USER MOD reduce.3.24.130724 H: found=0, std=0, add=817, rem=0, adj=11 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 54 GLN : amide:sc= -0.55 K(o=-0.56,f=-1.1) USER MOD Set 1.2: A 55 ASN : amide:sc= -0.0149 X(o=-0.56,f=-0.52) USER MOD Set 2.1: A 1 GLY N :NH3+ -118:sc= 0.0108 (180deg=0) USER MOD Set 2.2: A 2 ASN : amide:sc= -0.079 X(o=-0.068,f=-0.31) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.224 X(o=-0.22,f=-0.0016) USER MOD Single : A 7 TYR OH : rot 165:sc= -1.86 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.288 X(o=-0.29,f=-0.79) USER MOD Single : A 17 THR OG1 : rot 96:sc= 1.08 USER MOD Single : A 24 GLN : amide:sc= -0.194 K(o=-0.19,f=-1.7) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0782 USER MOD Single : A 42 SER OG : rot -96:sc= -2.11! USER MOD Single : A 43 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0613) USER MOD Single : A 52 ASN : amide:sc= -1.44 K(o=-1.4,f=-11!) USER MOD Single : A 61 ASN : amide:sc= -0.157 K(o=-0.16,f=-1.5!) USER MOD Single : A 62 SER OG : rot 28:sc= 0.405 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0.0239 USER MOD Single : A 79 HIS : no HD1:sc= -0.0304 X(o=-0.03,f=-0.35) USER MOD Single : A 89 GLN : amide:sc= -0.0622 K(o=-0.062,f=-0.61) USER MOD Single : A 92 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 101 ASN : amide:sc= -0.266 K(o=-0.27,f=-1.6!) USER MOD Single : A 103 ASN : amide:sc= -1.46 K(o=-1.5,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.250 0.840 -3.307 1.00 31.20 N ATOM 2 CA GLY A 1 0.973 0.758 -4.563 1.00 31.34 C ATOM 3 C GLY A 1 2.460 0.995 -4.392 1.00 2.22 C ATOM 4 O GLY A 1 3.016 1.930 -4.966 1.00 50.25 O ATOM 0 H1 GLY A 1 -0.196 -0.077 -3.103 1.00 31.20 H new ATOM 0 H2 GLY A 1 0.911 1.082 -2.541 1.00 31.20 H new ATOM 0 H3 GLY A 1 -0.484 1.574 -3.376 1.00 31.20 H new ATOM 0 HA2 GLY A 1 0.813 -0.225 -5.007 1.00 31.34 H new ATOM 0 HA3 GLY A 1 0.569 1.492 -5.260 1.00 31.34 H new ATOM 8 N ASN A 2 3.106 0.147 -3.598 1.00 0.31 N ATOM 9 CA ASN A 2 4.538 0.271 -3.351 1.00 41.11 C ATOM 10 C ASN A 2 5.138 -1.071 -2.942 1.00 15.23 C ATOM 11 O ASN A 2 4.844 -1.591 -1.865 1.00 41.13 O ATOM 12 CB ASN A 2 4.801 1.313 -2.262 1.00 52.21 C ATOM 13 CG ASN A 2 3.865 1.162 -1.079 1.00 35.52 C ATOM 14 OD1 ASN A 2 2.709 1.583 -1.129 1.00 51.04 O ATOM 15 ND2 ASN A 2 4.361 0.557 -0.006 1.00 11.35 N ATOM 0 H ASN A 2 2.661 -0.633 -3.115 1.00 0.31 H new ATOM 0 HA ASN A 2 5.014 0.595 -4.277 1.00 41.11 H new ATOM 0 HB2 ASN A 2 5.832 1.224 -1.920 1.00 52.21 H new ATOM 0 HB3 ASN A 2 4.690 2.312 -2.684 1.00 52.21 H new ATOM 0 HD21 ASN A 2 3.778 0.426 0.821 1.00 11.35 H new ATOM 0 HD22 ASN A 2 5.325 0.224 -0.008 1.00 11.35 H new ATOM 22 N SER A 3 5.979 -1.626 -3.808 1.00 3.31 N ATOM 23 CA SER A 3 6.618 -2.909 -3.538 1.00 41.54 C ATOM 24 C SER A 3 8.123 -2.827 -3.777 1.00 12.23 C ATOM 25 O SER A 3 8.765 -3.825 -4.103 1.00 53.32 O ATOM 26 CB SER A 3 6.009 -4.001 -4.420 1.00 2.31 C ATOM 27 OG SER A 3 6.296 -3.770 -5.788 1.00 62.54 O ATOM 0 H SER A 3 6.234 -1.208 -4.703 1.00 3.31 H new ATOM 0 HA SER A 3 6.447 -3.160 -2.491 1.00 41.54 H new ATOM 0 HB2 SER A 3 6.400 -4.974 -4.122 1.00 2.31 H new ATOM 0 HB3 SER A 3 4.930 -4.033 -4.272 1.00 2.31 H new ATOM 0 HG SER A 3 5.898 -4.482 -6.331 1.00 62.54 H new ATOM 33 N GLN A 4 8.678 -1.631 -3.611 1.00 13.51 N ATOM 34 CA GLN A 4 10.107 -1.418 -3.809 1.00 14.34 C ATOM 35 C GLN A 4 10.889 -1.771 -2.548 1.00 41.21 C ATOM 36 O GLN A 4 10.965 -0.976 -1.611 1.00 25.15 O ATOM 37 CB GLN A 4 10.378 0.036 -4.201 1.00 73.32 C ATOM 38 CG GLN A 4 9.564 0.505 -5.396 1.00 60.15 C ATOM 39 CD GLN A 4 10.430 0.859 -6.589 1.00 42.41 C ATOM 40 OE1 GLN A 4 11.109 1.887 -6.594 1.00 60.35 O ATOM 41 NE2 GLN A 4 10.411 0.009 -7.608 1.00 65.44 N ATOM 0 H GLN A 4 8.160 -0.795 -3.340 1.00 13.51 H new ATOM 0 HA GLN A 4 10.438 -2.072 -4.616 1.00 14.34 H new ATOM 0 HB2 GLN A 4 10.161 0.680 -3.349 1.00 73.32 H new ATOM 0 HB3 GLN A 4 11.438 0.151 -4.426 1.00 73.32 H new ATOM 0 HG2 GLN A 4 8.861 -0.277 -5.682 1.00 60.15 H new ATOM 0 HG3 GLN A 4 8.973 1.375 -5.110 1.00 60.15 H new ATOM 0 HE21 GLN A 4 9.834 -0.831 -7.561 1.00 65.44 H new ATOM 0 HE22 GLN A 4 10.974 0.195 -8.438 1.00 65.44 H new ATOM 50 N ILE A 5 11.468 -2.967 -2.533 1.00 11.44 N ATOM 51 CA ILE A 5 12.245 -3.424 -1.387 1.00 51.22 C ATOM 52 C ILE A 5 13.574 -4.027 -1.830 1.00 33.12 C ATOM 53 O ILE A 5 13.643 -4.733 -2.836 1.00 73.24 O ATOM 54 CB ILE A 5 11.470 -4.468 -0.562 1.00 12.44 C ATOM 55 CG1 ILE A 5 10.034 -3.997 -0.323 1.00 12.34 C ATOM 56 CG2 ILE A 5 12.175 -4.727 0.761 1.00 2.43 C ATOM 57 CD1 ILE A 5 9.943 -2.715 0.475 1.00 2.41 C ATOM 0 H ILE A 5 11.414 -3.637 -3.301 1.00 11.44 H new ATOM 0 HA ILE A 5 12.435 -2.549 -0.765 1.00 51.22 H new ATOM 0 HB ILE A 5 11.438 -5.402 -1.123 1.00 12.44 H new ATOM 0 HG12 ILE A 5 9.543 -3.852 -1.285 1.00 12.34 H new ATOM 0 HG13 ILE A 5 9.486 -4.781 0.200 1.00 12.34 H new ATOM 0 HG21 ILE A 5 11.615 -5.467 1.333 1.00 2.43 H new ATOM 0 HG22 ILE A 5 13.181 -5.101 0.570 1.00 2.43 H new ATOM 0 HG23 ILE A 5 12.235 -3.799 1.329 1.00 2.43 H new ATOM 0 HD11 ILE A 5 8.896 -2.441 0.606 1.00 2.41 H new ATOM 0 HD12 ILE A 5 10.405 -2.861 1.452 1.00 2.41 H new ATOM 0 HD13 ILE A 5 10.463 -1.918 -0.057 1.00 2.41 H new ATOM 69 N HIS A 6 14.628 -3.746 -1.070 1.00 55.41 N ATOM 70 CA HIS A 6 15.955 -4.263 -1.383 1.00 2.45 C ATOM 71 C HIS A 6 16.679 -4.702 -0.114 1.00 25.23 C ATOM 72 O HIS A 6 16.446 -4.159 0.966 1.00 10.42 O ATOM 73 CB HIS A 6 16.780 -3.202 -2.113 1.00 34.20 C ATOM 74 CG HIS A 6 16.725 -1.852 -1.468 1.00 11.42 C ATOM 75 ND1 HIS A 6 17.762 -1.331 -0.723 1.00 50.32 N ATOM 76 CD2 HIS A 6 15.750 -0.913 -1.460 1.00 52.14 C ATOM 77 CE1 HIS A 6 17.427 -0.131 -0.284 1.00 54.33 C ATOM 78 NE2 HIS A 6 16.210 0.147 -0.718 1.00 62.31 N ATOM 0 H HIS A 6 14.589 -3.163 -0.234 1.00 55.41 H new ATOM 0 HA HIS A 6 15.836 -5.130 -2.032 1.00 2.45 H new ATOM 0 HB2 HIS A 6 17.818 -3.531 -2.161 1.00 34.20 H new ATOM 0 HB3 HIS A 6 16.424 -3.120 -3.140 1.00 34.20 H new ATOM 0 HD2 HIS A 6 14.789 -0.984 -1.947 1.00 52.14 H new ATOM 0 HE1 HIS A 6 18.043 0.513 0.326 1.00 54.33 H new ATOM 0 HE2 HIS A 6 15.696 1.008 -0.532 1.00 62.31 H new ATOM 86 N TYR A 7 17.558 -5.689 -0.252 1.00 11.14 N ATOM 87 CA TYR A 7 18.314 -6.204 0.884 1.00 13.31 C ATOM 88 C TYR A 7 19.814 -6.050 0.655 1.00 61.35 C ATOM 89 O TYR A 7 20.255 -5.723 -0.447 1.00 73.55 O ATOM 90 CB TYR A 7 17.971 -7.675 1.127 1.00 44.42 C ATOM 91 CG TYR A 7 16.490 -7.969 1.067 1.00 74.31 C ATOM 92 CD1 TYR A 7 15.560 -7.064 1.565 1.00 63.44 C ATOM 93 CD2 TYR A 7 16.019 -9.153 0.511 1.00 12.23 C ATOM 94 CE1 TYR A 7 14.206 -7.330 1.513 1.00 73.15 C ATOM 95 CE2 TYR A 7 14.666 -9.426 0.454 1.00 72.24 C ATOM 96 CZ TYR A 7 13.763 -8.512 0.956 1.00 64.00 C ATOM 97 OH TYR A 7 12.415 -8.780 0.901 1.00 52.21 O ATOM 0 H TYR A 7 17.764 -6.148 -1.139 1.00 11.14 H new ATOM 0 HA TYR A 7 18.038 -5.624 1.765 1.00 13.31 H new ATOM 0 HB2 TYR A 7 18.485 -8.286 0.385 1.00 44.42 H new ATOM 0 HB3 TYR A 7 18.353 -7.972 2.104 1.00 44.42 H new ATOM 0 HD1 TYR A 7 15.902 -6.137 2.000 1.00 63.44 H new ATOM 0 HD2 TYR A 7 16.723 -9.871 0.117 1.00 12.23 H new ATOM 0 HE1 TYR A 7 13.497 -6.616 1.906 1.00 73.15 H new ATOM 0 HE2 TYR A 7 14.317 -10.351 0.018 1.00 72.24 H new ATOM 0 HH TYR A 7 12.254 -9.519 0.278 1.00 52.21 H new ATOM 107 N SER A 8 20.594 -6.289 1.704 1.00 62.52 N ATOM 108 CA SER A 8 22.045 -6.175 1.619 1.00 24.23 C ATOM 109 C SER A 8 22.721 -7.440 2.140 1.00 62.35 C ATOM 110 O SER A 8 22.445 -7.892 3.251 1.00 31.21 O ATOM 111 CB SER A 8 22.530 -4.961 2.414 1.00 33.02 C ATOM 112 OG SER A 8 22.629 -3.816 1.586 1.00 53.43 O ATOM 0 H SER A 8 20.246 -6.563 2.623 1.00 62.52 H new ATOM 0 HA SER A 8 22.313 -6.045 0.571 1.00 24.23 H new ATOM 0 HB2 SER A 8 21.842 -4.761 3.235 1.00 33.02 H new ATOM 0 HB3 SER A 8 23.502 -5.178 2.858 1.00 33.02 H new ATOM 0 HG SER A 8 22.939 -3.054 2.118 1.00 53.43 H new ATOM 118 N ILE A 9 23.608 -8.006 1.328 1.00 74.54 N ATOM 119 CA ILE A 9 24.324 -9.218 1.706 1.00 71.45 C ATOM 120 C ILE A 9 25.715 -9.252 1.081 1.00 73.31 C ATOM 121 O ILE A 9 25.876 -9.209 -0.139 1.00 13.21 O ATOM 122 CB ILE A 9 23.553 -10.483 1.283 1.00 11.12 C ATOM 123 CG1 ILE A 9 24.414 -11.729 1.503 1.00 53.34 C ATOM 124 CG2 ILE A 9 23.122 -10.379 -0.172 1.00 64.43 C ATOM 125 CD1 ILE A 9 23.681 -13.024 1.234 1.00 70.41 C ATOM 0 H ILE A 9 23.848 -7.645 0.405 1.00 74.54 H new ATOM 0 HA ILE A 9 24.416 -9.204 2.792 1.00 71.45 H new ATOM 0 HB ILE A 9 22.659 -10.569 1.900 1.00 11.12 H new ATOM 0 HG12 ILE A 9 25.289 -11.675 0.856 1.00 53.34 H new ATOM 0 HG13 ILE A 9 24.777 -11.733 2.531 1.00 53.34 H new ATOM 0 HG21 ILE A 9 22.579 -11.280 -0.456 1.00 64.43 H new ATOM 0 HG22 ILE A 9 22.476 -9.510 -0.299 1.00 64.43 H new ATOM 0 HG23 ILE A 9 24.002 -10.272 -0.806 1.00 64.43 H new ATOM 0 HD11 ILE A 9 24.352 -13.865 1.410 1.00 70.41 H new ATOM 0 HD12 ILE A 9 22.821 -13.100 1.899 1.00 70.41 H new ATOM 0 HD13 ILE A 9 23.341 -13.041 0.198 1.00 70.41 H new ATOM 137 N PRO A 10 26.745 -9.334 1.936 1.00 43.45 N ATOM 138 CA PRO A 10 28.141 -9.378 1.490 1.00 2.23 C ATOM 139 C PRO A 10 28.487 -10.690 0.796 1.00 72.55 C ATOM 140 O PRO A 10 28.072 -11.763 1.234 1.00 10.32 O ATOM 141 CB PRO A 10 28.933 -9.237 2.792 1.00 25.35 C ATOM 142 CG PRO A 10 28.017 -9.747 3.850 1.00 20.54 C ATOM 143 CD PRO A 10 26.627 -9.389 3.402 1.00 21.13 C ATOM 0 HA PRO A 10 28.359 -8.603 0.756 1.00 2.23 H new ATOM 0 HB2 PRO A 10 29.857 -9.813 2.757 1.00 25.35 H new ATOM 0 HB3 PRO A 10 29.211 -8.199 2.976 1.00 25.35 H new ATOM 0 HG2 PRO A 10 28.122 -10.825 3.971 1.00 20.54 H new ATOM 0 HG3 PRO A 10 28.245 -9.294 4.815 1.00 20.54 H new ATOM 0 HD2 PRO A 10 25.898 -10.135 3.719 1.00 21.13 H new ATOM 0 HD3 PRO A 10 26.305 -8.433 3.815 1.00 21.13 H new ATOM 151 N GLU A 11 29.249 -10.598 -0.290 1.00 12.32 N ATOM 152 CA GLU A 11 29.649 -11.779 -1.045 1.00 21.44 C ATOM 153 C GLU A 11 30.192 -12.861 -0.115 1.00 5.52 C ATOM 154 O GLU A 11 30.526 -12.591 1.039 1.00 55.13 O ATOM 155 CB GLU A 11 30.705 -11.411 -2.089 1.00 23.33 C ATOM 156 CG GLU A 11 30.164 -10.569 -3.232 1.00 34.33 C ATOM 157 CD GLU A 11 31.175 -10.376 -4.345 1.00 24.44 C ATOM 158 OE1 GLU A 11 32.347 -10.074 -4.036 1.00 61.52 O ATOM 159 OE2 GLU A 11 30.795 -10.528 -5.524 1.00 53.14 O ATOM 0 H GLU A 11 29.601 -9.718 -0.666 1.00 12.32 H new ATOM 0 HA GLU A 11 28.767 -12.170 -1.553 1.00 21.44 H new ATOM 0 HB2 GLU A 11 31.513 -10.868 -1.600 1.00 23.33 H new ATOM 0 HB3 GLU A 11 31.136 -12.326 -2.495 1.00 23.33 H new ATOM 0 HG2 GLU A 11 29.270 -11.044 -3.637 1.00 34.33 H new ATOM 0 HG3 GLU A 11 29.861 -9.595 -2.849 1.00 34.33 H new ATOM 166 N GLU A 12 30.278 -14.085 -0.626 1.00 51.43 N ATOM 167 CA GLU A 12 30.779 -15.207 0.159 1.00 43.53 C ATOM 168 C GLU A 12 29.847 -15.512 1.327 1.00 21.55 C ATOM 169 O GLU A 12 30.275 -16.037 2.355 1.00 13.13 O ATOM 170 CB GLU A 12 32.186 -14.905 0.679 1.00 21.05 C ATOM 171 CG GLU A 12 33.130 -16.093 0.605 1.00 23.22 C ATOM 172 CD GLU A 12 34.126 -16.119 1.748 1.00 23.33 C ATOM 173 OE1 GLU A 12 33.698 -15.961 2.911 1.00 43.51 O ATOM 174 OE2 GLU A 12 35.333 -16.298 1.481 1.00 73.11 O ATOM 0 H GLU A 12 30.007 -14.325 -1.580 1.00 51.43 H new ATOM 0 HA GLU A 12 30.819 -16.083 -0.489 1.00 43.53 H new ATOM 0 HB2 GLU A 12 32.607 -14.080 0.104 1.00 21.05 H new ATOM 0 HB3 GLU A 12 32.118 -14.570 1.714 1.00 21.05 H new ATOM 0 HG2 GLU A 12 32.549 -17.015 0.613 1.00 23.22 H new ATOM 0 HG3 GLU A 12 33.670 -16.065 -0.342 1.00 23.22 H new ATOM 181 N ALA A 13 28.571 -15.180 1.162 1.00 61.14 N ATOM 182 CA ALA A 13 27.578 -15.420 2.201 1.00 31.10 C ATOM 183 C ALA A 13 27.131 -16.878 2.208 1.00 65.23 C ATOM 184 O ALA A 13 26.259 -17.275 1.435 1.00 40.01 O ATOM 185 CB ALA A 13 26.381 -14.501 2.010 1.00 51.53 C ATOM 0 H ALA A 13 28.201 -14.744 0.318 1.00 61.14 H new ATOM 0 HA ALA A 13 28.039 -15.204 3.165 1.00 31.10 H new ATOM 0 HB1 ALA A 13 25.647 -14.692 2.793 1.00 51.53 H new ATOM 0 HB2 ALA A 13 26.707 -13.462 2.063 1.00 51.53 H new ATOM 0 HB3 ALA A 13 25.929 -14.690 1.036 1.00 51.53 H new ATOM 191 N LYS A 14 27.736 -17.673 3.084 1.00 33.13 N ATOM 192 CA LYS A 14 27.401 -19.088 3.193 1.00 52.03 C ATOM 193 C LYS A 14 25.895 -19.281 3.345 1.00 3.40 C ATOM 194 O LYS A 14 25.201 -18.422 3.890 1.00 5.43 O ATOM 195 CB LYS A 14 28.129 -19.716 4.383 1.00 0.12 C ATOM 196 CG LYS A 14 27.897 -18.984 5.693 1.00 14.34 C ATOM 197 CD LYS A 14 29.098 -18.138 6.080 1.00 2.14 C ATOM 198 CE LYS A 14 29.137 -17.877 7.578 1.00 22.24 C ATOM 199 NZ LYS A 14 30.302 -17.033 7.964 1.00 33.24 N ATOM 0 H LYS A 14 28.462 -17.361 3.729 1.00 33.13 H new ATOM 0 HA LYS A 14 27.722 -19.583 2.276 1.00 52.03 H new ATOM 0 HB2 LYS A 14 27.804 -20.751 4.492 1.00 0.12 H new ATOM 0 HB3 LYS A 14 29.198 -19.738 4.173 1.00 0.12 H new ATOM 0 HG2 LYS A 14 27.016 -18.348 5.604 1.00 14.34 H new ATOM 0 HG3 LYS A 14 27.690 -19.706 6.483 1.00 14.34 H new ATOM 0 HD2 LYS A 14 30.014 -18.643 5.774 1.00 2.14 H new ATOM 0 HD3 LYS A 14 29.063 -17.189 5.545 1.00 2.14 H new ATOM 0 HE2 LYS A 14 28.214 -17.385 7.885 1.00 22.24 H new ATOM 0 HE3 LYS A 14 29.184 -18.827 8.111 1.00 22.24 H new ATOM 0 HZ1 LYS A 14 30.293 -16.878 8.992 1.00 33.24 H new ATOM 0 HZ2 LYS A 14 31.184 -17.514 7.694 1.00 33.24 H new ATOM 0 HZ3 LYS A 14 30.244 -16.117 7.475 1.00 33.24 H new ATOM 213 N HIS A 15 25.396 -20.414 2.861 1.00 2.32 N ATOM 214 CA HIS A 15 23.973 -20.720 2.946 1.00 54.41 C ATOM 215 C HIS A 15 23.463 -20.545 4.373 1.00 3.34 C ATOM 216 O HIS A 15 24.003 -21.129 5.312 1.00 62.23 O ATOM 217 CB HIS A 15 23.707 -22.148 2.469 1.00 40.33 C ATOM 218 CG HIS A 15 24.080 -22.380 1.037 1.00 53.22 C ATOM 219 ND1 HIS A 15 24.036 -23.622 0.440 1.00 41.14 N ATOM 220 CD2 HIS A 15 24.503 -21.519 0.081 1.00 33.34 C ATOM 221 CE1 HIS A 15 24.418 -23.516 -0.821 1.00 0.34 C ATOM 222 NE2 HIS A 15 24.706 -22.250 -1.063 1.00 42.24 N ATOM 0 H HIS A 15 25.956 -21.135 2.406 1.00 2.32 H new ATOM 0 HA HIS A 15 23.438 -20.023 2.300 1.00 54.41 H new ATOM 0 HB2 HIS A 15 24.264 -22.842 3.098 1.00 40.33 H new ATOM 0 HB3 HIS A 15 22.649 -22.376 2.602 1.00 40.33 H new ATOM 0 HD2 HIS A 15 24.653 -20.456 0.197 1.00 33.34 H new ATOM 0 HE1 HIS A 15 24.483 -24.326 -1.532 1.00 0.34 H new ATOM 0 HE2 HIS A 15 25.027 -21.876 -1.956 1.00 42.24 H new ATOM 230 N GLY A 16 22.420 -19.735 4.530 1.00 42.13 N ATOM 231 CA GLY A 16 21.856 -19.497 5.846 1.00 44.14 C ATOM 232 C GLY A 16 22.213 -18.128 6.390 1.00 54.10 C ATOM 233 O GLY A 16 21.900 -17.806 7.537 1.00 61.20 O ATOM 0 H GLY A 16 21.956 -19.239 3.769 1.00 42.13 H new ATOM 0 HA2 GLY A 16 20.771 -19.593 5.796 1.00 44.14 H new ATOM 0 HA3 GLY A 16 22.213 -20.263 6.535 1.00 44.14 H new ATOM 237 N THR A 17 22.871 -17.318 5.566 1.00 12.13 N ATOM 238 CA THR A 17 23.273 -15.977 5.972 1.00 34.12 C ATOM 239 C THR A 17 22.130 -14.984 5.796 1.00 13.24 C ATOM 240 O THR A 17 21.431 -14.999 4.783 1.00 33.30 O ATOM 241 CB THR A 17 24.491 -15.488 5.167 1.00 2.11 C ATOM 242 OG1 THR A 17 25.609 -16.353 5.396 1.00 20.11 O ATOM 243 CG2 THR A 17 24.859 -14.063 5.554 1.00 73.25 C ATOM 0 H THR A 17 23.137 -17.568 4.613 1.00 12.13 H new ATOM 0 HA THR A 17 23.543 -16.033 7.027 1.00 34.12 H new ATOM 0 HB THR A 17 24.230 -15.505 4.109 1.00 2.11 H new ATOM 0 HG1 THR A 17 25.663 -17.016 4.676 1.00 20.11 H new ATOM 0 HG21 THR A 17 25.722 -13.739 4.972 1.00 73.25 H new ATOM 0 HG22 THR A 17 24.016 -13.402 5.352 1.00 73.25 H new ATOM 0 HG23 THR A 17 25.102 -14.026 6.616 1.00 73.25 H new ATOM 251 N PHE A 18 21.945 -14.120 6.789 1.00 11.30 N ATOM 252 CA PHE A 18 20.886 -13.118 6.744 1.00 72.42 C ATOM 253 C PHE A 18 21.057 -12.200 5.538 1.00 40.35 C ATOM 254 O PHE A 18 22.176 -11.936 5.098 1.00 42.13 O ATOM 255 CB PHE A 18 20.881 -12.292 8.032 1.00 74.24 C ATOM 256 CG PHE A 18 20.851 -10.810 7.793 1.00 54.34 C ATOM 257 CD1 PHE A 18 19.646 -10.147 7.618 1.00 64.03 C ATOM 258 CD2 PHE A 18 22.027 -10.079 7.743 1.00 14.43 C ATOM 259 CE1 PHE A 18 19.616 -8.783 7.397 1.00 62.01 C ATOM 260 CE2 PHE A 18 22.003 -8.714 7.523 1.00 34.21 C ATOM 261 CZ PHE A 18 20.796 -8.066 7.351 1.00 54.43 C ATOM 0 H PHE A 18 22.515 -14.094 7.635 1.00 11.30 H new ATOM 0 HA PHE A 18 19.932 -13.637 6.650 1.00 72.42 H new ATOM 0 HB2 PHE A 18 20.015 -12.573 8.631 1.00 74.24 H new ATOM 0 HB3 PHE A 18 21.767 -12.540 8.617 1.00 74.24 H new ATOM 0 HD1 PHE A 18 18.721 -10.703 7.655 1.00 64.03 H new ATOM 0 HD2 PHE A 18 22.974 -10.581 7.877 1.00 14.43 H new ATOM 0 HE1 PHE A 18 18.671 -8.278 7.260 1.00 62.01 H new ATOM 0 HE2 PHE A 18 22.927 -8.156 7.486 1.00 34.21 H new ATOM 0 HZ PHE A 18 20.774 -7.000 7.181 1.00 54.43 H new ATOM 271 N VAL A 19 19.939 -11.716 5.006 1.00 13.44 N ATOM 272 CA VAL A 19 19.964 -10.826 3.851 1.00 34.14 C ATOM 273 C VAL A 19 19.163 -9.556 4.118 1.00 24.25 C ATOM 274 O VAL A 19 19.658 -8.446 3.925 1.00 34.31 O ATOM 275 CB VAL A 19 19.401 -11.520 2.597 1.00 42.25 C ATOM 276 CG1 VAL A 19 19.565 -10.628 1.375 1.00 72.51 C ATOM 277 CG2 VAL A 19 20.081 -12.864 2.381 1.00 0.52 C ATOM 0 H VAL A 19 19.004 -11.925 5.357 1.00 13.44 H new ATOM 0 HA VAL A 19 21.007 -10.564 3.676 1.00 34.14 H new ATOM 0 HB VAL A 19 18.336 -11.698 2.748 1.00 42.25 H new ATOM 0 HG11 VAL A 19 19.162 -11.134 0.498 1.00 72.51 H new ATOM 0 HG12 VAL A 19 19.028 -9.693 1.533 1.00 72.51 H new ATOM 0 HG13 VAL A 19 20.623 -10.417 1.218 1.00 72.51 H new ATOM 0 HG21 VAL A 19 19.671 -13.340 1.491 1.00 0.52 H new ATOM 0 HG22 VAL A 19 21.153 -12.713 2.251 1.00 0.52 H new ATOM 0 HG23 VAL A 19 19.907 -13.503 3.247 1.00 0.52 H new ATOM 287 N GLY A 20 17.923 -9.728 4.565 1.00 12.21 N ATOM 288 CA GLY A 20 17.073 -8.587 4.852 1.00 3.32 C ATOM 289 C GLY A 20 15.662 -8.994 5.228 1.00 64.15 C ATOM 290 O GLY A 20 15.173 -10.036 4.790 1.00 11.33 O ATOM 0 H GLY A 20 17.492 -10.637 4.734 1.00 12.21 H new ATOM 0 HA2 GLY A 20 17.510 -8.008 5.666 1.00 3.32 H new ATOM 0 HA3 GLY A 20 17.039 -7.935 3.979 1.00 3.32 H new ATOM 294 N ARG A 21 15.007 -8.172 6.041 1.00 25.31 N ATOM 295 CA ARG A 21 13.645 -8.454 6.478 1.00 63.45 C ATOM 296 C ARG A 21 12.648 -8.185 5.355 1.00 52.33 C ATOM 297 O ARG A 21 12.333 -7.033 5.055 1.00 40.35 O ATOM 298 CB ARG A 21 13.293 -7.607 7.701 1.00 3.24 C ATOM 299 CG ARG A 21 12.902 -8.428 8.919 1.00 74.11 C ATOM 300 CD ARG A 21 13.070 -7.633 10.204 1.00 32.55 C ATOM 301 NE ARG A 21 12.057 -7.979 11.198 1.00 30.42 N ATOM 302 CZ ARG A 21 12.038 -9.132 11.858 1.00 61.44 C ATOM 303 NH1 ARG A 21 12.972 -10.045 11.630 1.00 23.33 N ATOM 304 NH2 ARG A 21 11.083 -9.374 12.747 1.00 4.20 N ATOM 0 H ARG A 21 15.398 -7.305 6.410 1.00 25.31 H new ATOM 0 HA ARG A 21 13.587 -9.509 6.747 1.00 63.45 H new ATOM 0 HB2 ARG A 21 14.147 -6.979 7.956 1.00 3.24 H new ATOM 0 HB3 ARG A 21 12.471 -6.938 7.445 1.00 3.24 H new ATOM 0 HG2 ARG A 21 11.866 -8.752 8.823 1.00 74.11 H new ATOM 0 HG3 ARG A 21 13.515 -9.328 8.964 1.00 74.11 H new ATOM 0 HD2 ARG A 21 14.062 -7.818 10.617 1.00 32.55 H new ATOM 0 HD3 ARG A 21 13.011 -6.568 9.982 1.00 32.55 H new ATOM 0 HE ARG A 21 11.324 -7.298 11.396 1.00 30.42 H new ATOM 0 HH11 ARG A 21 13.707 -9.863 10.947 1.00 23.33 H new ATOM 0 HH12 ARG A 21 12.955 -10.929 12.138 1.00 23.33 H new ATOM 0 HH21 ARG A 21 10.362 -8.674 12.924 1.00 4.20 H new ATOM 0 HH22 ARG A 21 11.070 -10.260 13.253 1.00 4.20 H new ATOM 318 N ILE A 22 12.155 -9.254 4.738 1.00 4.24 N ATOM 319 CA ILE A 22 11.194 -9.132 3.650 1.00 72.12 C ATOM 320 C ILE A 22 9.828 -8.695 4.169 1.00 62.11 C ATOM 321 O ILE A 22 9.169 -7.845 3.572 1.00 50.51 O ATOM 322 CB ILE A 22 11.039 -10.460 2.884 1.00 12.44 C ATOM 323 CG1 ILE A 22 9.982 -10.320 1.787 1.00 71.31 C ATOM 324 CG2 ILE A 22 10.671 -11.583 3.842 1.00 70.20 C ATOM 325 CD1 ILE A 22 9.814 -11.567 0.947 1.00 24.55 C ATOM 0 H ILE A 22 12.406 -10.214 4.974 1.00 4.24 H new ATOM 0 HA ILE A 22 11.582 -8.373 2.970 1.00 72.12 H new ATOM 0 HB ILE A 22 11.992 -10.706 2.415 1.00 12.44 H new ATOM 0 HG12 ILE A 22 9.025 -10.069 2.245 1.00 71.31 H new ATOM 0 HG13 ILE A 22 10.252 -9.488 1.137 1.00 71.31 H new ATOM 0 HG21 ILE A 22 10.565 -12.515 3.287 1.00 70.20 H new ATOM 0 HG22 ILE A 22 11.455 -11.694 4.591 1.00 70.20 H new ATOM 0 HG23 ILE A 22 9.729 -11.346 4.336 1.00 70.20 H new ATOM 0 HD11 ILE A 22 9.049 -11.395 0.190 1.00 24.55 H new ATOM 0 HD12 ILE A 22 10.759 -11.808 0.460 1.00 24.55 H new ATOM 0 HD13 ILE A 22 9.513 -12.398 1.585 1.00 24.55 H new ATOM 337 N ALA A 23 9.410 -9.282 5.286 1.00 43.13 N ATOM 338 CA ALA A 23 8.125 -8.950 5.888 1.00 30.40 C ATOM 339 C ALA A 23 8.141 -7.544 6.477 1.00 22.12 C ATOM 340 O ALA A 23 7.275 -6.725 6.174 1.00 54.25 O ATOM 341 CB ALA A 23 7.766 -9.969 6.959 1.00 33.52 C ATOM 0 H ALA A 23 9.943 -9.990 5.792 1.00 43.13 H new ATOM 0 HA ALA A 23 7.367 -8.978 5.105 1.00 30.40 H new ATOM 0 HB1 ALA A 23 6.804 -9.709 7.401 1.00 33.52 H new ATOM 0 HB2 ALA A 23 7.704 -10.961 6.511 1.00 33.52 H new ATOM 0 HB3 ALA A 23 8.533 -9.968 7.734 1.00 33.52 H new ATOM 347 N GLN A 24 9.131 -7.272 7.321 1.00 25.41 N ATOM 348 CA GLN A 24 9.258 -5.965 7.954 1.00 44.35 C ATOM 349 C GLN A 24 9.248 -4.852 6.910 1.00 23.23 C ATOM 350 O GLN A 24 8.648 -3.798 7.119 1.00 55.04 O ATOM 351 CB GLN A 24 10.545 -5.896 8.777 1.00 4.13 C ATOM 352 CG GLN A 24 10.422 -5.041 10.028 1.00 2.11 C ATOM 353 CD GLN A 24 9.401 -5.584 11.008 1.00 22.23 C ATOM 354 OE1 GLN A 24 9.192 -6.794 11.098 1.00 64.52 O ATOM 355 NE2 GLN A 24 8.758 -4.690 11.750 1.00 25.25 N ATOM 0 H GLN A 24 9.857 -7.939 7.582 1.00 25.41 H new ATOM 0 HA GLN A 24 8.404 -5.826 8.617 1.00 44.35 H new ATOM 0 HB2 GLN A 24 10.837 -6.906 9.065 1.00 4.13 H new ATOM 0 HB3 GLN A 24 11.345 -5.498 8.152 1.00 4.13 H new ATOM 0 HG2 GLN A 24 11.394 -4.979 10.518 1.00 2.11 H new ATOM 0 HG3 GLN A 24 10.143 -4.026 9.744 1.00 2.11 H new ATOM 0 HE21 GLN A 24 8.962 -3.696 11.643 1.00 25.25 H new ATOM 0 HE22 GLN A 24 8.060 -4.997 12.427 1.00 25.25 H new ATOM 364 N ASP A 25 9.917 -5.094 5.788 1.00 23.04 N ATOM 365 CA ASP A 25 9.985 -4.113 4.712 1.00 52.32 C ATOM 366 C ASP A 25 8.674 -4.070 3.933 1.00 40.33 C ATOM 367 O ASP A 25 8.292 -3.029 3.397 1.00 51.44 O ATOM 368 CB ASP A 25 11.143 -4.439 3.768 1.00 42.32 C ATOM 369 CG ASP A 25 12.495 -4.306 4.442 1.00 35.33 C ATOM 370 OD1 ASP A 25 12.530 -4.217 5.687 1.00 34.12 O ATOM 371 OD2 ASP A 25 13.517 -4.291 3.725 1.00 0.11 O ATOM 0 H ASP A 25 10.420 -5.961 5.600 1.00 23.04 H new ATOM 0 HA ASP A 25 10.155 -3.133 5.157 1.00 52.32 H new ATOM 0 HB2 ASP A 25 11.026 -5.455 3.392 1.00 42.32 H new ATOM 0 HB3 ASP A 25 11.103 -3.774 2.906 1.00 42.32 H new ATOM 376 N LEU A 26 7.990 -5.207 3.873 1.00 51.21 N ATOM 377 CA LEU A 26 6.722 -5.300 3.158 1.00 15.11 C ATOM 378 C LEU A 26 5.613 -4.583 3.921 1.00 15.32 C ATOM 379 O LEU A 26 4.768 -3.914 3.327 1.00 71.32 O ATOM 380 CB LEU A 26 6.342 -6.766 2.942 1.00 52.11 C ATOM 381 CG LEU A 26 6.546 -7.310 1.528 1.00 72.53 C ATOM 382 CD1 LEU A 26 7.976 -7.075 1.066 1.00 34.11 C ATOM 383 CD2 LEU A 26 6.203 -8.792 1.472 1.00 15.01 C ATOM 0 H LEU A 26 8.292 -6.077 4.311 1.00 51.21 H new ATOM 0 HA LEU A 26 6.843 -4.816 2.189 1.00 15.11 H new ATOM 0 HB2 LEU A 26 6.924 -7.377 3.632 1.00 52.11 H new ATOM 0 HB3 LEU A 26 5.293 -6.892 3.211 1.00 52.11 H new ATOM 0 HG LEU A 26 5.876 -6.776 0.854 1.00 72.53 H new ATOM 0 HD11 LEU A 26 8.102 -7.469 0.058 1.00 34.11 H new ATOM 0 HD12 LEU A 26 8.188 -6.006 1.067 1.00 34.11 H new ATOM 0 HD13 LEU A 26 8.665 -7.582 1.742 1.00 34.11 H new ATOM 0 HD21 LEU A 26 6.354 -9.162 0.458 1.00 15.01 H new ATOM 0 HD22 LEU A 26 6.848 -9.341 2.159 1.00 15.01 H new ATOM 0 HD23 LEU A 26 5.161 -8.935 1.759 1.00 15.01 H new ATOM 395 N GLY A 27 5.623 -4.725 5.243 1.00 30.02 N ATOM 396 CA GLY A 27 4.615 -4.083 6.066 1.00 34.44 C ATOM 397 C GLY A 27 3.436 -4.992 6.354 1.00 62.44 C ATOM 398 O GLY A 27 2.284 -4.558 6.319 1.00 2.44 O ATOM 0 H GLY A 27 6.311 -5.273 5.759 1.00 30.02 H new ATOM 0 HA2 GLY A 27 5.066 -3.768 7.007 1.00 34.44 H new ATOM 0 HA3 GLY A 27 4.261 -3.182 5.565 1.00 34.44 H new ATOM 402 N LEU A 28 3.723 -6.258 6.636 1.00 72.52 N ATOM 403 CA LEU A 28 2.677 -7.233 6.929 1.00 42.34 C ATOM 404 C LEU A 28 3.030 -8.055 8.164 1.00 74.21 C ATOM 405 O LEU A 28 4.164 -8.022 8.640 1.00 13.31 O ATOM 406 CB LEU A 28 2.465 -8.158 5.729 1.00 33.23 C ATOM 407 CG LEU A 28 3.501 -8.054 4.609 1.00 33.25 C ATOM 408 CD1 LEU A 28 4.836 -8.623 5.063 1.00 2.23 C ATOM 409 CD2 LEU A 28 3.010 -8.772 3.361 1.00 70.14 C ATOM 0 H LEU A 28 4.671 -6.634 6.668 1.00 72.52 H new ATOM 0 HA LEU A 28 1.753 -6.690 7.129 1.00 42.34 H new ATOM 0 HB2 LEU A 28 2.449 -9.187 6.088 1.00 33.23 H new ATOM 0 HB3 LEU A 28 1.481 -7.953 5.307 1.00 33.23 H new ATOM 0 HG LEU A 28 3.642 -7.001 4.366 1.00 33.25 H new ATOM 0 HD11 LEU A 28 5.561 -8.541 4.253 1.00 2.23 H new ATOM 0 HD12 LEU A 28 5.194 -8.065 5.928 1.00 2.23 H new ATOM 0 HD13 LEU A 28 4.712 -9.672 5.333 1.00 2.23 H new ATOM 0 HD21 LEU A 28 3.760 -8.688 2.574 1.00 70.14 H new ATOM 0 HD22 LEU A 28 2.840 -9.824 3.590 1.00 70.14 H new ATOM 0 HD23 LEU A 28 2.078 -8.319 3.024 1.00 70.14 H new ATOM 421 N GLU A 29 2.050 -8.794 8.676 1.00 62.01 N ATOM 422 CA GLU A 29 2.259 -9.626 9.855 1.00 34.21 C ATOM 423 C GLU A 29 2.852 -10.978 9.469 1.00 20.01 C ATOM 424 O GLU A 29 2.283 -11.710 8.658 1.00 33.25 O ATOM 425 CB GLU A 29 0.939 -9.831 10.602 1.00 52.31 C ATOM 426 CG GLU A 29 0.980 -9.367 12.048 1.00 14.52 C ATOM 427 CD GLU A 29 1.316 -7.894 12.179 1.00 51.32 C ATOM 428 OE1 GLU A 29 1.088 -7.145 11.206 1.00 75.15 O ATOM 429 OE2 GLU A 29 1.807 -7.490 13.253 1.00 3.23 O ATOM 0 H GLU A 29 1.105 -8.833 8.293 1.00 62.01 H new ATOM 0 HA GLU A 29 2.964 -9.113 10.510 1.00 34.21 H new ATOM 0 HB2 GLU A 29 0.148 -9.294 10.079 1.00 52.31 H new ATOM 0 HB3 GLU A 29 0.677 -10.889 10.576 1.00 52.31 H new ATOM 0 HG2 GLU A 29 0.014 -9.558 12.514 1.00 14.52 H new ATOM 0 HG3 GLU A 29 1.719 -9.954 12.593 1.00 14.52 H new ATOM 436 N LEU A 30 4.000 -11.302 10.054 1.00 35.44 N ATOM 437 CA LEU A 30 4.672 -12.566 9.772 1.00 11.13 C ATOM 438 C LEU A 30 3.795 -13.750 10.169 1.00 44.42 C ATOM 439 O LEU A 30 3.993 -14.869 9.696 1.00 61.34 O ATOM 440 CB LEU A 30 6.007 -12.633 10.517 1.00 73.24 C ATOM 441 CG LEU A 30 7.160 -11.840 9.900 1.00 15.03 C ATOM 442 CD1 LEU A 30 8.202 -11.505 10.956 1.00 33.41 C ATOM 443 CD2 LEU A 30 7.789 -12.618 8.754 1.00 5.21 C ATOM 0 H LEU A 30 4.485 -10.707 10.726 1.00 35.44 H new ATOM 0 HA LEU A 30 4.858 -12.619 8.699 1.00 11.13 H new ATOM 0 HB2 LEU A 30 5.851 -12.276 11.535 1.00 73.24 H new ATOM 0 HB3 LEU A 30 6.308 -13.678 10.589 1.00 73.24 H new ATOM 0 HG LEU A 30 6.762 -10.906 9.503 1.00 15.03 H new ATOM 0 HD11 LEU A 30 9.015 -10.941 10.499 1.00 33.41 H new ATOM 0 HD12 LEU A 30 7.743 -10.907 11.743 1.00 33.41 H new ATOM 0 HD13 LEU A 30 8.596 -12.427 11.384 1.00 33.41 H new ATOM 0 HD21 LEU A 30 8.608 -12.039 8.327 1.00 5.21 H new ATOM 0 HD22 LEU A 30 8.172 -13.568 9.126 1.00 5.21 H new ATOM 0 HD23 LEU A 30 7.038 -12.806 7.986 1.00 5.21 H new ATOM 455 N THR A 31 2.824 -13.494 11.039 1.00 34.55 N ATOM 456 CA THR A 31 1.916 -14.538 11.499 1.00 53.20 C ATOM 457 C THR A 31 0.761 -14.731 10.523 1.00 52.22 C ATOM 458 O THR A 31 -0.142 -15.530 10.767 1.00 70.55 O ATOM 459 CB THR A 31 1.346 -14.213 12.893 1.00 70.03 C ATOM 460 OG1 THR A 31 1.224 -12.795 13.054 1.00 73.52 O ATOM 461 CG2 THR A 31 2.239 -14.778 13.987 1.00 12.23 C ATOM 0 H THR A 31 2.646 -12.573 11.440 1.00 34.55 H new ATOM 0 HA THR A 31 2.497 -15.459 11.558 1.00 53.20 H new ATOM 0 HB THR A 31 0.361 -14.673 12.976 1.00 70.03 H new ATOM 0 HG1 THR A 31 0.859 -12.597 13.942 1.00 73.52 H new ATOM 0 HG21 THR A 31 1.817 -14.536 14.962 1.00 12.23 H new ATOM 0 HG22 THR A 31 2.306 -15.861 13.879 1.00 12.23 H new ATOM 0 HG23 THR A 31 3.235 -14.343 13.905 1.00 12.23 H new ATOM 469 N GLU A 32 0.797 -13.994 9.417 1.00 10.52 N ATOM 470 CA GLU A 32 -0.248 -14.085 8.405 1.00 52.25 C ATOM 471 C GLU A 32 0.317 -14.600 7.084 1.00 42.31 C ATOM 472 O GLU A 32 -0.383 -14.646 6.071 1.00 1.35 O ATOM 473 CB GLU A 32 -0.905 -12.719 8.193 1.00 62.01 C ATOM 474 CG GLU A 32 -1.788 -12.282 9.350 1.00 60.44 C ATOM 475 CD GLU A 32 -2.884 -11.327 8.919 1.00 43.13 C ATOM 476 OE1 GLU A 32 -3.944 -11.807 8.466 1.00 51.23 O ATOM 477 OE2 GLU A 32 -2.681 -10.100 9.034 1.00 72.20 O ATOM 0 H GLU A 32 1.538 -13.328 9.200 1.00 10.52 H new ATOM 0 HA GLU A 32 -1.000 -14.791 8.759 1.00 52.25 H new ATOM 0 HB2 GLU A 32 -0.127 -11.971 8.038 1.00 62.01 H new ATOM 0 HB3 GLU A 32 -1.503 -12.750 7.282 1.00 62.01 H new ATOM 0 HG2 GLU A 32 -2.238 -13.161 9.811 1.00 60.44 H new ATOM 0 HG3 GLU A 32 -1.172 -11.803 10.111 1.00 60.44 H new ATOM 484 N LEU A 33 1.588 -14.985 7.102 1.00 62.41 N ATOM 485 CA LEU A 33 2.250 -15.497 5.906 1.00 15.33 C ATOM 486 C LEU A 33 1.649 -16.833 5.481 1.00 11.20 C ATOM 487 O LEU A 33 1.417 -17.072 4.296 1.00 64.21 O ATOM 488 CB LEU A 33 3.750 -15.656 6.158 1.00 31.22 C ATOM 489 CG LEU A 33 4.458 -14.452 6.780 1.00 12.02 C ATOM 490 CD1 LEU A 33 5.769 -14.877 7.422 1.00 3.23 C ATOM 491 CD2 LEU A 33 4.699 -13.375 5.732 1.00 31.33 C ATOM 0 H LEU A 33 2.181 -14.953 7.931 1.00 62.41 H new ATOM 0 HA LEU A 33 2.098 -14.779 5.100 1.00 15.33 H new ATOM 0 HB2 LEU A 33 3.899 -16.517 6.810 1.00 31.22 H new ATOM 0 HB3 LEU A 33 4.235 -15.887 5.209 1.00 31.22 H new ATOM 0 HG LEU A 33 3.815 -14.038 7.556 1.00 12.02 H new ATOM 0 HD11 LEU A 33 6.259 -14.007 7.859 1.00 3.23 H new ATOM 0 HD12 LEU A 33 5.571 -15.612 8.202 1.00 3.23 H new ATOM 0 HD13 LEU A 33 6.419 -15.317 6.666 1.00 3.23 H new ATOM 0 HD21 LEU A 33 5.204 -12.526 6.192 1.00 31.33 H new ATOM 0 HD22 LEU A 33 5.322 -13.778 4.933 1.00 31.33 H new ATOM 0 HD23 LEU A 33 3.744 -13.049 5.319 1.00 31.33 H new ATOM 503 N VAL A 34 1.397 -17.700 6.457 1.00 53.24 N ATOM 504 CA VAL A 34 0.819 -19.011 6.184 1.00 5.41 C ATOM 505 C VAL A 34 -0.463 -18.888 5.368 1.00 4.24 C ATOM 506 O VAL A 34 -0.588 -19.442 4.276 1.00 13.21 O ATOM 507 CB VAL A 34 0.514 -19.772 7.488 1.00 3.41 C ATOM 508 CG1 VAL A 34 -0.682 -20.692 7.302 1.00 53.11 C ATOM 509 CG2 VAL A 34 1.735 -20.556 7.945 1.00 71.24 C ATOM 0 H VAL A 34 1.584 -17.518 7.443 1.00 53.24 H new ATOM 0 HA VAL A 34 1.558 -19.570 5.610 1.00 5.41 H new ATOM 0 HB VAL A 34 0.266 -19.046 8.263 1.00 3.41 H new ATOM 0 HG11 VAL A 34 -0.882 -21.221 8.234 1.00 53.11 H new ATOM 0 HG12 VAL A 34 -1.555 -20.102 7.025 1.00 53.11 H new ATOM 0 HG13 VAL A 34 -0.467 -21.414 6.514 1.00 53.11 H new ATOM 0 HG21 VAL A 34 1.502 -21.088 8.868 1.00 71.24 H new ATOM 0 HG22 VAL A 34 2.016 -21.273 7.174 1.00 71.24 H new ATOM 0 HG23 VAL A 34 2.563 -19.870 8.121 1.00 71.24 H new ATOM 519 N PRO A 35 -1.439 -18.144 5.909 1.00 1.21 N ATOM 520 CA PRO A 35 -2.729 -17.929 5.248 1.00 74.35 C ATOM 521 C PRO A 35 -2.607 -17.046 4.011 1.00 50.13 C ATOM 522 O PRO A 35 -3.512 -17.000 3.177 1.00 63.40 O ATOM 523 CB PRO A 35 -3.567 -17.232 6.322 1.00 12.21 C ATOM 524 CG PRO A 35 -2.571 -16.565 7.206 1.00 45.21 C ATOM 525 CD PRO A 35 -1.358 -17.454 7.208 1.00 61.14 C ATOM 0 HA PRO A 35 -3.163 -18.862 4.889 1.00 74.35 H new ATOM 0 HB2 PRO A 35 -4.253 -16.508 5.881 1.00 12.21 H new ATOM 0 HB3 PRO A 35 -4.173 -17.948 6.878 1.00 12.21 H new ATOM 0 HG2 PRO A 35 -2.325 -15.570 6.835 1.00 45.21 H new ATOM 0 HG3 PRO A 35 -2.966 -16.441 8.214 1.00 45.21 H new ATOM 0 HD2 PRO A 35 -0.437 -16.878 7.300 1.00 61.14 H new ATOM 0 HD3 PRO A 35 -1.378 -18.159 8.039 1.00 61.14 H new ATOM 533 N ARG A 36 -1.483 -16.346 3.898 1.00 40.11 N ATOM 534 CA ARG A 36 -1.243 -15.463 2.763 1.00 72.23 C ATOM 535 C ARG A 36 -0.562 -16.216 1.623 1.00 11.43 C ATOM 536 O ARG A 36 -0.229 -15.632 0.591 1.00 1.31 O ATOM 537 CB ARG A 36 -0.382 -14.272 3.188 1.00 33.42 C ATOM 538 CG ARG A 36 -1.182 -13.125 3.784 1.00 24.01 C ATOM 539 CD ARG A 36 -0.278 -12.118 4.478 1.00 42.34 C ATOM 540 NE ARG A 36 -0.087 -10.912 3.677 1.00 43.53 N ATOM 541 CZ ARG A 36 -0.973 -9.925 3.611 1.00 15.31 C ATOM 542 NH1 ARG A 36 -2.106 -10.001 4.296 1.00 54.54 N ATOM 543 NH2 ARG A 36 -0.728 -8.859 2.860 1.00 45.11 N ATOM 0 H ARG A 36 -0.724 -16.373 4.579 1.00 40.11 H new ATOM 0 HA ARG A 36 -2.207 -15.097 2.410 1.00 72.23 H new ATOM 0 HB2 ARG A 36 0.354 -14.609 3.918 1.00 33.42 H new ATOM 0 HB3 ARG A 36 0.171 -13.907 2.323 1.00 33.42 H new ATOM 0 HG2 ARG A 36 -1.747 -12.626 2.997 1.00 24.01 H new ATOM 0 HG3 ARG A 36 -1.907 -13.517 4.497 1.00 24.01 H new ATOM 0 HD2 ARG A 36 -0.709 -11.848 5.442 1.00 42.34 H new ATOM 0 HD3 ARG A 36 0.690 -12.577 4.678 1.00 42.34 H new ATOM 0 HE ARG A 36 0.775 -10.823 3.138 1.00 43.53 H new ATOM 0 HH11 ARG A 36 -2.298 -10.819 4.875 1.00 54.54 H new ATOM 0 HH12 ARG A 36 -2.785 -9.242 4.244 1.00 54.54 H new ATOM 0 HH21 ARG A 36 0.142 -8.796 2.332 1.00 45.11 H new ATOM 0 HH22 ARG A 36 -1.410 -8.102 2.811 1.00 45.11 H new ATOM 557 N LEU A 37 -0.358 -17.514 1.817 1.00 2.35 N ATOM 558 CA LEU A 37 0.284 -18.347 0.807 1.00 42.25 C ATOM 559 C LEU A 37 1.545 -17.677 0.269 1.00 31.04 C ATOM 560 O LEU A 37 1.682 -17.463 -0.935 1.00 73.14 O ATOM 561 CB LEU A 37 -0.686 -18.629 -0.342 1.00 12.51 C ATOM 562 CG LEU A 37 -1.591 -19.849 -0.172 1.00 32.33 C ATOM 563 CD1 LEU A 37 -0.759 -21.114 -0.024 1.00 55.10 C ATOM 564 CD2 LEU A 37 -2.509 -19.669 1.028 1.00 34.43 C ATOM 0 H LEU A 37 -0.628 -18.012 2.665 1.00 2.35 H new ATOM 0 HA LEU A 37 0.567 -19.289 1.276 1.00 42.25 H new ATOM 0 HB2 LEU A 37 -1.316 -17.751 -0.483 1.00 12.51 H new ATOM 0 HB3 LEU A 37 -0.107 -18.756 -1.257 1.00 12.51 H new ATOM 0 HG LEU A 37 -2.208 -19.947 -1.065 1.00 32.33 H new ATOM 0 HD11 LEU A 37 -1.420 -21.972 0.096 1.00 55.10 H new ATOM 0 HD12 LEU A 37 -0.144 -21.251 -0.913 1.00 55.10 H new ATOM 0 HD13 LEU A 37 -0.116 -21.026 0.852 1.00 55.10 H new ATOM 0 HD21 LEU A 37 -3.146 -20.547 1.134 1.00 34.43 H new ATOM 0 HD22 LEU A 37 -1.909 -19.545 1.930 1.00 34.43 H new ATOM 0 HD23 LEU A 37 -3.130 -18.785 0.881 1.00 34.43 H new ATOM 576 N PHE A 38 2.465 -17.350 1.171 1.00 51.01 N ATOM 577 CA PHE A 38 3.716 -16.706 0.788 1.00 53.34 C ATOM 578 C PHE A 38 4.573 -17.642 -0.059 1.00 30.44 C ATOM 579 O PHE A 38 4.718 -18.823 0.257 1.00 25.35 O ATOM 580 CB PHE A 38 4.492 -16.270 2.032 1.00 21.52 C ATOM 581 CG PHE A 38 5.237 -14.979 1.853 1.00 41.33 C ATOM 582 CD1 PHE A 38 4.589 -13.763 2.001 1.00 75.22 C ATOM 583 CD2 PHE A 38 6.586 -14.980 1.536 1.00 0.24 C ATOM 584 CE1 PHE A 38 5.272 -12.573 1.835 1.00 34.33 C ATOM 585 CE2 PHE A 38 7.275 -13.793 1.370 1.00 14.21 C ATOM 586 CZ PHE A 38 6.617 -12.588 1.521 1.00 55.02 C ATOM 0 H PHE A 38 2.368 -17.520 2.172 1.00 51.01 H new ATOM 0 HA PHE A 38 3.475 -15.826 0.193 1.00 53.34 H new ATOM 0 HB2 PHE A 38 3.797 -16.167 2.866 1.00 21.52 H new ATOM 0 HB3 PHE A 38 5.200 -17.054 2.302 1.00 21.52 H new ATOM 0 HD1 PHE A 38 3.538 -13.745 2.249 1.00 75.22 H new ATOM 0 HD2 PHE A 38 7.105 -15.919 1.417 1.00 0.24 H new ATOM 0 HE1 PHE A 38 4.754 -11.632 1.951 1.00 34.33 H new ATOM 0 HE2 PHE A 38 8.326 -13.808 1.123 1.00 14.21 H new ATOM 0 HZ PHE A 38 7.153 -11.659 1.394 1.00 55.02 H new ATOM 596 N ARG A 39 5.138 -17.107 -1.136 1.00 13.42 N ATOM 597 CA ARG A 39 5.979 -17.894 -2.029 1.00 51.11 C ATOM 598 C ARG A 39 7.028 -17.015 -2.703 1.00 5.22 C ATOM 599 O ARG A 39 6.767 -15.857 -3.029 1.00 2.21 O ATOM 600 CB ARG A 39 5.123 -18.589 -3.090 1.00 11.42 C ATOM 601 CG ARG A 39 4.901 -20.068 -2.820 1.00 14.20 C ATOM 602 CD ARG A 39 6.187 -20.863 -2.979 1.00 2.40 C ATOM 603 NE ARG A 39 5.929 -22.258 -3.326 1.00 4.40 N ATOM 604 CZ ARG A 39 5.588 -22.661 -4.545 1.00 0.32 C ATOM 605 NH1 ARG A 39 5.464 -21.780 -5.528 1.00 5.53 N ATOM 606 NH2 ARG A 39 5.370 -23.948 -4.782 1.00 50.24 N ATOM 0 H ARG A 39 5.028 -16.131 -1.411 1.00 13.42 H new ATOM 0 HA ARG A 39 6.491 -18.649 -1.433 1.00 51.11 H new ATOM 0 HB2 ARG A 39 4.156 -18.090 -3.149 1.00 11.42 H new ATOM 0 HB3 ARG A 39 5.601 -18.474 -4.063 1.00 11.42 H new ATOM 0 HG2 ARG A 39 4.513 -20.200 -1.810 1.00 14.20 H new ATOM 0 HG3 ARG A 39 4.146 -20.455 -3.505 1.00 14.20 H new ATOM 0 HD2 ARG A 39 6.803 -20.405 -3.753 1.00 2.40 H new ATOM 0 HD3 ARG A 39 6.757 -20.820 -2.051 1.00 2.40 H new ATOM 0 HE ARG A 39 6.015 -22.961 -2.592 1.00 4.40 H new ATOM 0 HH11 ARG A 39 5.631 -20.790 -5.349 1.00 5.53 H new ATOM 0 HH12 ARG A 39 5.202 -22.093 -6.463 1.00 5.53 H new ATOM 0 HH21 ARG A 39 5.464 -24.629 -4.028 1.00 50.24 H new ATOM 0 HH22 ARG A 39 5.108 -24.257 -5.718 1.00 50.24 H new ATOM 620 N VAL A 40 8.217 -17.573 -2.908 1.00 23.11 N ATOM 621 CA VAL A 40 9.306 -16.841 -3.543 1.00 5.21 C ATOM 622 C VAL A 40 9.505 -17.293 -4.985 1.00 65.21 C ATOM 623 O VAL A 40 9.350 -18.472 -5.304 1.00 10.43 O ATOM 624 CB VAL A 40 10.628 -17.021 -2.773 1.00 21.22 C ATOM 625 CG1 VAL A 40 11.762 -16.296 -3.481 1.00 63.42 C ATOM 626 CG2 VAL A 40 10.482 -16.528 -1.341 1.00 75.51 C ATOM 0 H VAL A 40 8.450 -18.530 -2.643 1.00 23.11 H new ATOM 0 HA VAL A 40 9.028 -15.787 -3.531 1.00 5.21 H new ATOM 0 HB VAL A 40 10.869 -18.084 -2.745 1.00 21.22 H new ATOM 0 HG11 VAL A 40 12.688 -16.435 -2.922 1.00 63.42 H new ATOM 0 HG12 VAL A 40 11.881 -16.700 -4.486 1.00 63.42 H new ATOM 0 HG13 VAL A 40 11.531 -15.232 -3.543 1.00 63.42 H new ATOM 0 HG21 VAL A 40 11.425 -16.663 -0.812 1.00 75.51 H new ATOM 0 HG22 VAL A 40 10.216 -15.471 -1.345 1.00 75.51 H new ATOM 0 HG23 VAL A 40 9.700 -17.097 -0.838 1.00 75.51 H new ATOM 636 N ALA A 41 9.851 -16.348 -5.854 1.00 30.45 N ATOM 637 CA ALA A 41 10.074 -16.650 -7.262 1.00 60.10 C ATOM 638 C ALA A 41 11.025 -15.641 -7.896 1.00 3.33 C ATOM 639 O ALA A 41 10.602 -14.584 -8.364 1.00 61.14 O ATOM 640 CB ALA A 41 8.751 -16.674 -8.013 1.00 33.45 C ATOM 0 H ALA A 41 9.983 -15.367 -5.607 1.00 30.45 H new ATOM 0 HA ALA A 41 10.535 -17.636 -7.328 1.00 60.10 H new ATOM 0 HB1 ALA A 41 8.933 -16.901 -9.063 1.00 33.45 H new ATOM 0 HB2 ALA A 41 8.103 -17.438 -7.584 1.00 33.45 H new ATOM 0 HB3 ALA A 41 8.268 -15.700 -7.930 1.00 33.45 H new ATOM 646 N SER A 42 12.312 -15.973 -7.906 1.00 3.12 N ATOM 647 CA SER A 42 13.324 -15.093 -8.478 1.00 44.21 C ATOM 648 C SER A 42 13.296 -15.152 -10.002 1.00 44.24 C ATOM 649 O SER A 42 12.819 -16.123 -10.590 1.00 12.24 O ATOM 650 CB SER A 42 14.714 -15.478 -7.967 1.00 31.41 C ATOM 651 OG SER A 42 15.637 -14.419 -8.151 1.00 31.04 O ATOM 0 H SER A 42 12.678 -16.845 -7.524 1.00 3.12 H new ATOM 0 HA SER A 42 13.100 -14.073 -8.167 1.00 44.21 H new ATOM 0 HB2 SER A 42 14.657 -15.735 -6.909 1.00 31.41 H new ATOM 0 HB3 SER A 42 15.065 -16.366 -8.493 1.00 31.41 H new ATOM 0 HG SER A 42 16.135 -14.560 -8.983 1.00 31.04 H new ATOM 657 N LYS A 43 13.812 -14.105 -10.638 1.00 70.11 N ATOM 658 CA LYS A 43 13.849 -14.036 -12.094 1.00 54.51 C ATOM 659 C LYS A 43 15.148 -14.624 -12.634 1.00 50.04 C ATOM 660 O LYS A 43 15.152 -15.312 -13.656 1.00 14.35 O ATOM 661 CB LYS A 43 13.701 -12.585 -12.560 1.00 34.32 C ATOM 662 CG LYS A 43 12.435 -12.329 -13.360 1.00 20.53 C ATOM 663 CD LYS A 43 12.752 -11.860 -14.770 1.00 12.13 C ATOM 664 CE LYS A 43 11.527 -11.931 -15.669 1.00 65.43 C ATOM 665 NZ LYS A 43 11.200 -13.333 -16.050 1.00 31.31 N ATOM 0 H LYS A 43 14.210 -13.292 -10.167 1.00 70.11 H new ATOM 0 HA LYS A 43 13.016 -14.623 -12.482 1.00 54.51 H new ATOM 0 HB2 LYS A 43 13.709 -11.930 -11.689 1.00 34.32 H new ATOM 0 HB3 LYS A 43 14.565 -12.318 -13.168 1.00 34.32 H new ATOM 0 HG2 LYS A 43 11.841 -13.242 -13.404 1.00 20.53 H new ATOM 0 HG3 LYS A 43 11.829 -11.578 -12.853 1.00 20.53 H new ATOM 0 HD2 LYS A 43 13.123 -10.836 -14.739 1.00 12.13 H new ATOM 0 HD3 LYS A 43 13.548 -12.475 -15.189 1.00 12.13 H new ATOM 0 HE2 LYS A 43 10.674 -11.485 -15.157 1.00 65.43 H new ATOM 0 HE3 LYS A 43 11.702 -11.341 -16.569 1.00 65.43 H new ATOM 0 HZ1 LYS A 43 10.483 -13.330 -16.804 1.00 31.31 H new ATOM 0 HZ2 LYS A 43 12.059 -13.809 -16.391 1.00 31.31 H new ATOM 0 HZ3 LYS A 43 10.829 -13.840 -15.221 1.00 31.31 H new ATOM 679 N ASP A 44 16.249 -14.351 -11.942 1.00 55.45 N ATOM 680 CA ASP A 44 17.554 -14.855 -12.352 1.00 21.34 C ATOM 681 C ASP A 44 17.509 -16.364 -12.571 1.00 30.45 C ATOM 682 O ASP A 44 17.482 -16.836 -13.707 1.00 73.13 O ATOM 683 CB ASP A 44 18.610 -14.511 -11.300 1.00 61.31 C ATOM 684 CG ASP A 44 19.137 -13.098 -11.450 1.00 10.34 C ATOM 685 OD1 ASP A 44 18.690 -12.393 -12.379 1.00 10.43 O ATOM 686 OD2 ASP A 44 19.996 -12.696 -10.637 1.00 73.01 O ATOM 0 H ASP A 44 16.263 -13.783 -11.095 1.00 55.45 H new ATOM 0 HA ASP A 44 17.822 -14.377 -13.294 1.00 21.34 H new ATOM 0 HB2 ASP A 44 18.181 -14.632 -10.305 1.00 61.31 H new ATOM 0 HB3 ASP A 44 19.439 -15.215 -11.377 1.00 61.31 H new ATOM 691 N ARG A 45 17.503 -17.116 -11.475 1.00 34.24 N ATOM 692 CA ARG A 45 17.463 -18.572 -11.547 1.00 3.21 C ATOM 693 C ARG A 45 16.206 -19.116 -10.874 1.00 44.23 C ATOM 694 O ARG A 45 15.815 -20.260 -11.100 1.00 54.15 O ATOM 695 CB ARG A 45 18.707 -19.170 -10.887 1.00 63.14 C ATOM 696 CG ARG A 45 18.923 -20.639 -11.213 1.00 54.03 C ATOM 697 CD ARG A 45 19.782 -20.814 -12.456 1.00 10.23 C ATOM 698 NE ARG A 45 19.032 -21.402 -13.562 1.00 54.30 N ATOM 699 CZ ARG A 45 19.498 -21.487 -14.803 1.00 32.10 C ATOM 700 NH1 ARG A 45 20.706 -21.025 -15.094 1.00 20.20 N ATOM 701 NH2 ARG A 45 18.755 -22.036 -15.756 1.00 0.12 N ATOM 0 H ARG A 45 17.525 -16.741 -10.527 1.00 34.24 H new ATOM 0 HA ARG A 45 17.444 -18.858 -12.599 1.00 3.21 H new ATOM 0 HB2 ARG A 45 19.583 -18.604 -11.203 1.00 63.14 H new ATOM 0 HB3 ARG A 45 18.626 -19.055 -9.806 1.00 63.14 H new ATOM 0 HG2 ARG A 45 19.400 -21.134 -10.367 1.00 54.03 H new ATOM 0 HG3 ARG A 45 17.959 -21.125 -11.364 1.00 54.03 H new ATOM 0 HD2 ARG A 45 20.179 -19.846 -12.761 1.00 10.23 H new ATOM 0 HD3 ARG A 45 20.636 -21.448 -12.220 1.00 10.23 H new ATOM 0 HE ARG A 45 18.099 -21.768 -13.371 1.00 54.30 H new ATOM 0 HH11 ARG A 45 21.280 -20.603 -14.364 1.00 20.20 H new ATOM 0 HH12 ARG A 45 21.061 -21.092 -16.048 1.00 20.20 H new ATOM 0 HH21 ARG A 45 17.825 -22.393 -15.536 1.00 0.12 H new ATOM 0 HH22 ARG A 45 19.114 -22.101 -16.709 1.00 0.12 H new ATOM 715 N GLY A 46 15.579 -18.287 -10.045 1.00 53.03 N ATOM 716 CA GLY A 46 14.374 -18.703 -9.352 1.00 54.11 C ATOM 717 C GLY A 46 14.670 -19.373 -8.025 1.00 60.44 C ATOM 718 O GLY A 46 13.774 -19.560 -7.202 1.00 75.25 O ATOM 0 H GLY A 46 15.884 -17.335 -9.841 1.00 53.03 H new ATOM 0 HA2 GLY A 46 13.738 -17.834 -9.183 1.00 54.11 H new ATOM 0 HA3 GLY A 46 13.813 -19.390 -9.985 1.00 54.11 H new ATOM 722 N ASP A 47 15.930 -19.738 -7.817 1.00 44.03 N ATOM 723 CA ASP A 47 16.343 -20.393 -6.581 1.00 52.41 C ATOM 724 C ASP A 47 17.647 -19.797 -6.060 1.00 12.14 C ATOM 725 O ASP A 47 18.681 -20.465 -6.035 1.00 20.43 O ATOM 726 CB ASP A 47 16.509 -21.896 -6.806 1.00 34.30 C ATOM 727 CG ASP A 47 15.180 -22.605 -6.987 1.00 44.53 C ATOM 728 OD1 ASP A 47 14.386 -22.164 -7.844 1.00 32.21 O ATOM 729 OD2 ASP A 47 14.935 -23.599 -6.272 1.00 1.42 O ATOM 0 H ASP A 47 16.684 -19.591 -8.489 1.00 44.03 H new ATOM 0 HA ASP A 47 15.566 -20.229 -5.835 1.00 52.41 H new ATOM 0 HB2 ASP A 47 17.129 -22.062 -7.687 1.00 34.30 H new ATOM 0 HB3 ASP A 47 17.037 -22.331 -5.958 1.00 34.30 H new ATOM 734 N LEU A 48 17.591 -18.536 -5.645 1.00 30.10 N ATOM 735 CA LEU A 48 18.768 -17.849 -5.125 1.00 0.03 C ATOM 736 C LEU A 48 18.725 -17.773 -3.602 1.00 4.11 C ATOM 737 O LEU A 48 19.725 -18.028 -2.929 1.00 11.44 O ATOM 738 CB LEU A 48 18.863 -16.441 -5.715 1.00 1.24 C ATOM 739 CG LEU A 48 19.055 -16.359 -7.229 1.00 63.34 C ATOM 740 CD1 LEU A 48 17.727 -16.543 -7.947 1.00 31.24 C ATOM 741 CD2 LEU A 48 19.693 -15.032 -7.615 1.00 73.54 C ATOM 0 H LEU A 48 16.743 -17.969 -5.659 1.00 30.10 H new ATOM 0 HA LEU A 48 19.650 -18.419 -5.417 1.00 0.03 H new ATOM 0 HB2 LEU A 48 17.955 -15.898 -5.454 1.00 1.24 H new ATOM 0 HB3 LEU A 48 19.693 -15.923 -5.235 1.00 1.24 H new ATOM 0 HG LEU A 48 19.724 -17.163 -7.535 1.00 63.34 H new ATOM 0 HD11 LEU A 48 17.884 -16.481 -9.024 1.00 31.24 H new ATOM 0 HD12 LEU A 48 17.310 -17.518 -7.696 1.00 31.24 H new ATOM 0 HD13 LEU A 48 17.034 -15.761 -7.636 1.00 31.24 H new ATOM 0 HD21 LEU A 48 19.822 -14.991 -8.697 1.00 73.54 H new ATOM 0 HD22 LEU A 48 19.050 -14.212 -7.295 1.00 73.54 H new ATOM 0 HD23 LEU A 48 20.665 -14.941 -7.130 1.00 73.54 H new ATOM 753 N LEU A 49 17.562 -17.423 -3.065 1.00 31.13 N ATOM 754 CA LEU A 49 17.388 -17.316 -1.620 1.00 54.33 C ATOM 755 C LEU A 49 15.949 -17.627 -1.221 1.00 12.12 C ATOM 756 O LEU A 49 15.103 -17.899 -2.073 1.00 5.52 O ATOM 757 CB LEU A 49 17.769 -15.913 -1.144 1.00 23.25 C ATOM 758 CG LEU A 49 19.216 -15.489 -1.398 1.00 1.45 C ATOM 759 CD1 LEU A 49 19.354 -14.863 -2.777 1.00 4.23 C ATOM 760 CD2 LEU A 49 19.685 -14.520 -0.321 1.00 75.31 C ATOM 0 H LEU A 49 16.725 -17.208 -3.608 1.00 31.13 H new ATOM 0 HA LEU A 49 18.044 -18.045 -1.144 1.00 54.33 H new ATOM 0 HB2 LEU A 49 17.110 -15.194 -1.631 1.00 23.25 H new ATOM 0 HB3 LEU A 49 17.575 -15.849 -0.073 1.00 23.25 H new ATOM 0 HG LEU A 49 19.847 -16.377 -1.359 1.00 1.45 H new ATOM 0 HD11 LEU A 49 20.390 -14.567 -2.940 1.00 4.23 H new ATOM 0 HD12 LEU A 49 19.059 -15.587 -3.536 1.00 4.23 H new ATOM 0 HD13 LEU A 49 18.711 -13.985 -2.844 1.00 4.23 H new ATOM 0 HD21 LEU A 49 20.717 -14.229 -0.518 1.00 75.31 H new ATOM 0 HD22 LEU A 49 19.050 -13.634 -0.328 1.00 75.31 H new ATOM 0 HD23 LEU A 49 19.624 -15.003 0.654 1.00 75.31 H new ATOM 772 N GLU A 50 15.678 -17.583 0.080 1.00 24.10 N ATOM 773 CA GLU A 50 14.341 -17.859 0.591 1.00 20.23 C ATOM 774 C GLU A 50 14.141 -17.223 1.964 1.00 41.33 C ATOM 775 O GLU A 50 15.090 -17.066 2.732 1.00 21.22 O ATOM 776 CB GLU A 50 14.105 -19.369 0.678 1.00 45.41 C ATOM 777 CG GLU A 50 13.299 -19.926 -0.483 1.00 23.40 C ATOM 778 CD GLU A 50 12.604 -21.229 -0.138 1.00 21.11 C ATOM 779 OE1 GLU A 50 13.247 -22.098 0.488 1.00 51.34 O ATOM 780 OE2 GLU A 50 11.416 -21.379 -0.494 1.00 23.24 O ATOM 0 H GLU A 50 16.366 -17.359 0.798 1.00 24.10 H new ATOM 0 HA GLU A 50 13.619 -17.425 -0.101 1.00 20.23 H new ATOM 0 HB2 GLU A 50 15.068 -19.877 0.718 1.00 45.41 H new ATOM 0 HB3 GLU A 50 13.587 -19.594 1.610 1.00 45.41 H new ATOM 0 HG2 GLU A 50 12.554 -19.191 -0.789 1.00 23.40 H new ATOM 0 HG3 GLU A 50 13.959 -20.085 -1.336 1.00 23.40 H new ATOM 787 N VAL A 51 12.899 -16.857 2.265 1.00 41.45 N ATOM 788 CA VAL A 51 12.573 -16.238 3.544 1.00 41.53 C ATOM 789 C VAL A 51 12.130 -17.282 4.563 1.00 42.45 C ATOM 790 O VAL A 51 11.428 -18.234 4.225 1.00 12.43 O ATOM 791 CB VAL A 51 11.461 -15.183 3.390 1.00 44.44 C ATOM 792 CG1 VAL A 51 10.259 -15.775 2.671 1.00 71.02 C ATOM 793 CG2 VAL A 51 11.061 -14.629 4.749 1.00 40.24 C ATOM 0 H VAL A 51 12.102 -16.979 1.640 1.00 41.45 H new ATOM 0 HA VAL A 51 13.480 -15.750 3.899 1.00 41.53 H new ATOM 0 HB VAL A 51 11.845 -14.360 2.787 1.00 44.44 H new ATOM 0 HG11 VAL A 51 9.484 -15.015 2.572 1.00 71.02 H new ATOM 0 HG12 VAL A 51 10.560 -16.118 1.681 1.00 71.02 H new ATOM 0 HG13 VAL A 51 9.870 -16.617 3.244 1.00 71.02 H new ATOM 0 HG21 VAL A 51 10.275 -13.885 4.622 1.00 40.24 H new ATOM 0 HG22 VAL A 51 10.695 -15.440 5.379 1.00 40.24 H new ATOM 0 HG23 VAL A 51 11.926 -14.165 5.222 1.00 40.24 H new ATOM 803 N ASN A 52 12.546 -17.095 5.811 1.00 33.52 N ATOM 804 CA ASN A 52 12.192 -18.022 6.881 1.00 54.34 C ATOM 805 C ASN A 52 11.035 -17.476 7.712 1.00 1.54 C ATOM 806 O ASN A 52 11.190 -16.497 8.444 1.00 10.21 O ATOM 807 CB ASN A 52 13.402 -18.283 7.779 1.00 1.32 C ATOM 808 CG ASN A 52 13.101 -19.284 8.878 1.00 45.12 C ATOM 809 OD1 ASN A 52 12.014 -19.858 8.929 1.00 15.22 O ATOM 810 ND2 ASN A 52 14.067 -19.498 9.764 1.00 44.23 N ATOM 0 H ASN A 52 13.128 -16.311 6.107 1.00 33.52 H new ATOM 0 HA ASN A 52 11.878 -18.961 6.426 1.00 54.34 H new ATOM 0 HB2 ASN A 52 14.229 -18.652 7.172 1.00 1.32 H new ATOM 0 HB3 ASN A 52 13.729 -17.344 8.226 1.00 1.32 H new ATOM 0 HD21 ASN A 52 13.923 -20.161 10.526 1.00 44.23 H new ATOM 0 HD22 ASN A 52 14.953 -18.999 9.683 1.00 44.23 H new ATOM 817 N LEU A 53 9.876 -18.115 7.596 1.00 44.42 N ATOM 818 CA LEU A 53 8.693 -17.694 8.337 1.00 34.15 C ATOM 819 C LEU A 53 8.927 -17.798 9.841 1.00 33.21 C ATOM 820 O LEU A 53 8.180 -17.228 10.635 1.00 12.45 O ATOM 821 CB LEU A 53 7.487 -18.546 7.937 1.00 14.23 C ATOM 822 CG LEU A 53 7.256 -18.720 6.436 1.00 45.03 C ATOM 823 CD1 LEU A 53 6.173 -19.755 6.178 1.00 33.34 C ATOM 824 CD2 LEU A 53 6.889 -17.390 5.795 1.00 52.33 C ATOM 0 H LEU A 53 9.731 -18.927 6.996 1.00 44.42 H new ATOM 0 HA LEU A 53 8.492 -16.651 8.090 1.00 34.15 H new ATOM 0 HB2 LEU A 53 7.601 -19.534 8.384 1.00 14.23 H new ATOM 0 HB3 LEU A 53 6.593 -18.101 8.373 1.00 14.23 H new ATOM 0 HG LEU A 53 8.183 -19.075 5.985 1.00 45.03 H new ATOM 0 HD11 LEU A 53 6.023 -19.865 5.104 1.00 33.34 H new ATOM 0 HD12 LEU A 53 6.476 -20.712 6.602 1.00 33.34 H new ATOM 0 HD13 LEU A 53 5.242 -19.431 6.643 1.00 33.34 H new ATOM 0 HD21 LEU A 53 6.728 -17.533 4.726 1.00 52.33 H new ATOM 0 HD22 LEU A 53 5.977 -17.006 6.251 1.00 52.33 H new ATOM 0 HD23 LEU A 53 7.699 -16.677 5.948 1.00 52.33 H new ATOM 836 N GLN A 54 9.969 -18.529 10.223 1.00 3.43 N ATOM 837 CA GLN A 54 10.302 -18.705 11.632 1.00 61.51 C ATOM 838 C GLN A 54 10.389 -17.360 12.344 1.00 53.40 C ATOM 839 O GLN A 54 9.707 -17.130 13.342 1.00 5.12 O ATOM 840 CB GLN A 54 11.627 -19.457 11.774 1.00 33.31 C ATOM 841 CG GLN A 54 11.922 -19.905 13.196 1.00 24.14 C ATOM 842 CD GLN A 54 12.654 -18.849 14.001 1.00 53.42 C ATOM 843 OE1 GLN A 54 13.614 -18.243 13.524 1.00 52.22 O ATOM 844 NE2 GLN A 54 12.203 -18.622 15.229 1.00 54.51 N ATOM 0 H GLN A 54 10.597 -19.009 9.578 1.00 3.43 H new ATOM 0 HA GLN A 54 9.508 -19.290 12.096 1.00 61.51 H new ATOM 0 HB2 GLN A 54 11.611 -20.331 11.122 1.00 33.31 H new ATOM 0 HB3 GLN A 54 12.438 -18.816 11.428 1.00 33.31 H new ATOM 0 HG2 GLN A 54 10.986 -20.153 13.696 1.00 24.14 H new ATOM 0 HG3 GLN A 54 12.521 -20.816 13.169 1.00 24.14 H new ATOM 0 HE21 GLN A 54 11.404 -19.147 15.584 1.00 54.51 H new ATOM 0 HE22 GLN A 54 12.655 -17.922 15.817 1.00 54.51 H new ATOM 853 N ASN A 55 11.232 -16.473 11.824 1.00 74.54 N ATOM 854 CA ASN A 55 11.408 -15.150 12.411 1.00 71.14 C ATOM 855 C ASN A 55 11.019 -14.059 11.418 1.00 3.41 C ATOM 856 O ASN A 55 10.567 -12.983 11.808 1.00 50.12 O ATOM 857 CB ASN A 55 12.859 -14.956 12.857 1.00 74.43 C ATOM 858 CG ASN A 55 12.977 -14.711 14.349 1.00 51.15 C ATOM 859 OD1 ASN A 55 13.643 -15.462 15.062 1.00 52.25 O ATOM 860 ND2 ASN A 55 12.329 -13.655 14.827 1.00 31.34 N ATOM 0 H ASN A 55 11.804 -16.647 10.997 1.00 74.54 H new ATOM 0 HA ASN A 55 10.755 -15.075 13.280 1.00 71.14 H new ATOM 0 HB2 ASN A 55 13.440 -15.839 12.589 1.00 74.43 H new ATOM 0 HB3 ASN A 55 13.293 -14.114 12.318 1.00 74.43 H new ATOM 0 HD21 ASN A 55 12.371 -13.439 15.823 1.00 31.34 H new ATOM 0 HD22 ASN A 55 11.789 -13.060 14.198 1.00 31.34 H new ATOM 867 N GLY A 56 11.199 -14.344 10.132 1.00 73.41 N ATOM 868 CA GLY A 56 10.862 -13.378 9.103 1.00 13.22 C ATOM 869 C GLY A 56 12.089 -12.748 8.475 1.00 61.11 C ATOM 870 O GLY A 56 12.068 -11.577 8.095 1.00 61.14 O ATOM 0 H GLY A 56 11.572 -15.227 9.784 1.00 73.41 H new ATOM 0 HA2 GLY A 56 10.272 -13.868 8.328 1.00 13.22 H new ATOM 0 HA3 GLY A 56 10.236 -12.596 9.534 1.00 13.22 H new ATOM 874 N ILE A 57 13.161 -13.525 8.367 1.00 23.31 N ATOM 875 CA ILE A 57 14.403 -13.036 7.781 1.00 1.12 C ATOM 876 C ILE A 57 14.772 -13.830 6.533 1.00 42.13 C ATOM 877 O ILE A 57 14.355 -14.977 6.367 1.00 23.12 O ATOM 878 CB ILE A 57 15.568 -13.111 8.786 1.00 14.44 C ATOM 879 CG1 ILE A 57 16.679 -12.138 8.386 1.00 60.44 C ATOM 880 CG2 ILE A 57 16.104 -14.532 8.871 1.00 43.35 C ATOM 881 CD1 ILE A 57 16.250 -10.688 8.408 1.00 4.14 C ATOM 0 H ILE A 57 13.195 -14.496 8.678 1.00 23.31 H new ATOM 0 HA ILE A 57 14.234 -11.994 7.509 1.00 1.12 H new ATOM 0 HB ILE A 57 15.198 -12.825 9.771 1.00 14.44 H new ATOM 0 HG12 ILE A 57 17.525 -12.268 9.061 1.00 60.44 H new ATOM 0 HG13 ILE A 57 17.028 -12.390 7.385 1.00 60.44 H new ATOM 0 HG21 ILE A 57 16.927 -14.568 9.585 1.00 43.35 H new ATOM 0 HG22 ILE A 57 15.309 -15.202 9.199 1.00 43.35 H new ATOM 0 HG23 ILE A 57 16.461 -14.845 7.890 1.00 43.35 H new ATOM 0 HD11 ILE A 57 17.088 -10.056 8.114 1.00 4.14 H new ATOM 0 HD12 ILE A 57 15.424 -10.542 7.712 1.00 4.14 H new ATOM 0 HD13 ILE A 57 15.929 -10.419 9.414 1.00 4.14 H new ATOM 893 N LEU A 58 15.558 -13.213 5.657 1.00 20.11 N ATOM 894 CA LEU A 58 15.986 -13.863 4.423 1.00 1.40 C ATOM 895 C LEU A 58 17.327 -14.563 4.614 1.00 65.45 C ATOM 896 O LEU A 58 18.282 -13.973 5.119 1.00 43.44 O ATOM 897 CB LEU A 58 16.090 -12.837 3.293 1.00 53.20 C ATOM 898 CG LEU A 58 14.875 -12.731 2.370 1.00 45.53 C ATOM 899 CD1 LEU A 58 14.768 -13.963 1.485 1.00 31.02 C ATOM 900 CD2 LEU A 58 13.603 -12.542 3.182 1.00 14.00 C ATOM 0 H LEU A 58 15.912 -12.264 5.778 1.00 20.11 H new ATOM 0 HA LEU A 58 15.240 -14.612 4.158 1.00 1.40 H new ATOM 0 HB2 LEU A 58 16.273 -11.857 3.734 1.00 53.20 H new ATOM 0 HB3 LEU A 58 16.962 -13.081 2.686 1.00 53.20 H new ATOM 0 HG LEU A 58 15.005 -11.859 1.729 1.00 45.53 H new ATOM 0 HD11 LEU A 58 13.898 -13.870 0.835 1.00 31.02 H new ATOM 0 HD12 LEU A 58 15.668 -14.053 0.876 1.00 31.02 H new ATOM 0 HD13 LEU A 58 14.662 -14.851 2.108 1.00 31.02 H new ATOM 0 HD21 LEU A 58 12.749 -12.469 2.509 1.00 14.00 H new ATOM 0 HD22 LEU A 58 13.467 -13.393 3.849 1.00 14.00 H new ATOM 0 HD23 LEU A 58 13.680 -11.628 3.771 1.00 14.00 H new ATOM 912 N PHE A 59 17.393 -15.826 4.204 1.00 50.01 N ATOM 913 CA PHE A 59 18.618 -16.607 4.328 1.00 31.42 C ATOM 914 C PHE A 59 19.129 -17.038 2.957 1.00 65.52 C ATOM 915 O PHE A 59 18.348 -17.260 2.032 1.00 61.23 O ATOM 916 CB PHE A 59 18.376 -17.838 5.205 1.00 62.02 C ATOM 917 CG PHE A 59 17.234 -18.693 4.736 1.00 71.13 C ATOM 918 CD1 PHE A 59 15.939 -18.434 5.157 1.00 63.44 C ATOM 919 CD2 PHE A 59 17.454 -19.755 3.874 1.00 65.13 C ATOM 920 CE1 PHE A 59 14.887 -19.220 4.727 1.00 34.20 C ATOM 921 CE2 PHE A 59 16.406 -20.544 3.440 1.00 34.24 C ATOM 922 CZ PHE A 59 15.120 -20.276 3.867 1.00 52.40 C ATOM 0 H PHE A 59 16.612 -16.330 3.783 1.00 50.01 H new ATOM 0 HA PHE A 59 19.375 -15.978 4.797 1.00 31.42 H new ATOM 0 HB2 PHE A 59 19.284 -18.440 5.230 1.00 62.02 H new ATOM 0 HB3 PHE A 59 18.181 -17.513 6.227 1.00 62.02 H new ATOM 0 HD1 PHE A 59 15.750 -17.609 5.828 1.00 63.44 H new ATOM 0 HD2 PHE A 59 18.457 -19.969 3.537 1.00 65.13 H new ATOM 0 HE1 PHE A 59 13.883 -19.009 5.063 1.00 34.20 H new ATOM 0 HE2 PHE A 59 16.592 -21.369 2.768 1.00 34.24 H new ATOM 0 HZ PHE A 59 14.299 -20.890 3.529 1.00 52.40 H new ATOM 932 N VAL A 60 20.448 -17.155 2.833 1.00 11.43 N ATOM 933 CA VAL A 60 21.065 -17.559 1.576 1.00 23.40 C ATOM 934 C VAL A 60 20.638 -18.969 1.183 1.00 24.20 C ATOM 935 O VAL A 60 20.522 -19.852 2.031 1.00 32.44 O ATOM 936 CB VAL A 60 22.602 -17.506 1.663 1.00 42.45 C ATOM 937 CG1 VAL A 60 23.228 -18.060 0.392 1.00 24.21 C ATOM 938 CG2 VAL A 60 23.071 -16.082 1.920 1.00 4.34 C ATOM 0 H VAL A 60 21.109 -16.975 3.589 1.00 11.43 H new ATOM 0 HA VAL A 60 20.727 -16.854 0.816 1.00 23.40 H new ATOM 0 HB VAL A 60 22.923 -18.127 2.499 1.00 42.45 H new ATOM 0 HG11 VAL A 60 24.314 -18.015 0.472 1.00 24.21 H new ATOM 0 HG12 VAL A 60 22.917 -19.096 0.255 1.00 24.21 H new ATOM 0 HG13 VAL A 60 22.902 -17.467 -0.463 1.00 24.21 H new ATOM 0 HG21 VAL A 60 24.159 -16.062 1.979 1.00 4.34 H new ATOM 0 HG22 VAL A 60 22.740 -15.437 1.106 1.00 4.34 H new ATOM 0 HG23 VAL A 60 22.650 -15.724 2.860 1.00 4.34 H new ATOM 948 N ASN A 61 20.407 -19.173 -0.110 1.00 10.41 N ATOM 949 CA ASN A 61 19.993 -20.476 -0.616 1.00 73.13 C ATOM 950 C ASN A 61 20.590 -20.739 -1.995 1.00 42.23 C ATOM 951 O ASN A 61 19.965 -21.376 -2.843 1.00 11.21 O ATOM 952 CB ASN A 61 18.466 -20.558 -0.685 1.00 65.03 C ATOM 953 CG ASN A 61 17.952 -21.965 -0.451 1.00 71.22 C ATOM 954 OD1 ASN A 61 18.560 -22.747 0.280 1.00 11.33 O ATOM 955 ND2 ASN A 61 16.826 -22.294 -1.074 1.00 31.35 N ATOM 0 H ASN A 61 20.500 -18.452 -0.826 1.00 10.41 H new ATOM 0 HA ASN A 61 20.361 -21.238 0.071 1.00 73.13 H new ATOM 0 HB2 ASN A 61 18.035 -19.888 0.059 1.00 65.03 H new ATOM 0 HB3 ASN A 61 18.130 -20.209 -1.661 1.00 65.03 H new ATOM 0 HD21 ASN A 61 16.432 -23.227 -0.956 1.00 31.35 H new ATOM 0 HD22 ASN A 61 16.356 -21.613 -1.671 1.00 31.35 H new ATOM 962 N SER A 62 21.805 -20.244 -2.212 1.00 53.01 N ATOM 963 CA SER A 62 22.486 -20.422 -3.489 1.00 71.20 C ATOM 964 C SER A 62 23.936 -19.955 -3.401 1.00 54.11 C ATOM 965 O SER A 62 24.448 -19.685 -2.314 1.00 75.35 O ATOM 966 CB SER A 62 21.756 -19.653 -4.592 1.00 63.21 C ATOM 967 OG SER A 62 22.195 -20.064 -5.876 1.00 11.44 O ATOM 0 H SER A 62 22.337 -19.717 -1.520 1.00 53.01 H new ATOM 0 HA SER A 62 22.479 -21.485 -3.732 1.00 71.20 H new ATOM 0 HB2 SER A 62 20.682 -19.814 -4.502 1.00 63.21 H new ATOM 0 HB3 SER A 62 21.929 -18.584 -4.470 1.00 63.21 H new ATOM 0 HG SER A 62 22.504 -20.993 -5.834 1.00 11.44 H new ATOM 973 N ARG A 63 24.591 -19.862 -4.553 1.00 45.23 N ATOM 974 CA ARG A 63 25.982 -19.429 -4.608 1.00 5.53 C ATOM 975 C ARG A 63 26.087 -17.915 -4.449 1.00 10.50 C ATOM 976 O ARG A 63 25.527 -17.157 -5.243 1.00 24.43 O ATOM 977 CB ARG A 63 26.622 -19.859 -5.929 1.00 54.23 C ATOM 978 CG ARG A 63 25.928 -19.289 -7.155 1.00 54.35 C ATOM 979 CD ARG A 63 25.664 -20.365 -8.197 1.00 52.21 C ATOM 980 NE ARG A 63 24.278 -20.824 -8.171 1.00 13.02 N ATOM 981 CZ ARG A 63 23.807 -21.787 -8.956 1.00 5.12 C ATOM 982 NH1 ARG A 63 24.608 -22.389 -9.824 1.00 23.52 N ATOM 983 NH2 ARG A 63 22.534 -22.149 -8.873 1.00 73.30 N ATOM 0 H ARG A 63 24.181 -20.081 -5.461 1.00 45.23 H new ATOM 0 HA ARG A 63 26.515 -19.902 -3.783 1.00 5.53 H new ATOM 0 HB2 ARG A 63 27.667 -19.548 -5.935 1.00 54.23 H new ATOM 0 HB3 ARG A 63 26.613 -20.947 -5.990 1.00 54.23 H new ATOM 0 HG2 ARG A 63 24.985 -18.828 -6.859 1.00 54.35 H new ATOM 0 HG3 ARG A 63 26.544 -18.503 -7.591 1.00 54.35 H new ATOM 0 HD2 ARG A 63 25.898 -19.975 -9.188 1.00 52.21 H new ATOM 0 HD3 ARG A 63 26.329 -21.210 -8.022 1.00 52.21 H new ATOM 0 HE ARG A 63 23.636 -20.381 -7.514 1.00 13.02 H new ATOM 0 HH11 ARG A 63 25.588 -22.113 -9.890 1.00 23.52 H new ATOM 0 HH12 ARG A 63 24.245 -23.128 -10.426 1.00 23.52 H new ATOM 0 HH21 ARG A 63 21.915 -21.688 -8.206 1.00 73.30 H new ATOM 0 HH22 ARG A 63 22.174 -22.888 -9.476 1.00 73.30 H new ATOM 997 N ILE A 64 26.806 -17.481 -3.419 1.00 60.11 N ATOM 998 CA ILE A 64 26.984 -16.058 -3.157 1.00 70.33 C ATOM 999 C ILE A 64 28.411 -15.617 -3.463 1.00 62.24 C ATOM 1000 O ILE A 64 28.686 -14.426 -3.609 1.00 1.03 O ATOM 1001 CB ILE A 64 26.654 -15.710 -1.694 1.00 14.50 C ATOM 1002 CG1 ILE A 64 25.317 -16.333 -1.288 1.00 14.23 C ATOM 1003 CG2 ILE A 64 26.620 -14.200 -1.504 1.00 23.43 C ATOM 1004 CD1 ILE A 64 24.139 -15.807 -2.079 1.00 4.33 C ATOM 0 H ILE A 64 27.275 -18.094 -2.752 1.00 60.11 H new ATOM 0 HA ILE A 64 26.294 -15.527 -3.813 1.00 70.33 H new ATOM 0 HB ILE A 64 27.434 -16.120 -1.053 1.00 14.50 H new ATOM 0 HG12 ILE A 64 25.376 -17.414 -1.415 1.00 14.23 H new ATOM 0 HG13 ILE A 64 25.145 -16.146 -0.228 1.00 14.23 H new ATOM 0 HG21 ILE A 64 26.385 -13.969 -0.465 1.00 23.43 H new ATOM 0 HG22 ILE A 64 27.593 -13.779 -1.759 1.00 23.43 H new ATOM 0 HG23 ILE A 64 25.857 -13.769 -2.152 1.00 23.43 H new ATOM 0 HD11 ILE A 64 23.225 -16.293 -1.737 1.00 4.33 H new ATOM 0 HD12 ILE A 64 24.054 -14.730 -1.932 1.00 4.33 H new ATOM 0 HD13 ILE A 64 24.288 -16.018 -3.138 1.00 4.33 H new ATOM 1016 N ASP A 65 29.315 -16.585 -3.562 1.00 24.52 N ATOM 1017 CA ASP A 65 30.715 -16.298 -3.854 1.00 52.11 C ATOM 1018 C ASP A 65 30.836 -15.225 -4.932 1.00 35.11 C ATOM 1019 O ASP A 65 29.986 -15.122 -5.817 1.00 61.21 O ATOM 1020 CB ASP A 65 31.437 -17.570 -4.301 1.00 34.35 C ATOM 1021 CG ASP A 65 32.421 -18.072 -3.262 1.00 74.41 C ATOM 1022 OD1 ASP A 65 32.123 -17.953 -2.055 1.00 54.41 O ATOM 1023 OD2 ASP A 65 33.488 -18.586 -3.656 1.00 42.15 O ATOM 0 H ASP A 65 29.104 -17.576 -3.444 1.00 24.52 H new ATOM 0 HA ASP A 65 31.182 -15.926 -2.942 1.00 52.11 H new ATOM 0 HB2 ASP A 65 30.702 -18.348 -4.507 1.00 34.35 H new ATOM 0 HB3 ASP A 65 31.966 -17.376 -5.234 1.00 34.35 H new ATOM 1028 N ARG A 66 31.896 -14.428 -4.850 1.00 14.31 N ATOM 1029 CA ARG A 66 32.126 -13.361 -5.817 1.00 21.22 C ATOM 1030 C ARG A 66 32.419 -13.935 -7.200 1.00 23.22 C ATOM 1031 O ARG A 66 32.057 -13.345 -8.217 1.00 12.55 O ATOM 1032 CB ARG A 66 33.288 -12.475 -5.364 1.00 20.34 C ATOM 1033 CG ARG A 66 34.649 -13.137 -5.503 1.00 61.42 C ATOM 1034 CD ARG A 66 35.775 -12.176 -5.153 1.00 75.53 C ATOM 1035 NE ARG A 66 36.531 -11.767 -6.333 1.00 41.43 N ATOM 1036 CZ ARG A 66 37.309 -12.588 -7.029 1.00 62.13 C ATOM 1037 NH1 ARG A 66 37.432 -13.857 -6.666 1.00 21.14 N ATOM 1038 NH2 ARG A 66 37.966 -12.141 -8.092 1.00 11.41 N ATOM 0 H ARG A 66 32.609 -14.501 -4.124 1.00 14.31 H new ATOM 0 HA ARG A 66 31.220 -12.758 -5.877 1.00 21.22 H new ATOM 0 HB2 ARG A 66 33.280 -11.554 -5.947 1.00 20.34 H new ATOM 0 HB3 ARG A 66 33.135 -12.194 -4.322 1.00 20.34 H new ATOM 0 HG2 ARG A 66 34.698 -14.010 -4.852 1.00 61.42 H new ATOM 0 HG3 ARG A 66 34.778 -13.494 -6.525 1.00 61.42 H new ATOM 0 HD2 ARG A 66 35.360 -11.294 -4.664 1.00 75.53 H new ATOM 0 HD3 ARG A 66 36.447 -12.650 -4.438 1.00 75.53 H new ATOM 0 HE ARG A 66 36.458 -10.797 -6.640 1.00 41.43 H new ATOM 0 HH11 ARG A 66 36.928 -14.205 -5.850 1.00 21.14 H new ATOM 0 HH12 ARG A 66 38.030 -14.485 -7.203 1.00 21.14 H new ATOM 0 HH21 ARG A 66 37.874 -11.166 -8.376 1.00 11.41 H new ATOM 0 HH22 ARG A 66 38.563 -12.773 -8.625 1.00 11.41 H new ATOM 1052 N GLU A 67 33.078 -15.089 -7.228 1.00 62.54 N ATOM 1053 CA GLU A 67 33.421 -15.742 -8.487 1.00 0.33 C ATOM 1054 C GLU A 67 32.264 -16.602 -8.986 1.00 60.14 C ATOM 1055 O GLU A 67 32.134 -16.849 -10.185 1.00 31.02 O ATOM 1056 CB GLU A 67 34.674 -16.602 -8.316 1.00 24.52 C ATOM 1057 CG GLU A 67 34.492 -17.757 -7.345 1.00 70.33 C ATOM 1058 CD GLU A 67 35.804 -18.419 -6.972 1.00 45.23 C ATOM 1059 OE1 GLU A 67 36.710 -17.709 -6.488 1.00 25.23 O ATOM 1060 OE2 GLU A 67 35.925 -19.647 -7.165 1.00 50.10 O ATOM 0 H GLU A 67 33.385 -15.591 -6.395 1.00 62.54 H new ATOM 0 HA GLU A 67 33.620 -14.967 -9.227 1.00 0.33 H new ATOM 0 HB2 GLU A 67 34.968 -16.998 -9.288 1.00 24.52 H new ATOM 0 HB3 GLU A 67 35.492 -15.972 -7.968 1.00 24.52 H new ATOM 0 HG2 GLU A 67 34.003 -17.393 -6.441 1.00 70.33 H new ATOM 0 HG3 GLU A 67 33.829 -18.499 -7.789 1.00 70.33 H new ATOM 1067 N GLU A 68 31.427 -17.056 -8.058 1.00 44.51 N ATOM 1068 CA GLU A 68 30.283 -17.890 -8.404 1.00 55.43 C ATOM 1069 C GLU A 68 29.108 -17.035 -8.872 1.00 1.44 C ATOM 1070 O GLU A 68 28.554 -17.256 -9.949 1.00 33.30 O ATOM 1071 CB GLU A 68 29.862 -18.741 -7.204 1.00 62.05 C ATOM 1072 CG GLU A 68 29.554 -20.185 -7.561 1.00 74.34 C ATOM 1073 CD GLU A 68 29.671 -21.118 -6.372 1.00 21.23 C ATOM 1074 OE1 GLU A 68 30.373 -20.758 -5.403 1.00 54.12 O ATOM 1075 OE2 GLU A 68 29.062 -22.208 -6.409 1.00 4.31 O ATOM 0 H GLU A 68 31.520 -16.860 -7.061 1.00 44.51 H new ATOM 0 HA GLU A 68 30.580 -18.548 -9.221 1.00 55.43 H new ATOM 0 HB2 GLU A 68 30.657 -18.721 -6.458 1.00 62.05 H new ATOM 0 HB3 GLU A 68 28.981 -18.294 -6.743 1.00 62.05 H new ATOM 0 HG2 GLU A 68 28.545 -20.247 -7.969 1.00 74.34 H new ATOM 0 HG3 GLU A 68 30.236 -20.515 -8.345 1.00 74.34 H new ATOM 1082 N LEU A 69 28.733 -16.057 -8.054 1.00 24.24 N ATOM 1083 CA LEU A 69 27.624 -15.168 -8.382 1.00 22.15 C ATOM 1084 C LEU A 69 27.747 -14.649 -9.810 1.00 52.25 C ATOM 1085 O LEU A 69 26.936 -14.982 -10.675 1.00 54.42 O ATOM 1086 CB LEU A 69 27.579 -13.994 -7.402 1.00 43.12 C ATOM 1087 CG LEU A 69 26.203 -13.372 -7.163 1.00 2.31 C ATOM 1088 CD1 LEU A 69 25.623 -12.843 -8.465 1.00 74.34 C ATOM 1089 CD2 LEU A 69 25.262 -14.386 -6.530 1.00 71.10 C ATOM 0 H LEU A 69 29.181 -15.860 -7.159 1.00 24.24 H new ATOM 0 HA LEU A 69 26.698 -15.737 -8.301 1.00 22.15 H new ATOM 0 HB2 LEU A 69 27.975 -14.331 -6.444 1.00 43.12 H new ATOM 0 HB3 LEU A 69 28.249 -13.216 -7.767 1.00 43.12 H new ATOM 0 HG LEU A 69 26.318 -12.535 -6.475 1.00 2.31 H new ATOM 0 HD11 LEU A 69 24.644 -12.404 -8.275 1.00 74.34 H new ATOM 0 HD12 LEU A 69 26.287 -12.084 -8.877 1.00 74.34 H new ATOM 0 HD13 LEU A 69 25.522 -13.662 -9.177 1.00 74.34 H new ATOM 0 HD21 LEU A 69 24.287 -13.926 -6.367 1.00 71.10 H new ATOM 0 HD22 LEU A 69 25.152 -15.244 -7.193 1.00 71.10 H new ATOM 0 HD23 LEU A 69 25.672 -14.716 -5.575 1.00 71.10 H new ATOM 1101 N CYS A 70 28.767 -13.833 -10.053 1.00 2.15 N ATOM 1102 CA CYS A 70 28.998 -13.268 -11.377 1.00 22.44 C ATOM 1103 C CYS A 70 30.491 -13.097 -11.642 1.00 2.42 C ATOM 1104 O CYS A 70 30.994 -13.486 -12.695 1.00 2.31 O ATOM 1105 CB CYS A 70 28.287 -11.921 -11.511 1.00 11.54 C ATOM 1106 SG CYS A 70 28.403 -10.868 -10.028 1.00 74.21 S ATOM 0 H CYS A 70 29.448 -13.548 -9.349 1.00 2.15 H new ATOM 0 HA CYS A 70 28.593 -13.959 -12.116 1.00 22.44 H new ATOM 0 HB2 CYS A 70 28.709 -11.383 -12.360 1.00 11.54 H new ATOM 0 HB3 CYS A 70 27.235 -12.098 -11.736 1.00 11.54 H new ATOM 1111 N GLY A 71 31.194 -12.511 -10.677 1.00 45.44 N ATOM 1112 CA GLY A 71 32.622 -12.298 -10.825 1.00 43.44 C ATOM 1113 C GLY A 71 32.951 -11.332 -11.947 1.00 23.22 C ATOM 1114 O GLY A 71 34.102 -11.234 -12.372 1.00 43.15 O ATOM 0 H GLY A 71 30.800 -12.180 -9.796 1.00 45.44 H new ATOM 0 HA2 GLY A 71 33.028 -11.915 -9.889 1.00 43.44 H new ATOM 0 HA3 GLY A 71 33.111 -13.253 -11.017 1.00 43.44 H new ATOM 1118 N ARG A 72 31.938 -10.619 -12.428 1.00 3.03 N ATOM 1119 CA ARG A 72 32.125 -9.659 -13.509 1.00 3.22 C ATOM 1120 C ARG A 72 32.706 -8.351 -12.980 1.00 15.54 C ATOM 1121 O ARG A 72 33.837 -7.988 -13.299 1.00 45.33 O ATOM 1122 CB ARG A 72 30.796 -9.390 -14.217 1.00 31.25 C ATOM 1123 CG ARG A 72 30.488 -10.379 -15.329 1.00 15.01 C ATOM 1124 CD ARG A 72 29.376 -11.337 -14.930 1.00 64.51 C ATOM 1125 NE ARG A 72 29.030 -12.254 -16.013 1.00 34.43 N ATOM 1126 CZ ARG A 72 28.004 -13.097 -15.962 1.00 22.22 C ATOM 1127 NH1 ARG A 72 27.229 -13.139 -14.887 1.00 54.33 N ATOM 1128 NH2 ARG A 72 27.753 -13.900 -16.988 1.00 35.55 N ATOM 0 H ARG A 72 30.979 -10.688 -12.086 1.00 3.03 H new ATOM 0 HA ARG A 72 32.829 -10.087 -14.223 1.00 3.22 H new ATOM 0 HB2 ARG A 72 29.991 -9.419 -13.483 1.00 31.25 H new ATOM 0 HB3 ARG A 72 30.813 -8.382 -14.633 1.00 31.25 H new ATOM 0 HG2 ARG A 72 30.198 -9.837 -16.229 1.00 15.01 H new ATOM 0 HG3 ARG A 72 31.387 -10.945 -15.574 1.00 15.01 H new ATOM 0 HD2 ARG A 72 29.686 -11.909 -14.056 1.00 64.51 H new ATOM 0 HD3 ARG A 72 28.493 -10.767 -14.641 1.00 64.51 H new ATOM 0 HE ARG A 72 29.607 -12.247 -16.854 1.00 34.43 H new ATOM 0 HH11 ARG A 72 27.420 -12.523 -14.096 1.00 54.33 H new ATOM 0 HH12 ARG A 72 26.442 -13.787 -14.851 1.00 54.33 H new ATOM 0 HH21 ARG A 72 28.348 -13.870 -17.816 1.00 35.55 H new ATOM 0 HH22 ARG A 72 26.965 -14.547 -16.949 1.00 35.55 H new ATOM 1142 N SER A 73 31.922 -7.646 -12.169 1.00 72.51 N ATOM 1143 CA SER A 73 32.356 -6.376 -11.599 1.00 72.41 C ATOM 1144 C SER A 73 32.411 -6.455 -10.076 1.00 53.14 C ATOM 1145 O SER A 73 31.867 -7.378 -9.472 1.00 20.54 O ATOM 1146 CB SER A 73 31.413 -5.251 -12.029 1.00 73.34 C ATOM 1147 OG SER A 73 32.091 -4.008 -12.080 1.00 23.25 O ATOM 0 H SER A 73 30.983 -7.933 -11.892 1.00 72.51 H new ATOM 0 HA SER A 73 33.358 -6.162 -11.971 1.00 72.41 H new ATOM 0 HB2 SER A 73 30.992 -5.480 -13.008 1.00 73.34 H new ATOM 0 HB3 SER A 73 30.579 -5.185 -11.331 1.00 73.34 H new ATOM 0 HG SER A 73 31.467 -3.306 -12.359 1.00 23.25 H new ATOM 1153 N ALA A 74 33.072 -5.478 -9.463 1.00 73.54 N ATOM 1154 CA ALA A 74 33.197 -5.435 -8.012 1.00 14.32 C ATOM 1155 C ALA A 74 31.835 -5.570 -7.339 1.00 72.42 C ATOM 1156 O ALA A 74 31.729 -6.098 -6.233 1.00 4.14 O ATOM 1157 CB ALA A 74 33.875 -4.143 -7.579 1.00 72.21 C ATOM 0 H ALA A 74 33.529 -4.706 -9.949 1.00 73.54 H new ATOM 0 HA ALA A 74 33.813 -6.279 -7.700 1.00 14.32 H new ATOM 0 HB1 ALA A 74 33.962 -4.124 -6.493 1.00 72.21 H new ATOM 0 HB2 ALA A 74 34.869 -4.087 -8.024 1.00 72.21 H new ATOM 0 HB3 ALA A 74 33.281 -3.291 -7.910 1.00 72.21 H new ATOM 1163 N GLU A 75 30.796 -5.090 -8.015 1.00 74.31 N ATOM 1164 CA GLU A 75 29.441 -5.157 -7.480 1.00 74.45 C ATOM 1165 C GLU A 75 28.539 -5.992 -8.385 1.00 64.45 C ATOM 1166 O GLU A 75 28.909 -6.327 -9.511 1.00 64.13 O ATOM 1167 CB GLU A 75 28.860 -3.750 -7.323 1.00 25.32 C ATOM 1168 CG GLU A 75 29.306 -3.047 -6.052 1.00 24.02 C ATOM 1169 CD GLU A 75 28.889 -1.590 -6.015 1.00 4.45 C ATOM 1170 OE1 GLU A 75 29.589 -0.757 -6.629 1.00 21.14 O ATOM 1171 OE2 GLU A 75 27.864 -1.281 -5.372 1.00 23.54 O ATOM 0 H GLU A 75 30.866 -4.651 -8.933 1.00 74.31 H new ATOM 0 HA GLU A 75 29.488 -5.635 -6.501 1.00 74.45 H new ATOM 0 HB2 GLU A 75 29.152 -3.147 -8.183 1.00 25.32 H new ATOM 0 HB3 GLU A 75 27.772 -3.812 -7.331 1.00 25.32 H new ATOM 0 HG2 GLU A 75 28.886 -3.563 -5.189 1.00 24.02 H new ATOM 0 HG3 GLU A 75 30.391 -3.113 -5.966 1.00 24.02 H new ATOM 1178 N CYS A 76 27.354 -6.326 -7.885 1.00 65.31 N ATOM 1179 CA CYS A 76 26.400 -7.123 -8.646 1.00 15.11 C ATOM 1180 C CYS A 76 24.986 -6.946 -8.099 1.00 31.11 C ATOM 1181 O CYS A 76 24.747 -7.110 -6.903 1.00 1.15 O ATOM 1182 CB CYS A 76 26.792 -8.601 -8.608 1.00 32.23 C ATOM 1183 SG CYS A 76 27.156 -9.316 -10.243 1.00 61.31 S ATOM 0 H CYS A 76 27.032 -6.057 -6.956 1.00 65.31 H new ATOM 0 HA CYS A 76 26.418 -6.777 -9.679 1.00 15.11 H new ATOM 0 HB2 CYS A 76 27.668 -8.717 -7.969 1.00 32.23 H new ATOM 0 HB3 CYS A 76 25.984 -9.169 -8.147 1.00 32.23 H new ATOM 1188 N SER A 77 24.053 -6.611 -8.984 1.00 35.10 N ATOM 1189 CA SER A 77 22.663 -6.408 -8.590 1.00 62.50 C ATOM 1190 C SER A 77 21.817 -7.630 -8.935 1.00 21.32 C ATOM 1191 O SER A 77 21.991 -8.241 -9.990 1.00 33.22 O ATOM 1192 CB SER A 77 22.092 -5.167 -9.278 1.00 74.53 C ATOM 1193 OG SER A 77 22.695 -4.963 -10.544 1.00 50.11 O ATOM 0 H SER A 77 24.234 -6.474 -9.979 1.00 35.10 H new ATOM 0 HA SER A 77 22.635 -6.261 -7.510 1.00 62.50 H new ATOM 0 HB2 SER A 77 21.014 -5.278 -9.399 1.00 74.53 H new ATOM 0 HB3 SER A 77 22.254 -4.292 -8.649 1.00 74.53 H new ATOM 0 HG SER A 77 22.312 -4.165 -10.964 1.00 50.11 H new ATOM 1199 N ILE A 78 20.902 -7.980 -8.038 1.00 33.43 N ATOM 1200 CA ILE A 78 20.028 -9.128 -8.247 1.00 13.04 C ATOM 1201 C ILE A 78 18.562 -8.738 -8.091 1.00 33.11 C ATOM 1202 O ILE A 78 18.203 -7.973 -7.195 1.00 22.33 O ATOM 1203 CB ILE A 78 20.351 -10.268 -7.263 1.00 62.44 C ATOM 1204 CG1 ILE A 78 21.815 -10.691 -7.402 1.00 61.04 C ATOM 1205 CG2 ILE A 78 19.427 -11.453 -7.504 1.00 1.14 C ATOM 1206 CD1 ILE A 78 22.702 -10.170 -6.293 1.00 63.43 C ATOM 0 H ILE A 78 20.746 -7.485 -7.160 1.00 33.43 H new ATOM 0 HA ILE A 78 20.203 -9.477 -9.265 1.00 13.04 H new ATOM 0 HB ILE A 78 20.191 -9.908 -6.247 1.00 62.44 H new ATOM 0 HG12 ILE A 78 21.870 -11.779 -7.419 1.00 61.04 H new ATOM 0 HG13 ILE A 78 22.198 -10.337 -8.359 1.00 61.04 H new ATOM 0 HG21 ILE A 78 19.667 -12.251 -6.801 1.00 1.14 H new ATOM 0 HG22 ILE A 78 18.392 -11.142 -7.360 1.00 1.14 H new ATOM 0 HG23 ILE A 78 19.559 -11.816 -8.523 1.00 1.14 H new ATOM 0 HD11 ILE A 78 23.725 -10.509 -6.456 1.00 63.43 H new ATOM 0 HD12 ILE A 78 22.677 -9.080 -6.288 1.00 63.43 H new ATOM 0 HD13 ILE A 78 22.344 -10.545 -5.334 1.00 63.43 H new ATOM 1218 N HIS A 79 17.717 -9.270 -8.968 1.00 70.44 N ATOM 1219 CA HIS A 79 16.288 -8.980 -8.927 1.00 61.02 C ATOM 1220 C HIS A 79 15.488 -10.235 -8.593 1.00 21.34 C ATOM 1221 O HIS A 79 15.811 -11.331 -9.053 1.00 22.23 O ATOM 1222 CB HIS A 79 15.824 -8.407 -10.267 1.00 31.23 C ATOM 1223 CG HIS A 79 16.723 -7.336 -10.804 1.00 35.21 C ATOM 1224 ND1 HIS A 79 17.889 -7.606 -11.487 1.00 44.23 N ATOM 1225 CD2 HIS A 79 16.619 -5.987 -10.757 1.00 31.54 C ATOM 1226 CE1 HIS A 79 18.466 -6.469 -11.836 1.00 34.14 C ATOM 1227 NE2 HIS A 79 17.714 -5.472 -11.404 1.00 44.14 N ATOM 0 H HIS A 79 17.997 -9.904 -9.716 1.00 70.44 H new ATOM 0 HA HIS A 79 16.115 -8.241 -8.144 1.00 61.02 H new ATOM 0 HB2 HIS A 79 15.760 -9.215 -10.996 1.00 31.23 H new ATOM 0 HB3 HIS A 79 14.819 -8.002 -10.151 1.00 31.23 H new ATOM 0 HD2 HIS A 79 15.823 -5.422 -10.296 1.00 31.54 H new ATOM 0 HE1 HIS A 79 19.393 -6.372 -12.381 1.00 34.14 H new ATOM 0 HE2 HIS A 79 17.915 -4.480 -11.531 1.00 44.14 H new ATOM 1235 N LEU A 80 14.444 -10.068 -7.789 1.00 33.43 N ATOM 1236 CA LEU A 80 13.597 -11.188 -7.392 1.00 23.25 C ATOM 1237 C LEU A 80 12.143 -10.749 -7.254 1.00 31.40 C ATOM 1238 O LEU A 80 11.859 -9.573 -7.029 1.00 75.54 O ATOM 1239 CB LEU A 80 14.090 -11.782 -6.071 1.00 12.03 C ATOM 1240 CG LEU A 80 13.248 -12.919 -5.490 1.00 53.33 C ATOM 1241 CD1 LEU A 80 14.127 -13.900 -4.731 1.00 34.13 C ATOM 1242 CD2 LEU A 80 12.157 -12.366 -4.585 1.00 12.41 C ATOM 0 H LEU A 80 14.163 -9.168 -7.399 1.00 33.43 H new ATOM 0 HA LEU A 80 13.655 -11.949 -8.170 1.00 23.25 H new ATOM 0 HB2 LEU A 80 15.106 -12.148 -6.217 1.00 12.03 H new ATOM 0 HB3 LEU A 80 14.142 -10.982 -5.333 1.00 12.03 H new ATOM 0 HG LEU A 80 12.773 -13.451 -6.314 1.00 53.33 H new ATOM 0 HD11 LEU A 80 13.511 -14.702 -4.325 1.00 34.13 H new ATOM 0 HD12 LEU A 80 14.871 -14.321 -5.408 1.00 34.13 H new ATOM 0 HD13 LEU A 80 14.631 -13.381 -3.916 1.00 34.13 H new ATOM 0 HD21 LEU A 80 11.568 -13.189 -4.181 1.00 12.41 H new ATOM 0 HD22 LEU A 80 12.611 -11.808 -3.766 1.00 12.41 H new ATOM 0 HD23 LEU A 80 11.509 -11.704 -5.159 1.00 12.41 H new ATOM 1254 N GLU A 81 11.227 -11.704 -7.388 1.00 50.53 N ATOM 1255 CA GLU A 81 9.802 -11.415 -7.277 1.00 40.43 C ATOM 1256 C GLU A 81 9.127 -12.372 -6.300 1.00 22.44 C ATOM 1257 O GLU A 81 9.039 -13.574 -6.551 1.00 65.32 O ATOM 1258 CB GLU A 81 9.131 -11.512 -8.649 1.00 11.00 C ATOM 1259 CG GLU A 81 8.736 -10.165 -9.230 1.00 53.12 C ATOM 1260 CD GLU A 81 8.361 -10.250 -10.697 1.00 45.33 C ATOM 1261 OE1 GLU A 81 7.456 -11.042 -11.033 1.00 51.50 O ATOM 1262 OE2 GLU A 81 8.974 -9.525 -11.509 1.00 73.12 O ATOM 0 H GLU A 81 11.446 -12.683 -7.573 1.00 50.53 H new ATOM 0 HA GLU A 81 9.692 -10.399 -6.898 1.00 40.43 H new ATOM 0 HB2 GLU A 81 9.809 -12.012 -9.341 1.00 11.00 H new ATOM 0 HB3 GLU A 81 8.242 -12.137 -8.566 1.00 11.00 H new ATOM 0 HG2 GLU A 81 7.894 -9.763 -8.666 1.00 53.12 H new ATOM 0 HG3 GLU A 81 9.563 -9.465 -9.110 1.00 53.12 H new ATOM 1269 N VAL A 82 8.652 -11.831 -5.182 1.00 42.25 N ATOM 1270 CA VAL A 82 7.985 -12.636 -4.166 1.00 53.24 C ATOM 1271 C VAL A 82 6.480 -12.689 -4.408 1.00 44.10 C ATOM 1272 O VAL A 82 5.772 -11.704 -4.194 1.00 62.45 O ATOM 1273 CB VAL A 82 8.247 -12.085 -2.752 1.00 43.02 C ATOM 1274 CG1 VAL A 82 7.872 -13.116 -1.699 1.00 71.31 C ATOM 1275 CG2 VAL A 82 9.702 -11.666 -2.606 1.00 24.54 C ATOM 0 H VAL A 82 8.717 -10.838 -4.957 1.00 42.25 H new ATOM 0 HA VAL A 82 8.398 -13.642 -4.238 1.00 53.24 H new ATOM 0 HB VAL A 82 7.622 -11.205 -2.602 1.00 43.02 H new ATOM 0 HG11 VAL A 82 8.064 -12.709 -0.706 1.00 71.31 H new ATOM 0 HG12 VAL A 82 6.814 -13.363 -1.792 1.00 71.31 H new ATOM 0 HG13 VAL A 82 8.468 -14.017 -1.843 1.00 71.31 H new ATOM 0 HG21 VAL A 82 9.870 -11.279 -1.601 1.00 24.54 H new ATOM 0 HG22 VAL A 82 10.348 -12.528 -2.776 1.00 24.54 H new ATOM 0 HG23 VAL A 82 9.932 -10.891 -3.337 1.00 24.54 H new ATOM 1285 N ILE A 83 5.999 -13.844 -4.854 1.00 72.10 N ATOM 1286 CA ILE A 83 4.578 -14.026 -5.123 1.00 51.01 C ATOM 1287 C ILE A 83 3.818 -14.382 -3.849 1.00 43.55 C ATOM 1288 O ILE A 83 4.290 -15.172 -3.032 1.00 64.24 O ATOM 1289 CB ILE A 83 4.340 -15.127 -6.173 1.00 42.15 C ATOM 1290 CG1 ILE A 83 2.842 -15.386 -6.342 1.00 73.31 C ATOM 1291 CG2 ILE A 83 5.063 -16.405 -5.774 1.00 52.22 C ATOM 1292 CD1 ILE A 83 2.327 -16.527 -5.493 1.00 73.42 C ATOM 0 H ILE A 83 6.572 -14.668 -5.037 1.00 72.10 H new ATOM 0 HA ILE A 83 4.207 -13.078 -5.512 1.00 51.01 H new ATOM 0 HB ILE A 83 4.741 -14.790 -7.129 1.00 42.15 H new ATOM 0 HG12 ILE A 83 2.294 -14.479 -6.088 1.00 73.31 H new ATOM 0 HG13 ILE A 83 2.635 -15.601 -7.390 1.00 73.31 H new ATOM 0 HG21 ILE A 83 4.885 -17.174 -6.526 1.00 52.22 H new ATOM 0 HG22 ILE A 83 6.133 -16.210 -5.701 1.00 52.22 H new ATOM 0 HG23 ILE A 83 4.690 -16.748 -4.809 1.00 52.22 H new ATOM 0 HD11 ILE A 83 1.258 -16.654 -5.664 1.00 73.42 H new ATOM 0 HD12 ILE A 83 2.849 -17.445 -5.762 1.00 73.42 H new ATOM 0 HD13 ILE A 83 2.503 -16.305 -4.440 1.00 73.42 H new ATOM 1304 N VAL A 84 2.637 -13.793 -3.687 1.00 64.25 N ATOM 1305 CA VAL A 84 1.810 -14.050 -2.515 1.00 11.12 C ATOM 1306 C VAL A 84 0.339 -14.170 -2.896 1.00 14.41 C ATOM 1307 O VAL A 84 -0.173 -13.382 -3.692 1.00 12.02 O ATOM 1308 CB VAL A 84 1.967 -12.936 -1.462 1.00 62.43 C ATOM 1309 CG1 VAL A 84 3.431 -12.758 -1.088 1.00 52.34 C ATOM 1310 CG2 VAL A 84 1.376 -11.632 -1.975 1.00 43.20 C ATOM 0 H VAL A 84 2.232 -13.135 -4.353 1.00 64.25 H new ATOM 0 HA VAL A 84 2.150 -14.994 -2.088 1.00 11.12 H new ATOM 0 HB VAL A 84 1.421 -13.227 -0.565 1.00 62.43 H new ATOM 0 HG11 VAL A 84 3.523 -11.967 -0.343 1.00 52.34 H new ATOM 0 HG12 VAL A 84 3.817 -13.690 -0.677 1.00 52.34 H new ATOM 0 HG13 VAL A 84 4.003 -12.489 -1.976 1.00 52.34 H new ATOM 0 HG21 VAL A 84 1.495 -10.856 -1.219 1.00 43.20 H new ATOM 0 HG22 VAL A 84 1.892 -11.332 -2.887 1.00 43.20 H new ATOM 0 HG23 VAL A 84 0.316 -11.772 -2.187 1.00 43.20 H new ATOM 1320 N ASP A 85 -0.337 -15.159 -2.322 1.00 65.54 N ATOM 1321 CA ASP A 85 -1.751 -15.382 -2.600 1.00 63.03 C ATOM 1322 C ASP A 85 -2.621 -14.786 -1.498 1.00 74.53 C ATOM 1323 O ASP A 85 -2.552 -15.207 -0.343 1.00 61.03 O ATOM 1324 CB ASP A 85 -2.036 -16.878 -2.740 1.00 63.20 C ATOM 1325 CG ASP A 85 -2.816 -17.204 -3.998 1.00 53.12 C ATOM 1326 OD1 ASP A 85 -2.249 -17.063 -5.102 1.00 50.10 O ATOM 1327 OD2 ASP A 85 -3.994 -17.601 -3.879 1.00 51.40 O ATOM 0 H ASP A 85 0.072 -15.819 -1.661 1.00 65.54 H new ATOM 0 HA ASP A 85 -1.994 -14.885 -3.539 1.00 63.03 H new ATOM 0 HB2 ASP A 85 -1.093 -17.425 -2.749 1.00 63.20 H new ATOM 0 HB3 ASP A 85 -2.596 -17.221 -1.870 1.00 63.20 H new ATOM 1332 N ARG A 86 -3.440 -13.805 -1.863 1.00 43.12 N ATOM 1333 CA ARG A 86 -4.322 -13.150 -0.905 1.00 51.11 C ATOM 1334 C ARG A 86 -3.522 -12.301 0.079 1.00 50.04 C ATOM 1335 O ARG A 86 -3.162 -12.744 1.169 1.00 33.14 O ATOM 1336 CB ARG A 86 -5.146 -14.190 -0.144 1.00 72.45 C ATOM 1337 CG ARG A 86 -6.559 -13.732 0.176 1.00 14.03 C ATOM 1338 CD ARG A 86 -7.485 -13.902 -1.018 1.00 42.24 C ATOM 1339 NE ARG A 86 -8.754 -13.203 -0.832 1.00 5.03 N ATOM 1340 CZ ARG A 86 -9.662 -13.060 -1.790 1.00 61.34 C ATOM 1341 NH1 ARG A 86 -9.443 -13.566 -2.996 1.00 40.03 N ATOM 1342 NH2 ARG A 86 -10.793 -12.411 -1.543 1.00 64.24 N ATOM 0 H ARG A 86 -3.511 -13.446 -2.815 1.00 43.12 H new ATOM 0 HA ARG A 86 -4.996 -12.496 -1.459 1.00 51.11 H new ATOM 0 HB2 ARG A 86 -5.195 -15.105 -0.734 1.00 72.45 H new ATOM 0 HB3 ARG A 86 -4.634 -14.437 0.786 1.00 72.45 H new ATOM 0 HG2 ARG A 86 -6.945 -14.303 1.021 1.00 14.03 H new ATOM 0 HG3 ARG A 86 -6.543 -12.685 0.479 1.00 14.03 H new ATOM 0 HD2 ARG A 86 -6.992 -13.526 -1.915 1.00 42.24 H new ATOM 0 HD3 ARG A 86 -7.676 -14.963 -1.180 1.00 42.24 H new ATOM 0 HE ARG A 86 -8.954 -12.803 0.085 1.00 5.03 H new ATOM 0 HH11 ARG A 86 -8.575 -14.066 -3.189 1.00 40.03 H new ATOM 0 HH12 ARG A 86 -10.142 -13.455 -3.730 1.00 40.03 H new ATOM 0 HH21 ARG A 86 -10.965 -12.021 -0.616 1.00 64.24 H new ATOM 0 HH22 ARG A 86 -11.490 -12.302 -2.280 1.00 64.24 H new ATOM 1356 N PRO A 87 -3.236 -11.051 -0.315 1.00 2.03 N ATOM 1357 CA PRO A 87 -3.658 -10.513 -1.611 1.00 53.32 C ATOM 1358 C PRO A 87 -2.913 -11.155 -2.776 1.00 43.31 C ATOM 1359 O PRO A 87 -1.831 -11.717 -2.600 1.00 71.20 O ATOM 1360 CB PRO A 87 -3.310 -9.026 -1.508 1.00 54.42 C ATOM 1361 CG PRO A 87 -2.207 -8.963 -0.509 1.00 13.11 C ATOM 1362 CD PRO A 87 -2.477 -10.067 0.476 1.00 72.03 C ATOM 0 HA PRO A 87 -4.713 -10.705 -1.808 1.00 53.32 H new ATOM 0 HB2 PRO A 87 -2.995 -8.626 -2.472 1.00 54.42 H new ATOM 0 HB3 PRO A 87 -4.170 -8.440 -1.185 1.00 54.42 H new ATOM 0 HG2 PRO A 87 -1.238 -9.097 -0.989 1.00 13.11 H new ATOM 0 HG3 PRO A 87 -2.186 -7.993 -0.012 1.00 13.11 H new ATOM 0 HD2 PRO A 87 -1.552 -10.492 0.867 1.00 72.03 H new ATOM 0 HD3 PRO A 87 -3.050 -9.711 1.332 1.00 72.03 H new ATOM 1370 N LEU A 88 -3.497 -11.067 -3.966 1.00 64.22 N ATOM 1371 CA LEU A 88 -2.887 -11.639 -5.161 1.00 62.55 C ATOM 1372 C LEU A 88 -1.964 -10.631 -5.838 1.00 41.01 C ATOM 1373 O LEU A 88 -2.425 -9.702 -6.501 1.00 4.23 O ATOM 1374 CB LEU A 88 -3.969 -12.095 -6.142 1.00 30.43 C ATOM 1375 CG LEU A 88 -4.221 -13.602 -6.210 1.00 40.03 C ATOM 1376 CD1 LEU A 88 -2.941 -14.341 -6.569 1.00 74.42 C ATOM 1377 CD2 LEU A 88 -4.780 -14.110 -4.889 1.00 50.13 C ATOM 0 H LEU A 88 -4.392 -10.605 -4.129 1.00 64.22 H new ATOM 0 HA LEU A 88 -2.293 -12.501 -4.858 1.00 62.55 H new ATOM 0 HB2 LEU A 88 -4.904 -11.602 -5.876 1.00 30.43 H new ATOM 0 HB3 LEU A 88 -3.698 -11.747 -7.139 1.00 30.43 H new ATOM 0 HG LEU A 88 -4.958 -13.793 -6.990 1.00 40.03 H new ATOM 0 HD11 LEU A 88 -3.139 -15.412 -6.613 1.00 74.42 H new ATOM 0 HD12 LEU A 88 -2.583 -13.998 -7.540 1.00 74.42 H new ATOM 0 HD13 LEU A 88 -2.182 -14.143 -5.812 1.00 74.42 H new ATOM 0 HD21 LEU A 88 -4.953 -15.184 -4.956 1.00 50.13 H new ATOM 0 HD22 LEU A 88 -4.067 -13.907 -4.090 1.00 50.13 H new ATOM 0 HD23 LEU A 88 -5.721 -13.604 -4.673 1.00 50.13 H new ATOM 1389 N GLN A 89 -0.660 -10.823 -5.668 1.00 2.22 N ATOM 1390 CA GLN A 89 0.327 -9.930 -6.264 1.00 23.33 C ATOM 1391 C GLN A 89 1.744 -10.379 -5.920 1.00 40.52 C ATOM 1392 O GLN A 89 1.939 -11.367 -5.213 1.00 22.01 O ATOM 1393 CB GLN A 89 0.103 -8.495 -5.784 1.00 64.04 C ATOM 1394 CG GLN A 89 -0.112 -8.381 -4.284 1.00 35.40 C ATOM 1395 CD GLN A 89 0.222 -7.003 -3.749 1.00 0.00 C ATOM 1396 OE1 GLN A 89 1.241 -6.414 -4.112 1.00 31.15 O ATOM 1397 NE2 GLN A 89 -0.636 -6.480 -2.881 1.00 75.03 N ATOM 0 H GLN A 89 -0.263 -11.588 -5.123 1.00 2.22 H new ATOM 0 HA GLN A 89 0.206 -9.966 -7.347 1.00 23.33 H new ATOM 0 HB2 GLN A 89 0.963 -7.888 -6.066 1.00 64.04 H new ATOM 0 HB3 GLN A 89 -0.763 -8.080 -6.299 1.00 64.04 H new ATOM 0 HG2 GLN A 89 -1.151 -8.615 -4.051 1.00 35.40 H new ATOM 0 HG3 GLN A 89 0.504 -9.123 -3.775 1.00 35.40 H new ATOM 0 HE21 GLN A 89 -1.468 -7.003 -2.608 1.00 75.03 H new ATOM 0 HE22 GLN A 89 -0.463 -5.555 -2.487 1.00 75.03 H new ATOM 1406 N VAL A 90 2.731 -9.645 -6.426 1.00 74.11 N ATOM 1407 CA VAL A 90 4.130 -9.967 -6.172 1.00 51.52 C ATOM 1408 C VAL A 90 4.875 -8.765 -5.602 1.00 31.14 C ATOM 1409 O VAL A 90 4.462 -7.620 -5.786 1.00 41.14 O ATOM 1410 CB VAL A 90 4.840 -10.435 -7.456 1.00 41.21 C ATOM 1411 CG1 VAL A 90 4.468 -11.874 -7.778 1.00 31.11 C ATOM 1412 CG2 VAL A 90 4.500 -9.515 -8.619 1.00 15.33 C ATOM 0 H VAL A 90 2.587 -8.824 -7.014 1.00 74.11 H new ATOM 0 HA VAL A 90 4.141 -10.778 -5.443 1.00 51.52 H new ATOM 0 HB VAL A 90 5.917 -10.391 -7.291 1.00 41.21 H new ATOM 0 HG11 VAL A 90 4.979 -12.187 -8.688 1.00 31.11 H new ATOM 0 HG12 VAL A 90 4.767 -12.521 -6.953 1.00 31.11 H new ATOM 0 HG13 VAL A 90 3.390 -11.947 -7.924 1.00 31.11 H new ATOM 0 HG21 VAL A 90 5.010 -9.861 -9.518 1.00 15.33 H new ATOM 0 HG22 VAL A 90 3.423 -9.524 -8.787 1.00 15.33 H new ATOM 0 HG23 VAL A 90 4.823 -8.500 -8.386 1.00 15.33 H new ATOM 1422 N PHE A 91 5.976 -9.034 -4.907 1.00 52.44 N ATOM 1423 CA PHE A 91 6.780 -7.974 -4.309 1.00 35.33 C ATOM 1424 C PHE A 91 8.124 -7.845 -5.018 1.00 24.10 C ATOM 1425 O PHE A 91 8.747 -8.844 -5.380 1.00 33.31 O ATOM 1426 CB PHE A 91 7.000 -8.251 -2.820 1.00 72.52 C ATOM 1427 CG PHE A 91 5.738 -8.196 -2.007 1.00 2.30 C ATOM 1428 CD1 PHE A 91 5.160 -6.979 -1.684 1.00 53.21 C ATOM 1429 CD2 PHE A 91 5.130 -9.360 -1.566 1.00 25.21 C ATOM 1430 CE1 PHE A 91 3.999 -6.925 -0.935 1.00 43.23 C ATOM 1431 CE2 PHE A 91 3.970 -9.312 -0.817 1.00 73.41 C ATOM 1432 CZ PHE A 91 3.403 -8.093 -0.502 1.00 71.03 C ATOM 0 H PHE A 91 6.331 -9.976 -4.744 1.00 52.44 H new ATOM 0 HA PHE A 91 6.239 -7.034 -4.421 1.00 35.33 H new ATOM 0 HB2 PHE A 91 7.454 -9.235 -2.705 1.00 72.52 H new ATOM 0 HB3 PHE A 91 7.710 -7.524 -2.424 1.00 72.52 H new ATOM 0 HD1 PHE A 91 5.621 -6.062 -2.021 1.00 53.21 H new ATOM 0 HD2 PHE A 91 5.568 -10.316 -1.811 1.00 25.21 H new ATOM 0 HE1 PHE A 91 3.559 -5.970 -0.689 1.00 43.23 H new ATOM 0 HE2 PHE A 91 3.507 -10.227 -0.478 1.00 73.41 H new ATOM 0 HZ PHE A 91 2.495 -8.053 0.082 1.00 71.03 H new ATOM 1442 N HIS A 92 8.567 -6.607 -5.214 1.00 31.01 N ATOM 1443 CA HIS A 92 9.838 -6.346 -5.880 1.00 0.11 C ATOM 1444 C HIS A 92 10.996 -6.417 -4.889 1.00 34.35 C ATOM 1445 O HIS A 92 11.109 -5.583 -3.990 1.00 64.42 O ATOM 1446 CB HIS A 92 9.812 -4.974 -6.554 1.00 3.32 C ATOM 1447 CG HIS A 92 10.249 -5.002 -7.986 1.00 42.41 C ATOM 1448 ND1 HIS A 92 11.573 -5.058 -8.368 1.00 71.43 N ATOM 1449 CD2 HIS A 92 9.529 -4.982 -9.132 1.00 11.11 C ATOM 1450 CE1 HIS A 92 11.648 -5.071 -9.687 1.00 50.31 C ATOM 1451 NE2 HIS A 92 10.421 -5.025 -10.175 1.00 23.43 N ATOM 0 H HIS A 92 8.065 -5.769 -4.921 1.00 31.01 H new ATOM 0 HA HIS A 92 9.986 -7.113 -6.640 1.00 0.11 H new ATOM 0 HB2 HIS A 92 8.801 -4.570 -6.499 1.00 3.32 H new ATOM 0 HB3 HIS A 92 10.458 -4.293 -5.999 1.00 3.32 H new ATOM 0 HD2 HIS A 92 8.453 -4.940 -9.211 1.00 11.11 H new ATOM 0 HE1 HIS A 92 12.558 -5.112 -10.268 1.00 50.31 H new ATOM 0 HE2 HIS A 92 10.176 -5.022 -11.165 1.00 23.43 H new ATOM 1459 N VAL A 93 11.852 -7.420 -5.058 1.00 3.44 N ATOM 1460 CA VAL A 93 13.001 -7.600 -4.178 1.00 42.22 C ATOM 1461 C VAL A 93 14.310 -7.418 -4.939 1.00 54.52 C ATOM 1462 O VAL A 93 14.484 -7.959 -6.030 1.00 44.44 O ATOM 1463 CB VAL A 93 12.992 -8.993 -3.521 1.00 50.21 C ATOM 1464 CG1 VAL A 93 14.251 -9.202 -2.694 1.00 44.32 C ATOM 1465 CG2 VAL A 93 11.747 -9.169 -2.665 1.00 71.42 C ATOM 0 H VAL A 93 11.772 -8.120 -5.796 1.00 3.44 H new ATOM 0 HA VAL A 93 12.927 -6.839 -3.401 1.00 42.22 H new ATOM 0 HB VAL A 93 12.974 -9.747 -4.308 1.00 50.21 H new ATOM 0 HG11 VAL A 93 14.226 -10.192 -2.238 1.00 44.32 H new ATOM 0 HG12 VAL A 93 15.127 -9.121 -3.338 1.00 44.32 H new ATOM 0 HG13 VAL A 93 14.303 -8.444 -1.913 1.00 44.32 H new ATOM 0 HG21 VAL A 93 11.756 -10.159 -2.208 1.00 71.42 H new ATOM 0 HG22 VAL A 93 11.732 -8.409 -1.884 1.00 71.42 H new ATOM 0 HG23 VAL A 93 10.859 -9.066 -3.289 1.00 71.42 H new ATOM 1475 N GLU A 94 15.226 -6.652 -4.355 1.00 20.01 N ATOM 1476 CA GLU A 94 16.519 -6.399 -4.979 1.00 3.50 C ATOM 1477 C GLU A 94 17.651 -6.544 -3.965 1.00 75.12 C ATOM 1478 O GLU A 94 17.795 -5.725 -3.058 1.00 5.21 O ATOM 1479 CB GLU A 94 16.548 -4.998 -5.594 1.00 11.32 C ATOM 1480 CG GLU A 94 15.791 -4.894 -6.907 1.00 51.22 C ATOM 1481 CD GLU A 94 15.787 -3.485 -7.468 1.00 74.12 C ATOM 1482 OE1 GLU A 94 16.736 -2.728 -7.179 1.00 44.23 O ATOM 1483 OE2 GLU A 94 14.833 -3.140 -8.197 1.00 34.41 O ATOM 0 H GLU A 94 15.097 -6.196 -3.452 1.00 20.01 H new ATOM 0 HA GLU A 94 16.663 -7.138 -5.767 1.00 3.50 H new ATOM 0 HB2 GLU A 94 16.124 -4.289 -4.883 1.00 11.32 H new ATOM 0 HB3 GLU A 94 17.585 -4.704 -5.758 1.00 11.32 H new ATOM 0 HG2 GLU A 94 16.240 -5.570 -7.635 1.00 51.22 H new ATOM 0 HG3 GLU A 94 14.763 -5.224 -6.757 1.00 51.22 H new ATOM 1490 N VAL A 95 18.450 -7.594 -4.126 1.00 50.11 N ATOM 1491 CA VAL A 95 19.569 -7.848 -3.226 1.00 52.23 C ATOM 1492 C VAL A 95 20.901 -7.567 -3.913 1.00 13.54 C ATOM 1493 O VAL A 95 21.181 -8.099 -4.986 1.00 2.21 O ATOM 1494 CB VAL A 95 19.562 -9.302 -2.719 1.00 62.21 C ATOM 1495 CG1 VAL A 95 18.337 -9.561 -1.855 1.00 4.10 C ATOM 1496 CG2 VAL A 95 19.615 -10.274 -3.888 1.00 51.02 C ATOM 0 H VAL A 95 18.343 -8.282 -4.871 1.00 50.11 H new ATOM 0 HA VAL A 95 19.452 -7.175 -2.377 1.00 52.23 H new ATOM 0 HB VAL A 95 20.449 -9.458 -2.105 1.00 62.21 H new ATOM 0 HG11 VAL A 95 18.350 -10.594 -1.506 1.00 4.10 H new ATOM 0 HG12 VAL A 95 18.348 -8.888 -0.998 1.00 4.10 H new ATOM 0 HG13 VAL A 95 17.435 -9.387 -2.441 1.00 4.10 H new ATOM 0 HG21 VAL A 95 19.609 -11.297 -3.511 1.00 51.02 H new ATOM 0 HG22 VAL A 95 18.748 -10.119 -4.530 1.00 51.02 H new ATOM 0 HG23 VAL A 95 20.526 -10.104 -4.462 1.00 51.02 H new ATOM 1506 N GLU A 96 21.718 -6.727 -3.285 1.00 10.32 N ATOM 1507 CA GLU A 96 23.021 -6.375 -3.836 1.00 42.42 C ATOM 1508 C GLU A 96 24.144 -7.051 -3.054 1.00 75.35 C ATOM 1509 O GLU A 96 23.986 -7.380 -1.879 1.00 33.04 O ATOM 1510 CB GLU A 96 23.215 -4.857 -3.817 1.00 54.11 C ATOM 1511 CG GLU A 96 22.728 -4.165 -5.079 1.00 71.35 C ATOM 1512 CD GLU A 96 22.645 -2.659 -4.925 1.00 22.13 C ATOM 1513 OE1 GLU A 96 23.007 -2.153 -3.842 1.00 51.42 O ATOM 1514 OE2 GLU A 96 22.219 -1.987 -5.887 1.00 72.01 O ATOM 0 H GLU A 96 21.501 -6.278 -2.395 1.00 10.32 H new ATOM 0 HA GLU A 96 23.057 -6.726 -4.867 1.00 42.42 H new ATOM 0 HB2 GLU A 96 22.687 -4.442 -2.959 1.00 54.11 H new ATOM 0 HB3 GLU A 96 24.273 -4.636 -3.677 1.00 54.11 H new ATOM 0 HG2 GLU A 96 23.400 -4.405 -5.903 1.00 71.35 H new ATOM 0 HG3 GLU A 96 21.745 -4.554 -5.346 1.00 71.35 H new ATOM 1521 N VAL A 97 25.278 -7.257 -3.717 1.00 14.22 N ATOM 1522 CA VAL A 97 26.427 -7.893 -3.085 1.00 62.52 C ATOM 1523 C VAL A 97 27.391 -6.854 -2.524 1.00 22.42 C ATOM 1524 O VAL A 97 27.643 -5.824 -3.149 1.00 75.10 O ATOM 1525 CB VAL A 97 27.184 -8.797 -4.077 1.00 51.43 C ATOM 1526 CG1 VAL A 97 26.415 -10.086 -4.319 1.00 75.33 C ATOM 1527 CG2 VAL A 97 27.431 -8.060 -5.385 1.00 64.42 C ATOM 0 H VAL A 97 25.425 -6.993 -4.691 1.00 14.22 H new ATOM 0 HA VAL A 97 26.041 -8.504 -2.269 1.00 62.52 H new ATOM 0 HB VAL A 97 28.150 -9.055 -3.643 1.00 51.43 H new ATOM 0 HG11 VAL A 97 26.965 -10.711 -5.022 1.00 75.33 H new ATOM 0 HG12 VAL A 97 26.294 -10.620 -3.376 1.00 75.33 H new ATOM 0 HG13 VAL A 97 25.434 -9.852 -4.732 1.00 75.33 H new ATOM 0 HG21 VAL A 97 27.967 -8.712 -6.075 1.00 64.42 H new ATOM 0 HG22 VAL A 97 26.477 -7.771 -5.826 1.00 64.42 H new ATOM 0 HG23 VAL A 97 28.027 -7.168 -5.193 1.00 64.42 H new ATOM 1537 N ARG A 98 27.929 -7.132 -1.341 1.00 33.45 N ATOM 1538 CA ARG A 98 28.865 -6.221 -0.694 1.00 22.22 C ATOM 1539 C ARG A 98 30.242 -6.864 -0.556 1.00 21.30 C ATOM 1540 O ARG A 98 30.450 -7.735 0.289 1.00 12.14 O ATOM 1541 CB ARG A 98 28.342 -5.811 0.684 1.00 73.20 C ATOM 1542 CG ARG A 98 28.657 -4.370 1.051 1.00 31.42 C ATOM 1543 CD ARG A 98 30.052 -4.238 1.642 1.00 32.41 C ATOM 1544 NE ARG A 98 30.048 -3.482 2.892 1.00 73.25 N ATOM 1545 CZ ARG A 98 31.146 -3.198 3.582 1.00 22.23 C ATOM 1546 NH1 ARG A 98 32.331 -3.605 3.147 1.00 33.11 N ATOM 1547 NH2 ARG A 98 31.061 -2.505 4.711 1.00 63.33 N ATOM 0 H ARG A 98 27.733 -7.981 -0.811 1.00 33.45 H new ATOM 0 HA ARG A 98 28.958 -5.333 -1.319 1.00 22.22 H new ATOM 0 HB2 ARG A 98 27.262 -5.956 0.711 1.00 73.20 H new ATOM 0 HB3 ARG A 98 28.772 -6.471 1.437 1.00 73.20 H new ATOM 0 HG2 ARG A 98 28.575 -3.741 0.164 1.00 31.42 H new ATOM 0 HG3 ARG A 98 27.921 -4.007 1.768 1.00 31.42 H new ATOM 0 HD2 ARG A 98 30.466 -5.231 1.820 1.00 32.41 H new ATOM 0 HD3 ARG A 98 30.705 -3.745 0.922 1.00 32.41 H new ATOM 0 HE ARG A 98 29.153 -3.154 3.254 1.00 73.25 H new ATOM 0 HH11 ARG A 98 32.401 -4.138 2.280 1.00 33.11 H new ATOM 0 HH12 ARG A 98 33.173 -3.385 3.679 1.00 33.11 H new ATOM 0 HH21 ARG A 98 30.152 -2.190 5.049 1.00 63.33 H new ATOM 0 HH22 ARG A 98 31.905 -2.287 5.241 1.00 63.33 H new ATOM 1561 N ASP A 99 31.178 -6.430 -1.392 1.00 44.11 N ATOM 1562 CA ASP A 99 32.536 -6.962 -1.364 1.00 33.44 C ATOM 1563 C ASP A 99 33.394 -6.321 -2.449 1.00 42.41 C ATOM 1564 O ASP A 99 32.954 -5.401 -3.140 1.00 34.23 O ATOM 1565 CB ASP A 99 32.514 -8.481 -1.544 1.00 65.01 C ATOM 1566 CG ASP A 99 32.984 -9.218 -0.305 1.00 43.13 C ATOM 1567 OD1 ASP A 99 32.812 -8.678 0.808 1.00 45.32 O ATOM 1568 OD2 ASP A 99 33.523 -10.335 -0.449 1.00 31.24 O ATOM 0 H ASP A 99 31.022 -5.711 -2.098 1.00 44.11 H new ATOM 0 HA ASP A 99 32.973 -6.724 -0.394 1.00 33.44 H new ATOM 0 HB2 ASP A 99 31.501 -8.800 -1.791 1.00 65.01 H new ATOM 0 HB3 ASP A 99 33.148 -8.753 -2.388 1.00 65.01 H new ATOM 1573 N ILE A 100 34.621 -6.810 -2.593 1.00 31.42 N ATOM 1574 CA ILE A 100 35.540 -6.284 -3.594 1.00 25.50 C ATOM 1575 C ILE A 100 35.834 -7.324 -4.670 1.00 44.14 C ATOM 1576 O ILE A 100 35.706 -8.525 -4.439 1.00 30.22 O ATOM 1577 CB ILE A 100 36.868 -5.832 -2.957 1.00 33.21 C ATOM 1578 CG1 ILE A 100 37.680 -5.002 -3.953 1.00 61.42 C ATOM 1579 CG2 ILE A 100 37.668 -7.038 -2.487 1.00 73.01 C ATOM 1580 CD1 ILE A 100 38.437 -3.860 -3.312 1.00 63.35 C ATOM 0 H ILE A 100 35.002 -7.570 -2.029 1.00 31.42 H new ATOM 0 HA ILE A 100 35.052 -5.422 -4.048 1.00 25.50 H new ATOM 0 HB ILE A 100 36.645 -5.209 -2.091 1.00 33.21 H new ATOM 0 HG12 ILE A 100 38.387 -5.654 -4.465 1.00 61.42 H new ATOM 0 HG13 ILE A 100 37.008 -4.601 -4.712 1.00 61.42 H new ATOM 0 HG21 ILE A 100 38.603 -6.702 -2.039 1.00 73.01 H new ATOM 0 HG22 ILE A 100 37.090 -7.592 -1.747 1.00 73.01 H new ATOM 0 HG23 ILE A 100 37.884 -7.685 -3.337 1.00 73.01 H new ATOM 0 HD11 ILE A 100 38.990 -3.315 -4.077 1.00 63.35 H new ATOM 0 HD12 ILE A 100 37.733 -3.186 -2.824 1.00 63.35 H new ATOM 0 HD13 ILE A 100 39.134 -4.255 -2.573 1.00 63.35 H new ATOM 1592 N ASN A 101 36.231 -6.852 -5.848 1.00 22.31 N ATOM 1593 CA ASN A 101 36.545 -7.741 -6.961 1.00 21.23 C ATOM 1594 C ASN A 101 37.926 -8.367 -6.785 1.00 15.33 C ATOM 1595 O ASN A 101 38.119 -9.554 -7.048 1.00 14.30 O ATOM 1596 CB ASN A 101 36.485 -6.976 -8.284 1.00 74.24 C ATOM 1597 CG ASN A 101 35.827 -7.782 -9.388 1.00 53.41 C ATOM 1598 OD1 ASN A 101 35.629 -8.990 -9.257 1.00 45.30 O ATOM 1599 ND2 ASN A 101 35.484 -7.114 -10.484 1.00 12.14 N ATOM 0 H ASN A 101 36.343 -5.860 -6.056 1.00 22.31 H new ATOM 0 HA ASN A 101 35.803 -8.539 -6.976 1.00 21.23 H new ATOM 0 HB2 ASN A 101 35.934 -6.047 -8.139 1.00 74.24 H new ATOM 0 HB3 ASN A 101 37.495 -6.704 -8.589 1.00 74.24 H new ATOM 0 HD21 ASN A 101 35.037 -7.602 -11.260 1.00 12.14 H new ATOM 0 HD22 ASN A 101 35.667 -6.113 -10.549 1.00 12.14 H new ATOM 1606 N ASP A 102 38.882 -7.560 -6.337 1.00 74.14 N ATOM 1607 CA ASP A 102 40.244 -8.034 -6.124 1.00 61.21 C ATOM 1608 C ASP A 102 40.264 -9.213 -5.155 1.00 40.45 C ATOM 1609 O ASP A 102 41.188 -10.025 -5.170 1.00 52.10 O ATOM 1610 CB ASP A 102 41.123 -6.903 -5.588 1.00 54.32 C ATOM 1611 CG ASP A 102 41.348 -5.809 -6.614 1.00 20.40 C ATOM 1612 OD1 ASP A 102 40.403 -5.036 -6.873 1.00 40.42 O ATOM 1613 OD2 ASP A 102 42.469 -5.728 -7.158 1.00 63.13 O ATOM 0 H ASP A 102 38.738 -6.575 -6.115 1.00 74.14 H new ATOM 0 HA ASP A 102 40.640 -8.368 -7.083 1.00 61.21 H new ATOM 0 HB2 ASP A 102 40.658 -6.475 -4.700 1.00 54.32 H new ATOM 0 HB3 ASP A 102 42.085 -7.310 -5.278 1.00 54.32 H new ATOM 1618 N ASN A 103 39.239 -9.298 -4.314 1.00 53.11 N ATOM 1619 CA ASN A 103 39.139 -10.376 -3.337 1.00 24.00 C ATOM 1620 C ASN A 103 40.290 -10.312 -2.337 1.00 43.14 C ATOM 1621 O ASN A 103 40.505 -9.289 -1.688 1.00 51.53 O ATOM 1622 CB ASN A 103 39.137 -11.733 -4.043 1.00 23.52 C ATOM 1623 CG ASN A 103 38.575 -12.838 -3.170 1.00 33.35 C ATOM 1624 OD1 ASN A 103 37.902 -12.575 -2.173 1.00 32.12 O ATOM 1625 ND2 ASN A 103 38.849 -14.083 -3.541 1.00 71.40 N ATOM 0 H ASN A 103 38.466 -8.633 -4.289 1.00 53.11 H new ATOM 0 HA ASN A 103 38.202 -10.255 -2.794 1.00 24.00 H new ATOM 0 HB2 ASN A 103 38.549 -11.662 -4.958 1.00 23.52 H new ATOM 0 HB3 ASN A 103 40.155 -11.988 -4.337 1.00 23.52 H new ATOM 0 HD21 ASN A 103 38.498 -14.868 -2.992 1.00 71.40 H new ATOM 0 HD22 ASN A 103 39.411 -14.255 -4.375 1.00 71.40 H new TER 1632 ASN A 103