.00 50.23 C ATOM 760 CD2 LEU A 49 19.212 -14.535 -0.406 1.00 33.54 C ATOM 0 H LEU A 49 16.314 -17.694 -3.293 1.00 62.20 H new ATOM 0 HA LEU A 49 17.843 -18.209 -0.859 1.00 73.22 H new ATOM 0 HB2 LEU A 49 16.615 -15.508 -1.517 1.00 20.32 H new ATOM 0 HB3 LEU A 49 17.230 -15.978 0.055 1.00 20.32 H new ATOM 0 HG LEU A 49 19.456 -16.420 -1.372 1.00 74.52 H new ATOM 0 HD11 LEU A 49 19.724 -14.652 -3.067 1.00 50.23 H new ATOM 0 HD12 LEU A 49 18.446 -15.807 -3.513 1.00 50.23 H new ATOM 0 HD13 LEU A 49 18.013 -14.207 -2.866 1.00 50.23 H new ATOM 0 HD21 LEU A 49 20.198 -14.170 -0.695 1.00 33.54 H new ATOM 0 HD22 LEU A 49 18.505 -13.705 -0.401 1.00 33.54 H new ATOM 0 HD23 LEU A 49 19.265 -14.973 0.591 1.00 33.54 H new ATOM 772 N GLU A 50 15.600 -18.116 0.487 1.00 12.12 N ATOM 773 CA GLU A 50 14.336 -18.494 1.109 1.00 60.45 C ATOM 774 C GLU A 50 14.103 -17.704 2.393 1.00 52.23 C ATOM 775 O GLU A 50 15.044 -17.387 3.120 1.00 63.31 O ATOM 776 CB GLU A 50 14.320 -19.994 1.410 1.00 34.41 C ATOM 777 CG GLU A 50 12.932 -20.611 1.354 1.00 62.43 C ATOM 778 CD GLU A 50 12.282 -20.461 -0.008 1.00 14.33 C ATOM 779 OE1 GLU A 50 12.561 -21.295 -0.894 1.00 24.22 O ATOM 780 OE2 GLU A 50 11.493 -19.509 -0.187 1.00 63.11 O ATOM 0 H GLU A 50 16.364 -17.962 1.144 1.00 12.12 H new ATOM 0 HA GLU A 50 13.533 -18.262 0.410 1.00 60.45 H new ATOM 0 HB2 GLU A 50 14.965 -20.506 0.696 1.00 34.41 H new ATOM 0 HB3 GLU A 50 14.744 -20.162 2.400 1.00 34.41 H new ATOM 0 HG2 GLU A 50 12.998 -21.669 1.606 1.00 62.43 H new ATOM 0 HG3 GLU A 50 12.299 -20.143 2.108 1.00 62.43 H new ATOM 787 N VAL A 51 12.841 -17.387 2.665 1.00 73.22 N ATOM 788 CA VAL A 51 12.482 -16.634 3.861 1.00 62.23 C ATOM 789 C VAL A 51 11.906 -17.550 4.935 1.00 73.14 C ATOM 790 O VAL A 51 11.180 -18.496 4.633 1.00 31.51 O ATOM 791 CB VAL A 51 11.459 -15.528 3.542 1.00 41.13 C ATOM 792 CG1 VAL A 51 10.268 -16.102 2.789 1.00 25.34 C ATOM 793 CG2 VAL A 51 11.009 -14.834 4.819 1.00 63.52 C ATOM 0 H VAL A 51 12.050 -17.640 2.073 1.00 73.22 H new ATOM 0 HA VAL A 51 13.398 -16.175 4.233 1.00 62.23 H new ATOM 0 HB VAL A 51 11.939 -14.787 2.903 1.00 41.13 H new ATOM 0 HG11 VAL A 51 9.556 -15.305 2.573 1.00 25.34 H new ATOM 0 HG12 VAL A 51 10.609 -16.548 1.855 1.00 25.34 H new ATOM 0 HG13 VAL A 51 9.785 -16.865 3.400 1.00 25.34 H new ATOM 0 HG21 VAL A 51 10.286 -14.055 4.575 1.00 63.52 H new ATOM 0 HG22 VAL A 51 10.547 -15.562 5.485 1.00 63.52 H new ATOM 0 HG23 VAL A 51 11.871 -14.386 5.313 1.00 63.52 H new ATOM 803 N ASN A 52 12.234 -17.261 6.190 1.00 51.04 N ATOM 804 CA ASN A 52 11.748 -18.059 7.310 1.00 44.13 C ATOM 805 C ASN A 52 10.661 -17.313 8.078 1.00 62.32 C ATOM 806 O ASN A 52 10.907 -16.250 8.648 1.00 10.35 O ATOM 807 CB ASN A 52 12.903 -18.411 8.250 1.00 34.12 C ATOM 808 CG ASN A 52 12.457 -19.274 9.415 1.00 52.01 C ATOM 809 OD1 ASN A 52 11.301 -19.692 9.486 1.00 52.44 O ATOM 810 ND2 ASN A 52 13.375 -19.545 10.336 1.00 55.04 N ATOM 0 H ASN A 52 12.834 -16.481 6.457 1.00 51.04 H new ATOM 0 HA ASN A 52 11.320 -18.978 6.911 1.00 44.13 H new ATOM 0 HB2 ASN A 52 13.678 -18.934 7.689 1.00 34.12 H new ATOM 0 HB3 ASN A 52 13.350 -17.493 8.631 1.00 34.12 H new ATOM 0 HD21 ASN A 52 13.134 -20.121 11.143 1.00 55.04 H new ATOM 0 HD22 ASN A 52 14.321 -19.177 10.237 1.00 55.04 H new ATOM 817 N LEU A 53 9.459 -17.878 8.089 1.00 70.44 N ATOM 818 CA LEU A 53 8.333 -17.268 8.787 1.00 21.23 C ATOM 819 C LEU A 53 8.599 -17.194 10.287 1.00 11.54 C ATOM 820 O LEU A 53 7.909 -16.480 11.014 1.00 15.13 O ATOM 821 CB LEU A 53 7.053 -18.063 8.524 1.00 53.33 C ATOM 822 CG LEU A 53 6.594 -18.132 7.067 1.00 70.23 C ATOM 823 CD1 LEU A 53 7.138 -19.383 6.395 1.00 61.32 C ATOM 824 CD2 LEU A 53 5.075 -18.098 6.984 1.00 51.24 C ATOM 0 H LEU A 53 9.239 -18.758 7.622 1.00 70.44 H new ATOM 0 HA LEU A 53 8.208 -16.254 8.407 1.00 21.23 H new ATOM 0 HB2 LEU A 53 7.200 -19.080 8.886 1.00 53.33 H new ATOM 0 HB3 LEU A 53 6.249 -17.626 9.117 1.00 53.33 H new ATOM 0 HG LEU A 53 6.986 -17.262 6.541 1.00 70.23 H new ATOM 0 HD11 LEU A 53 6.801 -19.415 5.359 1.00 61.32 H new ATOM 0 HD12 LEU A 53 8.228 -19.366 6.422 1.00 61.32 H new ATOM 0 HD13 LEU A 53 6.776 -20.266 6.922 1.00 61.32 H new ATOM 0 HD21 LEU A 53 4.766 -18.148 5.940 1.00 51.24 H new ATOM 0 HD22 LEU A 53 4.662 -18.949 7.526 1.00 51.24 H new ATOM 0 HD23 LEU A 53 4.707 -17.173 7.427 1.00 51.24 H new ATOM 836 N GLN A 54 9.605 -17.933 10.742 1.00 20.44 N ATOM 837 CA GLN A 54 9.963 -17.949 12.156 1.00 73.21 C ATOM 838 C GLN A 54 10.150 -16.531 12.686 1.00 60.41 C ATOM 839 O GLN A 54 9.446 -16.102 13.598 1.00 12.44 O ATOM 840 CB GLN A 54 11.242 -18.760 12.371 1.00 52.11 C ATOM 841 CG GLN A 54 11.547 -19.039 13.834 1.00 54.11 C ATOM 842 CD GLN A 54 11.450 -20.512 14.180 1.00 50.24 C ATOM 843 OE1 GLN A 54 10.638 -20.914 15.014 1.00 43.51 O ATOM 844 NE2 GLN A 54 12.280 -21.326 13.538 1.00 33.32 N ATOM 0 H GLN A 54 10.187 -18.529 10.153 1.00 20.44 H new ATOM 0 HA GLN A 54 9.147 -18.418 12.706 1.00 73.21 H new ATOM 0 HB2 GLN A 54 11.155 -19.708 11.840 1.00 52.11 H new ATOM 0 HB3 GLN A 54 12.081 -18.223 11.930 1.00 52.11 H new ATOM 0 HG2 GLN A 54 12.550 -18.680 14.067 1.00 54.11 H new ATOM 0 HG3 GLN A 54 10.854 -18.476 14.459 1.00 54.11 H new ATOM 0 HE21 GLN A 54 12.937 -20.949 12.855 1.00 33.32 H new ATOM 0 HE22 GLN A 54 12.261 -22.328 13.728 1.00 33.32 H new ATOM 853 N ASN A 55 11.105 -15.810 12.107 1.00 14.03 N ATOM 854 CA ASN A 55 11.385 -14.440 12.522 1.00 23.33 C ATOM 855 C ASN A 55 11.119 -13.461 11.383 1.00 60.30 C ATOM 856 O ASN A 55 10.932 -12.266 11.608 1.00 20.42 O ATOM 857 CB ASN A 55 12.837 -14.314 12.989 1.00 32.24 C ATOM 858 CG ASN A 55 12.945 -14.094 14.486 1.00 45.41 C ATOM 859 OD1 ASN A 55 13.410 -14.965 15.221 1.00 71.21 O ATOM 860 ND2 ASN A 55 12.516 -12.924 14.944 1.00 50.50 N ATOM 0 H ASN A 55 11.697 -16.151 11.350 1.00 14.03 H new ATOM 0 HA ASN A 55 10.721 -14.195 13.350 1.00 23.33 H new ATOM 0 HB2 ASN A 55 13.383 -15.217 12.717 1.00 32.24 H new ATOM 0 HB3 ASN A 55 13.313 -13.484 12.467 1.00 32.24 H new ATOM 0 HD21 ASN A 55 12.565 -12.718 15.942 1.00 50.50 H new ATOM 0 HD22 ASN A 55 12.138 -12.231 14.298 1.00 50.50 H new ATOM 867 N GLY A 56 11.103 -13.978 10.158 1.00 50.53 N ATOM 868 CA GLY A 56 10.859 -13.136 9.001 1.00 15.31 C ATOM 869 C GLY A 56 12.105 -12.923 8.165 1.00 72.31 C ATOM 870 O GLY A 56 12.021 -12.502 7.011 1.00 63.33 O ATOM 0 H GLY A 56 11.255 -14.964 9.946 1.00 50.53 H new ATOM 0 HA2 GLY A 56 10.084 -13.589 8.383 1.00 15.31 H new ATOM 0 HA3 GLY A 56 10.478 -12.170 9.333 1.00 15.31 H new ATOM 874 N ILE A 57 13.263 -13.213 8.748 1.00 61.22 N ATOM 875 CA ILE A 57 14.532 -13.051 8.048 1.00 15.34 C ATOM 876 C ILE A 57 14.783 -14.210 7.090 1.00 41.43 C ATOM 877 O ILE A 57 14.488 -15.364 7.402 1.00 13.24 O ATOM 878 CB ILE A 57 15.710 -12.950 9.035 1.00 33.42 C ATOM 879 CG1 ILE A 57 15.603 -11.668 9.863 1.00 53.25 C ATOM 880 CG2 ILE A 57 17.033 -12.995 8.286 1.00 22.22 C ATOM 881 CD1 ILE A 57 15.844 -10.409 9.059 1.00 13.24 C ATOM 0 H ILE A 57 13.349 -13.561 9.703 1.00 61.22 H new ATOM 0 HA ILE A 57 14.464 -12.123 7.481 1.00 15.34 H new ATOM 0 HB ILE A 57 15.670 -13.802 9.714 1.00 33.42 H new ATOM 0 HG12 ILE A 57 14.612 -11.618 10.314 1.00 53.25 H new ATOM 0 HG13 ILE A 57 16.323 -11.711 10.680 1.00 53.25 H new ATOM 0 HG21 ILE A 57 17.856 -12.923 8.997 1.00 22.22 H new ATOM 0 HG22 ILE A 57 17.109 -13.934 7.737 1.00 22.22 H new ATOM 0 HG23 ILE A 57 17.083 -12.161 7.586 1.00 22.22 H new ATOM 0 HD11 ILE A 57 15.752 -9.539 9.709 1.00 13.24 H new ATOM 0 HD12 ILE A 57 16.846 -10.438 8.630 1.00 13.24 H new ATOM 0 HD13 ILE A 57 15.108 -10.342 8.258 1.00 13.24 H new ATOM 893 N LEU A 58 15.332 -13.895 5.922 1.00 71.14 N ATOM 894 CA LEU A 58 15.626 -14.911 4.916 1.00 11.43 C ATOM 895 C LEU A 58 17.118 -15.227 4.882 1.00 33.22 C ATOM 896 O LEU A 58 17.954 -14.350 5.096 1.00 3.41 O ATOM 897 CB LEU A 58 15.161 -14.441 3.537 1.00 50.41 C ATOM 898 CG LEU A 58 15.621 -13.046 3.113 1.00 44.52 C ATOM 899 CD1 LEU A 58 16.301 -13.098 1.753 1.00 32.02 C ATOM 900 CD2 LEU A 58 14.445 -12.081 3.086 1.00 12.22 C ATOM 0 H LEU A 58 15.583 -12.945 5.648 1.00 71.14 H new ATOM 0 HA LEU A 58 15.087 -15.820 5.184 1.00 11.43 H new ATOM 0 HB2 LEU A 58 15.510 -15.158 2.794 1.00 50.41 H new ATOM 0 HB3 LEU A 58 14.071 -14.465 3.516 1.00 50.41 H new ATOM 0 HG LEU A 58 16.344 -12.686 3.845 1.00 44.52 H new ATOM 0 HD11 LEU A 58 16.622 -12.096 1.468 1.00 32.02 H new ATOM 0 HD12 LEU A 58 17.169 -13.756 1.805 1.00 32.02 H new ATOM 0 HD13 LEU A 58 15.600 -13.480 1.010 1.00 32.02 H new ATOM 0 HD21 LEU A 58 14.792 -11.093 2.782 1.00 12.22 H new ATOM 0 HD22 LEU A 58 13.698 -12.437 2.377 1.00 12.22 H new ATOM 0 HD23 LEU A 58 14.002 -12.020 4.080 1.00 12.22 H new ATOM 912 N PHE A 59 17.444 -16.486 4.610 1.00 70.33 N ATOM 913 CA PHE A 59 18.835 -16.919 4.546 1.00 42.20 C ATOM 914 C PHE A 59 19.219 -17.309 3.121 1.00 13.25 C ATOM 915 O PHE A 59 18.359 -17.451 2.252 1.00 41.43 O ATOM 916 CB PHE A 59 19.068 -18.100 5.490 1.00 10.14 C ATOM 917 CG PHE A 59 18.040 -19.187 5.356 1.00 50.32 C ATOM 918 CD1 PHE A 59 16.878 -19.157 6.110 1.00 3.14 C ATOM 919 CD2 PHE A 59 18.236 -20.238 4.475 1.00 34.32 C ATOM 920 CE1 PHE A 59 15.930 -20.155 5.989 1.00 60.12 C ATOM 921 CE2 PHE A 59 17.291 -21.239 4.349 1.00 72.10 C ATOM 922 CZ PHE A 59 16.137 -21.198 5.108 1.00 62.24 C ATOM 0 H PHE A 59 16.764 -17.225 4.430 1.00 70.33 H new ATOM 0 HA PHE A 59 19.463 -16.084 4.857 1.00 42.20 H new ATOM 0 HB2 PHE A 59 20.056 -18.519 5.297 1.00 10.14 H new ATOM 0 HB3 PHE A 59 19.070 -17.738 6.518 1.00 10.14 H new ATOM 0 HD1 PHE A 59 16.711 -18.344 6.801 1.00 3.14 H new ATOM 0 HD2 PHE A 59 19.137 -20.276 3.880 1.00 34.32 H new ATOM 0 HE1 PHE A 59 15.028 -20.119 6.583 1.00 60.12 H new ATOM 0 HE2 PHE A 59 17.455 -22.053 3.658 1.00 72.10 H new ATOM 0 HZ PHE A 59 15.398 -21.980 5.012 1.00 62.24 H new ATOM 932 N VAL A 60 20.516 -17.480 2.890 1.00 25.13 N ATOM 933 CA VAL A 60 21.015 -17.854 1.572 1.00 24.23 C ATOM 934 C VAL A 60 20.582 -19.268 1.201 1.00 14.14 C ATOM 935 O VAL A 60 20.530 -20.155 2.052 1.00 74.21 O ATOM 936 CB VAL A 60 22.552 -17.767 1.508 1.00 12.12 C ATOM 937 CG1 VAL A 60 23.063 -18.307 0.181 1.00 14.11 C ATOM 938 CG2 VAL A 60 23.013 -16.333 1.723 1.00 70.31 C ATOM 0 H VAL A 60 21.241 -17.366 3.598 1.00 25.13 H new ATOM 0 HA VAL A 60 20.588 -17.147 0.860 1.00 24.23 H new ATOM 0 HB VAL A 60 22.967 -18.382 2.307 1.00 12.12 H new ATOM 0 HG11 VAL A 60 24.150 -18.237 0.154 1.00 14.11 H new ATOM 0 HG12 VAL A 60 22.763 -19.349 0.073 1.00 14.11 H new ATOM 0 HG13 VAL A 60 22.642 -17.722 -0.636 1.00 14.11 H new ATOM 0 HG21 VAL A 60 24.101 -16.289 1.675 1.00 70.31 H new ATOM 0 HG22 VAL A 60 22.590 -15.695 0.948 1.00 70.31 H new ATOM 0 HG23 VAL A 60 22.679 -15.986 2.701 1.00 70.31 H new ATOM 948 N ASN A 61 20.271 -19.470 -0.075 1.00 64.01 N ATOM 949 CA ASN A 61 19.842 -20.777 -0.560 1.00 11.25 C ATOM 950 C ASN A 61 20.488 -21.098 -1.904 1.00 1.12 C ATOM 951 O ASN A 61 20.007 -21.953 -2.647 1.00 32.10 O ATOM 952 CB ASN A 61 18.318 -20.820 -0.690 1.00 41.23 C ATOM 953 CG ASN A 61 17.790 -22.233 -0.842 1.00 24.55 C ATOM 954 OD1 ASN A 61 17.577 -22.712 -1.955 1.00 62.54 O ATOM 955 ND2 ASN A 61 17.577 -22.908 0.282 1.00 31.50 N ATOM 0 H ASN A 61 20.308 -18.745 -0.792 1.00 64.01 H new ATOM 0 HA ASN A 61 20.160 -21.528 0.163 1.00 11.25 H new ATOM 0 HB2 ASN A 61 17.868 -20.360 0.190 1.00 41.23 H new ATOM 0 HB3 ASN A 61 18.013 -20.226 -1.552 1.00 41.23 H new ATOM 0 HD21 ASN A 61 17.223 -23.864 0.244 1.00 31.50 H new ATOM 0 HD22 ASN A 61 17.768 -22.471 1.184 1.00 31.50 H new ATOM 962 N SER A 62 21.581 -20.406 -2.209 1.00 25.41 N ATOM 963 CA SER A 62 22.292 -20.615 -3.465 1.00 24.32 C ATOM 964 C SER A 62 23.731 -20.118 -3.364 1.00 1.21 C ATOM 965 O SER A 62 24.168 -19.659 -2.309 1.00 1.45 O ATOM 966 CB SER A 62 21.572 -19.899 -4.608 1.00 50.54 C ATOM 967 OG SER A 62 20.828 -20.813 -5.395 1.00 45.24 O ATOM 0 H SER A 62 21.993 -19.696 -1.604 1.00 25.41 H new ATOM 0 HA SER A 62 22.310 -21.685 -3.670 1.00 24.32 H new ATOM 0 HB2 SER A 62 20.906 -19.138 -4.202 1.00 50.54 H new ATOM 0 HB3 SER A 62 22.300 -19.384 -5.234 1.00 50.54 H new ATOM 0 HG SER A 62 19.898 -20.830 -5.085 1.00 45.24 H new ATOM 973 N ARG A 63 24.462 -20.213 -4.470 1.00 24.05 N ATOM 974 CA ARG A 63 25.852 -19.774 -4.506 1.00 62.34 C ATOM 975 C ARG A 63 25.942 -18.251 -4.512 1.00 74.14 C ATOM 976 O ARG A 63 25.363 -17.589 -5.375 1.00 24.11 O ATOM 977 CB ARG A 63 26.556 -20.342 -5.741 1.00 11.05 C ATOM 978 CG ARG A 63 26.320 -21.829 -5.946 1.00 31.42 C ATOM 979 CD ARG A 63 25.392 -22.089 -7.123 1.00 23.15 C ATOM 980 NE ARG A 63 24.359 -23.069 -6.799 1.00 71.00 N ATOM 981 CZ ARG A 63 23.624 -23.691 -7.714 1.00 21.50 C ATOM 982 NH1 ARG A 63 23.809 -23.437 -9.002 1.00 75.41 N ATOM 983 NH2 ARG A 63 22.703 -24.571 -7.341 1.00 51.40 N ATOM 0 H ARG A 63 24.115 -20.590 -5.352 1.00 24.05 H new ATOM 0 HA ARG A 63 26.348 -20.146 -3.609 1.00 62.34 H new ATOM 0 HB2 ARG A 63 26.213 -19.803 -6.624 1.00 11.05 H new ATOM 0 HB3 ARG A 63 27.627 -20.161 -5.653 1.00 11.05 H new ATOM 0 HG2 ARG A 63 27.273 -22.330 -6.115 1.00 31.42 H new ATOM 0 HG3 ARG A 63 25.891 -22.259 -5.041 1.00 31.42 H new ATOM 0 HD2 ARG A 63 24.922 -21.154 -7.427 1.00 23.15 H new ATOM 0 HD3 ARG A 63 25.975 -22.444 -7.973 1.00 23.15 H new ATOM 0 HE ARG A 63 24.193 -23.288 -5.817 1.00 71.00 H new ATOM 0 HH11 ARG A 63 24.517 -22.763 -9.292 1.00 75.41 H new ATOM 0 HH12 ARG A 63 23.243 -23.916 -9.703 1.00 75.41 H new ATOM 0 HH21 ARG A 63 22.559 -24.770 -6.351 1.00 51.40 H new ATOM 0 HH22 ARG A 63 22.139 -25.048 -8.044 1.00 51.40 H new ATOM 997 N ILE A 64 26.669 -17.702 -3.545 1.00 73.50 N ATOM 998 CA ILE A 64 26.834 -16.258 -3.440 1.00 32.13 C ATOM 999 C ILE A 64 28.250 -15.838 -3.819 1.00 13.54 C ATOM 1000 O ILE A 64 28.504 -14.669 -4.113 1.00 34.31 O ATOM 1001 CB ILE A 64 26.526 -15.759 -2.016 1.00 14.42 C ATOM 1002 CG1 ILE A 64 25.198 -16.339 -1.525 1.00 12.34 C ATOM 1003 CG2 ILE A 64 26.490 -14.238 -1.984 1.00 54.12 C ATOM 1004 CD1 ILE A 64 24.027 -16.014 -2.425 1.00 74.43 C ATOM 0 H ILE A 64 27.153 -18.236 -2.823 1.00 73.50 H new ATOM 0 HA ILE A 64 26.126 -15.807 -4.135 1.00 32.13 H new ATOM 0 HB ILE A 64 27.318 -16.098 -1.349 1.00 14.42 H new ATOM 0 HG12 ILE A 64 25.292 -17.422 -1.442 1.00 12.34 H new ATOM 0 HG13 ILE A 64 24.993 -15.959 -0.524 1.00 12.34 H new ATOM 0 HG21 ILE A 64 26.271 -13.900 -0.971 1.00 54.12 H new ATOM 0 HG22 ILE A 64 27.457 -13.845 -2.297 1.00 54.12 H new ATOM 0 HG23 ILE A 64 25.716 -13.878 -2.662 1.00 54.12 H new ATOM 0 HD11 ILE A 64 23.119 -16.457 -2.015 1.00 74.43 H new ATOM 0 HD12 ILE A 64 23.906 -14.933 -2.489 1.00 74.43 H new ATOM 0 HD13 ILE A 64 24.210 -16.418 -3.421 1.00 74.43 H new ATOM 1016 N ASP A 65 29.168 -16.797 -3.811 1.00 30.42 N ATOM 1017 CA ASP A 65 30.559 -16.528 -4.157 1.00 12.13 C ATOM 1018 C ASP A 65 30.653 -15.770 -5.477 1.00 42.12 C ATOM 1019 O ASP A 65 29.910 -16.048 -6.418 1.00 53.33 O ATOM 1020 CB ASP A 65 31.347 -17.836 -4.248 1.00 13.33 C ATOM 1021 CG ASP A 65 31.068 -18.762 -3.080 1.00 5.52 C ATOM 1022 OD1 ASP A 65 29.997 -19.403 -3.074 1.00 2.01 O ATOM 1023 OD2 ASP A 65 31.922 -18.844 -2.171 1.00 73.13 O ATOM 0 H ASP A 65 28.974 -17.769 -3.569 1.00 30.42 H new ATOM 0 HA ASP A 65 30.990 -15.908 -3.371 1.00 12.13 H new ATOM 0 HB2 ASP A 65 31.096 -18.344 -5.179 1.00 13.33 H new ATOM 0 HB3 ASP A 65 32.413 -17.613 -4.284 1.00 13.33 H new ATOM 1028 N ARG A 66 31.571 -14.811 -5.539 1.00 24.02 N ATOM 1029 CA ARG A 66 31.761 -14.011 -6.743 1.00 23.40 C ATOM 1030 C ARG A 66 31.903 -14.905 -7.972 1.00 51.50 C ATOM 1031 O ARG A 66 31.454 -14.552 -9.062 1.00 15.21 O ATOM 1032 CB ARG A 66 32.998 -13.122 -6.600 1.00 51.05 C ATOM 1033 CG ARG A 66 34.202 -13.842 -6.016 1.00 30.21 C ATOM 1034 CD ARG A 66 35.505 -13.183 -6.439 1.00 41.42 C ATOM 1035 NE ARG A 66 36.589 -14.152 -6.580 1.00 14.41 N ATOM 1036 CZ ARG A 66 37.839 -13.818 -6.881 1.00 13.22 C ATOM 1037 NH1 ARG A 66 38.161 -12.546 -7.071 1.00 42.02 N ATOM 1038 NH2 ARG A 66 38.769 -14.757 -6.991 1.00 62.34 N ATOM 0 H ARG A 66 32.195 -14.569 -4.769 1.00 24.02 H new ATOM 0 HA ARG A 66 30.882 -13.380 -6.873 1.00 23.40 H new ATOM 0 HB2 ARG A 66 33.264 -12.723 -7.579 1.00 51.05 H new ATOM 0 HB3 ARG A 66 32.752 -12.271 -5.965 1.00 51.05 H new ATOM 0 HG2 ARG A 66 34.132 -13.847 -4.928 1.00 30.21 H new ATOM 0 HG3 ARG A 66 34.197 -14.883 -6.340 1.00 30.21 H new ATOM 0 HD2 ARG A 66 35.358 -12.664 -7.386 1.00 41.42 H new ATOM 0 HD3 ARG A 66 35.786 -12.430 -5.703 1.00 41.42 H new ATOM 0 HE ARG A 66 36.374 -15.139 -6.440 1.00 14.41 H new ATOM 0 HH11 ARG A 66 37.448 -11.821 -6.986 1.00 42.02 H new ATOM 0 HH12 ARG A 66 39.122 -12.292 -7.302 1.00 42.02 H new ATOM 0 HH21 ARG A 66 38.525 -15.736 -6.844 1.00 62.34 H new ATOM 0 HH22 ARG A 66 39.729 -14.500 -7.222 1.00 62.34 H new ATOM 1052 N GLU A 67 32.531 -16.062 -7.787 1.00 52.43 N ATOM 1053 CA GLU A 67 32.732 -17.004 -8.882 1.00 3.22 C ATOM 1054 C GLU A 67 31.396 -17.457 -9.463 1.00 30.14 C ATOM 1055 O GLU A 67 31.222 -17.507 -10.680 1.00 21.23 O ATOM 1056 CB GLU A 67 33.529 -18.218 -8.399 1.00 41.31 C ATOM 1057 CG GLU A 67 32.916 -18.907 -7.192 1.00 31.40 C ATOM 1058 CD GLU A 67 33.814 -19.985 -6.617 1.00 4.01 C ATOM 1059 OE1 GLU A 67 34.951 -20.136 -7.110 1.00 44.13 O ATOM 1060 OE2 GLU A 67 33.380 -20.677 -5.673 1.00 32.34 O ATOM 0 H GLU A 67 32.909 -16.369 -6.891 1.00 52.43 H new ATOM 0 HA GLU A 67 33.295 -16.496 -9.665 1.00 3.22 H new ATOM 0 HB2 GLU A 67 33.610 -18.937 -9.215 1.00 41.31 H new ATOM 0 HB3 GLU A 67 34.542 -17.902 -8.151 1.00 41.31 H new ATOM 0 HG2 GLU A 67 32.707 -18.165 -6.422 1.00 31.40 H new ATOM 0 HG3 GLU A 67 31.961 -19.349 -7.477 1.00 31.40 H new ATOM 1067 N GLU A 68 30.456 -17.787 -8.582 1.00 51.52 N ATOM 1068 CA GLU A 68 29.136 -18.237 -9.008 1.00 20.13 C ATOM 1069 C GLU A 68 28.235 -17.050 -9.334 1.00 50.35 C ATOM 1070 O GLU A 68 27.707 -16.943 -10.442 1.00 42.53 O ATOM 1071 CB GLU A 68 28.491 -19.097 -7.919 1.00 14.32 C ATOM 1072 CG GLU A 68 28.903 -20.558 -7.973 1.00 21.14 C ATOM 1073 CD GLU A 68 29.968 -20.902 -6.949 1.00 40.23 C ATOM 1074 OE1 GLU A 68 29.916 -20.348 -5.831 1.00 32.11 O ATOM 1075 OE2 GLU A 68 30.853 -21.723 -7.266 1.00 62.43 O ATOM 0 H GLU A 68 30.584 -17.751 -7.571 1.00 51.52 H new ATOM 0 HA GLU A 68 29.258 -18.836 -9.910 1.00 20.13 H new ATOM 0 HB2 GLU A 68 28.755 -18.690 -6.943 1.00 14.32 H new ATOM 0 HB3 GLU A 68 27.407 -19.030 -8.010 1.00 14.32 H new ATOM 0 HG2 GLU A 68 28.027 -21.185 -7.806 1.00 21.14 H new ATOM 0 HG3 GLU A 68 29.275 -20.790 -8.971 1.00 21.14 H new ATOM 1082 N LEU A 69 28.063 -16.160 -8.363 1.00 31.42 N ATOM 1083 CA LEU A 69 27.225 -14.980 -8.546 1.00 22.15 C ATOM 1084 C LEU A 69 27.554 -14.277 -9.859 1.00 1.15 C ATOM 1085 O LEU A 69 26.802 -14.367 -10.829 1.00 73.41 O ATOM 1086 CB LEU A 69 27.411 -14.013 -7.375 1.00 51.42 C ATOM 1087 CG LEU A 69 26.221 -13.871 -6.426 1.00 35.20 C ATOM 1088 CD1 LEU A 69 26.515 -12.837 -5.350 1.00 65.43 C ATOM 1089 CD2 LEU A 69 24.964 -13.496 -7.198 1.00 61.43 C ATOM 0 H LEU A 69 28.493 -16.233 -7.441 1.00 31.42 H new ATOM 0 HA LEU A 69 26.185 -15.304 -8.580 1.00 22.15 H new ATOM 0 HB2 LEU A 69 28.275 -14.338 -6.796 1.00 51.42 H new ATOM 0 HB3 LEU A 69 27.649 -13.028 -7.777 1.00 51.42 H new ATOM 0 HG LEU A 69 26.053 -14.832 -5.941 1.00 35.20 H new ATOM 0 HD11 LEU A 69 25.656 -12.750 -4.684 1.00 65.43 H new ATOM 0 HD12 LEU A 69 27.389 -13.147 -4.777 1.00 65.43 H new ATOM 0 HD13 LEU A 69 26.711 -11.872 -5.817 1.00 65.43 H new ATOM 0 HD21 LEU A 69 24.127 -13.399 -6.506 1.00 61.43 H new ATOM 0 HD22 LEU A 69 25.122 -12.548 -7.711 1.00 61.43 H new ATOM 0 HD23 LEU A 69 24.741 -14.272 -7.930 1.00 61.43 H new ATOM 1101 N CYS A 70 28.684 -13.578 -9.882 1.00 52.35 N ATOM 1102 CA CYS A 70 29.114 -12.860 -11.076 1.00 65.22 C ATOM 1103 C CYS A 70 30.618 -12.602 -11.043 1.00 62.51 C ATOM 1104 O CYS A 70 31.338 -12.942 -11.981 1.00 73.24 O ATOM 1105 CB CYS A 70 28.361 -11.534 -11.199 1.00 63.22 C ATOM 1106 SG CYS A 70 27.985 -10.742 -9.603 1.00 35.25 S ATOM 0 H CYS A 70 29.318 -13.494 -9.088 1.00 52.35 H new ATOM 0 HA CYS A 70 28.888 -13.480 -11.943 1.00 65.22 H new ATOM 0 HB2 CYS A 70 28.953 -10.847 -11.803 1.00 63.22 H new ATOM 0 HB3 CYS A 70 27.428 -11.707 -11.736 1.00 63.22 H new ATOM 1111 N GLY A 71 31.086 -11.999 -9.954 1.00 70.24 N ATOM 1112 CA GLY A 71 32.501 -11.706 -9.819 1.00 32.23 C ATOM 1113 C GLY A 71 32.989 -10.712 -10.854 1.00 30.40 C ATOM 1114 O GLY A 71 34.194 -10.548 -11.046 1.00 52.24 O ATOM 0 H GLY A 71 30.511 -11.708 -9.163 1.00 70.24 H new ATOM 0 HA2 GLY A 71 32.693 -11.311 -8.821 1.00 32.23 H new ATOM 0 HA3 GLY A 71 33.071 -12.631 -9.911 1.00 32.23 H new ATOM 1118 N ARG A 72 32.052 -10.049 -11.524 1.00 32.35 N ATOM 1119 CA ARG A 72 32.393 -9.069 -12.547 1.00 3.20 C ATOM 1120 C ARG A 72 32.840 -7.755 -11.913 1.00 43.42 C ATOM 1121 O ARG A 72 34.028 -7.433 -11.900 1.00 43.31 O ATOM 1122 CB ARG A 72 31.196 -8.822 -13.467 1.00 63.41 C ATOM 1123 CG ARG A 72 31.123 -9.784 -14.642 1.00 43.21 C ATOM 1124 CD ARG A 72 29.902 -10.685 -14.550 1.00 30.05 C ATOM 1125 NE ARG A 72 29.499 -11.197 -15.857 1.00 11.43 N ATOM 1126 CZ ARG A 72 28.800 -10.490 -16.739 1.00 24.43 C ATOM 1127 NH1 ARG A 72 28.430 -9.249 -16.455 1.00 71.41 N ATOM 1128 NH2 ARG A 72 28.471 -11.025 -17.908 1.00 25.54 N ATOM 0 H ARG A 72 31.050 -10.173 -11.376 1.00 32.35 H new ATOM 0 HA ARG A 72 33.219 -9.468 -13.136 1.00 3.20 H new ATOM 0 HB2 ARG A 72 30.278 -8.903 -12.885 1.00 63.41 H new ATOM 0 HB3 ARG A 72 31.244 -7.801 -13.846 1.00 63.41 H new ATOM 0 HG2 ARG A 72 31.091 -9.220 -15.574 1.00 43.21 H new ATOM 0 HG3 ARG A 72 32.026 -10.394 -14.670 1.00 43.21 H new ATOM 0 HD2 ARG A 72 30.118 -11.521 -13.884 1.00 30.05 H new ATOM 0 HD3 ARG A 72 29.075 -10.130 -14.107 1.00 30.05 H new ATOM 0 HE ARG A 72 29.769 -12.149 -16.106 1.00 11.43 H new ATOM 0 HH11 ARG A 72 28.682 -8.834 -15.558 1.00 71.41 H new ATOM 0 HH12 ARG A 72 27.894 -8.709 -17.134 1.00 71.41 H new ATOM 0 HH21 ARG A 72 28.755 -11.979 -18.130 1.00 25.54 H new ATOM 0 HH22 ARG A 72 27.935 -10.482 -18.584 1.00 25.54 H new ATOM 1142 N SER A 73 31.880 -6.999 -11.389 1.00 60.53 N ATOM 1143 CA SER A 73 32.174 -5.718 -10.758 1.00 31.31 C ATOM 1144 C SER A 73 32.000 -5.806 -9.245 1.00 1.13 C ATOM 1145 O SER A 73 31.208 -6.604 -8.745 1.00 70.31 O ATOM 1146 CB SER A 73 31.265 -4.626 -11.325 1.00 31.13 C ATOM 1147 OG SER A 73 31.878 -3.352 -11.229 1.00 71.01 O ATOM 0 H SER A 73 30.892 -7.252 -11.389 1.00 60.53 H new ATOM 0 HA SER A 73 33.212 -5.464 -10.973 1.00 31.31 H new ATOM 0 HB2 SER A 73 31.035 -4.845 -12.368 1.00 31.13 H new ATOM 0 HB3 SER A 73 30.318 -4.619 -10.785 1.00 31.13 H new ATOM 0 HG SER A 73 31.278 -2.672 -11.599 1.00 71.01 H new ATOM 1153 N ALA A 74 32.747 -4.979 -8.521 1.00 1.32 N ATOM 1154 CA ALA A 74 32.675 -4.960 -7.065 1.00 60.21 C ATOM 1155 C ALA A 74 31.233 -4.823 -6.589 1.00 30.54 C ATOM 1156 O ALA A 74 30.875 -5.315 -5.519 1.00 14.53 O ATOM 1157 CB ALA A 74 33.526 -3.828 -6.509 1.00 23.51 C ATOM 0 H ALA A 74 33.409 -4.313 -8.919 1.00 1.32 H new ATOM 0 HA ALA A 74 33.064 -5.908 -6.694 1.00 60.21 H new ATOM 0 HB1 ALA A 74 33.463 -3.826 -5.421 1.00 23.51 H new ATOM 0 HB2 ALA A 74 34.563 -3.970 -6.812 1.00 23.51 H new ATOM 0 HB3 ALA A 74 33.162 -2.876 -6.895 1.00 23.51 H new ATOM 1163 N GLU A 75 30.411 -4.153 -7.390 1.00 12.25 N ATOM 1164 CA GLU A 75 29.008 -3.951 -7.047 1.00 51.21 C ATOM 1165 C GLU A 75 28.100 -4.738 -7.987 1.00 54.13 C ATOM 1166 O GLU A 75 27.917 -4.367 -9.147 1.00 72.22 O ATOM 1167 CB GLU A 75 28.655 -2.463 -7.106 1.00 33.12 C ATOM 1168 CG GLU A 75 28.189 -1.895 -5.776 1.00 23.14 C ATOM 1169 CD GLU A 75 27.012 -0.951 -5.924 1.00 70.02 C ATOM 1170 OE1 GLU A 75 25.874 -1.442 -6.075 1.00 33.51 O ATOM 1171 OE2 GLU A 75 27.228 0.278 -5.890 1.00 44.22 O ATOM 0 H GLU A 75 30.692 -3.741 -8.280 1.00 12.25 H new ATOM 0 HA GLU A 75 28.853 -4.314 -6.031 1.00 51.21 H new ATOM 0 HB2 GLU A 75 29.528 -1.904 -7.444 1.00 33.12 H new ATOM 0 HB3 GLU A 75 27.872 -2.313 -7.850 1.00 33.12 H new ATOM 0 HG2 GLU A 75 27.911 -2.714 -5.113 1.00 23.14 H new ATOM 0 HG3 GLU A 75 29.016 -1.367 -5.301 1.00 23.14 H new ATOM 1178 N CYS A 76 27.533 -5.827 -7.479 1.00 10.02 N ATOM 1179 CA CYS A 76 26.645 -6.668 -8.271 1.00 75.43 C ATOM 1180 C CYS A 76 25.210 -6.580 -7.758 1.00 2.30 C ATOM 1181 O CYS A 76 24.947 -6.810 -6.578 1.00 32.12 O ATOM 1182 CB CYS A 76 27.121 -8.122 -8.238 1.00 73.02 C ATOM 1183 SG CYS A 76 27.440 -8.837 -9.883 1.00 23.21 S ATOM 0 H CYS A 76 27.673 -6.148 -6.521 1.00 10.02 H new ATOM 0 HA CYS A 76 26.667 -6.308 -9.300 1.00 75.43 H new ATOM 0 HB2 CYS A 76 28.033 -8.181 -7.645 1.00 73.02 H new ATOM 0 HB3 CYS A 76 26.371 -8.727 -7.730 1.00 73.02 H new ATOM 1188 N SER A 77 24.287 -6.244 -8.653 1.00 72.44 N ATOM 1189 CA SER A 77 22.880 -6.122 -8.291 1.00 53.41 C ATOM 1190 C SER A 77 22.111 -7.387 -8.661 1.00 40.53 C ATOM 1191 O SER A 77 22.422 -8.047 -9.653 1.00 1.10 O ATOM 1192 CB SER A 77 22.256 -4.910 -8.987 1.00 31.23 C ATOM 1193 OG SER A 77 22.164 -5.117 -10.386 1.00 3.33 O ATOM 0 H SER A 77 24.488 -6.051 -9.634 1.00 72.44 H new ATOM 0 HA SER A 77 22.819 -5.984 -7.211 1.00 53.41 H new ATOM 0 HB2 SER A 77 21.263 -4.723 -8.578 1.00 31.23 H new ATOM 0 HB3 SER A 77 22.856 -4.022 -8.786 1.00 31.23 H new ATOM 0 HG SER A 77 21.761 -4.330 -10.807 1.00 3.33 H new ATOM 1199 N ILE A 78 21.106 -7.717 -7.857 1.00 64.31 N ATOM 1200 CA ILE A 78 20.292 -8.902 -8.100 1.00 4.20 C ATOM 1201 C ILE A 78 18.806 -8.580 -7.986 1.00 61.14 C ATOM 1202 O ILE A 78 18.393 -7.798 -7.129 1.00 72.24 O ATOM 1203 CB ILE A 78 20.638 -10.034 -7.115 1.00 32.02 C ATOM 1204 CG1 ILE A 78 22.126 -10.379 -7.202 1.00 71.21 C ATOM 1205 CG2 ILE A 78 19.786 -11.262 -7.399 1.00 60.04 C ATOM 1206 CD1 ILE A 78 22.947 -9.804 -6.069 1.00 70.32 C ATOM 0 H ILE A 78 20.836 -7.181 -7.032 1.00 64.31 H new ATOM 0 HA ILE A 78 20.513 -9.235 -9.114 1.00 4.20 H new ATOM 0 HB ILE A 78 20.423 -9.693 -6.102 1.00 32.02 H new ATOM 0 HG12 ILE A 78 22.240 -11.463 -7.208 1.00 71.21 H new ATOM 0 HG13 ILE A 78 22.521 -10.012 -8.149 1.00 71.21 H new ATOM 0 HG21 ILE A 78 20.042 -12.053 -6.695 1.00 60.04 H new ATOM 0 HG22 ILE A 78 18.732 -11.007 -7.290 1.00 60.04 H new ATOM 0 HG23 ILE A 78 19.973 -11.607 -8.416 1.00 60.04 H new ATOM 0 HD11 ILE A 78 23.992 -10.089 -6.196 1.00 70.32 H new ATOM 0 HD12 ILE A 78 22.864 -8.717 -6.075 1.00 70.32 H new ATOM 0 HD13 ILE A 78 22.578 -10.191 -5.119 1.00 70.32 H new ATOM 1218 N HIS A 79 18.006 -9.190 -8.855 1.00 41.35 N ATOM 1219 CA HIS A 79 16.564 -8.970 -8.851 1.00 61.15 C ATOM 1220 C HIS A 79 15.821 -10.250 -8.482 1.00 33.20 C ATOM 1221 O HIS A 79 16.212 -11.346 -8.886 1.00 34.32 O ATOM 1222 CB HIS A 79 16.099 -8.473 -10.221 1.00 32.44 C ATOM 1223 CG HIS A 79 16.961 -7.388 -10.789 1.00 33.33 C ATOM 1224 ND1 HIS A 79 18.044 -7.637 -11.605 1.00 22.25 N ATOM 1225 CD2 HIS A 79 16.893 -6.043 -10.656 1.00 11.11 C ATOM 1226 CE1 HIS A 79 18.607 -6.492 -11.948 1.00 35.14 C ATOM 1227 NE2 HIS A 79 17.927 -5.509 -11.385 1.00 74.14 N ATOM 0 H HIS A 79 18.332 -9.840 -9.570 1.00 41.35 H new ATOM 0 HA HIS A 79 16.339 -8.211 -8.102 1.00 61.15 H new ATOM 0 HB2 HIS A 79 16.081 -9.313 -10.916 1.00 32.44 H new ATOM 0 HB3 HIS A 79 15.076 -8.106 -10.137 1.00 32.44 H new ATOM 0 HD2 HIS A 79 16.162 -5.492 -10.083 1.00 11.11 H new ATOM 0 HE1 HIS A 79 19.475 -6.379 -12.581 1.00 35.14 H new ATOM 0 HE2 HIS A 79 18.136 -4.515 -11.477 1.00 74.14 H new ATOM 1235 N LEU A 80 14.748 -10.104 -7.712 1.00 21.21 N ATOM 1236 CA LEU A 80 13.950 -11.249 -7.287 1.00 53.11 C ATOM 1237 C LEU A 80 12.465 -10.901 -7.270 1.00 53.03 C ATOM 1238 O LEU A 80 12.092 -9.737 -7.131 1.00 4.51 O ATOM 1239 CB LEU A 80 14.391 -11.717 -5.899 1.00 43.32 C ATOM 1240 CG LEU A 80 13.585 -12.865 -5.290 1.00 5.40 C ATOM 1241 CD1 LEU A 80 14.467 -13.718 -4.392 1.00 4.02 C ATOM 1242 CD2 LEU A 80 12.393 -12.326 -4.513 1.00 40.33 C ATOM 0 H LEU A 80 14.411 -9.204 -7.369 1.00 21.21 H new ATOM 0 HA LEU A 80 14.108 -12.056 -8.003 1.00 53.11 H new ATOM 0 HB2 LEU A 80 15.436 -12.023 -5.956 1.00 43.32 H new ATOM 0 HB3 LEU A 80 14.345 -10.866 -5.219 1.00 43.32 H new ATOM 0 HG LEU A 80 13.212 -13.492 -6.100 1.00 5.40 H new ATOM 0 HD11 LEU A 80 13.877 -14.530 -3.967 1.00 4.02 H new ATOM 0 HD12 LEU A 80 15.288 -14.133 -4.977 1.00 4.02 H new ATOM 0 HD13 LEU A 80 14.870 -13.103 -3.587 1.00 4.02 H new ATOM 0 HD21 LEU A 80 11.831 -13.157 -4.087 1.00 40.33 H new ATOM 0 HD22 LEU A 80 12.745 -11.677 -3.711 1.00 40.33 H new ATOM 0 HD23 LEU A 80 11.748 -11.758 -5.184 1.00 40.33 H new ATOM 1254 N GLU A 81 11.622 -11.919 -7.411 1.00 71.34 N ATOM 1255 CA GLU A 81 10.177 -11.720 -7.411 1.00 24.12 C ATOM 1256 C GLU A 81 9.513 -12.560 -6.324 1.00 73.31 C ATOM 1257 O GLU A 81 9.517 -13.790 -6.384 1.00 45.13 O ATOM 1258 CB GLU A 81 9.590 -12.078 -8.778 1.00 4.31 C ATOM 1259 CG GLU A 81 9.342 -10.872 -9.668 1.00 12.31 C ATOM 1260 CD GLU A 81 10.436 -10.672 -10.699 1.00 34.20 C ATOM 1261 OE1 GLU A 81 10.564 -11.525 -11.601 1.00 72.55 O ATOM 1262 OE2 GLU A 81 11.163 -9.662 -10.603 1.00 4.31 O ATOM 0 H GLU A 81 11.914 -12.889 -7.527 1.00 71.34 H new ATOM 0 HA GLU A 81 9.981 -10.668 -7.204 1.00 24.12 H new ATOM 0 HB2 GLU A 81 10.269 -12.762 -9.288 1.00 4.31 H new ATOM 0 HB3 GLU A 81 8.650 -12.611 -8.632 1.00 4.31 H new ATOM 0 HG2 GLU A 81 8.386 -10.992 -10.177 1.00 12.31 H new ATOM 0 HG3 GLU A 81 9.264 -9.978 -9.049 1.00 12.31 H new ATOM 1269 N VAL A 82 8.942 -11.887 -5.330 1.00 73.12 N ATOM 1270 CA VAL A 82 8.272 -12.570 -4.230 1.00 22.23 C ATOM 1271 C VAL A 82 6.789 -12.764 -4.524 1.00 60.02 C ATOM 1272 O VAL A 82 6.018 -11.804 -4.538 1.00 1.10 O ATOM 1273 CB VAL A 82 8.425 -11.791 -2.910 1.00 32.33 C ATOM 1274 CG1 VAL A 82 8.009 -12.655 -1.729 1.00 1.03 C ATOM 1275 CG2 VAL A 82 9.855 -11.300 -2.744 1.00 52.40 C ATOM 0 H VAL A 82 8.930 -10.869 -5.264 1.00 73.12 H new ATOM 0 HA VAL A 82 8.749 -13.545 -4.126 1.00 22.23 H new ATOM 0 HB VAL A 82 7.768 -10.922 -2.943 1.00 32.33 H new ATOM 0 HG11 VAL A 82 8.124 -12.088 -0.805 1.00 1.03 H new ATOM 0 HG12 VAL A 82 6.967 -12.953 -1.845 1.00 1.03 H new ATOM 0 HG13 VAL A 82 8.638 -13.544 -1.689 1.00 1.03 H new ATOM 0 HG21 VAL A 82 9.945 -10.752 -1.806 1.00 52.40 H new ATOM 0 HG22 VAL A 82 10.534 -12.153 -2.732 1.00 52.40 H new ATOM 0 HG23 VAL A 82 10.113 -10.643 -3.575 1.00 52.40 H new ATOM 1285 N ILE A 83 6.396 -14.011 -4.759 1.00 22.53 N ATOM 1286 CA ILE A 83 5.004 -14.331 -5.051 1.00 65.33 C ATOM 1287 C ILE A 83 4.188 -14.455 -3.770 1.00 13.05 C ATOM 1288 O ILE A 83 4.632 -15.058 -2.793 1.00 24.22 O ATOM 1289 CB ILE A 83 4.884 -15.642 -5.852 1.00 3.43 C ATOM 1290 CG1 ILE A 83 3.412 -15.992 -6.080 1.00 45.25 C ATOM 1291 CG2 ILE A 83 5.597 -16.773 -5.126 1.00 11.11 C ATOM 1292 CD1 ILE A 83 2.849 -16.939 -5.045 1.00 14.14 C ATOM 0 H ILE A 83 7.022 -14.816 -4.753 1.00 22.53 H new ATOM 0 HA ILE A 83 4.611 -13.510 -5.651 1.00 65.33 H new ATOM 0 HB ILE A 83 5.360 -15.503 -6.823 1.00 3.43 H new ATOM 0 HG12 ILE A 83 2.824 -15.074 -6.079 1.00 45.25 H new ATOM 0 HG13 ILE A 83 3.302 -16.439 -7.068 1.00 45.25 H new ATOM 0 HG21 ILE A 83 5.503 -17.692 -5.704 1.00 11.11 H new ATOM 0 HG22 ILE A 83 6.652 -16.523 -5.010 1.00 11.11 H new ATOM 0 HG23 ILE A 83 5.147 -16.915 -4.143 1.00 11.11 H new ATOM 0 HD11 ILE A 83 1.802 -17.143 -5.270 1.00 14.14 H new ATOM 0 HD12 ILE A 83 3.412 -17.872 -5.061 1.00 14.14 H new ATOM 0 HD13 ILE A 83 2.927 -16.486 -4.057 1.00 14.14 H new ATOM 1304 N VAL A 84 2.989 -13.881 -3.781 1.00 12.25 N ATOM 1305 CA VAL A 84 2.107 -13.929 -2.620 1.00 64.01 C ATOM 1306 C VAL A 84 0.648 -14.050 -3.043 1.00 52.43 C ATOM 1307 O VAL A 84 0.187 -13.333 -3.932 1.00 42.10 O ATOM 1308 CB VAL A 84 2.273 -12.678 -1.737 1.00 51.33 C ATOM 1309 CG1 VAL A 84 3.704 -12.564 -1.235 1.00 20.02 C ATOM 1310 CG2 VAL A 84 1.867 -11.428 -2.504 1.00 3.01 C ATOM 0 H VAL A 84 2.606 -13.377 -4.581 1.00 12.25 H new ATOM 0 HA VAL A 84 2.389 -14.811 -2.044 1.00 64.01 H new ATOM 0 HB VAL A 84 1.617 -12.775 -0.872 1.00 51.33 H new ATOM 0 HG11 VAL A 84 3.802 -11.674 -0.613 1.00 20.02 H new ATOM 0 HG12 VAL A 84 3.955 -13.447 -0.647 1.00 20.02 H new ATOM 0 HG13 VAL A 84 4.383 -12.489 -2.085 1.00 20.02 H new ATOM 0 HG21 VAL A 84 1.990 -10.553 -1.866 1.00 3.01 H new ATOM 0 HG22 VAL A 84 2.496 -11.323 -3.388 1.00 3.01 H new ATOM 0 HG23 VAL A 84 0.824 -11.511 -2.808 1.00 3.01 H new ATOM 1320 N ASP A 85 -0.075 -14.960 -2.401 1.00 33.21 N ATOM 1321 CA ASP A 85 -1.484 -15.174 -2.709 1.00 75.21 C ATOM 1322 C ASP A 85 -2.376 -14.492 -1.677 1.00 13.25 C ATOM 1323 O ASP A 85 -2.319 -14.807 -0.488 1.00 11.43 O ATOM 1324 CB ASP A 85 -1.796 -16.671 -2.761 1.00 3.32 C ATOM 1325 CG ASP A 85 -2.594 -17.054 -3.992 1.00 24.04 C ATOM 1326 OD1 ASP A 85 -1.990 -17.163 -5.080 1.00 34.21 O ATOM 1327 OD2 ASP A 85 -3.821 -17.246 -3.866 1.00 50.34 O ATOM 0 H ASP A 85 0.291 -15.562 -1.664 1.00 33.21 H new ATOM 0 HA ASP A 85 -1.687 -14.734 -3.686 1.00 75.21 H new ATOM 0 HB2 ASP A 85 -0.863 -17.234 -2.747 1.00 3.32 H new ATOM 0 HB3 ASP A 85 -2.353 -16.954 -1.868 1.00 3.32 H new ATOM 1332 N ARG A 86 -3.199 -13.556 -2.139 1.00 4.33 N ATOM 1333 CA ARG A 86 -4.101 -12.827 -1.255 1.00 23.11 C ATOM 1334 C ARG A 86 -3.319 -11.921 -0.308 1.00 15.11 C ATOM 1335 O ARG A 86 -3.026 -12.280 0.833 1.00 44.44 O ATOM 1336 CB ARG A 86 -4.960 -13.804 -0.450 1.00 61.12 C ATOM 1337 CG ARG A 86 -6.346 -13.271 -0.125 1.00 23.10 C ATOM 1338 CD ARG A 86 -7.425 -14.294 -0.443 1.00 62.22 C ATOM 1339 NE ARG A 86 -7.860 -14.216 -1.835 1.00 64.12 N ATOM 1340 CZ ARG A 86 -8.864 -14.929 -2.332 1.00 71.14 C ATOM 1341 NH1 ARG A 86 -9.534 -15.769 -1.555 1.00 51.50 N ATOM 1342 NH2 ARG A 86 -9.200 -14.803 -3.610 1.00 15.23 N ATOM 0 H ARG A 86 -3.260 -13.285 -3.120 1.00 4.33 H new ATOM 0 HA ARG A 86 -4.750 -12.206 -1.871 1.00 23.11 H new ATOM 0 HB2 ARG A 86 -5.060 -14.734 -1.010 1.00 61.12 H new ATOM 0 HB3 ARG A 86 -4.446 -14.046 0.480 1.00 61.12 H new ATOM 0 HG2 ARG A 86 -6.396 -13.004 0.931 1.00 23.10 H new ATOM 0 HG3 ARG A 86 -6.529 -12.359 -0.693 1.00 23.10 H new ATOM 0 HD2 ARG A 86 -7.047 -15.295 -0.237 1.00 62.22 H new ATOM 0 HD3 ARG A 86 -8.280 -14.135 0.214 1.00 62.22 H new ATOM 0 HE ARG A 86 -7.366 -13.579 -2.460 1.00 64.12 H new ATOM 0 HH11 ARG A 86 -9.279 -15.869 -0.573 1.00 51.50 H new ATOM 0 HH12 ARG A 86 -10.305 -16.315 -1.940 1.00 51.50 H new ATOM 0 HH21 ARG A 86 -8.687 -14.158 -4.211 1.00 15.23 H new ATOM 0 HH22 ARG A 86 -9.971 -15.351 -3.991 1.00 15.23 H new ATOM 1356 N PRO A 87 -2.974 -10.718 -0.790 1.00 51.11 N ATOM 1357 CA PRO A 87 -3.318 -10.280 -2.146 1.00 62.23 C ATOM 1358 C PRO A 87 -2.541 -11.041 -3.215 1.00 43.33 C ATOM 1359 O PRO A 87 -1.474 -11.595 -2.946 1.00 0.40 O ATOM 1360 CB PRO A 87 -2.926 -8.800 -2.151 1.00 71.55 C ATOM 1361 CG PRO A 87 -1.869 -8.685 -1.108 1.00 51.20 C ATOM 1362 CD PRO A 87 -2.221 -9.692 -0.049 1.00 22.52 C ATOM 0 HA PRO A 87 -4.368 -10.457 -2.378 1.00 62.23 H new ATOM 0 HB2 PRO A 87 -2.553 -8.492 -3.128 1.00 71.55 H new ATOM 0 HB3 PRO A 87 -3.780 -8.163 -1.921 1.00 71.55 H new ATOM 0 HG2 PRO A 87 -0.883 -8.888 -1.527 1.00 51.20 H new ATOM 0 HG3 PRO A 87 -1.838 -7.677 -0.693 1.00 51.20 H new ATOM 0 HD2 PRO A 87 -1.330 -10.109 0.421 1.00 22.52 H new ATOM 0 HD3 PRO A 87 -2.822 -9.247 0.744 1.00 22.52 H new ATOM 1370 N LEU A 88 -3.081 -11.064 -4.429 1.00 2.42 N ATOM 1371 CA LEU A 88 -2.437 -11.756 -5.540 1.00 32.33 C ATOM 1372 C LEU A 88 -1.544 -10.806 -6.330 1.00 42.50 C ATOM 1373 O LEU A 88 -2.031 -9.971 -7.092 1.00 71.44 O ATOM 1374 CB LEU A 88 -3.491 -12.370 -6.463 1.00 51.11 C ATOM 1375 CG LEU A 88 -3.962 -13.779 -6.101 1.00 13.21 C ATOM 1376 CD1 LEU A 88 -5.279 -13.723 -5.341 1.00 44.43 C ATOM 1377 CD2 LEU A 88 -4.103 -14.632 -7.353 1.00 22.52 C ATOM 0 H LEU A 88 -3.963 -10.611 -4.669 1.00 2.42 H new ATOM 0 HA LEU A 88 -1.815 -12.551 -5.129 1.00 32.33 H new ATOM 0 HB2 LEU A 88 -4.359 -11.711 -6.479 1.00 51.11 H new ATOM 0 HB3 LEU A 88 -3.089 -12.392 -7.476 1.00 51.11 H new ATOM 0 HG LEU A 88 -3.213 -14.237 -5.455 1.00 13.21 H new ATOM 0 HD11 LEU A 88 -5.599 -14.735 -5.092 1.00 44.43 H new ATOM 0 HD12 LEU A 88 -5.146 -13.148 -4.424 1.00 44.43 H new ATOM 0 HD13 LEU A 88 -6.037 -13.246 -5.962 1.00 44.43 H new ATOM 0 HD21 LEU A 88 -4.439 -15.631 -7.076 1.00 22.52 H new ATOM 0 HD22 LEU A 88 -4.832 -14.177 -8.023 1.00 22.52 H new ATOM 0 HD23 LEU A 88 -3.139 -14.700 -7.857 1.00 22.52 H new ATOM 1389 N GLN A 89 -0.235 -10.939 -6.143 1.00 63.55 N ATOM 1390 CA GLN A 89 0.726 -10.093 -6.841 1.00 3.04 C ATOM 1391 C GLN A 89 2.155 -10.458 -6.453 1.00 23.40 C ATOM 1392 O GLN A 89 2.384 -11.421 -5.720 1.00 41.14 O ATOM 1393 CB GLN A 89 0.461 -8.619 -6.527 1.00 62.44 C ATOM 1394 CG GLN A 89 0.034 -7.807 -7.739 1.00 45.03 C ATOM 1395 CD GLN A 89 1.148 -7.647 -8.756 1.00 14.21 C ATOM 1396 OE1 GLN A 89 1.077 -8.186 -9.861 1.00 24.34 O ATOM 1397 NE2 GLN A 89 2.183 -6.902 -8.388 1.00 25.24 N ATOM 0 H GLN A 89 0.184 -11.624 -5.514 1.00 63.55 H new ATOM 0 HA GLN A 89 0.606 -10.257 -7.912 1.00 3.04 H new ATOM 0 HB2 GLN A 89 -0.314 -8.552 -5.764 1.00 62.44 H new ATOM 0 HB3 GLN A 89 1.364 -8.178 -6.104 1.00 62.44 H new ATOM 0 HG2 GLN A 89 -0.819 -8.291 -8.214 1.00 45.03 H new ATOM 0 HG3 GLN A 89 -0.299 -6.822 -7.413 1.00 45.03 H new ATOM 0 HE21 GLN A 89 2.200 -6.474 -7.462 1.00 25.24 H new ATOM 0 HE22 GLN A 89 2.961 -6.757 -9.031 1.00 25.24 H new ATOM 1406 N VAL A 90 3.115 -9.684 -6.950 1.00 14.32 N ATOM 1407 CA VAL A 90 4.522 -9.925 -6.655 1.00 32.22 C ATOM 1408 C VAL A 90 5.167 -8.702 -6.013 1.00 53.34 C ATOM 1409 O VAL A 90 4.696 -7.577 -6.185 1.00 45.11 O ATOM 1410 CB VAL A 90 5.306 -10.298 -7.927 1.00 1.20 C ATOM 1411 CG1 VAL A 90 6.678 -10.847 -7.567 1.00 70.40 C ATOM 1412 CG2 VAL A 90 4.523 -11.301 -8.761 1.00 12.44 C ATOM 0 H VAL A 90 2.943 -8.884 -7.559 1.00 14.32 H new ATOM 0 HA VAL A 90 4.560 -10.760 -5.956 1.00 32.22 H new ATOM 0 HB VAL A 90 5.447 -9.396 -8.523 1.00 1.20 H new ATOM 0 HG11 VAL A 90 7.217 -11.105 -8.478 1.00 70.40 H new ATOM 0 HG12 VAL A 90 7.238 -10.092 -7.015 1.00 70.40 H new ATOM 0 HG13 VAL A 90 6.563 -11.738 -6.949 1.00 70.40 H new ATOM 0 HG21 VAL A 90 5.092 -11.553 -9.656 1.00 12.44 H new ATOM 0 HG22 VAL A 90 4.349 -12.204 -8.175 1.00 12.44 H new ATOM 0 HG23 VAL A 90 3.566 -10.866 -9.050 1.00 12.44 H new ATOM 1422 N PHE A 91 6.247 -8.928 -5.274 1.00 22.53 N ATOM 1423 CA PHE A 91 6.958 -7.844 -4.606 1.00 34.45 C ATOM 1424 C PHE A 91 8.344 -7.648 -5.211 1.00 64.40 C ATOM 1425 O PHE A 91 9.083 -8.611 -5.424 1.00 52.44 O ATOM 1426 CB PHE A 91 7.079 -8.133 -3.108 1.00 12.53 C ATOM 1427 CG PHE A 91 6.151 -7.309 -2.262 1.00 14.43 C ATOM 1428 CD1 PHE A 91 6.449 -5.988 -1.968 1.00 13.23 C ATOM 1429 CD2 PHE A 91 4.980 -7.855 -1.761 1.00 52.30 C ATOM 1430 CE1 PHE A 91 5.597 -5.228 -1.189 1.00 13.12 C ATOM 1431 CE2 PHE A 91 4.124 -7.099 -0.982 1.00 34.41 C ATOM 1432 CZ PHE A 91 4.432 -5.784 -0.696 1.00 41.13 C ATOM 0 H PHE A 91 6.650 -9.853 -5.122 1.00 22.53 H new ATOM 0 HA PHE A 91 6.387 -6.927 -4.748 1.00 34.45 H new ATOM 0 HB2 PHE A 91 6.876 -9.189 -2.932 1.00 12.53 H new ATOM 0 HB3 PHE A 91 8.106 -7.949 -2.792 1.00 12.53 H new ATOM 0 HD1 PHE A 91 7.357 -5.547 -2.352 1.00 13.23 H new ATOM 0 HD2 PHE A 91 4.733 -8.883 -1.982 1.00 52.30 H new ATOM 0 HE1 PHE A 91 5.842 -4.200 -0.966 1.00 13.12 H new ATOM 0 HE2 PHE A 91 3.215 -7.537 -0.597 1.00 34.41 H new ATOM 0 HZ PHE A 91 3.764 -5.191 -0.088 1.00 41.13 H new ATOM 1442 N HIS A 92 8.692 -6.395 -5.486 1.00 74.14 N ATOM 1443 CA HIS A 92 9.990 -6.072 -6.068 1.00 13.43 C ATOM 1444 C HIS A 92 11.094 -6.173 -5.020 1.00 44.02 C ATOM 1445 O HIS A 92 11.169 -5.358 -4.101 1.00 1.32 O ATOM 1446 CB HIS A 92 9.967 -4.665 -6.668 1.00 23.53 C ATOM 1447 CG HIS A 92 10.728 -4.550 -7.953 1.00 20.43 C ATOM 1448 ND1 HIS A 92 11.680 -3.579 -8.179 1.00 52.33 N ATOM 1449 CD2 HIS A 92 10.674 -5.293 -9.083 1.00 22.21 C ATOM 1450 CE1 HIS A 92 12.177 -3.728 -9.394 1.00 43.20 C ATOM 1451 NE2 HIS A 92 11.584 -4.762 -9.963 1.00 42.53 N ATOM 0 H HIS A 92 8.094 -5.587 -5.315 1.00 74.14 H new ATOM 0 HA HIS A 92 10.197 -6.793 -6.859 1.00 13.43 H new ATOM 0 HB2 HIS A 92 8.932 -4.369 -6.840 1.00 23.53 H new ATOM 0 HB3 HIS A 92 10.383 -3.964 -5.945 1.00 23.53 H new ATOM 0 HD2 HIS A 92 10.034 -6.145 -9.259 1.00 22.21 H new ATOM 0 HE1 HIS A 92 12.939 -3.109 -9.845 1.00 43.20 H new ATOM 0 HE2 HIS A 92 11.772 -5.109 -10.903 1.00 42.53 H new ATOM 1459 N VAL A 93 11.950 -7.180 -5.165 1.00 43.33 N ATOM 1460 CA VAL A 93 13.051 -7.388 -4.232 1.00 43.43 C ATOM 1461 C VAL A 93 14.397 -7.310 -4.944 1.00 61.44 C ATOM 1462 O VAL A 93 14.627 -8.005 -5.934 1.00 1.12 O ATOM 1463 CB VAL A 93 12.936 -8.750 -3.523 1.00 12.35 C ATOM 1464 CG1 VAL A 93 14.231 -9.087 -2.801 1.00 24.42 C ATOM 1465 CG2 VAL A 93 11.762 -8.748 -2.555 1.00 52.01 C ATOM 0 H VAL A 93 11.902 -7.864 -5.920 1.00 43.33 H new ATOM 0 HA VAL A 93 12.990 -6.593 -3.488 1.00 43.43 H new ATOM 0 HB VAL A 93 12.757 -9.518 -4.275 1.00 12.35 H new ATOM 0 HG11 VAL A 93 14.131 -10.053 -2.306 1.00 24.42 H new ATOM 0 HG12 VAL A 93 15.048 -9.131 -3.521 1.00 24.42 H new ATOM 0 HG13 VAL A 93 14.444 -8.319 -2.058 1.00 24.42 H new ATOM 0 HG21 VAL A 93 11.695 -9.718 -2.062 1.00 52.01 H new ATOM 0 HG22 VAL A 93 11.909 -7.970 -1.806 1.00 52.01 H new ATOM 0 HG23 VAL A 93 10.839 -8.555 -3.102 1.00 52.01 H new ATOM 1475 N GLU A 94 15.283 -6.461 -4.433 1.00 61.24 N ATOM 1476 CA GLU A 94 16.607 -6.294 -5.022 1.00 12.55 C ATOM 1477 C GLU A 94 17.694 -6.414 -3.958 1.00 1.14 C ATOM 1478 O GLU A 94 17.787 -5.585 -3.052 1.00 33.21 O ATOM 1479 CB GLU A 94 16.710 -4.937 -5.721 1.00 3.51 C ATOM 1480 CG GLU A 94 15.597 -4.682 -6.724 1.00 25.22 C ATOM 1481 CD GLU A 94 15.601 -3.260 -7.251 1.00 61.51 C ATOM 1482 OE1 GLU A 94 15.432 -2.326 -6.440 1.00 45.13 O ATOM 1483 OE2 GLU A 94 15.773 -3.083 -8.475 1.00 51.13 O ATOM 0 H GLU A 94 15.109 -5.879 -3.614 1.00 61.24 H new ATOM 0 HA GLU A 94 16.753 -7.086 -5.757 1.00 12.55 H new ATOM 0 HB2 GLU A 94 16.697 -4.148 -4.969 1.00 3.51 H new ATOM 0 HB3 GLU A 94 17.670 -4.874 -6.233 1.00 3.51 H new ATOM 0 HG2 GLU A 94 15.700 -5.375 -7.559 1.00 25.22 H new ATOM 0 HG3 GLU A 94 14.635 -4.889 -6.254 1.00 25.22 H new ATOM 1490 N VAL A 95 18.515 -7.453 -4.074 1.00 2.20 N ATOM 1491 CA VAL A 95 19.597 -7.683 -3.124 1.00 13.45 C ATOM 1492 C VAL A 95 20.952 -7.364 -3.745 1.00 72.45 C ATOM 1493 O VAL A 95 21.258 -7.809 -4.851 1.00 75.41 O ATOM 1494 CB VAL A 95 19.603 -9.139 -2.622 1.00 65.04 C ATOM 1495 CG1 VAL A 95 18.327 -9.445 -1.854 1.00 21.41 C ATOM 1496 CG2 VAL A 95 19.779 -10.102 -3.787 1.00 55.10 C ATOM 0 H VAL A 95 18.451 -8.149 -4.817 1.00 2.20 H new ATOM 0 HA VAL A 95 19.423 -7.016 -2.279 1.00 13.45 H new ATOM 0 HB VAL A 95 20.446 -9.268 -1.943 1.00 65.04 H new ATOM 0 HG11 VAL A 95 18.350 -10.478 -1.507 1.00 21.41 H new ATOM 0 HG12 VAL A 95 18.249 -8.776 -0.997 1.00 21.41 H new ATOM 0 HG13 VAL A 95 17.466 -9.300 -2.507 1.00 21.41 H new ATOM 0 HG21 VAL A 95 19.781 -11.127 -3.415 1.00 55.10 H new ATOM 0 HG22 VAL A 95 18.958 -9.974 -4.492 1.00 55.10 H new ATOM 0 HG23 VAL A 95 20.724 -9.896 -4.289 1.00 55.10 H new ATOM 1506 N GLU A 96 21.760 -6.592 -3.026 1.00 40.35 N ATOM 1507 CA GLU A 96 23.083 -6.214 -3.509 1.00 2.20 C ATOM 1508 C GLU A 96 24.175 -6.938 -2.726 1.00 50.33 C ATOM 1509 O GLU A 96 23.979 -7.316 -1.571 1.00 63.33 O ATOM 1510 CB GLU A 96 23.278 -4.700 -3.397 1.00 22.32 C ATOM 1511 CG GLU A 96 22.968 -3.950 -4.681 1.00 13.31 C ATOM 1512 CD GLU A 96 21.999 -2.803 -4.467 1.00 32.13 C ATOM 1513 OE1 GLU A 96 20.917 -3.040 -3.890 1.00 53.24 O ATOM 1514 OE2 GLU A 96 22.324 -1.669 -4.876 1.00 14.43 O ATOM 0 H GLU A 96 21.522 -6.216 -2.108 1.00 40.35 H new ATOM 0 HA GLU A 96 23.157 -6.506 -4.557 1.00 2.20 H new ATOM 0 HB2 GLU A 96 22.640 -4.318 -2.600 1.00 22.32 H new ATOM 0 HB3 GLU A 96 24.308 -4.495 -3.106 1.00 22.32 H new ATOM 0 HG2 GLU A 96 23.895 -3.563 -5.104 1.00 13.31 H new ATOM 0 HG3 GLU A 96 22.549 -4.643 -5.410 1.00 13.31 H new ATOM 1521 N VAL A 97 25.326 -7.127 -3.364 1.00 74.23 N ATOM 1522 CA VAL A 97 26.449 -7.805 -2.729 1.00 4.10 C ATOM 1523 C VAL A 97 27.509 -6.806 -2.277 1.00 61.30 C ATOM 1524 O VAL A 97 27.965 -5.972 -3.060 1.00 35.34 O ATOM 1525 CB VAL A 97 27.097 -8.829 -3.680 1.00 23.25 C ATOM 1526 CG1 VAL A 97 26.241 -10.082 -3.778 1.00 70.42 C ATOM 1527 CG2 VAL A 97 27.318 -8.215 -5.054 1.00 2.15 C ATOM 0 H VAL A 97 25.505 -6.820 -4.320 1.00 74.23 H new ATOM 0 HA VAL A 97 26.052 -8.329 -1.859 1.00 4.10 H new ATOM 0 HB VAL A 97 28.068 -9.112 -3.274 1.00 23.25 H new ATOM 0 HG11 VAL A 97 26.714 -10.794 -4.454 1.00 70.42 H new ATOM 0 HG12 VAL A 97 26.140 -10.532 -2.790 1.00 70.42 H new ATOM 0 HG13 VAL A 97 25.254 -9.820 -4.160 1.00 70.42 H new ATOM 0 HG21 VAL A 97 27.777 -8.953 -5.713 1.00 2.15 H new ATOM 0 HG22 VAL A 97 26.361 -7.902 -5.471 1.00 2.15 H new ATOM 0 HG23 VAL A 97 27.975 -7.350 -4.965 1.00 2.15 H new ATOM 1537 N ARG A 98 27.898 -6.898 -1.009 1.00 53.54 N ATOM 1538 CA ARG A 98 28.904 -6.001 -0.452 1.00 73.34 C ATOM 1539 C ARG A 98 30.290 -6.636 -0.512 1.00 61.11 C ATOM 1540 O ARG A 98 30.555 -7.637 0.154 1.00 74.22 O ATOM 1541 CB ARG A 98 28.556 -5.646 0.994 1.00 12.23 C ATOM 1542 CG ARG A 98 29.400 -4.517 1.564 1.00 55.02 C ATOM 1543 CD ARG A 98 28.635 -3.202 1.577 1.00 22.41 C ATOM 1544 NE ARG A 98 27.831 -3.049 2.786 1.00 32.13 N ATOM 1545 CZ ARG A 98 28.325 -2.648 3.952 1.00 4.11 C ATOM 1546 NH1 ARG A 98 29.615 -2.361 4.065 1.00 12.43 N ATOM 1547 NH2 ARG A 98 27.529 -2.533 5.008 1.00 45.25 N ATOM 0 H ARG A 98 27.532 -7.584 -0.349 1.00 53.54 H new ATOM 0 HA ARG A 98 28.914 -5.090 -1.050 1.00 73.34 H new ATOM 0 HB2 ARG A 98 27.504 -5.365 1.047 1.00 12.23 H new ATOM 0 HB3 ARG A 98 28.681 -6.532 1.617 1.00 12.23 H new ATOM 0 HG2 ARG A 98 29.710 -4.769 2.578 1.00 55.02 H new ATOM 0 HG3 ARG A 98 30.308 -4.405 0.972 1.00 55.02 H new ATOM 0 HD2 ARG A 98 29.338 -2.373 1.502 1.00 22.41 H new ATOM 0 HD3 ARG A 98 27.987 -3.151 0.702 1.00 22.41 H new ATOM 0 HE ARG A 98 26.835 -3.262 2.732 1.00 32.13 H new ATOM 0 HH11 ARG A 98 30.230 -2.448 3.256 1.00 12.43 H new ATOM 0 HH12 ARG A 98 29.992 -2.053 4.961 1.00 12.43 H new ATOM 0 HH21 ARG A 98 26.536 -2.753 4.925 1.00 45.25 H new ATOM 0 HH22 ARG A 98 27.910 -2.225 5.903 1.00 45.25 H new ATOM 1561 N ASP A 99 31.170 -6.047 -1.314 1.00 63.42 N ATOM 1562 CA ASP A 99 32.530 -6.555 -1.461 1.00 13.42 C ATOM 1563 C ASP A 99 33.326 -5.699 -2.442 1.00 31.43 C ATOM 1564 O ASP A 99 32.858 -4.652 -2.889 1.00 13.13 O ATOM 1565 CB ASP A 99 32.506 -8.008 -1.935 1.00 61.41 C ATOM 1566 CG ASP A 99 33.155 -8.952 -0.942 1.00 31.14 C ATOM 1567 OD1 ASP A 99 33.068 -8.685 0.275 1.00 14.24 O ATOM 1568 OD2 ASP A 99 33.749 -9.958 -1.381 1.00 23.40 O ATOM 0 H ASP A 99 30.967 -5.218 -1.872 1.00 63.42 H new ATOM 0 HA ASP A 99 33.017 -6.508 -0.487 1.00 13.42 H new ATOM 0 HB2 ASP A 99 31.474 -8.315 -2.103 1.00 61.41 H new ATOM 0 HB3 ASP A 99 33.021 -8.083 -2.893 1.00 61.41 H new ATOM 1573 N ILE A 100 34.531 -6.153 -2.771 1.00 12.52 N ATOM 1574 CA ILE A 100 35.391 -5.429 -3.698 1.00 43.24 C ATOM 1575 C ILE A 100 35.806 -6.314 -4.869 1.00 35.32 C ATOM 1576 O ILE A 100 35.808 -7.540 -4.762 1.00 45.23 O ATOM 1577 CB ILE A 100 36.656 -4.900 -2.997 1.00 2.22 C ATOM 1578 CG1 ILE A 100 36.295 -4.279 -1.646 1.00 54.41 C ATOM 1579 CG2 ILE A 100 37.366 -3.884 -3.880 1.00 21.42 C ATOM 1580 CD1 ILE A 100 36.617 -5.169 -0.466 1.00 54.41 C ATOM 0 H ILE A 100 34.933 -7.018 -2.410 1.00 12.52 H new ATOM 0 HA ILE A 100 34.812 -4.584 -4.071 1.00 43.24 H new ATOM 0 HB ILE A 100 37.333 -5.736 -2.822 1.00 2.22 H new ATOM 0 HG12 ILE A 100 36.829 -3.335 -1.535 1.00 54.41 H new ATOM 0 HG13 ILE A 100 35.230 -4.046 -1.635 1.00 54.41 H new ATOM 0 HG21 ILE A 100 38.258 -3.520 -3.370 1.00 21.42 H new ATOM 0 HG22 ILE A 100 37.652 -4.356 -4.820 1.00 21.42 H new ATOM 0 HG23 ILE A 100 36.697 -3.048 -4.083 1.00 21.42 H new ATOM 0 HD11 ILE A 100 36.335 -4.664 0.458 1.00 54.41 H new ATOM 0 HD12 ILE A 100 36.063 -6.104 -0.553 1.00 54.41 H new ATOM 0 HD13 ILE A 100 37.686 -5.381 -0.451 1.00 54.41 H new ATOM 1592 N ASN A 101 36.157 -5.684 -5.985 1.00 74.11 N ATOM 1593 CA ASN A 101 36.574 -6.415 -7.176 1.00 43.21 C ATOM 1594 C ASN A 101 38.054 -6.778 -7.100 1.00 62.22 C ATOM 1595 O ASN A 101 38.438 -7.919 -7.361 1.00 10.45 O ATOM 1596 CB ASN A 101 36.306 -5.582 -8.431 1.00 50.22 C ATOM 1597 CG ASN A 101 36.589 -6.351 -9.707 1.00 44.11 C ATOM 1598 OD1 ASN A 101 36.793 -7.565 -9.681 1.00 54.21 O ATOM 1599 ND2 ASN A 101 36.604 -5.645 -10.832 1.00 64.40 N ATOM 0 H ASN A 101 36.161 -4.669 -6.090 1.00 74.11 H new ATOM 0 HA ASN A 101 35.994 -7.336 -7.229 1.00 43.21 H new ATOM 0 HB2 ASN A 101 35.267 -5.254 -8.431 1.00 50.22 H new ATOM 0 HB3 ASN A 101 36.924 -4.684 -8.407 1.00 50.22 H new ATOM 0 HD21 ASN A 101 36.790 -6.107 -11.722 1.00 64.40 H new ATOM 0 HD22 ASN A 101 36.429 -4.640 -10.806 1.00 64.40 H new ATOM 1606 N ASP A 102 38.880 -5.801 -6.742 1.00 32.35 N ATOM 1607 CA ASP A 102 40.318 -6.018 -6.629 1.00 54.13 C ATOM 1608 C ASP A 102 40.620 -7.185 -5.695 1.00 31.04 C ATOM 1609 O ASP A 102 41.635 -7.864 -5.842 1.00 3.31 O ATOM 1610 CB ASP A 102 41.008 -4.751 -6.123 1.00 12.44 C ATOM 1611 CG ASP A 102 42.122 -4.291 -7.042 1.00 52.25 C ATOM 1612 OD1 ASP A 102 41.859 -4.117 -8.251 1.00 0.54 O ATOM 1613 OD2 ASP A 102 43.257 -4.106 -6.554 1.00 74.24 O ATOM 0 H ASP A 102 38.579 -4.851 -6.525 1.00 32.35 H new ATOM 0 HA ASP A 102 40.703 -6.261 -7.619 1.00 54.13 H new ATOM 0 HB2 ASP A 102 40.271 -3.954 -6.024 1.00 12.44 H new ATOM 0 HB3 ASP A 102 41.414 -4.935 -5.128 1.00 12.44 H new ATOM 1618 N ASN A 103 39.732 -7.411 -4.732 1.00 75.44 N ATOM 1619 CA ASN A 103 39.904 -8.495 -3.772 1.00 63.52 C ATOM 1620 C ASN A 103 41.270 -8.412 -3.098 1.00 22.14 C ATOM 1621 O ASN A 103 41.979 -7.415 -3.231 1.00 10.33 O ATOM 1622 CB ASN A 103 39.748 -9.850 -4.467 1.00 10.31 C ATOM 1623 CG ASN A 103 39.341 -10.949 -3.505 1.00 70.31 C ATOM 1624 OD1 ASN A 103 38.162 -11.109 -3.190 1.00 54.40 O ATOM 1625 ND2 ASN A 103 40.319 -11.714 -3.033 1.00 74.34 N ATOM 0 H ASN A 103 38.886 -6.858 -4.596 1.00 75.44 H new ATOM 0 HA ASN A 103 39.134 -8.395 -3.007 1.00 63.52 H new ATOM 0 HB2 ASN A 103 39.001 -9.767 -5.256 1.00 10.31 H new ATOM 0 HB3 ASN A 103 40.689 -10.120 -4.946 1.00 10.31 H new ATOM 0 HD21 ASN A 103 40.106 -12.470 -2.382 1.00 74.34 H new ATOM 0 HD22 ASN A 103 41.283 -11.545 -3.321 1.00 74.34 H new TER 1632 ASN A 103