USER MOD reduce.3.24.130724 H: found=0, std=0, add=951, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 949 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.722 K(o=-0.72,f=-7.6!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.097) USER MOD Single : A 19 ASN : amide:sc= -2.06 K(o=-2.1,f=-11!) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.957 USER MOD Single : A 24 GLN : amide:sc= -6.21! C(o=-6.2!,f=-8.7!) USER MOD Single : A 25 THR OG1 : rot -45:sc= 0.0994 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -159:sc= -0.114 (180deg=-0.354) USER MOD Single : A 51 GLN : amide:sc= -0.585 X(o=-0.58,f=-0.62) USER MOD Single : A 54 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.014) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -1.79 X(o=-1.8,f=-1.6) USER MOD Single : A 75 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.0572) USER MOD Single : A 79 SER OG : rot 79:sc= -0.0288 USER MOD Single : A 80 SER OG : rot -10:sc= 0.743 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= -0.702 USER MOD Single : A 92 HIS : no HD1:sc= -1.34 K(o=-1.3,f=-0.24) USER MOD Single : A 95 LYS NZ :NH3+ 142:sc= -0.694 (180deg=-2.09!) USER MOD Single : A 97 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= -0.024 X(o=-0.024,f=0) USER MOD Single : A 114 THR OG1 : rot 180:sc= -0.0399 USER MOD Single : A 115 LYS NZ :NH3+ 158:sc= -0.0782 (180deg=-0.478) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.217 -23.955 -3.400 1.00 0.00 N ATOM 2 CA GLY A 1 4.722 -22.663 -3.826 1.00 0.00 C ATOM 3 C GLY A 1 4.352 -21.550 -2.865 1.00 0.00 C ATOM 4 O GLY A 1 5.194 -20.731 -2.499 1.00 0.00 O ATOM 0 H1 GLY A 1 4.496 -24.682 -4.090 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.613 -24.192 -2.468 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.180 -23.919 -3.337 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.807 -22.713 -3.919 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.328 -22.431 -4.815 1.00 0.00 H new ATOM 8 N SER A 2 3.087 -21.519 -2.458 1.00 0.00 N ATOM 9 CA SER A 2 2.605 -20.495 -1.538 1.00 0.00 C ATOM 10 C SER A 2 1.728 -21.110 -0.452 1.00 0.00 C ATOM 11 O SER A 2 1.170 -22.193 -0.628 1.00 0.00 O ATOM 12 CB SER A 2 1.820 -19.425 -2.299 1.00 0.00 C ATOM 13 OG SER A 2 2.689 -18.456 -2.860 1.00 0.00 O ATOM 0 H SER A 2 2.378 -22.191 -2.751 1.00 0.00 H new ATOM 0 HA SER A 2 3.470 -20.032 -1.063 1.00 0.00 H new ATOM 0 HB2 SER A 2 1.234 -19.893 -3.090 1.00 0.00 H new ATOM 0 HB3 SER A 2 1.115 -18.939 -1.625 1.00 0.00 H new ATOM 0 HG SER A 2 2.163 -17.785 -3.342 1.00 0.00 H new ATOM 19 N SER A 3 1.611 -20.410 0.672 1.00 0.00 N ATOM 20 CA SER A 3 0.805 -20.887 1.790 1.00 0.00 C ATOM 21 C SER A 3 -0.681 -20.830 1.451 1.00 0.00 C ATOM 22 O SER A 3 -1.077 -20.260 0.435 1.00 0.00 O ATOM 23 CB SER A 3 1.087 -20.054 3.041 1.00 0.00 C ATOM 24 OG SER A 3 0.933 -18.670 2.778 1.00 0.00 O ATOM 0 H SER A 3 2.064 -19.510 0.833 1.00 0.00 H new ATOM 0 HA SER A 3 1.076 -21.925 1.985 1.00 0.00 H new ATOM 0 HB2 SER A 3 0.410 -20.353 3.841 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.100 -20.250 3.391 1.00 0.00 H new ATOM 0 HG SER A 3 1.117 -18.159 3.594 1.00 0.00 H new ATOM 30 N GLY A 4 -1.501 -21.427 2.311 1.00 0.00 N ATOM 31 CA GLY A 4 -2.935 -21.433 2.086 1.00 0.00 C ATOM 32 C GLY A 4 -3.563 -20.072 2.307 1.00 0.00 C ATOM 33 O GLY A 4 -4.381 -19.620 1.506 1.00 0.00 O ATOM 0 H GLY A 4 -1.198 -21.906 3.159 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.138 -21.762 1.067 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.401 -22.157 2.754 1.00 0.00 H new ATOM 37 N SER A 5 -3.181 -19.415 3.398 1.00 0.00 N ATOM 38 CA SER A 5 -3.716 -18.099 3.725 1.00 0.00 C ATOM 39 C SER A 5 -2.633 -17.030 3.617 1.00 0.00 C ATOM 40 O SER A 5 -1.977 -16.693 4.603 1.00 0.00 O ATOM 41 CB SER A 5 -4.307 -18.102 5.136 1.00 0.00 C ATOM 42 OG SER A 5 -5.164 -16.990 5.332 1.00 0.00 O ATOM 0 H SER A 5 -2.503 -19.773 4.070 1.00 0.00 H new ATOM 0 HA SER A 5 -4.504 -17.866 3.009 1.00 0.00 H new ATOM 0 HB2 SER A 5 -4.862 -19.026 5.299 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.502 -18.079 5.871 1.00 0.00 H new ATOM 0 HG SER A 5 -5.530 -17.015 6.241 1.00 0.00 H new ATOM 48 N SER A 6 -2.452 -16.500 2.412 1.00 0.00 N ATOM 49 CA SER A 6 -1.446 -15.471 2.173 1.00 0.00 C ATOM 50 C SER A 6 -1.673 -14.267 3.082 1.00 0.00 C ATOM 51 O SER A 6 -0.748 -13.783 3.732 1.00 0.00 O ATOM 52 CB SER A 6 -1.475 -15.031 0.708 1.00 0.00 C ATOM 53 OG SER A 6 -0.356 -14.219 0.397 1.00 0.00 O ATOM 0 H SER A 6 -2.988 -16.766 1.586 1.00 0.00 H new ATOM 0 HA SER A 6 -0.468 -15.895 2.399 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.482 -15.909 0.062 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.394 -14.481 0.509 1.00 0.00 H new ATOM 0 HG SER A 6 -0.397 -13.952 -0.545 1.00 0.00 H new ATOM 59 N GLY A 7 -2.913 -13.789 3.121 1.00 0.00 N ATOM 60 CA GLY A 7 -3.241 -12.645 3.952 1.00 0.00 C ATOM 61 C GLY A 7 -4.253 -12.983 5.029 1.00 0.00 C ATOM 62 O GLY A 7 -5.340 -13.482 4.737 1.00 0.00 O ATOM 0 H GLY A 7 -3.696 -14.173 2.592 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.332 -12.266 4.418 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.635 -11.845 3.325 1.00 0.00 H new ATOM 66 N LYS A 8 -3.896 -12.712 6.280 1.00 0.00 N ATOM 67 CA LYS A 8 -4.780 -12.990 7.406 1.00 0.00 C ATOM 68 C LYS A 8 -5.459 -11.714 7.893 1.00 0.00 C ATOM 69 O LYS A 8 -4.852 -10.644 7.956 1.00 0.00 O ATOM 70 CB LYS A 8 -3.994 -13.631 8.552 1.00 0.00 C ATOM 71 CG LYS A 8 -4.527 -13.276 9.929 1.00 0.00 C ATOM 72 CD LYS A 8 -4.281 -14.395 10.928 1.00 0.00 C ATOM 73 CE LYS A 8 -4.818 -14.039 12.306 1.00 0.00 C ATOM 74 NZ LYS A 8 -4.735 -15.190 13.247 1.00 0.00 N ATOM 0 H LYS A 8 -3.000 -12.300 6.540 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.550 -13.684 7.068 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -4.013 -14.714 8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -2.951 -13.321 8.484 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -4.049 -12.362 10.281 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.596 -13.073 9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.757 -15.310 10.576 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.212 -14.597 10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.254 -13.198 12.710 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.855 -13.715 12.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.110 -14.908 14.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -5.294 -15.984 12.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -3.743 -15.483 13.350 1.00 0.00 H new ATOM 88 N PRO A 9 -6.747 -11.826 8.247 1.00 0.00 N ATOM 89 CA PRO A 9 -7.536 -10.692 8.737 1.00 0.00 C ATOM 90 C PRO A 9 -7.093 -10.233 10.122 1.00 0.00 C ATOM 91 O PRO A 9 -7.489 -10.811 11.134 1.00 0.00 O ATOM 92 CB PRO A 9 -8.962 -11.246 8.788 1.00 0.00 C ATOM 93 CG PRO A 9 -8.791 -12.717 8.945 1.00 0.00 C ATOM 94 CD PRO A 9 -7.534 -13.070 8.198 1.00 0.00 C ATOM 0 HA PRO A 9 -7.428 -9.815 8.099 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -9.522 -10.821 9.621 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -9.513 -11.006 7.878 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -8.710 -12.990 9.997 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -9.649 -13.255 8.541 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.006 -13.899 8.670 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.747 -13.370 7.172 1.00 0.00 H new ATOM 102 N ASN A 10 -6.270 -9.190 10.160 1.00 0.00 N ATOM 103 CA ASN A 10 -5.773 -8.654 11.422 1.00 0.00 C ATOM 104 C ASN A 10 -6.912 -8.062 12.248 1.00 0.00 C ATOM 105 O ASN A 10 -8.081 -8.159 11.872 1.00 0.00 O ATOM 106 CB ASN A 10 -4.709 -7.586 11.163 1.00 0.00 C ATOM 107 CG ASN A 10 -5.216 -6.469 10.271 1.00 0.00 C ATOM 108 OD1 ASN A 10 -6.389 -6.100 10.325 1.00 0.00 O ATOM 109 ND2 ASN A 10 -4.331 -5.924 9.444 1.00 0.00 N ATOM 0 H ASN A 10 -5.933 -8.699 9.332 1.00 0.00 H new ATOM 0 HA ASN A 10 -5.327 -9.474 11.985 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.380 -7.167 12.114 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -3.838 -8.050 10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -4.614 -5.168 8.820 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -3.368 -6.261 9.433 1.00 0.00 H new ATOM 116 N LEU A 11 -6.563 -7.449 13.373 1.00 0.00 N ATOM 117 CA LEU A 11 -7.555 -6.841 14.253 1.00 0.00 C ATOM 118 C LEU A 11 -7.990 -5.479 13.723 1.00 0.00 C ATOM 119 O LEU A 11 -8.112 -4.517 14.480 1.00 0.00 O ATOM 120 CB LEU A 11 -6.991 -6.695 15.667 1.00 0.00 C ATOM 121 CG LEU A 11 -7.113 -7.923 16.569 1.00 0.00 C ATOM 122 CD1 LEU A 11 -6.186 -7.800 17.768 1.00 0.00 C ATOM 123 CD2 LEU A 11 -8.553 -8.111 17.023 1.00 0.00 C ATOM 0 H LEU A 11 -5.600 -7.360 13.698 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.427 -7.494 14.283 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.937 -6.429 15.590 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.496 -5.860 16.153 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.816 -8.801 15.995 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.287 -8.684 18.398 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.155 -7.716 17.424 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -6.450 -6.912 18.343 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.621 -8.990 17.664 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.877 -7.231 17.578 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.194 -8.247 16.152 1.00 0.00 H new ATOM 135 N GLY A 12 -8.225 -5.405 12.416 1.00 0.00 N ATOM 136 CA GLY A 12 -8.646 -4.156 11.807 1.00 0.00 C ATOM 137 C GLY A 12 -9.352 -4.366 10.483 1.00 0.00 C ATOM 138 O GLY A 12 -9.250 -3.538 9.579 1.00 0.00 O ATOM 0 H GLY A 12 -8.131 -6.187 11.768 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.311 -3.628 12.490 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.775 -3.518 11.654 1.00 0.00 H new ATOM 142 N ASN A 13 -10.070 -5.479 10.366 1.00 0.00 N ATOM 143 CA ASN A 13 -10.794 -5.796 9.141 1.00 0.00 C ATOM 144 C ASN A 13 -9.905 -5.599 7.917 1.00 0.00 C ATOM 145 O ASN A 13 -10.380 -5.229 6.844 1.00 0.00 O ATOM 146 CB ASN A 13 -12.045 -4.924 9.022 1.00 0.00 C ATOM 147 CG ASN A 13 -13.044 -5.192 10.131 1.00 0.00 C ATOM 148 OD1 ASN A 13 -13.401 -6.340 10.396 1.00 0.00 O ATOM 149 ND2 ASN A 13 -13.501 -4.130 10.785 1.00 0.00 N ATOM 0 H ASN A 13 -10.166 -6.176 11.105 1.00 0.00 H new ATOM 0 HA ASN A 13 -11.093 -6.843 9.187 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -11.756 -3.873 9.043 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -12.520 -5.104 8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -14.176 -4.248 11.541 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -13.177 -3.197 10.531 1.00 0.00 H new ATOM 156 N GLY A 14 -8.610 -5.850 8.086 1.00 0.00 N ATOM 157 CA GLY A 14 -7.675 -5.695 6.987 1.00 0.00 C ATOM 158 C GLY A 14 -6.903 -6.968 6.699 1.00 0.00 C ATOM 159 O GLY A 14 -7.457 -8.065 6.759 1.00 0.00 O ATOM 0 H GLY A 14 -8.192 -6.158 8.964 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -8.218 -5.393 6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -6.974 -4.894 7.220 1.00 0.00 H new ATOM 163 N ALA A 15 -5.621 -6.821 6.382 1.00 0.00 N ATOM 164 CA ALA A 15 -4.772 -7.968 6.083 1.00 0.00 C ATOM 165 C ALA A 15 -3.336 -7.721 6.534 1.00 0.00 C ATOM 166 O ALA A 15 -2.703 -6.751 6.117 1.00 0.00 O ATOM 167 CB ALA A 15 -4.813 -8.282 4.595 1.00 0.00 C ATOM 0 H ALA A 15 -5.147 -5.919 6.326 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.156 -8.826 6.635 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.175 -9.140 4.387 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.837 -8.511 4.300 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.457 -7.420 4.031 1.00 0.00 H new ATOM 173 N ASP A 16 -2.830 -8.603 7.388 1.00 0.00 N ATOM 174 CA ASP A 16 -1.468 -8.480 7.896 1.00 0.00 C ATOM 175 C ASP A 16 -0.472 -9.131 6.941 1.00 0.00 C ATOM 176 O ASP A 16 -0.319 -10.353 6.925 1.00 0.00 O ATOM 177 CB ASP A 16 -1.358 -9.118 9.281 1.00 0.00 C ATOM 178 CG ASP A 16 0.037 -8.999 9.864 1.00 0.00 C ATOM 179 OD1 ASP A 16 0.925 -9.766 9.438 1.00 0.00 O ATOM 180 OD2 ASP A 16 0.239 -8.140 10.748 1.00 0.00 O ATOM 0 H ASP A 16 -3.342 -9.411 7.743 1.00 0.00 H new ATOM 0 HA ASP A 16 -1.229 -7.419 7.974 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.072 -8.643 9.954 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.633 -10.171 9.216 1.00 0.00 H new ATOM 185 N LEU A 17 0.204 -8.308 6.147 1.00 0.00 N ATOM 186 CA LEU A 17 1.185 -8.803 5.188 1.00 0.00 C ATOM 187 C LEU A 17 2.603 -8.646 5.730 1.00 0.00 C ATOM 188 O LEU A 17 2.893 -7.756 6.530 1.00 0.00 O ATOM 189 CB LEU A 17 1.049 -8.059 3.859 1.00 0.00 C ATOM 190 CG LEU A 17 -0.375 -7.700 3.433 1.00 0.00 C ATOM 191 CD1 LEU A 17 -0.383 -6.405 2.635 1.00 0.00 C ATOM 192 CD2 LEU A 17 -0.991 -8.831 2.624 1.00 0.00 C ATOM 0 H LEU A 17 0.091 -7.294 6.148 1.00 0.00 H new ATOM 0 HA LEU A 17 0.994 -9.863 5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.631 -7.140 3.919 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.498 -8.670 3.076 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.976 -7.553 4.330 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.405 -6.165 2.340 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.017 -5.597 3.248 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.233 -6.523 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.004 -8.558 2.330 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.390 -9.010 1.733 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -1.021 -9.737 3.229 1.00 0.00 H new ATOM 204 N PRO A 18 3.508 -9.529 5.283 1.00 0.00 N ATOM 205 CA PRO A 18 4.911 -9.507 5.707 1.00 0.00 C ATOM 206 C PRO A 18 5.666 -8.304 5.153 1.00 0.00 C ATOM 207 O PRO A 18 6.704 -7.912 5.684 1.00 0.00 O ATOM 208 CB PRO A 18 5.477 -10.806 5.129 1.00 0.00 C ATOM 209 CG PRO A 18 4.603 -11.113 3.962 1.00 0.00 C ATOM 210 CD PRO A 18 3.232 -10.616 4.329 1.00 0.00 C ATOM 0 HA PRO A 18 5.008 -9.428 6.790 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.516 -10.684 4.824 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.453 -11.610 5.864 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.968 -10.621 3.061 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.588 -12.183 3.757 1.00 0.00 H new ATOM 0 HD2 PRO A 18 2.688 -10.256 3.456 1.00 0.00 H new ATOM 0 HD3 PRO A 18 2.627 -11.402 4.780 1.00 0.00 H new ATOM 218 N ASN A 19 5.137 -7.722 4.081 1.00 0.00 N ATOM 219 CA ASN A 19 5.761 -6.562 3.455 1.00 0.00 C ATOM 220 C ASN A 19 5.244 -5.266 4.071 1.00 0.00 C ATOM 221 O ASN A 19 5.975 -4.280 4.174 1.00 0.00 O ATOM 222 CB ASN A 19 5.495 -6.565 1.948 1.00 0.00 C ATOM 223 CG ASN A 19 4.110 -7.081 1.607 1.00 0.00 C ATOM 224 OD1 ASN A 19 3.140 -6.801 2.311 1.00 0.00 O ATOM 225 ND2 ASN A 19 4.013 -7.840 0.522 1.00 0.00 N ATOM 0 H ASN A 19 4.278 -8.035 3.628 1.00 0.00 H new ATOM 0 HA ASN A 19 6.835 -6.622 3.628 1.00 0.00 H new ATOM 0 HB2 ASN A 19 5.609 -5.553 1.560 1.00 0.00 H new ATOM 0 HB3 ASN A 19 6.243 -7.183 1.451 1.00 0.00 H new ATOM 0 HD21 ASN A 19 3.107 -8.217 0.242 1.00 0.00 H new ATOM 0 HD22 ASN A 19 4.844 -8.046 -0.032 1.00 0.00 H new ATOM 232 N TYR A 20 3.981 -5.275 4.480 1.00 0.00 N ATOM 233 CA TYR A 20 3.364 -4.100 5.085 1.00 0.00 C ATOM 234 C TYR A 20 2.000 -4.443 5.675 1.00 0.00 C ATOM 235 O TYR A 20 1.406 -5.468 5.339 1.00 0.00 O ATOM 236 CB TYR A 20 3.218 -2.984 4.049 1.00 0.00 C ATOM 237 CG TYR A 20 2.871 -3.485 2.665 1.00 0.00 C ATOM 238 CD1 TYR A 20 1.564 -3.819 2.333 1.00 0.00 C ATOM 239 CD2 TYR A 20 3.851 -3.625 1.689 1.00 0.00 C ATOM 240 CE1 TYR A 20 1.243 -4.278 1.070 1.00 0.00 C ATOM 241 CE2 TYR A 20 3.538 -4.082 0.424 1.00 0.00 C ATOM 242 CZ TYR A 20 2.233 -4.407 0.119 1.00 0.00 C ATOM 243 OH TYR A 20 1.918 -4.863 -1.141 1.00 0.00 O ATOM 0 H TYR A 20 3.363 -6.083 4.404 1.00 0.00 H new ATOM 0 HA TYR A 20 4.012 -3.756 5.891 1.00 0.00 H new ATOM 0 HB2 TYR A 20 2.444 -2.291 4.380 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.150 -2.421 4.000 1.00 0.00 H new ATOM 0 HD1 TYR A 20 0.786 -3.718 3.075 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.874 -3.372 1.924 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.222 -4.534 0.829 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.311 -4.184 -0.323 1.00 0.00 H new ATOM 0 HH TYR A 20 2.729 -4.894 -1.690 1.00 0.00 H new ATOM 253 N ARG A 21 1.510 -3.578 6.557 1.00 0.00 N ATOM 254 CA ARG A 21 0.216 -3.788 7.195 1.00 0.00 C ATOM 255 C ARG A 21 -0.737 -2.638 6.884 1.00 0.00 C ATOM 256 O ARG A 21 -0.382 -1.468 7.030 1.00 0.00 O ATOM 257 CB ARG A 21 0.387 -3.928 8.709 1.00 0.00 C ATOM 258 CG ARG A 21 1.141 -2.772 9.346 1.00 0.00 C ATOM 259 CD ARG A 21 1.096 -2.846 10.864 1.00 0.00 C ATOM 260 NE ARG A 21 2.017 -1.900 11.486 1.00 0.00 N ATOM 261 CZ ARG A 21 3.327 -2.102 11.580 1.00 0.00 C ATOM 262 NH1 ARG A 21 3.866 -3.212 11.093 1.00 0.00 N ATOM 263 NH2 ARG A 21 4.100 -1.194 12.160 1.00 0.00 N ATOM 0 H ARG A 21 1.989 -2.725 6.846 1.00 0.00 H new ATOM 0 HA ARG A 21 -0.212 -4.709 6.798 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.597 -4.008 9.171 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.916 -4.857 8.922 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.178 -2.784 9.011 1.00 0.00 H new ATOM 0 HG3 ARG A 21 0.710 -1.828 9.014 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.081 -2.643 11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 21 1.344 -3.858 11.185 1.00 0.00 H new ATOM 0 HE ARG A 21 1.634 -1.036 11.870 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.275 -3.912 10.645 1.00 0.00 H new ATOM 0 HH12 ARG A 21 4.872 -3.365 11.166 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.689 -0.339 12.535 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.105 -1.351 12.231 1.00 0.00 H new ATOM 277 N TRP A 22 -1.947 -2.979 6.455 1.00 0.00 N ATOM 278 CA TRP A 22 -2.951 -1.975 6.123 1.00 0.00 C ATOM 279 C TRP A 22 -4.331 -2.404 6.608 1.00 0.00 C ATOM 280 O TRP A 22 -4.709 -3.569 6.487 1.00 0.00 O ATOM 281 CB TRP A 22 -2.980 -1.733 4.613 1.00 0.00 C ATOM 282 CG TRP A 22 -3.510 -2.899 3.835 1.00 0.00 C ATOM 283 CD1 TRP A 22 -2.782 -3.804 3.116 1.00 0.00 C ATOM 284 CD2 TRP A 22 -4.882 -3.284 3.696 1.00 0.00 C ATOM 285 NE1 TRP A 22 -3.618 -4.728 2.539 1.00 0.00 N ATOM 286 CE2 TRP A 22 -4.911 -4.432 2.880 1.00 0.00 C ATOM 287 CE3 TRP A 22 -6.088 -2.773 4.183 1.00 0.00 C ATOM 288 CZ2 TRP A 22 -6.100 -5.074 2.541 1.00 0.00 C ATOM 289 CZ3 TRP A 22 -7.266 -3.411 3.845 1.00 0.00 C ATOM 290 CH2 TRP A 22 -7.266 -4.551 3.031 1.00 0.00 C ATOM 0 H TRP A 22 -2.256 -3.943 6.329 1.00 0.00 H new ATOM 0 HA TRP A 22 -2.682 -1.047 6.628 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -3.594 -0.857 4.404 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -1.971 -1.504 4.269 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -1.707 -3.794 3.016 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -3.324 -5.508 1.952 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -6.099 -1.895 4.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -6.102 -5.953 1.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -8.204 -3.024 4.215 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -8.204 -5.026 2.785 1.00 0.00 H new ATOM 301 N THR A 23 -5.082 -1.455 7.159 1.00 0.00 N ATOM 302 CA THR A 23 -6.420 -1.735 7.664 1.00 0.00 C ATOM 303 C THR A 23 -7.472 -0.932 6.908 1.00 0.00 C ATOM 304 O THR A 23 -7.141 -0.061 6.103 1.00 0.00 O ATOM 305 CB THR A 23 -6.532 -1.418 9.167 1.00 0.00 C ATOM 306 OG1 THR A 23 -6.246 -0.034 9.399 1.00 0.00 O ATOM 307 CG2 THR A 23 -5.573 -2.281 9.974 1.00 0.00 C ATOM 0 H THR A 23 -4.785 -0.485 7.267 1.00 0.00 H new ATOM 0 HA THR A 23 -6.599 -2.799 7.511 1.00 0.00 H new ATOM 0 HB THR A 23 -7.551 -1.636 9.487 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.321 0.159 10.357 1.00 0.00 H new ATOM 0 HG21 THR A 23 -5.669 -2.040 11.033 1.00 0.00 H new ATOM 0 HG22 THR A 23 -5.811 -3.333 9.818 1.00 0.00 H new ATOM 0 HG23 THR A 23 -4.550 -2.089 9.650 1.00 0.00 H new ATOM 315 N GLN A 24 -8.740 -1.229 7.172 1.00 0.00 N ATOM 316 CA GLN A 24 -9.841 -0.534 6.515 1.00 0.00 C ATOM 317 C GLN A 24 -11.078 -0.509 7.406 1.00 0.00 C ATOM 318 O GLN A 24 -11.409 -1.501 8.056 1.00 0.00 O ATOM 319 CB GLN A 24 -10.172 -1.204 5.181 1.00 0.00 C ATOM 320 CG GLN A 24 -10.897 -2.532 5.331 1.00 0.00 C ATOM 321 CD GLN A 24 -10.627 -3.478 4.178 1.00 0.00 C ATOM 322 OE1 GLN A 24 -10.161 -3.064 3.116 1.00 0.00 O ATOM 323 NE2 GLN A 24 -10.918 -4.758 4.380 1.00 0.00 N ATOM 0 H GLN A 24 -9.031 -1.946 7.836 1.00 0.00 H new ATOM 0 HA GLN A 24 -9.529 0.494 6.329 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.788 -0.528 4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.248 -1.365 4.625 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.591 -3.005 6.264 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.969 -2.350 5.403 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -11.303 -5.058 5.276 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.757 -5.441 3.640 1.00 0.00 H new ATOM 332 N THR A 25 -11.759 0.633 7.433 1.00 0.00 N ATOM 333 CA THR A 25 -12.959 0.788 8.246 1.00 0.00 C ATOM 334 C THR A 25 -14.057 1.510 7.473 1.00 0.00 C ATOM 335 O THR A 25 -13.899 1.817 6.290 1.00 0.00 O ATOM 336 CB THR A 25 -12.663 1.566 9.542 1.00 0.00 C ATOM 337 OG1 THR A 25 -12.307 2.917 9.232 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.537 0.906 10.324 1.00 0.00 C ATOM 0 H THR A 25 -11.500 1.464 6.901 1.00 0.00 H new ATOM 0 HA THR A 25 -13.299 -0.215 8.503 1.00 0.00 H new ATOM 0 HB THR A 25 -13.563 1.560 10.157 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.668 2.925 8.489 1.00 0.00 H new ATOM 0 HG21 THR A 25 -11.346 1.473 11.235 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.823 -0.113 10.584 1.00 0.00 H new ATOM 0 HG23 THR A 25 -10.634 0.885 9.714 1.00 0.00 H new ATOM 346 N LEU A 26 -15.169 1.780 8.147 1.00 0.00 N ATOM 347 CA LEU A 26 -16.294 2.468 7.524 1.00 0.00 C ATOM 348 C LEU A 26 -16.078 3.978 7.526 1.00 0.00 C ATOM 349 O LEU A 26 -17.032 4.752 7.455 1.00 0.00 O ATOM 350 CB LEU A 26 -17.594 2.126 8.253 1.00 0.00 C ATOM 351 CG LEU A 26 -18.260 0.808 7.856 1.00 0.00 C ATOM 352 CD1 LEU A 26 -19.385 0.467 8.820 1.00 0.00 C ATOM 353 CD2 LEU A 26 -18.782 0.883 6.429 1.00 0.00 C ATOM 0 H LEU A 26 -15.316 1.533 9.126 1.00 0.00 H new ATOM 0 HA LEU A 26 -16.366 2.131 6.490 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -17.390 2.099 9.323 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.305 2.935 8.084 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.513 0.016 7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -19.847 -0.474 8.522 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -18.983 0.370 9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -20.133 1.260 8.802 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -19.253 -0.064 6.164 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -19.514 1.687 6.351 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.954 1.080 5.748 1.00 0.00 H new ATOM 365 N ALA A 27 -14.817 4.390 7.606 1.00 0.00 N ATOM 366 CA ALA A 27 -14.476 5.807 7.614 1.00 0.00 C ATOM 367 C ALA A 27 -13.335 6.102 6.646 1.00 0.00 C ATOM 368 O ALA A 27 -13.408 7.041 5.854 1.00 0.00 O ATOM 369 CB ALA A 27 -14.106 6.254 9.020 1.00 0.00 C ATOM 0 H ALA A 27 -14.015 3.763 7.666 1.00 0.00 H new ATOM 0 HA ALA A 27 -15.351 6.367 7.286 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -13.854 7.314 9.010 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -14.951 6.088 9.689 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.248 5.680 9.370 1.00 0.00 H new ATOM 375 N GLU A 28 -12.282 5.293 6.715 1.00 0.00 N ATOM 376 CA GLU A 28 -11.125 5.470 5.845 1.00 0.00 C ATOM 377 C GLU A 28 -10.213 4.247 5.898 1.00 0.00 C ATOM 378 O GLU A 28 -10.431 3.330 6.690 1.00 0.00 O ATOM 379 CB GLU A 28 -10.342 6.721 6.248 1.00 0.00 C ATOM 380 CG GLU A 28 -9.779 6.659 7.658 1.00 0.00 C ATOM 381 CD GLU A 28 -10.776 7.118 8.705 1.00 0.00 C ATOM 382 OE1 GLU A 28 -11.369 8.202 8.524 1.00 0.00 O ATOM 383 OE2 GLU A 28 -10.962 6.394 9.705 1.00 0.00 O ATOM 0 H GLU A 28 -12.206 4.509 7.364 1.00 0.00 H new ATOM 0 HA GLU A 28 -11.486 5.590 4.823 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -9.522 6.869 5.545 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -10.994 7.590 6.164 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.472 5.637 7.878 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.885 7.280 7.716 1.00 0.00 H new ATOM 390 N LEU A 29 -9.192 4.242 5.048 1.00 0.00 N ATOM 391 CA LEU A 29 -8.246 3.132 4.997 1.00 0.00 C ATOM 392 C LEU A 29 -6.877 3.559 5.515 1.00 0.00 C ATOM 393 O LEU A 29 -6.380 4.633 5.175 1.00 0.00 O ATOM 394 CB LEU A 29 -8.121 2.609 3.564 1.00 0.00 C ATOM 395 CG LEU A 29 -7.795 1.123 3.419 1.00 0.00 C ATOM 396 CD1 LEU A 29 -8.401 0.566 2.140 1.00 0.00 C ATOM 397 CD2 LEU A 29 -6.289 0.903 3.437 1.00 0.00 C ATOM 0 H LEU A 29 -8.998 4.993 4.385 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.624 2.335 5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.058 2.808 3.043 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.346 3.182 3.056 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.230 0.591 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -8.158 -0.493 2.054 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.484 0.689 2.167 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -7.996 1.102 1.282 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.075 -0.161 3.333 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.832 1.448 2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -5.880 1.264 4.380 1.00 0.00 H new ATOM 409 N ASP A 30 -6.271 2.711 6.339 1.00 0.00 N ATOM 410 CA ASP A 30 -4.957 2.999 6.903 1.00 0.00 C ATOM 411 C ASP A 30 -3.905 2.048 6.341 1.00 0.00 C ATOM 412 O ASP A 30 -4.133 0.842 6.241 1.00 0.00 O ATOM 413 CB ASP A 30 -4.998 2.891 8.428 1.00 0.00 C ATOM 414 CG ASP A 30 -5.734 4.051 9.071 1.00 0.00 C ATOM 415 OD1 ASP A 30 -5.324 5.210 8.849 1.00 0.00 O ATOM 416 OD2 ASP A 30 -6.719 3.799 9.795 1.00 0.00 O ATOM 0 H ASP A 30 -6.669 1.818 6.631 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.685 4.018 6.626 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.482 1.956 8.710 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.979 2.852 8.814 1.00 0.00 H new ATOM 421 N LEU A 31 -2.753 2.598 5.975 1.00 0.00 N ATOM 422 CA LEU A 31 -1.665 1.799 5.423 1.00 0.00 C ATOM 423 C LEU A 31 -0.336 2.160 6.079 1.00 0.00 C ATOM 424 O LEU A 31 -0.067 3.329 6.356 1.00 0.00 O ATOM 425 CB LEU A 31 -1.572 2.006 3.910 1.00 0.00 C ATOM 426 CG LEU A 31 -0.201 1.753 3.281 1.00 0.00 C ATOM 427 CD1 LEU A 31 0.181 0.287 3.406 1.00 0.00 C ATOM 428 CD2 LEU A 31 -0.196 2.185 1.822 1.00 0.00 C ATOM 0 H LEU A 31 -2.548 3.594 6.050 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.877 0.750 5.629 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.297 1.350 3.428 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.870 3.030 3.685 1.00 0.00 H new ATOM 0 HG LEU A 31 0.539 2.347 3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.159 0.126 2.953 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.219 0.009 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.561 -0.327 2.895 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.787 1.998 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.947 1.618 1.272 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.424 3.249 1.757 1.00 0.00 H new ATOM 440 N ALA A 32 0.492 1.150 6.323 1.00 0.00 N ATOM 441 CA ALA A 32 1.794 1.361 6.942 1.00 0.00 C ATOM 442 C ALA A 32 2.849 0.449 6.326 1.00 0.00 C ATOM 443 O ALA A 32 2.801 -0.770 6.486 1.00 0.00 O ATOM 444 CB ALA A 32 1.708 1.132 8.444 1.00 0.00 C ATOM 0 H ALA A 32 0.284 0.176 6.101 1.00 0.00 H new ATOM 0 HA ALA A 32 2.092 2.393 6.759 1.00 0.00 H new ATOM 0 HB1 ALA A 32 2.688 1.293 8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 32 0.991 1.829 8.878 1.00 0.00 H new ATOM 0 HB3 ALA A 32 1.383 0.110 8.638 1.00 0.00 H new ATOM 450 N VAL A 33 3.803 1.048 5.620 1.00 0.00 N ATOM 451 CA VAL A 33 4.871 0.290 4.979 1.00 0.00 C ATOM 452 C VAL A 33 6.168 0.389 5.775 1.00 0.00 C ATOM 453 O VAL A 33 6.914 1.363 5.674 1.00 0.00 O ATOM 454 CB VAL A 33 5.124 0.781 3.542 1.00 0.00 C ATOM 455 CG1 VAL A 33 6.292 0.031 2.919 1.00 0.00 C ATOM 456 CG2 VAL A 33 3.869 0.626 2.697 1.00 0.00 C ATOM 0 H VAL A 33 3.858 2.057 5.478 1.00 0.00 H new ATOM 0 HA VAL A 33 4.546 -0.750 4.947 1.00 0.00 H new ATOM 0 HB VAL A 33 5.381 1.840 3.579 1.00 0.00 H new ATOM 0 HG11 VAL A 33 6.456 0.392 1.903 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.190 0.199 3.513 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.068 -1.035 2.894 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.066 0.978 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.579 -0.424 2.666 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.061 1.213 3.134 1.00 0.00 H new ATOM 466 N PRO A 34 6.446 -0.644 6.585 1.00 0.00 N ATOM 467 CA PRO A 34 7.654 -0.698 7.413 1.00 0.00 C ATOM 468 C PRO A 34 8.919 -0.883 6.581 1.00 0.00 C ATOM 469 O PRO A 34 9.009 -1.803 5.767 1.00 0.00 O ATOM 470 CB PRO A 34 7.418 -1.918 8.306 1.00 0.00 C ATOM 471 CG PRO A 34 6.480 -2.779 7.532 1.00 0.00 C ATOM 472 CD PRO A 34 5.601 -1.838 6.754 1.00 0.00 C ATOM 0 HA PRO A 34 7.811 0.228 7.966 1.00 0.00 H new ATOM 0 HB2 PRO A 34 8.351 -2.440 8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 34 6.990 -1.629 9.266 1.00 0.00 H new ATOM 0 HG2 PRO A 34 7.024 -3.447 6.864 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.887 -3.407 8.197 1.00 0.00 H new ATOM 0 HD2 PRO A 34 5.309 -2.263 5.794 1.00 0.00 H new ATOM 0 HD3 PRO A 34 4.682 -1.607 7.294 1.00 0.00 H new ATOM 480 N PHE A 35 9.894 -0.005 6.791 1.00 0.00 N ATOM 481 CA PHE A 35 11.154 -0.072 6.060 1.00 0.00 C ATOM 482 C PHE A 35 12.304 -0.440 6.992 1.00 0.00 C ATOM 483 O PHE A 35 12.262 -0.157 8.190 1.00 0.00 O ATOM 484 CB PHE A 35 11.443 1.266 5.377 1.00 0.00 C ATOM 485 CG PHE A 35 10.593 1.516 4.164 1.00 0.00 C ATOM 486 CD1 PHE A 35 10.658 0.670 3.069 1.00 0.00 C ATOM 487 CD2 PHE A 35 9.729 2.598 4.119 1.00 0.00 C ATOM 488 CE1 PHE A 35 9.878 0.899 1.952 1.00 0.00 C ATOM 489 CE2 PHE A 35 8.945 2.832 3.005 1.00 0.00 C ATOM 490 CZ PHE A 35 9.019 1.980 1.920 1.00 0.00 C ATOM 0 H PHE A 35 9.836 0.761 7.462 1.00 0.00 H new ATOM 0 HA PHE A 35 11.064 -0.848 5.300 1.00 0.00 H new ATOM 0 HB2 PHE A 35 11.285 2.072 6.094 1.00 0.00 H new ATOM 0 HB3 PHE A 35 12.493 1.298 5.088 1.00 0.00 H new ATOM 0 HD1 PHE A 35 11.326 -0.178 3.089 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.667 3.267 4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 35 9.940 0.233 1.104 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.276 3.679 2.983 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.406 2.159 1.049 1.00 0.00 H new ATOM 500 N ARG A 36 13.331 -1.072 6.434 1.00 0.00 N ATOM 501 CA ARG A 36 14.493 -1.481 7.214 1.00 0.00 C ATOM 502 C ARG A 36 15.576 -0.407 7.180 1.00 0.00 C ATOM 503 O ARG A 36 16.750 -0.701 6.955 1.00 0.00 O ATOM 504 CB ARG A 36 15.052 -2.802 6.683 1.00 0.00 C ATOM 505 CG ARG A 36 15.605 -2.705 5.270 1.00 0.00 C ATOM 506 CD ARG A 36 16.640 -3.785 5.002 1.00 0.00 C ATOM 507 NE ARG A 36 16.084 -5.127 5.154 1.00 0.00 N ATOM 508 CZ ARG A 36 16.822 -6.231 5.175 1.00 0.00 C ATOM 509 NH1 ARG A 36 18.140 -6.153 5.055 1.00 0.00 N ATOM 510 NH2 ARG A 36 16.242 -7.416 5.317 1.00 0.00 N ATOM 0 H ARG A 36 13.382 -1.312 5.444 1.00 0.00 H new ATOM 0 HA ARG A 36 14.175 -1.619 8.247 1.00 0.00 H new ATOM 0 HB2 ARG A 36 15.842 -3.147 7.350 1.00 0.00 H new ATOM 0 HB3 ARG A 36 14.264 -3.555 6.705 1.00 0.00 H new ATOM 0 HG2 ARG A 36 14.790 -2.795 4.552 1.00 0.00 H new ATOM 0 HG3 ARG A 36 16.055 -1.723 5.121 1.00 0.00 H new ATOM 0 HD2 ARG A 36 17.033 -3.668 3.992 1.00 0.00 H new ATOM 0 HD3 ARG A 36 17.479 -3.661 5.687 1.00 0.00 H new ATOM 0 HE ARG A 36 15.073 -5.222 5.249 1.00 0.00 H new ATOM 0 HH11 ARG A 36 18.589 -5.244 4.946 1.00 0.00 H new ATOM 0 HH12 ARG A 36 18.705 -7.002 5.071 1.00 0.00 H new ATOM 0 HH21 ARG A 36 15.228 -7.480 5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 36 16.810 -8.263 5.333 1.00 0.00 H new ATOM 524 N VAL A 37 15.173 0.840 7.403 1.00 0.00 N ATOM 525 CA VAL A 37 16.109 1.958 7.398 1.00 0.00 C ATOM 526 C VAL A 37 16.681 2.202 8.790 1.00 0.00 C ATOM 527 O VAL A 37 16.006 1.987 9.797 1.00 0.00 O ATOM 528 CB VAL A 37 15.437 3.251 6.898 1.00 0.00 C ATOM 529 CG1 VAL A 37 14.847 3.043 5.511 1.00 0.00 C ATOM 530 CG2 VAL A 37 14.367 3.708 7.878 1.00 0.00 C ATOM 0 H VAL A 37 14.205 1.101 7.589 1.00 0.00 H new ATOM 0 HA VAL A 37 16.917 1.691 6.717 1.00 0.00 H new ATOM 0 HB VAL A 37 16.194 4.032 6.832 1.00 0.00 H new ATOM 0 HG11 VAL A 37 14.376 3.966 5.174 1.00 0.00 H new ATOM 0 HG12 VAL A 37 15.640 2.765 4.816 1.00 0.00 H new ATOM 0 HG13 VAL A 37 14.102 2.248 5.548 1.00 0.00 H new ATOM 0 HG21 VAL A 37 13.903 4.623 7.509 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.609 2.931 7.978 1.00 0.00 H new ATOM 0 HG23 VAL A 37 14.822 3.898 8.850 1.00 0.00 H new ATOM 540 N SER A 38 17.930 2.653 8.840 1.00 0.00 N ATOM 541 CA SER A 38 18.596 2.924 10.109 1.00 0.00 C ATOM 542 C SER A 38 18.742 4.425 10.337 1.00 0.00 C ATOM 543 O SER A 38 19.559 4.866 11.145 1.00 0.00 O ATOM 544 CB SER A 38 19.971 2.256 10.141 1.00 0.00 C ATOM 545 OG SER A 38 20.335 1.899 11.463 1.00 0.00 O ATOM 0 H SER A 38 18.502 2.839 8.016 1.00 0.00 H new ATOM 0 HA SER A 38 17.981 2.511 10.908 1.00 0.00 H new ATOM 0 HB2 SER A 38 19.961 1.367 9.511 1.00 0.00 H new ATOM 0 HB3 SER A 38 20.717 2.933 9.725 1.00 0.00 H new ATOM 0 HG SER A 38 21.217 1.472 11.456 1.00 0.00 H new ATOM 551 N PHE A 39 17.943 5.207 9.617 1.00 0.00 N ATOM 552 CA PHE A 39 17.983 6.659 9.739 1.00 0.00 C ATOM 553 C PHE A 39 16.590 7.258 9.563 1.00 0.00 C ATOM 554 O PHE A 39 15.603 6.534 9.437 1.00 0.00 O ATOM 555 CB PHE A 39 18.940 7.253 8.703 1.00 0.00 C ATOM 556 CG PHE A 39 18.586 6.899 7.287 1.00 0.00 C ATOM 557 CD1 PHE A 39 18.878 5.643 6.780 1.00 0.00 C ATOM 558 CD2 PHE A 39 17.961 7.821 6.464 1.00 0.00 C ATOM 559 CE1 PHE A 39 18.554 5.315 5.477 1.00 0.00 C ATOM 560 CE2 PHE A 39 17.634 7.499 5.160 1.00 0.00 C ATOM 561 CZ PHE A 39 17.930 6.243 4.666 1.00 0.00 C ATOM 0 H PHE A 39 17.261 4.859 8.944 1.00 0.00 H new ATOM 0 HA PHE A 39 18.342 6.905 10.738 1.00 0.00 H new ATOM 0 HB2 PHE A 39 18.947 8.338 8.807 1.00 0.00 H new ATOM 0 HB3 PHE A 39 19.952 6.906 8.914 1.00 0.00 H new ATOM 0 HD1 PHE A 39 19.364 4.912 7.410 1.00 0.00 H new ATOM 0 HD2 PHE A 39 17.726 8.804 6.846 1.00 0.00 H new ATOM 0 HE1 PHE A 39 18.789 4.333 5.093 1.00 0.00 H new ATOM 0 HE2 PHE A 39 17.148 8.228 4.528 1.00 0.00 H new ATOM 0 HZ PHE A 39 17.674 5.987 3.648 1.00 0.00 H new ATOM 571 N ARG A 40 16.520 8.585 9.555 1.00 0.00 N ATOM 572 CA ARG A 40 15.250 9.282 9.397 1.00 0.00 C ATOM 573 C ARG A 40 14.922 9.487 7.920 1.00 0.00 C ATOM 574 O ARG A 40 15.749 9.981 7.153 1.00 0.00 O ATOM 575 CB ARG A 40 15.292 10.634 10.112 1.00 0.00 C ATOM 576 CG ARG A 40 13.920 11.165 10.493 1.00 0.00 C ATOM 577 CD ARG A 40 13.474 10.637 11.848 1.00 0.00 C ATOM 578 NE ARG A 40 14.237 11.229 12.944 1.00 0.00 N ATOM 579 CZ ARG A 40 13.787 11.312 14.191 1.00 0.00 C ATOM 580 NH1 ARG A 40 12.586 10.843 14.499 1.00 0.00 N ATOM 581 NH2 ARG A 40 14.540 11.865 15.133 1.00 0.00 N ATOM 0 H ARG A 40 17.328 9.199 9.656 1.00 0.00 H new ATOM 0 HA ARG A 40 14.469 8.666 9.844 1.00 0.00 H new ATOM 0 HB2 ARG A 40 15.899 10.540 11.013 1.00 0.00 H new ATOM 0 HB3 ARG A 40 15.787 11.361 9.468 1.00 0.00 H new ATOM 0 HG2 ARG A 40 13.944 12.254 10.516 1.00 0.00 H new ATOM 0 HG3 ARG A 40 13.194 10.878 9.733 1.00 0.00 H new ATOM 0 HD2 ARG A 40 12.414 10.849 11.988 1.00 0.00 H new ATOM 0 HD3 ARG A 40 13.589 9.553 11.870 1.00 0.00 H new ATOM 0 HE ARG A 40 15.166 11.599 12.741 1.00 0.00 H new ATOM 0 HH11 ARG A 40 12.004 10.417 13.777 1.00 0.00 H new ATOM 0 HH12 ARG A 40 12.243 10.908 15.458 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.465 12.227 14.900 1.00 0.00 H new ATOM 0 HH22 ARG A 40 14.194 11.929 16.090 1.00 0.00 H new ATOM 595 N LEU A 41 13.712 9.103 7.530 1.00 0.00 N ATOM 596 CA LEU A 41 13.275 9.243 6.145 1.00 0.00 C ATOM 597 C LEU A 41 12.604 10.595 5.920 1.00 0.00 C ATOM 598 O LEU A 41 11.717 10.993 6.676 1.00 0.00 O ATOM 599 CB LEU A 41 12.310 8.115 5.777 1.00 0.00 C ATOM 600 CG LEU A 41 12.908 6.708 5.730 1.00 0.00 C ATOM 601 CD1 LEU A 41 11.837 5.683 5.394 1.00 0.00 C ATOM 602 CD2 LEU A 41 14.045 6.646 4.720 1.00 0.00 C ATOM 0 H LEU A 41 13.016 8.692 8.153 1.00 0.00 H new ATOM 0 HA LEU A 41 14.155 9.183 5.505 1.00 0.00 H new ATOM 0 HB2 LEU A 41 11.491 8.116 6.496 1.00 0.00 H new ATOM 0 HB3 LEU A 41 11.878 8.337 4.801 1.00 0.00 H new ATOM 0 HG LEU A 41 13.310 6.472 6.715 1.00 0.00 H new ATOM 0 HD11 LEU A 41 12.282 4.688 5.365 1.00 0.00 H new ATOM 0 HD12 LEU A 41 11.057 5.710 6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 41 11.404 5.915 4.421 1.00 0.00 H new ATOM 0 HD21 LEU A 41 14.459 5.638 4.700 1.00 0.00 H new ATOM 0 HD22 LEU A 41 13.667 6.903 3.730 1.00 0.00 H new ATOM 0 HD23 LEU A 41 14.824 7.352 5.006 1.00 0.00 H new ATOM 614 N LYS A 42 13.031 11.295 4.875 1.00 0.00 N ATOM 615 CA LYS A 42 12.470 12.600 4.547 1.00 0.00 C ATOM 616 C LYS A 42 11.457 12.488 3.413 1.00 0.00 C ATOM 617 O LYS A 42 11.624 11.685 2.495 1.00 0.00 O ATOM 618 CB LYS A 42 13.585 13.573 4.155 1.00 0.00 C ATOM 619 CG LYS A 42 14.679 13.698 5.201 1.00 0.00 C ATOM 620 CD LYS A 42 14.161 14.346 6.475 1.00 0.00 C ATOM 621 CE LYS A 42 13.796 15.805 6.249 1.00 0.00 C ATOM 622 NZ LYS A 42 13.547 16.519 7.532 1.00 0.00 N ATOM 0 H LYS A 42 13.765 10.980 4.240 1.00 0.00 H new ATOM 0 HA LYS A 42 11.958 12.980 5.431 1.00 0.00 H new ATOM 0 HB2 LYS A 42 14.029 13.244 3.215 1.00 0.00 H new ATOM 0 HB3 LYS A 42 13.151 14.557 3.976 1.00 0.00 H new ATOM 0 HG2 LYS A 42 15.079 12.710 5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 42 15.502 14.289 4.799 1.00 0.00 H new ATOM 0 HD2 LYS A 42 13.286 13.802 6.832 1.00 0.00 H new ATOM 0 HD3 LYS A 42 14.920 14.276 7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 42 14.601 16.301 5.707 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.906 15.864 5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 13.301 17.510 7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 12.762 16.061 8.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.404 16.485 8.120 1.00 0.00 H new ATOM 636 N GLY A 43 10.406 13.299 3.481 1.00 0.00 N ATOM 637 CA GLY A 43 9.382 13.275 2.453 1.00 0.00 C ATOM 638 C GLY A 43 9.961 13.116 1.061 1.00 0.00 C ATOM 639 O GLY A 43 9.381 12.439 0.212 1.00 0.00 O ATOM 0 H GLY A 43 10.245 13.973 4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.691 12.455 2.652 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.803 14.198 2.499 1.00 0.00 H new ATOM 643 N LYS A 44 11.109 13.743 0.825 1.00 0.00 N ATOM 644 CA LYS A 44 11.768 13.669 -0.473 1.00 0.00 C ATOM 645 C LYS A 44 12.437 12.312 -0.667 1.00 0.00 C ATOM 646 O LYS A 44 12.430 11.757 -1.766 1.00 0.00 O ATOM 647 CB LYS A 44 12.807 14.785 -0.605 1.00 0.00 C ATOM 648 CG LYS A 44 13.915 14.711 0.431 1.00 0.00 C ATOM 649 CD LYS A 44 14.761 15.973 0.435 1.00 0.00 C ATOM 650 CE LYS A 44 16.130 15.725 1.049 1.00 0.00 C ATOM 651 NZ LYS A 44 16.036 15.399 2.499 1.00 0.00 N ATOM 0 H LYS A 44 11.602 14.308 1.516 1.00 0.00 H new ATOM 0 HA LYS A 44 11.009 13.794 -1.245 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.249 14.743 -1.601 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.305 15.749 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 44 13.481 14.560 1.419 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.549 13.848 0.226 1.00 0.00 H new ATOM 0 HD2 LYS A 44 14.879 16.336 -0.586 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.247 16.755 0.994 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.621 14.906 0.524 1.00 0.00 H new ATOM 0 HE3 LYS A 44 16.754 16.609 0.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.951 15.584 2.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.303 15.989 2.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.788 14.396 2.614 1.00 0.00 H new ATOM 665 N ASP A 45 13.014 11.783 0.406 1.00 0.00 N ATOM 666 CA ASP A 45 13.685 10.490 0.354 1.00 0.00 C ATOM 667 C ASP A 45 12.731 9.401 -0.126 1.00 0.00 C ATOM 668 O ASP A 45 13.108 8.533 -0.914 1.00 0.00 O ATOM 669 CB ASP A 45 14.244 10.125 1.731 1.00 0.00 C ATOM 670 CG ASP A 45 15.366 11.048 2.163 1.00 0.00 C ATOM 671 OD1 ASP A 45 15.345 12.234 1.770 1.00 0.00 O ATOM 672 OD2 ASP A 45 16.266 10.585 2.895 1.00 0.00 O ATOM 0 H ASP A 45 13.030 12.230 1.323 1.00 0.00 H new ATOM 0 HA ASP A 45 14.509 10.565 -0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.442 10.164 2.468 1.00 0.00 H new ATOM 0 HB3 ASP A 45 14.609 9.098 1.711 1.00 0.00 H new ATOM 677 N VAL A 46 11.493 9.452 0.356 1.00 0.00 N ATOM 678 CA VAL A 46 10.484 8.470 -0.024 1.00 0.00 C ATOM 679 C VAL A 46 9.673 8.950 -1.222 1.00 0.00 C ATOM 680 O VAL A 46 9.739 10.120 -1.601 1.00 0.00 O ATOM 681 CB VAL A 46 9.526 8.170 1.144 1.00 0.00 C ATOM 682 CG1 VAL A 46 10.284 7.566 2.316 1.00 0.00 C ATOM 683 CG2 VAL A 46 8.791 9.433 1.568 1.00 0.00 C ATOM 0 H VAL A 46 11.165 10.163 1.010 1.00 0.00 H new ATOM 0 HA VAL A 46 11.016 7.557 -0.292 1.00 0.00 H new ATOM 0 HB VAL A 46 8.787 7.443 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 46 9.590 7.361 3.131 1.00 0.00 H new ATOM 0 HG12 VAL A 46 10.759 6.637 2.002 1.00 0.00 H new ATOM 0 HG13 VAL A 46 11.047 8.267 2.656 1.00 0.00 H new ATOM 0 HG21 VAL A 46 8.118 9.203 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 46 9.513 10.185 1.887 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.214 9.818 0.727 1.00 0.00 H new ATOM 693 N VAL A 47 8.908 8.040 -1.815 1.00 0.00 N ATOM 694 CA VAL A 47 8.082 8.370 -2.970 1.00 0.00 C ATOM 695 C VAL A 47 6.693 7.754 -2.847 1.00 0.00 C ATOM 696 O VAL A 47 6.534 6.536 -2.917 1.00 0.00 O ATOM 697 CB VAL A 47 8.731 7.888 -4.281 1.00 0.00 C ATOM 698 CG1 VAL A 47 7.802 8.135 -5.459 1.00 0.00 C ATOM 699 CG2 VAL A 47 10.071 8.574 -4.495 1.00 0.00 C ATOM 0 H VAL A 47 8.843 7.067 -1.514 1.00 0.00 H new ATOM 0 HA VAL A 47 7.994 9.456 -2.995 1.00 0.00 H new ATOM 0 HB VAL A 47 8.906 6.815 -4.206 1.00 0.00 H new ATOM 0 HG11 VAL A 47 8.278 7.788 -6.376 1.00 0.00 H new ATOM 0 HG12 VAL A 47 6.869 7.593 -5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 47 7.593 9.202 -5.540 1.00 0.00 H new ATOM 0 HG21 VAL A 47 10.516 8.222 -5.426 1.00 0.00 H new ATOM 0 HG22 VAL A 47 9.923 9.653 -4.549 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.736 8.340 -3.664 1.00 0.00 H new ATOM 709 N VAL A 48 5.688 8.605 -2.662 1.00 0.00 N ATOM 710 CA VAL A 48 4.311 8.145 -2.531 1.00 0.00 C ATOM 711 C VAL A 48 3.385 8.907 -3.472 1.00 0.00 C ATOM 712 O VAL A 48 3.258 10.128 -3.381 1.00 0.00 O ATOM 713 CB VAL A 48 3.801 8.305 -1.086 1.00 0.00 C ATOM 714 CG1 VAL A 48 2.325 7.951 -0.998 1.00 0.00 C ATOM 715 CG2 VAL A 48 4.621 7.447 -0.135 1.00 0.00 C ATOM 0 H VAL A 48 5.802 9.617 -2.600 1.00 0.00 H new ATOM 0 HA VAL A 48 4.304 7.088 -2.796 1.00 0.00 H new ATOM 0 HB VAL A 48 3.917 9.348 -0.791 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.983 8.070 0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 48 1.753 8.612 -1.650 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.179 6.917 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.248 7.572 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.538 6.400 -0.426 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.666 7.754 -0.178 1.00 0.00 H new ATOM 725 N ASP A 49 2.738 8.178 -4.375 1.00 0.00 N ATOM 726 CA ASP A 49 1.822 8.785 -5.333 1.00 0.00 C ATOM 727 C ASP A 49 0.376 8.419 -5.009 1.00 0.00 C ATOM 728 O ASP A 49 -0.038 7.273 -5.184 1.00 0.00 O ATOM 729 CB ASP A 49 2.167 8.339 -6.755 1.00 0.00 C ATOM 730 CG ASP A 49 1.275 8.985 -7.797 1.00 0.00 C ATOM 731 OD1 ASP A 49 0.197 8.423 -8.086 1.00 0.00 O ATOM 732 OD2 ASP A 49 1.654 10.052 -8.323 1.00 0.00 O ATOM 0 H ASP A 49 2.831 7.166 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 49 1.929 9.868 -5.264 1.00 0.00 H new ATOM 0 HB2 ASP A 49 3.207 8.586 -6.968 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.076 7.255 -6.825 1.00 0.00 H new ATOM 737 N ILE A 50 -0.385 9.400 -4.536 1.00 0.00 N ATOM 738 CA ILE A 50 -1.783 9.181 -4.187 1.00 0.00 C ATOM 739 C ILE A 50 -2.709 9.684 -5.289 1.00 0.00 C ATOM 740 O ILE A 50 -2.727 10.874 -5.602 1.00 0.00 O ATOM 741 CB ILE A 50 -2.149 9.880 -2.864 1.00 0.00 C ATOM 742 CG1 ILE A 50 -1.261 9.368 -1.729 1.00 0.00 C ATOM 743 CG2 ILE A 50 -3.618 9.656 -2.537 1.00 0.00 C ATOM 744 CD1 ILE A 50 -1.384 10.175 -0.455 1.00 0.00 C ATOM 0 H ILE A 50 -0.057 10.354 -4.386 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.915 8.106 -4.068 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.980 10.951 -2.976 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.517 8.330 -1.518 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.222 9.379 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.862 10.156 -1.600 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.235 10.064 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.810 8.588 -2.440 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.727 9.755 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.099 11.209 -0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -2.415 10.143 -0.102 1.00 0.00 H new ATOM 756 N GLN A 51 -3.479 8.770 -5.871 1.00 0.00 N ATOM 757 CA GLN A 51 -4.409 9.122 -6.937 1.00 0.00 C ATOM 758 C GLN A 51 -5.835 8.728 -6.567 1.00 0.00 C ATOM 759 O GLN A 51 -6.065 8.082 -5.545 1.00 0.00 O ATOM 760 CB GLN A 51 -4.001 8.440 -8.244 1.00 0.00 C ATOM 761 CG GLN A 51 -2.962 9.217 -9.037 1.00 0.00 C ATOM 762 CD GLN A 51 -3.297 10.691 -9.151 1.00 0.00 C ATOM 763 OE1 GLN A 51 -2.679 11.532 -8.498 1.00 0.00 O ATOM 764 NE2 GLN A 51 -4.280 11.012 -9.985 1.00 0.00 N ATOM 0 H GLN A 51 -3.477 7.781 -5.622 1.00 0.00 H new ATOM 0 HA GLN A 51 -4.374 10.203 -7.073 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.608 7.449 -8.019 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.887 8.299 -8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.988 9.105 -8.560 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.878 8.789 -10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.765 10.282 -10.506 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -4.549 11.989 -10.104 1.00 0.00 H new ATOM 773 N ARG A 52 -6.789 9.121 -7.405 1.00 0.00 N ATOM 774 CA ARG A 52 -8.193 8.810 -7.165 1.00 0.00 C ATOM 775 C ARG A 52 -8.396 7.306 -7.004 1.00 0.00 C ATOM 776 O ARG A 52 -8.934 6.848 -5.996 1.00 0.00 O ATOM 777 CB ARG A 52 -9.056 9.332 -8.315 1.00 0.00 C ATOM 778 CG ARG A 52 -10.528 9.464 -7.960 1.00 0.00 C ATOM 779 CD ARG A 52 -10.750 10.513 -6.882 1.00 0.00 C ATOM 780 NE ARG A 52 -12.091 11.088 -6.945 1.00 0.00 N ATOM 781 CZ ARG A 52 -12.420 12.101 -7.738 1.00 0.00 C ATOM 782 NH1 ARG A 52 -11.510 12.649 -8.532 1.00 0.00 N ATOM 783 NH2 ARG A 52 -13.662 12.569 -7.739 1.00 0.00 N ATOM 0 H ARG A 52 -6.615 9.655 -8.256 1.00 0.00 H new ATOM 0 HA ARG A 52 -8.496 9.301 -6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -8.678 10.305 -8.629 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.955 8.660 -9.168 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -11.096 9.731 -8.851 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.908 8.502 -7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -10.594 10.063 -5.901 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.010 11.306 -6.990 1.00 0.00 H new ATOM 0 HE ARG A 52 -12.815 10.689 -6.347 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -10.554 12.292 -8.535 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -11.766 13.427 -9.140 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -14.365 12.150 -7.130 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -13.913 13.347 -8.349 1.00 0.00 H new ATOM 797 N ARG A 53 -7.963 6.545 -8.003 1.00 0.00 N ATOM 798 CA ARG A 53 -8.099 5.094 -7.973 1.00 0.00 C ATOM 799 C ARG A 53 -6.746 4.417 -8.166 1.00 0.00 C ATOM 800 O ARG A 53 -6.642 3.397 -8.849 1.00 0.00 O ATOM 801 CB ARG A 53 -9.074 4.629 -9.057 1.00 0.00 C ATOM 802 CG ARG A 53 -9.837 3.367 -8.690 1.00 0.00 C ATOM 803 CD ARG A 53 -11.080 3.198 -9.548 1.00 0.00 C ATOM 804 NE ARG A 53 -10.780 2.564 -10.829 1.00 0.00 N ATOM 805 CZ ARG A 53 -10.399 3.236 -11.910 1.00 0.00 C ATOM 806 NH1 ARG A 53 -10.274 4.555 -11.865 1.00 0.00 N ATOM 807 NH2 ARG A 53 -10.144 2.587 -13.039 1.00 0.00 N ATOM 0 H ARG A 53 -7.515 6.909 -8.844 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.491 4.811 -6.996 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -9.787 5.428 -9.259 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.521 4.454 -9.980 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.188 2.500 -8.813 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.122 3.406 -7.639 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -11.813 2.597 -9.009 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -11.534 4.173 -9.724 1.00 0.00 H new ATOM 0 HE ARG A 53 -10.868 1.550 -10.898 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -10.470 5.057 -10.999 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -9.981 5.068 -12.696 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -10.241 1.572 -13.077 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -9.852 3.103 -13.869 1.00 0.00 H new ATOM 821 N HIS A 54 -5.711 4.990 -7.560 1.00 0.00 N ATOM 822 CA HIS A 54 -4.363 4.442 -7.666 1.00 0.00 C ATOM 823 C HIS A 54 -3.468 4.985 -6.556 1.00 0.00 C ATOM 824 O HIS A 54 -3.503 6.176 -6.242 1.00 0.00 O ATOM 825 CB HIS A 54 -3.761 4.772 -9.031 1.00 0.00 C ATOM 826 CG HIS A 54 -2.784 3.747 -9.519 1.00 0.00 C ATOM 827 ND1 HIS A 54 -2.836 3.199 -10.783 1.00 0.00 N ATOM 828 CD2 HIS A 54 -1.724 3.172 -8.904 1.00 0.00 C ATOM 829 CE1 HIS A 54 -1.851 2.329 -10.924 1.00 0.00 C ATOM 830 NE2 HIS A 54 -1.161 2.294 -9.798 1.00 0.00 N ATOM 0 H HIS A 54 -5.780 5.833 -6.991 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.428 3.359 -7.559 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -4.566 4.870 -9.760 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -3.262 5.739 -8.974 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -1.384 3.367 -7.898 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -1.645 1.746 -11.809 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -0.343 1.710 -9.621 1.00 0.00 H new ATOM 839 N LEU A 55 -2.666 4.106 -5.966 1.00 0.00 N ATOM 840 CA LEU A 55 -1.761 4.497 -4.891 1.00 0.00 C ATOM 841 C LEU A 55 -0.388 3.859 -5.076 1.00 0.00 C ATOM 842 O LEU A 55 -0.275 2.737 -5.569 1.00 0.00 O ATOM 843 CB LEU A 55 -2.344 4.095 -3.535 1.00 0.00 C ATOM 844 CG LEU A 55 -1.379 4.138 -2.350 1.00 0.00 C ATOM 845 CD1 LEU A 55 -0.817 5.540 -2.170 1.00 0.00 C ATOM 846 CD2 LEU A 55 -2.074 3.673 -1.079 1.00 0.00 C ATOM 0 H LEU A 55 -2.624 3.117 -6.214 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.645 5.580 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.187 4.751 -3.316 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.741 3.083 -3.618 1.00 0.00 H new ATOM 0 HG LEU A 55 -0.551 3.460 -2.556 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.132 5.551 -1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -0.282 5.836 -3.072 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.633 6.238 -1.986 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -1.372 3.710 -0.246 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -2.922 4.325 -0.869 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.427 2.650 -1.211 1.00 0.00 H new ATOM 858 N ARG A 56 0.653 4.582 -4.676 1.00 0.00 N ATOM 859 CA ARG A 56 2.019 4.086 -4.797 1.00 0.00 C ATOM 860 C ARG A 56 2.840 4.448 -3.562 1.00 0.00 C ATOM 861 O ARG A 56 2.732 5.554 -3.034 1.00 0.00 O ATOM 862 CB ARG A 56 2.684 4.660 -6.049 1.00 0.00 C ATOM 863 CG ARG A 56 3.991 3.976 -6.413 1.00 0.00 C ATOM 864 CD ARG A 56 4.903 4.901 -7.203 1.00 0.00 C ATOM 865 NE ARG A 56 4.547 4.943 -8.619 1.00 0.00 N ATOM 866 CZ ARG A 56 4.841 5.961 -9.421 1.00 0.00 C ATOM 867 NH1 ARG A 56 5.491 7.015 -8.948 1.00 0.00 N ATOM 868 NH2 ARG A 56 4.483 5.926 -10.698 1.00 0.00 N ATOM 0 H ARG A 56 0.577 5.513 -4.266 1.00 0.00 H new ATOM 0 HA ARG A 56 1.978 3.000 -4.881 1.00 0.00 H new ATOM 0 HB2 ARG A 56 1.993 4.575 -6.888 1.00 0.00 H new ATOM 0 HB3 ARG A 56 2.870 5.723 -5.896 1.00 0.00 H new ATOM 0 HG2 ARG A 56 4.499 3.652 -5.504 1.00 0.00 H new ATOM 0 HG3 ARG A 56 3.783 3.081 -6.999 1.00 0.00 H new ATOM 0 HD2 ARG A 56 4.849 5.906 -6.786 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.936 4.568 -7.099 1.00 0.00 H new ATOM 0 HE ARG A 56 4.045 4.147 -9.014 1.00 0.00 H new ATOM 0 HH11 ARG A 56 5.767 7.046 -7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 56 5.716 7.795 -9.566 1.00 0.00 H new ATOM 0 HH21 ARG A 56 3.982 5.117 -11.065 1.00 0.00 H new ATOM 0 HH22 ARG A 56 4.709 6.708 -11.313 1.00 0.00 H new ATOM 882 N VAL A 57 3.660 3.506 -3.106 1.00 0.00 N ATOM 883 CA VAL A 57 4.499 3.724 -1.934 1.00 0.00 C ATOM 884 C VAL A 57 5.849 3.033 -2.089 1.00 0.00 C ATOM 885 O VAL A 57 5.920 1.857 -2.441 1.00 0.00 O ATOM 886 CB VAL A 57 3.817 3.213 -0.652 1.00 0.00 C ATOM 887 CG1 VAL A 57 4.704 3.456 0.559 1.00 0.00 C ATOM 888 CG2 VAL A 57 2.460 3.875 -0.470 1.00 0.00 C ATOM 0 H VAL A 57 3.761 2.584 -3.531 1.00 0.00 H new ATOM 0 HA VAL A 57 4.652 4.800 -1.850 1.00 0.00 H new ATOM 0 HB VAL A 57 3.662 2.138 -0.749 1.00 0.00 H new ATOM 0 HG11 VAL A 57 4.205 3.088 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.650 2.930 0.429 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.894 4.524 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.992 3.502 0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 57 2.589 4.955 -0.396 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.825 3.644 -1.325 1.00 0.00 H new ATOM 898 N GLY A 58 6.921 3.774 -1.822 1.00 0.00 N ATOM 899 CA GLY A 58 8.256 3.215 -1.937 1.00 0.00 C ATOM 900 C GLY A 58 9.339 4.261 -1.762 1.00 0.00 C ATOM 901 O GLY A 58 9.082 5.352 -1.250 1.00 0.00 O ATOM 0 H GLY A 58 6.889 4.750 -1.528 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.385 2.434 -1.188 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.366 2.742 -2.913 1.00 0.00 H new ATOM 905 N LEU A 59 10.553 3.929 -2.185 1.00 0.00 N ATOM 906 CA LEU A 59 11.681 4.848 -2.072 1.00 0.00 C ATOM 907 C LEU A 59 12.198 5.248 -3.450 1.00 0.00 C ATOM 908 O LEU A 59 12.248 4.430 -4.368 1.00 0.00 O ATOM 909 CB LEU A 59 12.806 4.207 -1.258 1.00 0.00 C ATOM 910 CG LEU A 59 12.397 3.576 0.073 1.00 0.00 C ATOM 911 CD1 LEU A 59 13.311 2.409 0.414 1.00 0.00 C ATOM 912 CD2 LEU A 59 12.418 4.615 1.185 1.00 0.00 C ATOM 0 H LEU A 59 10.782 3.030 -2.610 1.00 0.00 H new ATOM 0 HA LEU A 59 11.337 5.746 -1.560 1.00 0.00 H new ATOM 0 HB2 LEU A 59 13.279 3.439 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 59 13.562 4.967 -1.060 1.00 0.00 H new ATOM 0 HG LEU A 59 11.379 3.197 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 59 13.005 1.973 1.365 1.00 0.00 H new ATOM 0 HD12 LEU A 59 13.245 1.654 -0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 59 14.339 2.763 0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 59 12.124 4.148 2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 59 13.424 5.024 1.282 1.00 0.00 H new ATOM 0 HD23 LEU A 59 11.721 5.418 0.946 1.00 0.00 H new ATOM 924 N LYS A 60 12.584 6.512 -3.587 1.00 0.00 N ATOM 925 CA LYS A 60 13.102 7.022 -4.851 1.00 0.00 C ATOM 926 C LYS A 60 14.137 6.068 -5.440 1.00 0.00 C ATOM 927 O LYS A 60 14.945 5.490 -4.715 1.00 0.00 O ATOM 928 CB LYS A 60 13.724 8.406 -4.651 1.00 0.00 C ATOM 929 CG LYS A 60 13.580 9.318 -5.856 1.00 0.00 C ATOM 930 CD LYS A 60 14.665 9.055 -6.887 1.00 0.00 C ATOM 931 CE LYS A 60 14.231 9.494 -8.277 1.00 0.00 C ATOM 932 NZ LYS A 60 14.348 10.968 -8.455 1.00 0.00 N ATOM 0 H LYS A 60 12.548 7.203 -2.837 1.00 0.00 H new ATOM 0 HA LYS A 60 12.269 7.103 -5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 60 13.259 8.882 -3.788 1.00 0.00 H new ATOM 0 HB3 LYS A 60 14.783 8.289 -4.419 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.601 9.169 -6.311 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.627 10.358 -5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 60 15.574 9.586 -6.604 1.00 0.00 H new ATOM 0 HD3 LYS A 60 14.907 7.992 -6.899 1.00 0.00 H new ATOM 0 HE2 LYS A 60 14.842 8.988 -9.025 1.00 0.00 H new ATOM 0 HE3 LYS A 60 13.199 9.188 -8.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 14.043 11.227 -9.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 13.746 11.451 -7.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 15.337 11.257 -8.316 1.00 0.00 H new ATOM 946 N GLY A 61 14.106 5.910 -6.759 1.00 0.00 N ATOM 947 CA GLY A 61 15.048 5.027 -7.423 1.00 0.00 C ATOM 948 C GLY A 61 14.698 3.564 -7.238 1.00 0.00 C ATOM 949 O GLY A 61 14.674 2.799 -8.201 1.00 0.00 O ATOM 0 H GLY A 61 13.446 6.377 -7.380 1.00 0.00 H new ATOM 0 HA2 GLY A 61 15.072 5.260 -8.487 1.00 0.00 H new ATOM 0 HA3 GLY A 61 16.050 5.210 -7.034 1.00 0.00 H new ATOM 953 N GLN A 62 14.429 3.174 -5.996 1.00 0.00 N ATOM 954 CA GLN A 62 14.082 1.791 -5.688 1.00 0.00 C ATOM 955 C GLN A 62 12.669 1.466 -6.162 1.00 0.00 C ATOM 956 O GLN A 62 11.857 2.354 -6.426 1.00 0.00 O ATOM 957 CB GLN A 62 14.200 1.536 -4.185 1.00 0.00 C ATOM 958 CG GLN A 62 15.570 1.032 -3.759 1.00 0.00 C ATOM 959 CD GLN A 62 16.521 2.158 -3.405 1.00 0.00 C ATOM 960 OE1 GLN A 62 17.208 2.702 -4.271 1.00 0.00 O ATOM 961 NE2 GLN A 62 16.568 2.515 -2.127 1.00 0.00 N ATOM 0 H GLN A 62 14.445 3.795 -5.187 1.00 0.00 H new ATOM 0 HA GLN A 62 14.781 1.141 -6.215 1.00 0.00 H new ATOM 0 HB2 GLN A 62 13.979 2.460 -3.650 1.00 0.00 H new ATOM 0 HB3 GLN A 62 13.446 0.807 -3.888 1.00 0.00 H new ATOM 0 HG2 GLN A 62 15.459 0.371 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 62 16.001 0.437 -4.564 1.00 0.00 H new ATOM 0 HE21 GLN A 62 15.982 2.038 -1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 62 17.190 3.267 -1.830 1.00 0.00 H new ATOM 970 N PRO A 63 12.366 0.164 -6.273 1.00 0.00 N ATOM 971 CA PRO A 63 11.051 -0.307 -6.715 1.00 0.00 C ATOM 972 C PRO A 63 9.962 -0.042 -5.681 1.00 0.00 C ATOM 973 O PRO A 63 10.175 -0.165 -4.474 1.00 0.00 O ATOM 974 CB PRO A 63 11.258 -1.813 -6.900 1.00 0.00 C ATOM 975 CG PRO A 63 12.388 -2.154 -5.992 1.00 0.00 C ATOM 976 CD PRO A 63 13.285 -0.947 -5.975 1.00 0.00 C ATOM 0 HA PRO A 63 10.716 0.206 -7.617 1.00 0.00 H new ATOM 0 HB2 PRO A 63 10.359 -2.371 -6.640 1.00 0.00 H new ATOM 0 HB3 PRO A 63 11.495 -2.056 -7.936 1.00 0.00 H new ATOM 0 HG2 PRO A 63 12.027 -2.386 -4.990 1.00 0.00 H new ATOM 0 HG3 PRO A 63 12.924 -3.033 -6.349 1.00 0.00 H new ATOM 0 HD2 PRO A 63 13.769 -0.820 -5.007 1.00 0.00 H new ATOM 0 HD3 PRO A 63 14.077 -1.024 -6.720 1.00 0.00 H new ATOM 984 N PRO A 64 8.766 0.330 -6.161 1.00 0.00 N ATOM 985 CA PRO A 64 7.620 0.619 -5.294 1.00 0.00 C ATOM 986 C PRO A 64 7.070 -0.635 -4.623 1.00 0.00 C ATOM 987 O PRO A 64 6.642 -1.574 -5.294 1.00 0.00 O ATOM 988 CB PRO A 64 6.586 1.207 -6.257 1.00 0.00 C ATOM 989 CG PRO A 64 6.944 0.642 -7.589 1.00 0.00 C ATOM 990 CD PRO A 64 8.441 0.496 -7.588 1.00 0.00 C ATOM 0 HA PRO A 64 7.887 1.286 -4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.573 0.928 -5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.627 2.296 -6.265 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.458 -0.321 -7.748 1.00 0.00 H new ATOM 0 HG3 PRO A 64 6.617 1.301 -8.393 1.00 0.00 H new ATOM 0 HD2 PRO A 64 8.761 -0.364 -8.176 1.00 0.00 H new ATOM 0 HD3 PRO A 64 8.931 1.372 -8.012 1.00 0.00 H new ATOM 998 N VAL A 65 7.084 -0.644 -3.294 1.00 0.00 N ATOM 999 CA VAL A 65 6.585 -1.782 -2.531 1.00 0.00 C ATOM 1000 C VAL A 65 5.101 -2.013 -2.796 1.00 0.00 C ATOM 1001 O VAL A 65 4.657 -3.151 -2.950 1.00 0.00 O ATOM 1002 CB VAL A 65 6.800 -1.582 -1.019 1.00 0.00 C ATOM 1003 CG1 VAL A 65 6.252 -2.769 -0.241 1.00 0.00 C ATOM 1004 CG2 VAL A 65 8.275 -1.369 -0.715 1.00 0.00 C ATOM 0 H VAL A 65 7.436 0.125 -2.723 1.00 0.00 H new ATOM 0 HA VAL A 65 7.150 -2.655 -2.858 1.00 0.00 H new ATOM 0 HB VAL A 65 6.256 -0.691 -0.706 1.00 0.00 H new ATOM 0 HG11 VAL A 65 6.413 -2.611 0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 65 5.184 -2.870 -0.436 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.766 -3.678 -0.554 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.409 -1.229 0.358 1.00 0.00 H new ATOM 0 HG22 VAL A 65 8.843 -2.240 -1.041 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.631 -0.485 -1.243 1.00 0.00 H new ATOM 1014 N VAL A 66 4.339 -0.925 -2.850 1.00 0.00 N ATOM 1015 CA VAL A 66 2.905 -1.009 -3.098 1.00 0.00 C ATOM 1016 C VAL A 66 2.529 -0.300 -4.394 1.00 0.00 C ATOM 1017 O VAL A 66 2.543 0.929 -4.468 1.00 0.00 O ATOM 1018 CB VAL A 66 2.098 -0.396 -1.938 1.00 0.00 C ATOM 1019 CG1 VAL A 66 0.614 -0.370 -2.274 1.00 0.00 C ATOM 1020 CG2 VAL A 66 2.347 -1.166 -0.650 1.00 0.00 C ATOM 0 H VAL A 66 4.691 0.024 -2.725 1.00 0.00 H new ATOM 0 HA VAL A 66 2.660 -2.068 -3.182 1.00 0.00 H new ATOM 0 HB VAL A 66 2.431 0.631 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.060 0.066 -1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.454 0.229 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 66 0.263 -1.387 -2.450 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.769 -0.719 0.159 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.043 -2.204 -0.782 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.408 -1.127 -0.402 1.00 0.00 H new ATOM 1030 N ASP A 67 2.194 -1.082 -5.414 1.00 0.00 N ATOM 1031 CA ASP A 67 1.813 -0.529 -6.709 1.00 0.00 C ATOM 1032 C ASP A 67 0.668 -1.328 -7.325 1.00 0.00 C ATOM 1033 O ASP A 67 0.862 -2.446 -7.798 1.00 0.00 O ATOM 1034 CB ASP A 67 3.013 -0.521 -7.657 1.00 0.00 C ATOM 1035 CG ASP A 67 3.469 -1.918 -8.027 1.00 0.00 C ATOM 1036 OD1 ASP A 67 3.367 -2.822 -7.170 1.00 0.00 O ATOM 1037 OD2 ASP A 67 3.927 -2.109 -9.173 1.00 0.00 O ATOM 0 H ASP A 67 2.178 -2.101 -5.370 1.00 0.00 H new ATOM 0 HA ASP A 67 1.476 0.496 -6.554 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.752 0.025 -8.564 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.838 0.015 -7.189 1.00 0.00 H new ATOM 1042 N GLY A 68 -0.527 -0.744 -7.314 1.00 0.00 N ATOM 1043 CA GLY A 68 -1.685 -1.416 -7.873 1.00 0.00 C ATOM 1044 C GLY A 68 -2.928 -0.548 -7.845 1.00 0.00 C ATOM 1045 O GLY A 68 -3.040 0.360 -7.022 1.00 0.00 O ATOM 0 H GLY A 68 -0.713 0.182 -6.928 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.471 -1.706 -8.902 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.873 -2.333 -7.315 1.00 0.00 H new ATOM 1049 N GLU A 69 -3.863 -0.828 -8.747 1.00 0.00 N ATOM 1050 CA GLU A 69 -5.103 -0.063 -8.824 1.00 0.00 C ATOM 1051 C GLU A 69 -5.951 -0.276 -7.573 1.00 0.00 C ATOM 1052 O GLU A 69 -6.249 -1.410 -7.196 1.00 0.00 O ATOM 1053 CB GLU A 69 -5.899 -0.464 -10.068 1.00 0.00 C ATOM 1054 CG GLU A 69 -7.269 0.188 -10.149 1.00 0.00 C ATOM 1055 CD GLU A 69 -7.987 -0.124 -11.447 1.00 0.00 C ATOM 1056 OE1 GLU A 69 -7.309 -0.221 -12.491 1.00 0.00 O ATOM 1057 OE2 GLU A 69 -9.227 -0.270 -11.420 1.00 0.00 O ATOM 0 H GLU A 69 -3.786 -1.578 -9.434 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.845 0.994 -8.892 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.326 -0.199 -10.957 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.020 -1.547 -10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.878 -0.150 -9.311 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.160 1.268 -10.049 1.00 0.00 H new ATOM 1064 N LEU A 70 -6.336 0.823 -6.933 1.00 0.00 N ATOM 1065 CA LEU A 70 -7.149 0.759 -5.724 1.00 0.00 C ATOM 1066 C LEU A 70 -8.484 0.075 -6.002 1.00 0.00 C ATOM 1067 O LEU A 70 -9.082 0.264 -7.062 1.00 0.00 O ATOM 1068 CB LEU A 70 -7.389 2.165 -5.172 1.00 0.00 C ATOM 1069 CG LEU A 70 -6.221 2.796 -4.413 1.00 0.00 C ATOM 1070 CD1 LEU A 70 -6.424 4.297 -4.274 1.00 0.00 C ATOM 1071 CD2 LEU A 70 -6.062 2.148 -3.045 1.00 0.00 C ATOM 0 H LEU A 70 -6.098 1.769 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.608 0.172 -4.982 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.653 2.820 -6.003 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.252 2.130 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 70 -5.307 2.625 -4.982 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.583 4.729 -3.731 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.488 4.749 -5.264 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -7.347 4.490 -3.727 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -5.226 2.609 -2.519 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -6.976 2.288 -2.468 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -5.870 1.082 -3.167 1.00 0.00 H new ATOM 1083 N TYR A 71 -8.947 -0.719 -5.043 1.00 0.00 N ATOM 1084 CA TYR A 71 -10.212 -1.431 -5.184 1.00 0.00 C ATOM 1085 C TYR A 71 -11.355 -0.461 -5.465 1.00 0.00 C ATOM 1086 O TYR A 71 -12.242 -0.746 -6.268 1.00 0.00 O ATOM 1087 CB TYR A 71 -10.511 -2.237 -3.918 1.00 0.00 C ATOM 1088 CG TYR A 71 -11.950 -2.688 -3.814 1.00 0.00 C ATOM 1089 CD1 TYR A 71 -12.452 -3.676 -4.652 1.00 0.00 C ATOM 1090 CD2 TYR A 71 -12.809 -2.126 -2.877 1.00 0.00 C ATOM 1091 CE1 TYR A 71 -13.766 -4.091 -4.561 1.00 0.00 C ATOM 1092 CE2 TYR A 71 -14.125 -2.535 -2.778 1.00 0.00 C ATOM 1093 CZ TYR A 71 -14.599 -3.518 -3.622 1.00 0.00 C ATOM 1094 OH TYR A 71 -15.908 -3.929 -3.527 1.00 0.00 O ATOM 0 H TYR A 71 -8.465 -0.886 -4.159 1.00 0.00 H new ATOM 0 HA TYR A 71 -10.124 -2.114 -6.029 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.862 -3.112 -3.893 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -10.265 -1.632 -3.045 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -11.803 -4.128 -5.388 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -12.441 -1.356 -2.215 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -14.140 -4.860 -5.221 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -14.779 -2.088 -2.044 1.00 0.00 H new ATOM 0 HH TYR A 71 -16.358 -3.427 -2.816 1.00 0.00 H new ATOM 1104 N ASN A 72 -11.325 0.688 -4.797 1.00 0.00 N ATOM 1105 CA ASN A 72 -12.359 1.702 -4.974 1.00 0.00 C ATOM 1106 C ASN A 72 -11.751 3.101 -4.983 1.00 0.00 C ATOM 1107 O ASN A 72 -10.554 3.270 -4.754 1.00 0.00 O ATOM 1108 CB ASN A 72 -13.404 1.594 -3.862 1.00 0.00 C ATOM 1109 CG ASN A 72 -14.657 2.391 -4.168 1.00 0.00 C ATOM 1110 OD1 ASN A 72 -15.091 3.219 -3.366 1.00 0.00 O ATOM 1111 ND2 ASN A 72 -15.246 2.145 -5.332 1.00 0.00 N ATOM 0 H ASN A 72 -10.597 0.940 -4.129 1.00 0.00 H new ATOM 0 HA ASN A 72 -12.843 1.529 -5.935 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -13.669 0.547 -3.717 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.972 1.946 -2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -16.093 2.651 -5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.852 1.450 -5.966 1.00 0.00 H new ATOM 1118 N GLU A 73 -12.586 4.101 -5.250 1.00 0.00 N ATOM 1119 CA GLU A 73 -12.131 5.486 -5.289 1.00 0.00 C ATOM 1120 C GLU A 73 -11.833 6.000 -3.883 1.00 0.00 C ATOM 1121 O GLU A 73 -12.461 5.583 -2.911 1.00 0.00 O ATOM 1122 CB GLU A 73 -13.184 6.373 -5.956 1.00 0.00 C ATOM 1123 CG GLU A 73 -13.061 6.431 -7.469 1.00 0.00 C ATOM 1124 CD GLU A 73 -13.636 7.708 -8.052 1.00 0.00 C ATOM 1125 OE1 GLU A 73 -13.290 8.797 -7.550 1.00 0.00 O ATOM 1126 OE2 GLU A 73 -14.430 7.617 -9.011 1.00 0.00 O ATOM 0 H GLU A 73 -13.580 3.978 -5.442 1.00 0.00 H new ATOM 0 HA GLU A 73 -11.212 5.524 -5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -14.176 6.004 -5.694 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -13.103 7.383 -5.554 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -12.010 6.349 -7.748 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.574 5.574 -7.905 1.00 0.00 H new ATOM 1133 N VAL A 74 -10.868 6.910 -3.785 1.00 0.00 N ATOM 1134 CA VAL A 74 -10.486 7.482 -2.500 1.00 0.00 C ATOM 1135 C VAL A 74 -10.179 8.970 -2.630 1.00 0.00 C ATOM 1136 O VAL A 74 -9.313 9.371 -3.407 1.00 0.00 O ATOM 1137 CB VAL A 74 -9.256 6.766 -1.910 1.00 0.00 C ATOM 1138 CG1 VAL A 74 -9.516 5.272 -1.786 1.00 0.00 C ATOM 1139 CG2 VAL A 74 -8.025 7.032 -2.762 1.00 0.00 C ATOM 0 H VAL A 74 -10.337 7.266 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 74 -11.334 7.346 -1.829 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.071 7.162 -0.912 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.636 4.783 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.371 5.105 -1.130 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.728 4.857 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.166 6.519 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -8.197 6.665 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.829 8.104 -2.793 1.00 0.00 H new ATOM 1149 N LYS A 75 -10.896 9.785 -1.864 1.00 0.00 N ATOM 1150 CA LYS A 75 -10.701 11.230 -1.891 1.00 0.00 C ATOM 1151 C LYS A 75 -9.216 11.579 -1.860 1.00 0.00 C ATOM 1152 O LYS A 75 -8.607 11.649 -0.793 1.00 0.00 O ATOM 1153 CB LYS A 75 -11.414 11.884 -0.705 1.00 0.00 C ATOM 1154 CG LYS A 75 -11.924 13.284 -0.999 1.00 0.00 C ATOM 1155 CD LYS A 75 -13.051 13.676 -0.059 1.00 0.00 C ATOM 1156 CE LYS A 75 -13.548 15.086 -0.342 1.00 0.00 C ATOM 1157 NZ LYS A 75 -14.129 15.723 0.873 1.00 0.00 N ATOM 0 H LYS A 75 -11.618 9.469 -1.216 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.127 11.612 -2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -12.253 11.256 -0.405 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -10.729 11.926 0.142 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -11.105 13.998 -0.905 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.274 13.335 -2.030 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.875 12.971 -0.164 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -12.705 13.611 0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.723 15.695 -0.712 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -14.300 15.055 -1.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.760 16.500 0.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -14.670 15.016 1.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.363 16.098 1.468 1.00 0.00 H new ATOM 1171 N VAL A 76 -8.640 11.799 -3.038 1.00 0.00 N ATOM 1172 CA VAL A 76 -7.228 12.144 -3.145 1.00 0.00 C ATOM 1173 C VAL A 76 -6.969 13.562 -2.649 1.00 0.00 C ATOM 1174 O VAL A 76 -5.962 13.826 -1.992 1.00 0.00 O ATOM 1175 CB VAL A 76 -6.728 12.020 -4.597 1.00 0.00 C ATOM 1176 CG1 VAL A 76 -7.580 12.869 -5.528 1.00 0.00 C ATOM 1177 CG2 VAL A 76 -5.263 12.416 -4.692 1.00 0.00 C ATOM 0 H VAL A 76 -9.130 11.744 -3.931 1.00 0.00 H new ATOM 0 HA VAL A 76 -6.682 11.438 -2.519 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.819 10.979 -4.907 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -7.213 12.769 -6.549 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -8.616 12.533 -5.481 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -7.523 13.914 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.927 12.322 -5.725 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -5.143 13.448 -4.364 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -4.667 11.762 -4.056 1.00 0.00 H new ATOM 1187 N GLU A 77 -7.885 14.471 -2.968 1.00 0.00 N ATOM 1188 CA GLU A 77 -7.755 15.863 -2.555 1.00 0.00 C ATOM 1189 C GLU A 77 -7.638 15.971 -1.037 1.00 0.00 C ATOM 1190 O GLU A 77 -7.093 16.943 -0.514 1.00 0.00 O ATOM 1191 CB GLU A 77 -8.954 16.678 -3.044 1.00 0.00 C ATOM 1192 CG GLU A 77 -10.295 16.048 -2.709 1.00 0.00 C ATOM 1193 CD GLU A 77 -11.360 16.360 -3.743 1.00 0.00 C ATOM 1194 OE1 GLU A 77 -11.057 16.273 -4.951 1.00 0.00 O ATOM 1195 OE2 GLU A 77 -12.497 16.690 -3.344 1.00 0.00 O ATOM 0 H GLU A 77 -8.725 14.268 -3.511 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.846 16.264 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.910 17.674 -2.603 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.881 16.804 -4.124 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -10.175 14.967 -2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -10.626 16.404 -1.733 1.00 0.00 H new ATOM 1202 N GLU A 78 -8.155 14.967 -0.336 1.00 0.00 N ATOM 1203 CA GLU A 78 -8.110 14.950 1.121 1.00 0.00 C ATOM 1204 C GLU A 78 -7.032 13.992 1.621 1.00 0.00 C ATOM 1205 O GLU A 78 -6.323 14.287 2.583 1.00 0.00 O ATOM 1206 CB GLU A 78 -9.471 14.546 1.691 1.00 0.00 C ATOM 1207 CG GLU A 78 -10.409 15.720 1.920 1.00 0.00 C ATOM 1208 CD GLU A 78 -10.001 16.568 3.108 1.00 0.00 C ATOM 1209 OE1 GLU A 78 -9.092 17.410 2.953 1.00 0.00 O ATOM 1210 OE2 GLU A 78 -10.592 16.390 4.194 1.00 0.00 O ATOM 0 H GLU A 78 -8.610 14.155 -0.754 1.00 0.00 H new ATOM 0 HA GLU A 78 -7.865 15.956 1.463 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -9.946 13.840 1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -9.319 14.024 2.636 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -10.432 16.342 1.025 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.421 15.347 2.075 1.00 0.00 H new ATOM 1217 N SER A 79 -6.916 12.845 0.961 1.00 0.00 N ATOM 1218 CA SER A 79 -5.928 11.841 1.340 1.00 0.00 C ATOM 1219 C SER A 79 -4.561 12.481 1.562 1.00 0.00 C ATOM 1220 O SER A 79 -4.215 13.471 0.917 1.00 0.00 O ATOM 1221 CB SER A 79 -5.829 10.760 0.263 1.00 0.00 C ATOM 1222 OG SER A 79 -6.825 9.767 0.443 1.00 0.00 O ATOM 0 H SER A 79 -7.494 12.587 0.161 1.00 0.00 H new ATOM 0 HA SER A 79 -6.252 11.383 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.937 11.213 -0.722 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.842 10.299 0.296 1.00 0.00 H new ATOM 0 HG SER A 79 -7.681 10.095 0.096 1.00 0.00 H new ATOM 1228 N SER A 80 -3.788 11.908 2.478 1.00 0.00 N ATOM 1229 CA SER A 80 -2.460 12.423 2.789 1.00 0.00 C ATOM 1230 C SER A 80 -1.630 11.376 3.525 1.00 0.00 C ATOM 1231 O SER A 80 -2.165 10.552 4.265 1.00 0.00 O ATOM 1232 CB SER A 80 -2.568 13.693 3.636 1.00 0.00 C ATOM 1233 OG SER A 80 -3.233 14.724 2.927 1.00 0.00 O ATOM 0 H SER A 80 -4.059 11.086 3.018 1.00 0.00 H new ATOM 0 HA SER A 80 -1.961 12.662 1.850 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.108 13.474 4.557 1.00 0.00 H new ATOM 0 HB3 SER A 80 -1.571 14.029 3.922 1.00 0.00 H new ATOM 0 HG SER A 80 -3.343 14.458 1.990 1.00 0.00 H new ATOM 1239 N TRP A 81 -0.319 11.417 3.316 1.00 0.00 N ATOM 1240 CA TRP A 81 0.587 10.472 3.959 1.00 0.00 C ATOM 1241 C TRP A 81 1.628 11.202 4.801 1.00 0.00 C ATOM 1242 O TRP A 81 1.749 12.426 4.731 1.00 0.00 O ATOM 1243 CB TRP A 81 1.281 9.603 2.909 1.00 0.00 C ATOM 1244 CG TRP A 81 2.164 10.383 1.983 1.00 0.00 C ATOM 1245 CD1 TRP A 81 1.778 11.071 0.867 1.00 0.00 C ATOM 1246 CD2 TRP A 81 3.582 10.554 2.091 1.00 0.00 C ATOM 1247 NE1 TRP A 81 2.870 11.658 0.276 1.00 0.00 N ATOM 1248 CE2 TRP A 81 3.989 11.357 1.008 1.00 0.00 C ATOM 1249 CE3 TRP A 81 4.546 10.108 2.999 1.00 0.00 C ATOM 1250 CZ2 TRP A 81 5.318 11.721 0.809 1.00 0.00 C ATOM 1251 CZ3 TRP A 81 5.865 10.470 2.800 1.00 0.00 C ATOM 1252 CH2 TRP A 81 6.241 11.271 1.713 1.00 0.00 C ATOM 0 H TRP A 81 0.140 12.094 2.707 1.00 0.00 H new ATOM 0 HA TRP A 81 -0.002 9.833 4.617 1.00 0.00 H new ATOM 0 HB2 TRP A 81 1.877 8.842 3.413 1.00 0.00 H new ATOM 0 HB3 TRP A 81 0.525 9.079 2.324 1.00 0.00 H new ATOM 0 HD1 TRP A 81 0.764 11.143 0.503 1.00 0.00 H new ATOM 0 HE1 TRP A 81 2.851 12.226 -0.571 1.00 0.00 H new ATOM 0 HE3 TRP A 81 4.266 9.492 3.841 1.00 0.00 H new ATOM 0 HZ2 TRP A 81 5.610 12.337 -0.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 81 6.619 10.130 3.494 1.00 0.00 H new ATOM 0 HH2 TRP A 81 7.280 11.538 1.587 1.00 0.00 H new ATOM 1263 N LEU A 82 2.376 10.445 5.596 1.00 0.00 N ATOM 1264 CA LEU A 82 3.407 11.022 6.452 1.00 0.00 C ATOM 1265 C LEU A 82 4.440 9.970 6.844 1.00 0.00 C ATOM 1266 O LEU A 82 4.198 8.769 6.713 1.00 0.00 O ATOM 1267 CB LEU A 82 2.776 11.626 7.708 1.00 0.00 C ATOM 1268 CG LEU A 82 2.479 10.649 8.846 1.00 0.00 C ATOM 1269 CD1 LEU A 82 3.679 10.527 9.773 1.00 0.00 C ATOM 1270 CD2 LEU A 82 1.247 11.093 9.622 1.00 0.00 C ATOM 0 H LEU A 82 2.288 9.431 5.666 1.00 0.00 H new ATOM 0 HA LEU A 82 3.911 11.809 5.892 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.441 12.403 8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 82 1.844 12.115 7.423 1.00 0.00 H new ATOM 0 HG LEU A 82 2.279 9.669 8.414 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.448 9.827 10.576 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.538 10.162 9.210 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.911 11.504 10.198 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.050 10.386 10.428 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.419 12.084 10.042 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.388 11.127 8.952 1.00 0.00 H new ATOM 1282 N ILE A 83 5.590 10.428 7.326 1.00 0.00 N ATOM 1283 CA ILE A 83 6.658 9.527 7.740 1.00 0.00 C ATOM 1284 C ILE A 83 6.619 9.282 9.245 1.00 0.00 C ATOM 1285 O ILE A 83 6.647 10.223 10.037 1.00 0.00 O ATOM 1286 CB ILE A 83 8.043 10.081 7.357 1.00 0.00 C ATOM 1287 CG1 ILE A 83 8.185 10.151 5.836 1.00 0.00 C ATOM 1288 CG2 ILE A 83 9.143 9.219 7.959 1.00 0.00 C ATOM 1289 CD1 ILE A 83 9.198 11.174 5.370 1.00 0.00 C ATOM 0 H ILE A 83 5.806 11.418 7.440 1.00 0.00 H new ATOM 0 HA ILE A 83 6.496 8.585 7.217 1.00 0.00 H new ATOM 0 HB ILE A 83 8.139 11.090 7.758 1.00 0.00 H new ATOM 0 HG12 ILE A 83 8.473 9.169 5.461 1.00 0.00 H new ATOM 0 HG13 ILE A 83 7.215 10.387 5.399 1.00 0.00 H new ATOM 0 HG21 ILE A 83 10.116 9.623 7.680 1.00 0.00 H new ATOM 0 HG22 ILE A 83 9.050 9.216 9.045 1.00 0.00 H new ATOM 0 HG23 ILE A 83 9.052 8.199 7.584 1.00 0.00 H new ATOM 0 HD11 ILE A 83 9.246 11.169 4.281 1.00 0.00 H new ATOM 0 HD12 ILE A 83 8.900 12.164 5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 83 10.178 10.927 5.778 1.00 0.00 H new ATOM 1301 N GLU A 84 6.556 8.012 9.631 1.00 0.00 N ATOM 1302 CA GLU A 84 6.514 7.644 11.042 1.00 0.00 C ATOM 1303 C GLU A 84 7.894 7.215 11.533 1.00 0.00 C ATOM 1304 O GLU A 84 8.513 6.313 10.968 1.00 0.00 O ATOM 1305 CB GLU A 84 5.506 6.515 11.268 1.00 0.00 C ATOM 1306 CG GLU A 84 4.102 7.007 11.579 1.00 0.00 C ATOM 1307 CD GLU A 84 4.004 7.667 12.941 1.00 0.00 C ATOM 1308 OE1 GLU A 84 3.872 6.939 13.946 1.00 0.00 O ATOM 1309 OE2 GLU A 84 4.059 8.914 13.000 1.00 0.00 O ATOM 0 H GLU A 84 6.533 7.221 8.988 1.00 0.00 H new ATOM 0 HA GLU A 84 6.201 8.520 11.611 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.473 5.885 10.379 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.853 5.888 12.090 1.00 0.00 H new ATOM 0 HG2 GLU A 84 3.791 7.717 10.812 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.409 6.167 11.536 1.00 0.00 H new ATOM 1316 N ASP A 85 8.369 7.867 12.588 1.00 0.00 N ATOM 1317 CA ASP A 85 9.675 7.553 13.157 1.00 0.00 C ATOM 1318 C ASP A 85 10.713 7.357 12.057 1.00 0.00 C ATOM 1319 O ASP A 85 11.539 6.447 12.124 1.00 0.00 O ATOM 1320 CB ASP A 85 9.588 6.297 14.024 1.00 0.00 C ATOM 1321 CG ASP A 85 8.994 6.576 15.391 1.00 0.00 C ATOM 1322 OD1 ASP A 85 9.346 7.613 15.991 1.00 0.00 O ATOM 1323 OD2 ASP A 85 8.175 5.758 15.859 1.00 0.00 O ATOM 0 H ASP A 85 7.870 8.616 13.067 1.00 0.00 H new ATOM 0 HA ASP A 85 9.985 8.393 13.779 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.982 5.548 13.514 1.00 0.00 H new ATOM 0 HB3 ASP A 85 10.585 5.872 14.144 1.00 0.00 H new ATOM 1328 N GLY A 86 10.665 8.217 11.044 1.00 0.00 N ATOM 1329 CA GLY A 86 11.606 8.120 9.943 1.00 0.00 C ATOM 1330 C GLY A 86 11.988 6.687 9.631 1.00 0.00 C ATOM 1331 O GLY A 86 13.123 6.409 9.243 1.00 0.00 O ATOM 0 H GLY A 86 9.991 8.979 10.966 1.00 0.00 H new ATOM 0 HA2 GLY A 86 11.170 8.578 9.055 1.00 0.00 H new ATOM 0 HA3 GLY A 86 12.504 8.688 10.186 1.00 0.00 H new ATOM 1335 N LYS A 87 11.039 5.773 9.802 1.00 0.00 N ATOM 1336 CA LYS A 87 11.280 4.359 9.537 1.00 0.00 C ATOM 1337 C LYS A 87 10.126 3.749 8.748 1.00 0.00 C ATOM 1338 O LYS A 87 10.329 2.866 7.914 1.00 0.00 O ATOM 1339 CB LYS A 87 11.472 3.598 10.850 1.00 0.00 C ATOM 1340 CG LYS A 87 10.279 3.689 11.786 1.00 0.00 C ATOM 1341 CD LYS A 87 10.274 2.552 12.795 1.00 0.00 C ATOM 1342 CE LYS A 87 11.038 2.923 14.056 1.00 0.00 C ATOM 1343 NZ LYS A 87 11.241 1.748 14.948 1.00 0.00 N ATOM 0 H LYS A 87 10.095 5.986 10.123 1.00 0.00 H new ATOM 0 HA LYS A 87 12.189 4.277 8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 87 11.669 2.549 10.627 1.00 0.00 H new ATOM 0 HB3 LYS A 87 12.354 3.987 11.360 1.00 0.00 H new ATOM 0 HG2 LYS A 87 10.300 4.643 12.312 1.00 0.00 H new ATOM 0 HG3 LYS A 87 9.357 3.665 11.205 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.246 2.297 13.053 1.00 0.00 H new ATOM 0 HD3 LYS A 87 10.719 1.664 12.346 1.00 0.00 H new ATOM 0 HE2 LYS A 87 12.006 3.344 13.784 1.00 0.00 H new ATOM 0 HE3 LYS A 87 10.494 3.698 14.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.766 2.043 15.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.317 1.362 15.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 11.782 1.018 14.443 1.00 0.00 H new ATOM 1357 N VAL A 88 8.914 4.227 9.015 1.00 0.00 N ATOM 1358 CA VAL A 88 7.728 3.730 8.328 1.00 0.00 C ATOM 1359 C VAL A 88 7.033 4.845 7.555 1.00 0.00 C ATOM 1360 O VAL A 88 7.174 6.023 7.882 1.00 0.00 O ATOM 1361 CB VAL A 88 6.727 3.105 9.317 1.00 0.00 C ATOM 1362 CG1 VAL A 88 5.571 2.458 8.570 1.00 0.00 C ATOM 1363 CG2 VAL A 88 7.425 2.095 10.215 1.00 0.00 C ATOM 0 H VAL A 88 8.728 4.958 9.702 1.00 0.00 H new ATOM 0 HA VAL A 88 8.065 2.963 7.630 1.00 0.00 H new ATOM 0 HB VAL A 88 6.323 3.897 9.947 1.00 0.00 H new ATOM 0 HG11 VAL A 88 4.874 2.022 9.286 1.00 0.00 H new ATOM 0 HG12 VAL A 88 5.055 3.211 7.974 1.00 0.00 H new ATOM 0 HG13 VAL A 88 5.954 1.676 7.914 1.00 0.00 H new ATOM 0 HG21 VAL A 88 6.702 1.663 10.908 1.00 0.00 H new ATOM 0 HG22 VAL A 88 7.859 1.304 9.604 1.00 0.00 H new ATOM 0 HG23 VAL A 88 8.214 2.593 10.778 1.00 0.00 H new ATOM 1373 N VAL A 89 6.282 4.465 6.526 1.00 0.00 N ATOM 1374 CA VAL A 89 5.563 5.433 5.706 1.00 0.00 C ATOM 1375 C VAL A 89 4.064 5.152 5.711 1.00 0.00 C ATOM 1376 O VAL A 89 3.587 4.255 5.015 1.00 0.00 O ATOM 1377 CB VAL A 89 6.071 5.424 4.252 1.00 0.00 C ATOM 1378 CG1 VAL A 89 5.152 6.245 3.360 1.00 0.00 C ATOM 1379 CG2 VAL A 89 7.499 5.945 4.184 1.00 0.00 C ATOM 0 H VAL A 89 6.156 3.494 6.241 1.00 0.00 H new ATOM 0 HA VAL A 89 5.747 6.415 6.141 1.00 0.00 H new ATOM 0 HB VAL A 89 6.066 4.396 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.527 6.227 2.337 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.147 5.823 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.122 7.274 3.717 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.842 5.932 3.150 1.00 0.00 H new ATOM 0 HG22 VAL A 89 7.532 6.966 4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.147 5.311 4.789 1.00 0.00 H new ATOM 1389 N THR A 90 3.325 5.925 6.501 1.00 0.00 N ATOM 1390 CA THR A 90 1.880 5.760 6.597 1.00 0.00 C ATOM 1391 C THR A 90 1.158 6.618 5.565 1.00 0.00 C ATOM 1392 O THR A 90 1.585 7.733 5.262 1.00 0.00 O ATOM 1393 CB THR A 90 1.366 6.124 8.003 1.00 0.00 C ATOM 1394 OG1 THR A 90 1.842 7.422 8.377 1.00 0.00 O ATOM 1395 CG2 THR A 90 1.820 5.097 9.028 1.00 0.00 C ATOM 0 H THR A 90 3.704 6.672 7.084 1.00 0.00 H new ATOM 0 HA THR A 90 1.668 4.709 6.402 1.00 0.00 H new ATOM 0 HB THR A 90 0.276 6.130 7.977 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.510 7.647 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.445 5.375 10.013 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.432 4.115 8.756 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.909 5.063 9.051 1.00 0.00 H new ATOM 1403 N VAL A 91 0.061 6.094 5.029 1.00 0.00 N ATOM 1404 CA VAL A 91 -0.722 6.814 4.032 1.00 0.00 C ATOM 1405 C VAL A 91 -2.212 6.744 4.348 1.00 0.00 C ATOM 1406 O VAL A 91 -2.822 5.677 4.283 1.00 0.00 O ATOM 1407 CB VAL A 91 -0.482 6.253 2.618 1.00 0.00 C ATOM 1408 CG1 VAL A 91 -1.275 7.043 1.588 1.00 0.00 C ATOM 1409 CG2 VAL A 91 1.002 6.266 2.284 1.00 0.00 C ATOM 0 H VAL A 91 -0.306 5.173 5.269 1.00 0.00 H new ATOM 0 HA VAL A 91 -0.395 7.853 4.063 1.00 0.00 H new ATOM 0 HB VAL A 91 -0.828 5.220 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -1.093 6.632 0.595 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.338 6.977 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.963 8.087 1.611 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.153 5.866 1.281 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.376 7.289 2.327 1.00 0.00 H new ATOM 0 HG23 VAL A 91 1.542 5.652 3.004 1.00 0.00 H new ATOM 1419 N HIS A 92 -2.792 7.890 4.691 1.00 0.00 N ATOM 1420 CA HIS A 92 -4.212 7.960 5.017 1.00 0.00 C ATOM 1421 C HIS A 92 -5.054 8.084 3.751 1.00 0.00 C ATOM 1422 O HIS A 92 -4.931 9.055 3.003 1.00 0.00 O ATOM 1423 CB HIS A 92 -4.487 9.144 5.944 1.00 0.00 C ATOM 1424 CG HIS A 92 -5.924 9.565 5.968 1.00 0.00 C ATOM 1425 ND1 HIS A 92 -6.778 9.267 7.009 1.00 0.00 N ATOM 1426 CD2 HIS A 92 -6.656 10.268 5.072 1.00 0.00 C ATOM 1427 CE1 HIS A 92 -7.974 9.766 6.751 1.00 0.00 C ATOM 1428 NE2 HIS A 92 -7.926 10.379 5.582 1.00 0.00 N ATOM 0 H HIS A 92 -2.301 8.782 4.750 1.00 0.00 H new ATOM 0 HA HIS A 92 -4.488 7.037 5.528 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.177 8.882 6.956 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.874 9.990 5.631 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -6.306 10.667 4.131 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -8.843 9.686 7.388 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.706 10.857 5.131 1.00 0.00 H new ATOM 1437 N LEU A 93 -5.910 7.095 3.516 1.00 0.00 N ATOM 1438 CA LEU A 93 -6.772 7.093 2.339 1.00 0.00 C ATOM 1439 C LEU A 93 -8.232 7.293 2.734 1.00 0.00 C ATOM 1440 O LEU A 93 -8.800 6.492 3.475 1.00 0.00 O ATOM 1441 CB LEU A 93 -6.616 5.779 1.570 1.00 0.00 C ATOM 1442 CG LEU A 93 -5.278 5.572 0.861 1.00 0.00 C ATOM 1443 CD1 LEU A 93 -5.054 4.097 0.564 1.00 0.00 C ATOM 1444 CD2 LEU A 93 -5.220 6.391 -0.420 1.00 0.00 C ATOM 0 H LEU A 93 -6.025 6.285 4.125 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.471 7.921 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.767 4.954 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.411 5.719 0.827 1.00 0.00 H new ATOM 0 HG LEU A 93 -4.482 5.913 1.522 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.097 3.969 0.059 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.050 3.534 1.498 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -5.855 3.729 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -4.260 6.231 -0.911 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -6.025 6.081 -1.087 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -5.333 7.448 -0.181 1.00 0.00 H new ATOM 1456 N GLU A 94 -8.833 8.368 2.232 1.00 0.00 N ATOM 1457 CA GLU A 94 -10.227 8.672 2.532 1.00 0.00 C ATOM 1458 C GLU A 94 -11.163 7.918 1.592 1.00 0.00 C ATOM 1459 O GLU A 94 -11.047 8.016 0.370 1.00 0.00 O ATOM 1460 CB GLU A 94 -10.479 10.177 2.420 1.00 0.00 C ATOM 1461 CG GLU A 94 -11.908 10.581 2.744 1.00 0.00 C ATOM 1462 CD GLU A 94 -12.435 9.907 3.995 1.00 0.00 C ATOM 1463 OE1 GLU A 94 -11.737 9.945 5.029 1.00 0.00 O ATOM 1464 OE2 GLU A 94 -13.547 9.341 3.939 1.00 0.00 O ATOM 0 H GLU A 94 -8.377 9.042 1.617 1.00 0.00 H new ATOM 0 HA GLU A 94 -10.430 8.351 3.554 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -9.801 10.701 3.093 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -10.239 10.503 1.408 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -11.956 11.663 2.871 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -12.552 10.330 1.902 1.00 0.00 H new ATOM 1471 N LYS A 95 -12.092 7.164 2.171 1.00 0.00 N ATOM 1472 CA LYS A 95 -13.049 6.392 1.387 1.00 0.00 C ATOM 1473 C LYS A 95 -14.214 7.268 0.936 1.00 0.00 C ATOM 1474 O LYS A 95 -14.980 7.770 1.759 1.00 0.00 O ATOM 1475 CB LYS A 95 -13.573 5.210 2.206 1.00 0.00 C ATOM 1476 CG LYS A 95 -12.607 4.039 2.271 1.00 0.00 C ATOM 1477 CD LYS A 95 -13.279 2.793 2.822 1.00 0.00 C ATOM 1478 CE LYS A 95 -12.257 1.797 3.351 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.909 0.602 3.954 1.00 0.00 N ATOM 0 H LYS A 95 -12.202 7.071 3.181 1.00 0.00 H new ATOM 0 HA LYS A 95 -12.537 6.015 0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -13.789 5.548 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -14.515 4.870 1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -12.216 3.833 1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -11.756 4.303 2.899 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -13.965 3.072 3.622 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -13.875 2.323 2.040 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -11.602 1.482 2.538 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -11.628 2.283 4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.358 -0.249 3.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.953 0.715 4.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -13.873 0.504 3.575 1.00 0.00 H new ATOM 1493 N ILE A 96 -14.341 7.444 -0.375 1.00 0.00 N ATOM 1494 CA ILE A 96 -15.414 8.257 -0.935 1.00 0.00 C ATOM 1495 C ILE A 96 -16.748 7.944 -0.264 1.00 0.00 C ATOM 1496 O ILE A 96 -17.527 8.846 0.041 1.00 0.00 O ATOM 1497 CB ILE A 96 -15.553 8.039 -2.453 1.00 0.00 C ATOM 1498 CG1 ILE A 96 -14.269 8.461 -3.170 1.00 0.00 C ATOM 1499 CG2 ILE A 96 -16.746 8.812 -2.993 1.00 0.00 C ATOM 1500 CD1 ILE A 96 -14.021 9.953 -3.136 1.00 0.00 C ATOM 0 H ILE A 96 -13.715 7.035 -1.069 1.00 0.00 H new ATOM 0 HA ILE A 96 -15.151 9.298 -0.749 1.00 0.00 H new ATOM 0 HB ILE A 96 -15.719 6.978 -2.639 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -13.422 7.949 -2.713 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -14.317 8.132 -4.208 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -16.830 8.647 -4.067 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -17.656 8.468 -2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -16.608 9.876 -2.799 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -13.094 10.180 -3.663 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -14.849 10.471 -3.620 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -13.940 10.285 -2.101 1.00 0.00 H new ATOM 1512 N ASN A 97 -17.003 6.660 -0.036 1.00 0.00 N ATOM 1513 CA ASN A 97 -18.242 6.228 0.600 1.00 0.00 C ATOM 1514 C ASN A 97 -17.961 5.580 1.953 1.00 0.00 C ATOM 1515 O ASN A 97 -17.948 4.355 2.076 1.00 0.00 O ATOM 1516 CB ASN A 97 -18.988 5.245 -0.304 1.00 0.00 C ATOM 1517 CG ASN A 97 -19.771 5.945 -1.398 1.00 0.00 C ATOM 1518 OD1 ASN A 97 -20.858 6.470 -1.159 1.00 0.00 O ATOM 1519 ND2 ASN A 97 -19.219 5.956 -2.606 1.00 0.00 N ATOM 0 H ASN A 97 -16.368 5.901 -0.282 1.00 0.00 H new ATOM 0 HA ASN A 97 -18.865 7.108 0.760 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -18.273 4.557 -0.756 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -19.669 4.646 0.300 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -19.699 6.413 -3.382 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -18.315 5.508 -2.758 1.00 0.00 H new ATOM 1526 N LYS A 98 -17.738 6.410 2.966 1.00 0.00 N ATOM 1527 CA LYS A 98 -17.460 5.920 4.310 1.00 0.00 C ATOM 1528 C LYS A 98 -18.395 4.771 4.675 1.00 0.00 C ATOM 1529 O LYS A 98 -18.040 3.896 5.463 1.00 0.00 O ATOM 1530 CB LYS A 98 -17.606 7.053 5.329 1.00 0.00 C ATOM 1531 CG LYS A 98 -16.429 8.013 5.343 1.00 0.00 C ATOM 1532 CD LYS A 98 -16.675 9.184 6.279 1.00 0.00 C ATOM 1533 CE LYS A 98 -15.602 10.252 6.131 1.00 0.00 C ATOM 1534 NZ LYS A 98 -14.483 10.050 7.092 1.00 0.00 N ATOM 0 H LYS A 98 -17.744 7.426 2.881 1.00 0.00 H new ATOM 0 HA LYS A 98 -16.434 5.551 4.330 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -18.517 7.611 5.112 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -17.725 6.623 6.323 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.529 7.482 5.652 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.249 8.384 4.334 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.653 9.618 6.071 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -16.697 8.829 7.309 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -15.213 10.238 5.113 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.044 11.236 6.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -13.772 10.798 6.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -14.849 10.089 8.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -14.044 9.122 6.924 1.00 0.00 H new ATOM 1548 N MET A 99 -19.591 4.781 4.095 1.00 0.00 N ATOM 1549 CA MET A 99 -20.576 3.738 4.358 1.00 0.00 C ATOM 1550 C MET A 99 -20.327 2.520 3.474 1.00 0.00 C ATOM 1551 O MET A 99 -21.243 1.749 3.193 1.00 0.00 O ATOM 1552 CB MET A 99 -21.990 4.271 4.124 1.00 0.00 C ATOM 1553 CG MET A 99 -22.575 4.992 5.328 1.00 0.00 C ATOM 1554 SD MET A 99 -23.263 3.859 6.550 1.00 0.00 S ATOM 1555 CE MET A 99 -22.165 4.148 7.936 1.00 0.00 C ATOM 0 H MET A 99 -19.901 5.499 3.440 1.00 0.00 H new ATOM 0 HA MET A 99 -20.478 3.435 5.400 1.00 0.00 H new ATOM 0 HB2 MET A 99 -21.976 4.953 3.274 1.00 0.00 H new ATOM 0 HB3 MET A 99 -22.643 3.440 3.856 1.00 0.00 H new ATOM 0 HG2 MET A 99 -21.799 5.598 5.796 1.00 0.00 H new ATOM 0 HG3 MET A 99 -23.355 5.676 4.993 1.00 0.00 H new ATOM 0 HE1 MET A 99 -22.463 3.517 8.774 1.00 0.00 H new ATOM 0 HE2 MET A 99 -21.142 3.908 7.646 1.00 0.00 H new ATOM 0 HE3 MET A 99 -22.221 5.195 8.233 1.00 0.00 H new ATOM 1565 N GLU A 100 -19.081 2.354 3.039 1.00 0.00 N ATOM 1566 CA GLU A 100 -18.714 1.231 2.186 1.00 0.00 C ATOM 1567 C GLU A 100 -17.466 0.530 2.717 1.00 0.00 C ATOM 1568 O GLU A 100 -16.551 1.174 3.230 1.00 0.00 O ATOM 1569 CB GLU A 100 -18.474 1.707 0.752 1.00 0.00 C ATOM 1570 CG GLU A 100 -18.006 0.606 -0.185 1.00 0.00 C ATOM 1571 CD GLU A 100 -19.157 -0.109 -0.864 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -20.203 -0.305 -0.210 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -19.013 -0.474 -2.050 1.00 0.00 O ATOM 0 H GLU A 100 -18.310 2.983 3.264 1.00 0.00 H new ATOM 0 HA GLU A 100 -19.540 0.519 2.191 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -19.397 2.137 0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -17.730 2.504 0.762 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -17.350 1.034 -0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -17.414 -0.117 0.377 1.00 0.00 H new ATOM 1580 N TRP A 101 -17.438 -0.791 2.589 1.00 0.00 N ATOM 1581 CA TRP A 101 -16.303 -1.580 3.056 1.00 0.00 C ATOM 1582 C TRP A 101 -15.351 -1.896 1.908 1.00 0.00 C ATOM 1583 O TRP A 101 -15.682 -1.692 0.741 1.00 0.00 O ATOM 1584 CB TRP A 101 -16.789 -2.878 3.704 1.00 0.00 C ATOM 1585 CG TRP A 101 -17.258 -2.697 5.116 1.00 0.00 C ATOM 1586 CD1 TRP A 101 -18.551 -2.690 5.556 1.00 0.00 C ATOM 1587 CD2 TRP A 101 -16.438 -2.495 6.272 1.00 0.00 C ATOM 1588 NE1 TRP A 101 -18.584 -2.497 6.916 1.00 0.00 N ATOM 1589 CE2 TRP A 101 -17.300 -2.375 7.379 1.00 0.00 C ATOM 1590 CE3 TRP A 101 -15.059 -2.407 6.480 1.00 0.00 C ATOM 1591 CZ2 TRP A 101 -16.827 -2.170 8.673 1.00 0.00 C ATOM 1592 CZ3 TRP A 101 -14.591 -2.203 7.764 1.00 0.00 C ATOM 1593 CH2 TRP A 101 -15.473 -2.087 8.847 1.00 0.00 C ATOM 0 H TRP A 101 -18.187 -1.339 2.166 1.00 0.00 H new ATOM 0 HA TRP A 101 -15.764 -0.991 3.799 1.00 0.00 H new ATOM 0 HB2 TRP A 101 -17.603 -3.291 3.108 1.00 0.00 H new ATOM 0 HB3 TRP A 101 -15.980 -3.609 3.688 1.00 0.00 H new ATOM 0 HD1 TRP A 101 -19.420 -2.817 4.927 1.00 0.00 H new ATOM 0 HE1 TRP A 101 -19.427 -2.452 7.488 1.00 0.00 H new ATOM 0 HE3 TRP A 101 -14.371 -2.497 5.652 1.00 0.00 H new ATOM 0 HZ2 TRP A 101 -17.505 -2.080 9.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 101 -13.527 -2.132 7.936 1.00 0.00 H new ATOM 0 HH2 TRP A 101 -15.076 -1.929 9.839 1.00 0.00 H new ATOM 1604 N TRP A 102 -14.168 -2.396 2.248 1.00 0.00 N ATOM 1605 CA TRP A 102 -13.168 -2.740 1.244 1.00 0.00 C ATOM 1606 C TRP A 102 -12.735 -4.196 1.383 1.00 0.00 C ATOM 1607 O TRP A 102 -12.550 -4.694 2.492 1.00 0.00 O ATOM 1608 CB TRP A 102 -11.952 -1.820 1.368 1.00 0.00 C ATOM 1609 CG TRP A 102 -12.126 -0.508 0.665 1.00 0.00 C ATOM 1610 CD1 TRP A 102 -13.249 0.269 0.647 1.00 0.00 C ATOM 1611 CD2 TRP A 102 -11.147 0.179 -0.122 1.00 0.00 C ATOM 1612 NE1 TRP A 102 -13.027 1.398 -0.105 1.00 0.00 N ATOM 1613 CE2 TRP A 102 -11.745 1.367 -0.587 1.00 0.00 C ATOM 1614 CE3 TRP A 102 -9.823 -0.093 -0.478 1.00 0.00 C ATOM 1615 CZ2 TRP A 102 -11.063 2.278 -1.389 1.00 0.00 C ATOM 1616 CZ3 TRP A 102 -9.149 0.812 -1.275 1.00 0.00 C ATOM 1617 CH2 TRP A 102 -9.769 1.986 -1.723 1.00 0.00 C ATOM 0 H TRP A 102 -13.878 -2.572 3.210 1.00 0.00 H new ATOM 0 HA TRP A 102 -13.617 -2.606 0.260 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -11.752 -1.635 2.423 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -11.078 -2.329 0.962 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -14.175 0.031 1.150 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -13.707 2.139 -0.276 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -9.336 -0.994 -0.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -11.539 3.184 -1.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -8.126 0.611 -1.558 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -9.214 2.674 -2.344 1.00 0.00 H new ATOM 1628 N ASN A 103 -12.576 -4.872 0.250 1.00 0.00 N ATOM 1629 CA ASN A 103 -12.166 -6.272 0.247 1.00 0.00 C ATOM 1630 C ASN A 103 -10.645 -6.393 0.255 1.00 0.00 C ATOM 1631 O ASN A 103 -10.097 -7.442 0.594 1.00 0.00 O ATOM 1632 CB ASN A 103 -12.739 -6.991 -0.976 1.00 0.00 C ATOM 1633 CG ASN A 103 -14.152 -7.489 -0.743 1.00 0.00 C ATOM 1634 OD1 ASN A 103 -15.035 -6.726 -0.351 1.00 0.00 O ATOM 1635 ND2 ASN A 103 -14.372 -8.777 -0.985 1.00 0.00 N ATOM 0 H ASN A 103 -12.725 -4.474 -0.677 1.00 0.00 H new ATOM 0 HA ASN A 103 -12.555 -6.740 1.151 1.00 0.00 H new ATOM 0 HB2 ASN A 103 -12.732 -6.313 -1.829 1.00 0.00 H new ATOM 0 HB3 ASN A 103 -12.097 -7.834 -1.233 1.00 0.00 H new ATOM 0 HD21 ASN A 103 -15.303 -9.170 -0.847 1.00 0.00 H new ATOM 0 HD22 ASN A 103 -13.610 -9.373 -1.309 1.00 0.00 H new ATOM 1642 N ARG A 104 -9.969 -5.312 -0.120 1.00 0.00 N ATOM 1643 CA ARG A 104 -8.512 -5.297 -0.157 1.00 0.00 C ATOM 1644 C ARG A 104 -7.990 -3.900 -0.482 1.00 0.00 C ATOM 1645 O ARG A 104 -8.744 -3.032 -0.926 1.00 0.00 O ATOM 1646 CB ARG A 104 -7.996 -6.298 -1.192 1.00 0.00 C ATOM 1647 CG ARG A 104 -8.369 -5.944 -2.622 1.00 0.00 C ATOM 1648 CD ARG A 104 -8.170 -7.125 -3.559 1.00 0.00 C ATOM 1649 NE ARG A 104 -8.989 -7.013 -4.762 1.00 0.00 N ATOM 1650 CZ ARG A 104 -10.317 -7.062 -4.754 1.00 0.00 C ATOM 1651 NH1 ARG A 104 -10.971 -7.219 -3.611 1.00 0.00 N ATOM 1652 NH2 ARG A 104 -10.993 -6.953 -5.891 1.00 0.00 N ATOM 0 H ARG A 104 -10.407 -4.435 -0.402 1.00 0.00 H new ATOM 0 HA ARG A 104 -8.146 -5.583 0.829 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -6.911 -6.361 -1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -8.391 -7.286 -0.957 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.409 -5.621 -2.658 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -7.762 -5.104 -2.960 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -7.119 -7.191 -3.841 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.418 -8.049 -3.036 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.516 -6.890 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -10.455 -7.302 -2.735 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -11.990 -7.256 -3.608 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -10.493 -6.832 -6.772 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -12.012 -6.991 -5.884 1.00 0.00 H new ATOM 1666 N LEU A 105 -6.698 -3.689 -0.257 1.00 0.00 N ATOM 1667 CA LEU A 105 -6.076 -2.397 -0.525 1.00 0.00 C ATOM 1668 C LEU A 105 -5.988 -2.136 -2.026 1.00 0.00 C ATOM 1669 O LEU A 105 -6.489 -1.127 -2.521 1.00 0.00 O ATOM 1670 CB LEU A 105 -4.679 -2.343 0.096 1.00 0.00 C ATOM 1671 CG LEU A 105 -3.795 -1.174 -0.339 1.00 0.00 C ATOM 1672 CD1 LEU A 105 -4.373 0.144 0.153 1.00 0.00 C ATOM 1673 CD2 LEU A 105 -2.374 -1.359 0.172 1.00 0.00 C ATOM 0 H LEU A 105 -6.061 -4.396 0.110 1.00 0.00 H new ATOM 0 HA LEU A 105 -6.697 -1.622 -0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -4.786 -2.307 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -4.161 -3.272 -0.142 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.767 -1.151 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -3.731 0.965 -0.166 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -5.371 0.282 -0.263 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -4.432 0.132 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -1.760 -0.517 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -2.383 -1.409 1.261 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.960 -2.284 -0.231 1.00 0.00 H new ATOM 1685 N VAL A 106 -5.349 -3.054 -2.745 1.00 0.00 N ATOM 1686 CA VAL A 106 -5.199 -2.925 -4.189 1.00 0.00 C ATOM 1687 C VAL A 106 -5.479 -4.249 -4.891 1.00 0.00 C ATOM 1688 O VAL A 106 -5.300 -5.322 -4.314 1.00 0.00 O ATOM 1689 CB VAL A 106 -3.784 -2.447 -4.565 1.00 0.00 C ATOM 1690 CG1 VAL A 106 -3.572 -1.007 -4.125 1.00 0.00 C ATOM 1691 CG2 VAL A 106 -2.733 -3.361 -3.953 1.00 0.00 C ATOM 0 H VAL A 106 -4.927 -3.895 -2.351 1.00 0.00 H new ATOM 0 HA VAL A 106 -5.925 -2.182 -4.518 1.00 0.00 H new ATOM 0 HB VAL A 106 -3.681 -2.489 -5.649 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.567 -0.687 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -4.304 -0.365 -4.616 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -3.693 -0.935 -3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -1.739 -3.009 -4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -2.832 -3.354 -2.868 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.874 -4.376 -4.324 1.00 0.00 H new ATOM 1701 N THR A 107 -5.921 -4.167 -6.143 1.00 0.00 N ATOM 1702 CA THR A 107 -6.227 -5.358 -6.925 1.00 0.00 C ATOM 1703 C THR A 107 -5.122 -6.400 -6.796 1.00 0.00 C ATOM 1704 O THR A 107 -5.378 -7.602 -6.858 1.00 0.00 O ATOM 1705 CB THR A 107 -6.425 -5.017 -8.414 1.00 0.00 C ATOM 1706 OG1 THR A 107 -5.251 -4.380 -8.930 1.00 0.00 O ATOM 1707 CG2 THR A 107 -7.628 -4.106 -8.605 1.00 0.00 C ATOM 0 H THR A 107 -6.075 -3.288 -6.636 1.00 0.00 H new ATOM 0 HA THR A 107 -7.156 -5.767 -6.527 1.00 0.00 H new ATOM 0 HB THR A 107 -6.603 -5.945 -8.957 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.384 -4.168 -9.877 1.00 0.00 H new ATOM 0 HG21 THR A 107 -7.748 -3.879 -9.664 1.00 0.00 H new ATOM 0 HG22 THR A 107 -8.524 -4.605 -8.237 1.00 0.00 H new ATOM 0 HG23 THR A 107 -7.475 -3.180 -8.050 1.00 0.00 H new ATOM 1715 N SER A 108 -3.891 -5.931 -6.616 1.00 0.00 N ATOM 1716 CA SER A 108 -2.745 -6.823 -6.481 1.00 0.00 C ATOM 1717 C SER A 108 -2.816 -7.604 -5.173 1.00 0.00 C ATOM 1718 O SER A 108 -2.502 -8.794 -5.130 1.00 0.00 O ATOM 1719 CB SER A 108 -1.441 -6.025 -6.542 1.00 0.00 C ATOM 1720 OG SER A 108 -0.346 -6.802 -6.089 1.00 0.00 O ATOM 0 H SER A 108 -3.662 -4.939 -6.560 1.00 0.00 H new ATOM 0 HA SER A 108 -2.768 -7.532 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.259 -5.697 -7.565 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.531 -5.127 -5.931 1.00 0.00 H new ATOM 0 HG SER A 108 0.476 -6.270 -6.139 1.00 0.00 H new ATOM 1726 N ASP A 109 -3.230 -6.926 -4.108 1.00 0.00 N ATOM 1727 CA ASP A 109 -3.343 -7.556 -2.798 1.00 0.00 C ATOM 1728 C ASP A 109 -4.403 -8.653 -2.811 1.00 0.00 C ATOM 1729 O ASP A 109 -5.275 -8.697 -3.680 1.00 0.00 O ATOM 1730 CB ASP A 109 -3.686 -6.511 -1.734 1.00 0.00 C ATOM 1731 CG ASP A 109 -2.450 -5.894 -1.109 1.00 0.00 C ATOM 1732 OD1 ASP A 109 -1.600 -6.655 -0.601 1.00 0.00 O ATOM 1733 OD2 ASP A 109 -2.334 -4.651 -1.127 1.00 0.00 O ATOM 0 H ASP A 109 -3.493 -5.941 -4.126 1.00 0.00 H new ATOM 0 HA ASP A 109 -2.381 -8.008 -2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -4.293 -5.725 -2.183 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -4.291 -6.975 -0.955 1.00 0.00 H new ATOM 1738 N PRO A 110 -4.329 -9.561 -1.827 1.00 0.00 N ATOM 1739 CA PRO A 110 -5.274 -10.675 -1.704 1.00 0.00 C ATOM 1740 C PRO A 110 -6.669 -10.209 -1.302 1.00 0.00 C ATOM 1741 O PRO A 110 -6.860 -9.060 -0.907 1.00 0.00 O ATOM 1742 CB PRO A 110 -4.660 -11.540 -0.601 1.00 0.00 C ATOM 1743 CG PRO A 110 -3.839 -10.597 0.208 1.00 0.00 C ATOM 1744 CD PRO A 110 -3.317 -9.570 -0.758 1.00 0.00 C ATOM 0 HA PRO A 110 -5.411 -11.200 -2.649 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.432 -12.014 0.006 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -4.048 -12.339 -1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -4.438 -10.129 0.989 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -3.020 -11.119 0.704 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -3.219 -8.591 -0.289 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -2.332 -9.841 -1.139 1.00 0.00 H new ATOM 1752 N GLU A 111 -7.641 -11.110 -1.407 1.00 0.00 N ATOM 1753 CA GLU A 111 -9.019 -10.790 -1.054 1.00 0.00 C ATOM 1754 C GLU A 111 -9.368 -11.337 0.328 1.00 0.00 C ATOM 1755 O GLU A 111 -8.949 -12.434 0.696 1.00 0.00 O ATOM 1756 CB GLU A 111 -9.982 -11.360 -2.098 1.00 0.00 C ATOM 1757 CG GLU A 111 -10.078 -10.520 -3.360 1.00 0.00 C ATOM 1758 CD GLU A 111 -11.179 -10.989 -4.291 1.00 0.00 C ATOM 1759 OE1 GLU A 111 -12.328 -11.135 -3.825 1.00 0.00 O ATOM 1760 OE2 GLU A 111 -10.891 -11.209 -5.486 1.00 0.00 O ATOM 0 H GLU A 111 -7.500 -12.066 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 111 -9.119 -9.705 -1.032 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -9.660 -12.367 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -10.974 -11.449 -1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -10.257 -9.480 -3.087 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -9.124 -10.552 -3.886 1.00 0.00 H new ATOM 1767 N ILE A 112 -10.137 -10.563 1.087 1.00 0.00 N ATOM 1768 CA ILE A 112 -10.543 -10.969 2.426 1.00 0.00 C ATOM 1769 C ILE A 112 -12.042 -10.774 2.630 1.00 0.00 C ATOM 1770 O ILE A 112 -12.598 -9.739 2.267 1.00 0.00 O ATOM 1771 CB ILE A 112 -9.782 -10.180 3.508 1.00 0.00 C ATOM 1772 CG1 ILE A 112 -9.918 -8.675 3.263 1.00 0.00 C ATOM 1773 CG2 ILE A 112 -8.317 -10.588 3.530 1.00 0.00 C ATOM 1774 CD1 ILE A 112 -9.627 -7.835 4.487 1.00 0.00 C ATOM 0 H ILE A 112 -10.491 -9.651 0.797 1.00 0.00 H new ATOM 0 HA ILE A 112 -10.301 -12.028 2.521 1.00 0.00 H new ATOM 0 HB ILE A 112 -10.218 -10.412 4.480 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -9.239 -8.383 2.462 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -10.929 -8.461 2.918 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -7.793 -10.021 4.300 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -8.239 -11.653 3.747 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -7.867 -10.382 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -9.743 -6.780 4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -10.322 -8.100 5.284 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -8.606 -8.020 4.821 1.00 0.00 H new ATOM 1786 N ASN A 113 -12.689 -11.777 3.214 1.00 0.00 N ATOM 1787 CA ASN A 113 -14.124 -11.715 3.467 1.00 0.00 C ATOM 1788 C ASN A 113 -14.453 -10.614 4.470 1.00 0.00 C ATOM 1789 O ASN A 113 -13.976 -10.629 5.606 1.00 0.00 O ATOM 1790 CB ASN A 113 -14.629 -13.062 3.989 1.00 0.00 C ATOM 1791 CG ASN A 113 -16.143 -13.152 3.988 1.00 0.00 C ATOM 1792 OD1 ASN A 113 -16.752 -13.558 2.999 1.00 0.00 O ATOM 1793 ND2 ASN A 113 -16.758 -12.771 5.102 1.00 0.00 N ATOM 0 H ASN A 113 -12.243 -12.642 3.521 1.00 0.00 H new ATOM 0 HA ASN A 113 -14.624 -11.486 2.526 1.00 0.00 H new ATOM 0 HB2 ASN A 113 -14.220 -13.863 3.374 1.00 0.00 H new ATOM 0 HB3 ASN A 113 -14.259 -13.218 5.002 1.00 0.00 H new ATOM 0 HD21 ASN A 113 -17.776 -12.809 5.161 1.00 0.00 H new ATOM 0 HD22 ASN A 113 -16.213 -12.441 5.898 1.00 0.00 H new ATOM 1800 N THR A 114 -15.272 -9.657 4.044 1.00 0.00 N ATOM 1801 CA THR A 114 -15.664 -8.548 4.903 1.00 0.00 C ATOM 1802 C THR A 114 -16.953 -8.863 5.654 1.00 0.00 C ATOM 1803 O THR A 114 -17.070 -8.590 6.849 1.00 0.00 O ATOM 1804 CB THR A 114 -15.859 -7.252 4.094 1.00 0.00 C ATOM 1805 OG1 THR A 114 -16.919 -7.420 3.146 1.00 0.00 O ATOM 1806 CG2 THR A 114 -14.578 -6.871 3.366 1.00 0.00 C ATOM 0 H THR A 114 -15.677 -9.629 3.108 1.00 0.00 H new ATOM 0 HA THR A 114 -14.855 -8.402 5.619 1.00 0.00 H new ATOM 0 HB THR A 114 -16.116 -6.452 4.788 1.00 0.00 H new ATOM 0 HG1 THR A 114 -17.037 -6.591 2.637 1.00 0.00 H new ATOM 0 HG21 THR A 114 -14.740 -5.953 2.801 1.00 0.00 H new ATOM 0 HG22 THR A 114 -13.780 -6.715 4.092 1.00 0.00 H new ATOM 0 HG23 THR A 114 -14.296 -7.672 2.683 1.00 0.00 H new ATOM 1814 N LYS A 115 -17.918 -9.439 4.946 1.00 0.00 N ATOM 1815 CA LYS A 115 -19.199 -9.794 5.546 1.00 0.00 C ATOM 1816 C LYS A 115 -19.003 -10.393 6.935 1.00 0.00 C ATOM 1817 O LYS A 115 -18.067 -11.158 7.164 1.00 0.00 O ATOM 1818 CB LYS A 115 -19.947 -10.787 4.652 1.00 0.00 C ATOM 1819 CG LYS A 115 -21.458 -10.697 4.775 1.00 0.00 C ATOM 1820 CD LYS A 115 -22.140 -11.905 4.155 1.00 0.00 C ATOM 1821 CE LYS A 115 -22.079 -13.114 5.077 1.00 0.00 C ATOM 1822 NZ LYS A 115 -22.866 -12.900 6.323 1.00 0.00 N ATOM 0 H LYS A 115 -17.838 -9.670 3.956 1.00 0.00 H new ATOM 0 HA LYS A 115 -19.791 -8.884 5.643 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -19.664 -10.613 3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -19.630 -11.799 4.903 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -21.735 -10.622 5.827 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -21.810 -9.788 4.287 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -23.181 -11.665 3.937 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -21.663 -12.146 3.205 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -22.460 -13.990 4.553 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -21.041 -13.323 5.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -23.115 -13.820 6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -22.298 -12.356 7.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -23.735 -12.375 6.099 1.00 0.00 H new ATOM 1836 N SER A 116 -19.892 -10.040 7.858 1.00 0.00 N ATOM 1837 CA SER A 116 -19.815 -10.541 9.225 1.00 0.00 C ATOM 1838 C SER A 116 -21.166 -10.424 9.923 1.00 0.00 C ATOM 1839 O SER A 116 -22.072 -9.747 9.439 1.00 0.00 O ATOM 1840 CB SER A 116 -18.752 -9.772 10.013 1.00 0.00 C ATOM 1841 OG SER A 116 -18.423 -10.445 11.216 1.00 0.00 O ATOM 0 H SER A 116 -20.674 -9.409 7.684 1.00 0.00 H new ATOM 0 HA SER A 116 -19.536 -11.594 9.185 1.00 0.00 H new ATOM 0 HB2 SER A 116 -17.857 -9.654 9.402 1.00 0.00 H new ATOM 0 HB3 SER A 116 -19.117 -8.771 10.241 1.00 0.00 H new ATOM 0 HG SER A 116 -17.741 -9.935 11.700 1.00 0.00 H new ATOM 1847 N GLY A 117 -21.293 -11.090 11.067 1.00 0.00 N ATOM 1848 CA GLY A 117 -22.536 -11.049 11.815 1.00 0.00 C ATOM 1849 C GLY A 117 -22.520 -11.971 13.018 1.00 0.00 C ATOM 1850 O GLY A 117 -21.474 -12.476 13.426 1.00 0.00 O ATOM 0 H GLY A 117 -20.557 -11.657 11.489 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -22.723 -10.028 12.146 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -23.361 -11.327 11.159 1.00 0.00 H new ATOM 1854 N PRO A 118 -23.702 -12.201 13.608 1.00 0.00 N ATOM 1855 CA PRO A 118 -23.846 -13.069 14.781 1.00 0.00 C ATOM 1856 C PRO A 118 -23.616 -14.539 14.447 1.00 0.00 C ATOM 1857 O PRO A 118 -23.652 -15.398 15.327 1.00 0.00 O ATOM 1858 CB PRO A 118 -25.296 -12.840 15.216 1.00 0.00 C ATOM 1859 CG PRO A 118 -26.000 -12.408 13.976 1.00 0.00 C ATOM 1860 CD PRO A 118 -24.990 -11.633 13.176 1.00 0.00 C ATOM 0 HA PRO A 118 -23.113 -12.835 15.553 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -25.735 -13.750 15.624 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -25.361 -12.079 15.993 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -26.366 -13.268 13.415 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -26.866 -11.791 14.214 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -25.145 -11.758 12.104 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -25.048 -10.565 13.384 1.00 0.00 H new ATOM 1868 N SER A 119 -23.379 -14.820 13.169 1.00 0.00 N ATOM 1869 CA SER A 119 -23.146 -16.187 12.718 1.00 0.00 C ATOM 1870 C SER A 119 -22.169 -16.906 13.644 1.00 0.00 C ATOM 1871 O SER A 119 -20.997 -16.542 13.731 1.00 0.00 O ATOM 1872 CB SER A 119 -22.605 -16.189 11.287 1.00 0.00 C ATOM 1873 OG SER A 119 -23.601 -15.783 10.365 1.00 0.00 O ATOM 0 H SER A 119 -23.343 -14.119 12.428 1.00 0.00 H new ATOM 0 HA SER A 119 -24.098 -16.718 12.740 1.00 0.00 H new ATOM 0 HB2 SER A 119 -21.747 -15.520 11.218 1.00 0.00 H new ATOM 0 HB3 SER A 119 -22.252 -17.188 11.030 1.00 0.00 H new ATOM 0 HG SER A 119 -23.230 -15.791 9.458 1.00 0.00 H new ATOM 1879 N SER A 120 -22.662 -17.929 14.335 1.00 0.00 N ATOM 1880 CA SER A 120 -21.835 -18.698 15.258 1.00 0.00 C ATOM 1881 C SER A 120 -20.919 -19.654 14.499 1.00 0.00 C ATOM 1882 O SER A 120 -21.287 -20.184 13.452 1.00 0.00 O ATOM 1883 CB SER A 120 -22.716 -19.482 16.232 1.00 0.00 C ATOM 1884 OG SER A 120 -21.929 -20.260 17.118 1.00 0.00 O ATOM 0 H SER A 120 -23.630 -18.245 14.273 1.00 0.00 H new ATOM 0 HA SER A 120 -21.216 -18.000 15.821 1.00 0.00 H new ATOM 0 HB2 SER A 120 -23.337 -18.791 16.803 1.00 0.00 H new ATOM 0 HB3 SER A 120 -23.391 -20.131 15.675 1.00 0.00 H new ATOM 0 HG SER A 120 -22.515 -20.750 17.732 1.00 0.00 H new ATOM 1890 N GLY A 121 -19.723 -19.869 15.038 1.00 0.00 N ATOM 1891 CA GLY A 121 -18.772 -20.761 14.399 1.00 0.00 C ATOM 1892 C GLY A 121 -17.358 -20.214 14.423 1.00 0.00 C ATOM 1893 O GLY A 121 -17.133 -19.075 14.834 1.00 0.00 O ATOM 0 H GLY A 121 -19.395 -19.442 15.905 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -18.793 -21.729 14.900 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -19.075 -20.931 13.366 1.00 0.00 H new TER 1897 GLY A 121