USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 505 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 MET CE :methyl -140:sc= 0 (180deg=-0.275) USER MOD Set 1.2: A 53 SER OG : rot -130:sc= -2.9! USER MOD Set 2.1: A 34 SER OG : rot -67:sc= 1.17 USER MOD Set 2.2: A 37 GLN : amide:sc= 0.392 K(o=1.6,f=-6.9!) USER MOD Set 3.1: A 13 SER OG : rot 180:sc= 0.0313 USER MOD Set 3.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 8 SER OG : rot -92:sc= 0.339 USER MOD Set 4.2: A 10 GLN : amide:sc= 0.497 K(o=0.84,f=-3.6!) USER MOD Set 4.3: A 11 GLN : amide:sc= 0 X(o=0.84,f=0.84) USER MOD Single : A 5 HIS : no HD1:sc= -0.454 X(o=-0.45,f=-0.38) USER MOD Single : A 14 HIS : no HD1:sc= -1.31 X(o=-1.3,f=-1.4) USER MOD Single : A 20 SER OG : rot -39:sc= 0.519 USER MOD Single : A 23 GLN : amide:sc= -0.315 X(o=-0.32,f=-0.091) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0.0697 USER MOD Single : A 31 GLN : amide:sc= -1.23 K(o=-1.2,f=-5.2!) USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 40 GLN : amide:sc= -2.12 K(o=-2.1,f=-0.13) USER MOD Single : A 44 ASN : amide:sc= 1.12 K(o=1.1,f=-0.22) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -163:sc= -0.0105 (180deg=-0.17) USER MOD Single : A 52 THR OG1 : rot 4:sc= 0.853 USER MOD Single : A 54 SER OG : rot 180:sc= 0.0515 USER MOD Single : A 55 GLN : amide:sc= -2.53! K(o=-2.5!,f=-0.6) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0601) USER MOD Single : A 63 LYS NZ :NH3+ -134:sc= -0.396 (180deg=-2.82!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 44 N VAL A 4 10.687 -0.176 -1.939 1.00 0.00 N ATOM 45 CA VAL A 4 9.450 -0.954 -1.983 1.00 0.00 C ATOM 46 C VAL A 4 9.524 -2.136 -2.936 1.00 0.00 C ATOM 47 O VAL A 4 8.900 -3.161 -2.709 1.00 0.00 O ATOM 48 CB VAL A 4 8.228 -0.075 -2.317 1.00 0.00 C ATOM 49 CG1 VAL A 4 8.246 1.126 -1.452 1.00 0.00 C ATOM 50 CG2 VAL A 4 8.197 0.346 -3.756 1.00 0.00 C ATOM 0 HA VAL A 4 9.324 -1.355 -0.977 1.00 0.00 H new ATOM 0 HB VAL A 4 7.333 -0.671 -2.136 1.00 0.00 H new ATOM 0 HG11 VAL A 4 7.385 1.753 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.204 0.822 -0.406 1.00 0.00 H new ATOM 0 HG13 VAL A 4 9.162 1.689 -1.630 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.316 0.963 -3.936 1.00 0.00 H new ATOM 0 HG22 VAL A 4 9.095 0.920 -3.987 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.157 -0.538 -4.393 1.00 0.00 H new ATOM 60 N HIS A 5 10.307 -2.006 -3.984 1.00 0.00 N ATOM 61 CA HIS A 5 10.465 -3.078 -4.959 1.00 0.00 C ATOM 62 C HIS A 5 11.211 -4.271 -4.345 1.00 0.00 C ATOM 63 O HIS A 5 11.172 -5.384 -4.863 1.00 0.00 O ATOM 64 CB HIS A 5 11.163 -2.571 -6.244 1.00 0.00 C ATOM 65 CG HIS A 5 12.401 -1.770 -6.006 1.00 0.00 C ATOM 66 ND1 HIS A 5 12.411 -0.405 -6.009 1.00 0.00 N ATOM 67 CD2 HIS A 5 13.668 -2.150 -5.714 1.00 0.00 C ATOM 68 CE1 HIS A 5 13.624 0.005 -5.718 1.00 0.00 C ATOM 69 NE2 HIS A 5 14.444 -1.012 -5.532 1.00 0.00 N ATOM 0 H HIS A 5 10.849 -1.167 -4.189 1.00 0.00 H new ATOM 0 HA HIS A 5 9.471 -3.421 -5.245 1.00 0.00 H new ATOM 0 HB2 HIS A 5 11.416 -3.429 -6.867 1.00 0.00 H new ATOM 0 HB3 HIS A 5 10.456 -1.964 -6.810 1.00 0.00 H new ATOM 0 HD2 HIS A 5 14.017 -3.169 -5.636 1.00 0.00 H new ATOM 0 HE1 HIS A 5 13.914 1.043 -5.641 1.00 0.00 H new ATOM 0 HE2 HIS A 5 15.437 -0.971 -5.303 1.00 0.00 H new ATOM 77 N GLU A 6 11.853 -4.023 -3.216 1.00 0.00 N ATOM 78 CA GLU A 6 12.604 -5.028 -2.482 1.00 0.00 C ATOM 79 C GLU A 6 11.672 -5.775 -1.545 1.00 0.00 C ATOM 80 O GLU A 6 12.026 -6.815 -0.990 1.00 0.00 O ATOM 81 CB GLU A 6 13.681 -4.336 -1.654 1.00 0.00 C ATOM 82 CG GLU A 6 14.687 -3.550 -2.474 1.00 0.00 C ATOM 83 CD GLU A 6 15.632 -4.443 -3.208 1.00 0.00 C ATOM 84 OE1 GLU A 6 15.335 -4.852 -4.345 1.00 0.00 O ATOM 85 OE2 GLU A 6 16.694 -4.753 -2.659 1.00 0.00 O ATOM 0 H GLU A 6 11.867 -3.103 -2.776 1.00 0.00 H new ATOM 0 HA GLU A 6 13.058 -5.728 -3.184 1.00 0.00 H new ATOM 0 HB2 GLU A 6 13.201 -3.662 -0.945 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.213 -5.087 -1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 6 14.158 -2.918 -3.187 1.00 0.00 H new ATOM 0 HG3 GLU A 6 15.251 -2.887 -1.817 1.00 0.00 H new ATOM 92 N TRP A 7 10.475 -5.251 -1.379 1.00 0.00 N ATOM 93 CA TRP A 7 9.525 -5.821 -0.461 1.00 0.00 C ATOM 94 C TRP A 7 8.859 -7.027 -1.052 1.00 0.00 C ATOM 95 O TRP A 7 8.581 -7.085 -2.253 1.00 0.00 O ATOM 96 CB TRP A 7 8.490 -4.790 0.003 1.00 0.00 C ATOM 97 CG TRP A 7 9.099 -3.615 0.706 1.00 0.00 C ATOM 98 CD1 TRP A 7 10.366 -3.516 1.198 1.00 0.00 C ATOM 99 CD2 TRP A 7 8.458 -2.387 1.025 1.00 0.00 C ATOM 100 NE1 TRP A 7 10.559 -2.290 1.741 1.00 0.00 N ATOM 101 CE2 TRP A 7 9.407 -1.581 1.666 1.00 0.00 C ATOM 102 CE3 TRP A 7 7.183 -1.883 0.818 1.00 0.00 C ATOM 103 CZ2 TRP A 7 9.126 -0.303 2.103 1.00 0.00 C ATOM 104 CZ3 TRP A 7 6.902 -0.611 1.256 1.00 0.00 C ATOM 105 CH2 TRP A 7 7.871 0.167 1.893 1.00 0.00 C ATOM 0 H TRP A 7 10.140 -4.425 -1.875 1.00 0.00 H new ATOM 0 HA TRP A 7 10.080 -6.141 0.421 1.00 0.00 H new ATOM 0 HB2 TRP A 7 7.927 -4.436 -0.861 1.00 0.00 H new ATOM 0 HB3 TRP A 7 7.778 -5.275 0.671 1.00 0.00 H new ATOM 0 HD1 TRP A 7 11.108 -4.300 1.161 1.00 0.00 H new ATOM 0 HE1 TRP A 7 11.434 -1.954 2.143 1.00 0.00 H new ATOM 0 HE3 TRP A 7 6.428 -2.476 0.324 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 9.876 0.300 2.593 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 5.913 -0.205 1.105 1.00 0.00 H new ATOM 0 HH2 TRP A 7 7.616 1.163 2.225 1.00 0.00 H new ATOM 116 N SER A 8 8.640 -7.979 -0.209 1.00 0.00 N ATOM 117 CA SER A 8 8.050 -9.223 -0.544 1.00 0.00 C ATOM 118 C SER A 8 6.551 -9.175 -0.380 1.00 0.00 C ATOM 119 O SER A 8 5.801 -8.982 -1.322 1.00 0.00 O ATOM 120 CB SER A 8 8.628 -10.224 0.425 1.00 0.00 C ATOM 121 OG SER A 8 8.999 -9.547 1.643 1.00 0.00 O ATOM 0 H SER A 8 8.881 -7.903 0.779 1.00 0.00 H new ATOM 0 HA SER A 8 8.254 -9.482 -1.583 1.00 0.00 H new ATOM 0 HB2 SER A 8 7.898 -11.005 0.637 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.499 -10.711 -0.014 1.00 0.00 H new ATOM 0 HG SER A 8 9.937 -9.268 1.590 1.00 0.00 H new ATOM 127 N VAL A 9 6.154 -9.326 0.842 1.00 0.00 N ATOM 128 CA VAL A 9 4.764 -9.360 1.234 1.00 0.00 C ATOM 129 C VAL A 9 4.615 -8.666 2.568 1.00 0.00 C ATOM 130 O VAL A 9 3.979 -7.647 2.677 1.00 0.00 O ATOM 131 CB VAL A 9 4.246 -10.839 1.359 1.00 0.00 C ATOM 132 CG1 VAL A 9 2.867 -10.890 1.977 1.00 0.00 C ATOM 133 CG2 VAL A 9 4.216 -11.532 0.007 1.00 0.00 C ATOM 0 H VAL A 9 6.799 -9.433 1.625 1.00 0.00 H new ATOM 0 HA VAL A 9 4.174 -8.854 0.470 1.00 0.00 H new ATOM 0 HB VAL A 9 4.946 -11.363 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.539 -11.927 2.049 1.00 0.00 H new ATOM 0 HG12 VAL A 9 2.898 -10.449 2.973 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.168 -10.331 1.355 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.853 -12.553 0.129 1.00 0.00 H new ATOM 0 HG22 VAL A 9 3.552 -10.989 -0.666 1.00 0.00 H new ATOM 0 HG23 VAL A 9 5.221 -11.552 -0.414 1.00 0.00 H new ATOM 143 N GLN A 10 5.280 -9.190 3.562 1.00 0.00 N ATOM 144 CA GLN A 10 5.155 -8.683 4.913 1.00 0.00 C ATOM 145 C GLN A 10 5.880 -7.347 5.096 1.00 0.00 C ATOM 146 O GLN A 10 5.705 -6.660 6.094 1.00 0.00 O ATOM 147 CB GLN A 10 5.600 -9.741 5.940 1.00 0.00 C ATOM 148 CG GLN A 10 7.099 -10.042 6.044 1.00 0.00 C ATOM 149 CD GLN A 10 7.721 -10.602 4.783 1.00 0.00 C ATOM 150 OE1 GLN A 10 7.062 -11.245 3.966 1.00 0.00 O ATOM 151 NE2 GLN A 10 8.982 -10.404 4.634 1.00 0.00 N ATOM 0 H GLN A 10 5.922 -9.977 3.465 1.00 0.00 H new ATOM 0 HA GLN A 10 4.100 -8.479 5.095 1.00 0.00 H new ATOM 0 HB2 GLN A 10 5.252 -9.422 6.923 1.00 0.00 H new ATOM 0 HB3 GLN A 10 5.086 -10.673 5.707 1.00 0.00 H new ATOM 0 HG2 GLN A 10 7.622 -9.125 6.314 1.00 0.00 H new ATOM 0 HG3 GLN A 10 7.258 -10.751 6.857 1.00 0.00 H new ATOM 0 HE21 GLN A 10 9.500 -9.867 5.329 1.00 0.00 H new ATOM 0 HE22 GLN A 10 9.465 -10.784 3.820 1.00 0.00 H new ATOM 160 N GLN A 11 6.673 -6.978 4.111 1.00 0.00 N ATOM 161 CA GLN A 11 7.355 -5.708 4.149 1.00 0.00 C ATOM 162 C GLN A 11 6.485 -4.581 3.588 1.00 0.00 C ATOM 163 O GLN A 11 6.721 -3.418 3.877 1.00 0.00 O ATOM 164 CB GLN A 11 8.712 -5.750 3.449 1.00 0.00 C ATOM 165 CG GLN A 11 9.752 -6.622 4.123 1.00 0.00 C ATOM 166 CD GLN A 11 11.162 -6.309 3.647 1.00 0.00 C ATOM 167 OE1 GLN A 11 11.848 -5.460 4.228 1.00 0.00 O ATOM 168 NE2 GLN A 11 11.618 -6.979 2.617 1.00 0.00 N ATOM 0 H GLN A 11 6.858 -7.539 3.279 1.00 0.00 H new ATOM 0 HA GLN A 11 7.544 -5.496 5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 11 8.567 -6.105 2.429 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.100 -4.734 3.380 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.696 -6.483 5.203 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.528 -7.670 3.925 1.00 0.00 H new ATOM 0 HE21 GLN A 11 11.028 -7.673 2.159 1.00 0.00 H new ATOM 0 HE22 GLN A 11 12.563 -6.806 2.274 1.00 0.00 H new ATOM 177 N VAL A 12 5.436 -4.937 2.841 1.00 0.00 N ATOM 178 CA VAL A 12 4.548 -3.933 2.224 1.00 0.00 C ATOM 179 C VAL A 12 3.721 -3.254 3.325 1.00 0.00 C ATOM 180 O VAL A 12 3.283 -2.100 3.204 1.00 0.00 O ATOM 181 CB VAL A 12 3.588 -4.596 1.167 1.00 0.00 C ATOM 182 CG1 VAL A 12 2.356 -5.253 1.792 1.00 0.00 C ATOM 183 CG2 VAL A 12 3.197 -3.621 0.080 1.00 0.00 C ATOM 0 H VAL A 12 5.177 -5.904 2.647 1.00 0.00 H new ATOM 0 HA VAL A 12 5.160 -3.195 1.705 1.00 0.00 H new ATOM 0 HB VAL A 12 4.163 -5.402 0.710 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.739 -5.690 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.672 -6.035 2.483 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.779 -4.503 2.333 1.00 0.00 H new ATOM 0 HG21 VAL A 12 2.534 -4.115 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.683 -2.768 0.524 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.092 -3.276 -0.438 1.00 0.00 H new ATOM 193 N SER A 13 3.573 -3.973 4.415 1.00 0.00 N ATOM 194 CA SER A 13 2.792 -3.566 5.526 1.00 0.00 C ATOM 195 C SER A 13 3.449 -2.396 6.271 1.00 0.00 C ATOM 196 O SER A 13 2.752 -1.568 6.864 1.00 0.00 O ATOM 197 CB SER A 13 2.628 -4.781 6.420 1.00 0.00 C ATOM 198 OG SER A 13 2.639 -5.965 5.597 1.00 0.00 O ATOM 0 H SER A 13 4.014 -4.884 4.541 1.00 0.00 H new ATOM 0 HA SER A 13 1.818 -3.202 5.200 1.00 0.00 H new ATOM 0 HB2 SER A 13 3.434 -4.823 7.153 1.00 0.00 H new ATOM 0 HB3 SER A 13 1.693 -4.717 6.977 1.00 0.00 H new ATOM 0 HG SER A 13 2.535 -6.758 6.163 1.00 0.00 H new ATOM 204 N HIS A 14 4.783 -2.292 6.171 1.00 0.00 N ATOM 205 CA HIS A 14 5.536 -1.249 6.875 1.00 0.00 C ATOM 206 C HIS A 14 5.132 0.120 6.368 1.00 0.00 C ATOM 207 O HIS A 14 4.979 1.056 7.156 1.00 0.00 O ATOM 208 CB HIS A 14 7.059 -1.441 6.738 1.00 0.00 C ATOM 209 CG HIS A 14 7.567 -2.788 7.186 1.00 0.00 C ATOM 210 ND1 HIS A 14 7.121 -3.457 8.309 1.00 0.00 N ATOM 211 CD2 HIS A 14 8.474 -3.605 6.609 1.00 0.00 C ATOM 212 CE1 HIS A 14 7.747 -4.628 8.372 1.00 0.00 C ATOM 213 NE2 HIS A 14 8.586 -4.771 7.359 1.00 0.00 N ATOM 0 H HIS A 14 5.360 -2.918 5.609 1.00 0.00 H new ATOM 0 HA HIS A 14 5.292 -1.329 7.934 1.00 0.00 H new ATOM 0 HB2 HIS A 14 7.338 -1.291 5.695 1.00 0.00 H new ATOM 0 HB3 HIS A 14 7.563 -0.667 7.317 1.00 0.00 H new ATOM 0 HD2 HIS A 14 9.026 -3.387 5.707 1.00 0.00 H new ATOM 0 HE1 HIS A 14 7.592 -5.364 9.147 1.00 0.00 H new ATOM 0 HE2 HIS A 14 9.190 -5.571 7.168 1.00 0.00 H new ATOM 221 N TRP A 15 4.924 0.214 5.058 1.00 0.00 N ATOM 222 CA TRP A 15 4.467 1.439 4.431 1.00 0.00 C ATOM 223 C TRP A 15 3.085 1.785 4.934 1.00 0.00 C ATOM 224 O TRP A 15 2.895 2.850 5.503 1.00 0.00 O ATOM 225 CB TRP A 15 4.492 1.305 2.890 1.00 0.00 C ATOM 226 CG TRP A 15 3.672 2.329 2.138 1.00 0.00 C ATOM 227 CD1 TRP A 15 3.941 3.659 1.952 1.00 0.00 C ATOM 228 CD2 TRP A 15 2.445 2.072 1.450 1.00 0.00 C ATOM 229 NE1 TRP A 15 2.924 4.242 1.215 1.00 0.00 N ATOM 230 CE2 TRP A 15 2.003 3.284 0.891 1.00 0.00 C ATOM 231 CE3 TRP A 15 1.673 0.930 1.259 1.00 0.00 C ATOM 232 CZ2 TRP A 15 0.818 3.373 0.160 1.00 0.00 C ATOM 233 CZ3 TRP A 15 0.513 1.033 0.526 1.00 0.00 C ATOM 234 CH2 TRP A 15 0.103 2.237 -0.003 1.00 0.00 C ATOM 0 H TRP A 15 5.069 -0.558 4.407 1.00 0.00 H new ATOM 0 HA TRP A 15 5.142 2.252 4.698 1.00 0.00 H new ATOM 0 HB2 TRP A 15 5.526 1.374 2.553 1.00 0.00 H new ATOM 0 HB3 TRP A 15 4.135 0.311 2.623 1.00 0.00 H new ATOM 0 HD1 TRP A 15 4.814 4.175 2.324 1.00 0.00 H new ATOM 0 HE1 TRP A 15 2.870 5.227 0.956 1.00 0.00 H new ATOM 0 HE3 TRP A 15 1.978 -0.018 1.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 0.485 4.311 -0.259 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -0.089 0.151 0.362 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -0.818 2.275 -0.565 1.00 0.00 H new ATOM 245 N LEU A 16 2.151 0.843 4.781 1.00 0.00 N ATOM 246 CA LEU A 16 0.741 1.003 5.171 1.00 0.00 C ATOM 247 C LEU A 16 0.587 1.563 6.576 1.00 0.00 C ATOM 248 O LEU A 16 -0.133 2.532 6.784 1.00 0.00 O ATOM 249 CB LEU A 16 0.033 -0.336 5.079 1.00 0.00 C ATOM 250 CG LEU A 16 -0.203 -0.890 3.665 1.00 0.00 C ATOM 251 CD1 LEU A 16 -0.500 -2.360 3.708 1.00 0.00 C ATOM 252 CD2 LEU A 16 -1.378 -0.191 3.017 1.00 0.00 C ATOM 0 H LEU A 16 2.354 -0.071 4.375 1.00 0.00 H new ATOM 0 HA LEU A 16 0.292 1.719 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 16 0.614 -1.068 5.640 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -0.933 -0.246 5.576 1.00 0.00 H new ATOM 0 HG LEU A 16 0.706 -0.716 3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.663 -2.728 2.695 1.00 0.00 H new ATOM 0 HD12 LEU A 16 0.342 -2.888 4.155 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -1.395 -2.533 4.305 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -1.534 -0.593 2.016 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.274 -0.353 3.617 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.174 0.878 2.951 1.00 0.00 H new ATOM 264 N VAL A 17 1.296 0.986 7.519 1.00 0.00 N ATOM 265 CA VAL A 17 1.228 1.403 8.918 1.00 0.00 C ATOM 266 C VAL A 17 1.672 2.875 9.090 1.00 0.00 C ATOM 267 O VAL A 17 1.171 3.583 9.970 1.00 0.00 O ATOM 268 CB VAL A 17 2.096 0.474 9.803 1.00 0.00 C ATOM 269 CG1 VAL A 17 2.109 0.910 11.267 1.00 0.00 C ATOM 270 CG2 VAL A 17 1.634 -0.963 9.697 1.00 0.00 C ATOM 0 H VAL A 17 1.939 0.213 7.347 1.00 0.00 H new ATOM 0 HA VAL A 17 0.189 1.326 9.238 1.00 0.00 H new ATOM 0 HB VAL A 17 3.116 0.551 9.426 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.731 0.226 11.845 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.513 1.920 11.342 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.092 0.895 11.660 1.00 0.00 H new ATOM 0 HG21 VAL A 17 2.260 -1.594 10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 17 0.597 -1.037 10.025 1.00 0.00 H new ATOM 0 HG23 VAL A 17 1.712 -1.295 8.662 1.00 0.00 H new ATOM 280 N GLY A 18 2.521 3.342 8.190 1.00 0.00 N ATOM 281 CA GLY A 18 3.067 4.679 8.285 1.00 0.00 C ATOM 282 C GLY A 18 2.042 5.726 7.937 1.00 0.00 C ATOM 283 O GLY A 18 2.080 6.853 8.447 1.00 0.00 O ATOM 0 H GLY A 18 2.846 2.810 7.383 1.00 0.00 H new ATOM 0 HA2 GLY A 18 3.434 4.851 9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.923 4.771 7.616 1.00 0.00 H new ATOM 287 N LEU A 19 1.102 5.362 7.089 1.00 0.00 N ATOM 288 CA LEU A 19 0.057 6.288 6.703 1.00 0.00 C ATOM 289 C LEU A 19 -1.267 5.930 7.355 1.00 0.00 C ATOM 290 O LEU A 19 -2.301 6.392 6.922 1.00 0.00 O ATOM 291 CB LEU A 19 -0.115 6.404 5.167 1.00 0.00 C ATOM 292 CG LEU A 19 -0.351 5.120 4.377 1.00 0.00 C ATOM 293 CD1 LEU A 19 -1.094 5.409 3.110 1.00 0.00 C ATOM 294 CD2 LEU A 19 0.944 4.489 4.012 1.00 0.00 C ATOM 0 H LEU A 19 1.040 4.440 6.657 1.00 0.00 H new ATOM 0 HA LEU A 19 0.376 7.266 7.064 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.952 7.074 4.974 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.777 6.885 4.766 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.934 4.449 5.009 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.252 4.481 2.561 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.058 5.859 3.348 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.513 6.098 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.757 3.574 3.449 1.00 0.00 H new ATOM 0 HD22 LEU A 19 1.525 5.179 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.500 4.250 4.918 1.00 0.00 H new ATOM 306 N SER A 20 -1.210 5.117 8.417 1.00 0.00 N ATOM 307 CA SER A 20 -2.403 4.690 9.167 1.00 0.00 C ATOM 308 C SER A 20 -3.306 3.805 8.288 1.00 0.00 C ATOM 309 O SER A 20 -4.497 3.733 8.476 1.00 0.00 O ATOM 310 CB SER A 20 -3.176 5.925 9.721 1.00 0.00 C ATOM 311 OG SER A 20 -4.260 5.544 10.557 1.00 0.00 O ATOM 0 H SER A 20 -0.337 4.736 8.782 1.00 0.00 H new ATOM 0 HA SER A 20 -2.083 4.092 10.020 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.491 6.559 10.283 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.552 6.520 8.889 1.00 0.00 H new ATOM 0 HG SER A 20 -4.697 4.750 10.184 1.00 0.00 H new ATOM 317 N LEU A 21 -2.698 3.098 7.376 1.00 0.00 N ATOM 318 CA LEU A 21 -3.388 2.194 6.465 1.00 0.00 C ATOM 319 C LEU A 21 -3.099 0.748 6.848 1.00 0.00 C ATOM 320 O LEU A 21 -3.275 -0.160 6.043 1.00 0.00 O ATOM 321 CB LEU A 21 -2.930 2.456 5.032 1.00 0.00 C ATOM 322 CG LEU A 21 -3.704 3.477 4.151 1.00 0.00 C ATOM 323 CD1 LEU A 21 -4.917 2.843 3.555 1.00 0.00 C ATOM 324 CD2 LEU A 21 -4.128 4.716 4.916 1.00 0.00 C ATOM 0 H LEU A 21 -1.688 3.127 7.233 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.462 2.369 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.892 2.786 5.077 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.939 1.501 4.507 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.011 3.785 3.368 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -5.445 3.573 2.942 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -4.618 1.997 2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.574 2.495 4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -4.664 5.391 4.248 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.780 4.429 5.741 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -3.246 5.220 5.310 1.00 0.00 H new ATOM 336 N ASP A 22 -2.644 0.548 8.091 1.00 0.00 N ATOM 337 CA ASP A 22 -2.416 -0.798 8.686 1.00 0.00 C ATOM 338 C ASP A 22 -3.628 -1.714 8.481 1.00 0.00 C ATOM 339 O ASP A 22 -3.496 -2.920 8.289 1.00 0.00 O ATOM 340 CB ASP A 22 -2.117 -0.658 10.189 1.00 0.00 C ATOM 341 CG ASP A 22 -2.017 -1.987 10.925 1.00 0.00 C ATOM 342 OD1 ASP A 22 -0.919 -2.550 11.031 1.00 0.00 O ATOM 343 OD2 ASP A 22 -3.037 -2.461 11.458 1.00 0.00 O ATOM 0 H ASP A 22 -2.419 1.314 8.726 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.563 -1.250 8.181 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.181 -0.113 10.314 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -2.900 -0.056 10.651 1.00 0.00 H new ATOM 348 N GLN A 23 -4.785 -1.110 8.468 1.00 0.00 N ATOM 349 CA GLN A 23 -6.063 -1.773 8.256 1.00 0.00 C ATOM 350 C GLN A 23 -6.122 -2.497 6.886 1.00 0.00 C ATOM 351 O GLN A 23 -6.918 -3.407 6.681 1.00 0.00 O ATOM 352 CB GLN A 23 -7.159 -0.718 8.362 1.00 0.00 C ATOM 353 CG GLN A 23 -7.161 0.317 7.232 1.00 0.00 C ATOM 354 CD GLN A 23 -7.728 1.600 7.669 1.00 0.00 C ATOM 355 OE1 GLN A 23 -8.934 1.776 7.668 1.00 0.00 O ATOM 356 NE2 GLN A 23 -6.869 2.539 7.951 1.00 0.00 N ATOM 0 H GLN A 23 -4.877 -0.104 8.609 1.00 0.00 H new ATOM 0 HA GLN A 23 -6.201 -2.544 9.014 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.127 -1.219 8.379 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.053 -0.197 9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.141 0.472 6.879 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.736 -0.066 6.389 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -5.869 2.337 7.937 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.196 3.476 8.186 1.00 0.00 H new ATOM 365 N TYR A 24 -5.263 -2.089 5.968 1.00 0.00 N ATOM 366 CA TYR A 24 -5.204 -2.693 4.660 1.00 0.00 C ATOM 367 C TYR A 24 -4.229 -3.854 4.606 1.00 0.00 C ATOM 368 O TYR A 24 -4.337 -4.704 3.727 1.00 0.00 O ATOM 369 CB TYR A 24 -4.890 -1.666 3.577 1.00 0.00 C ATOM 370 CG TYR A 24 -6.119 -1.067 2.925 1.00 0.00 C ATOM 371 CD1 TYR A 24 -6.829 -0.039 3.520 1.00 0.00 C ATOM 372 CD2 TYR A 24 -6.569 -1.546 1.699 1.00 0.00 C ATOM 373 CE1 TYR A 24 -7.952 0.497 2.920 1.00 0.00 C ATOM 374 CE2 TYR A 24 -7.693 -1.013 1.088 1.00 0.00 C ATOM 375 CZ TYR A 24 -8.378 0.012 1.704 1.00 0.00 C ATOM 376 OH TYR A 24 -9.508 0.547 1.106 1.00 0.00 O ATOM 0 H TYR A 24 -4.593 -1.334 6.113 1.00 0.00 H new ATOM 0 HA TYR A 24 -6.197 -3.095 4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -4.294 -0.864 4.012 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.277 -2.138 2.809 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.499 0.352 4.471 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -6.032 -2.348 1.214 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -8.495 1.295 3.404 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -8.029 -1.398 0.137 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.672 0.094 0.252 1.00 0.00 H new ATOM 386 N VAL A 25 -3.299 -3.903 5.563 1.00 0.00 N ATOM 387 CA VAL A 25 -2.285 -4.997 5.651 1.00 0.00 C ATOM 388 C VAL A 25 -2.964 -6.365 5.644 1.00 0.00 C ATOM 389 O VAL A 25 -2.504 -7.301 4.977 1.00 0.00 O ATOM 390 CB VAL A 25 -1.372 -4.883 6.926 1.00 0.00 C ATOM 391 CG1 VAL A 25 -0.431 -6.061 7.042 1.00 0.00 C ATOM 392 CG2 VAL A 25 -0.612 -3.573 6.935 1.00 0.00 C ATOM 0 H VAL A 25 -3.214 -3.202 6.299 1.00 0.00 H new ATOM 0 HA VAL A 25 -1.648 -4.890 4.773 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.024 -4.899 7.799 1.00 0.00 H new ATOM 0 HG11 VAL A 25 0.185 -5.948 7.935 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -1.009 -6.983 7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.210 -6.102 6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.012 -3.520 7.827 1.00 0.00 H new ATOM 0 HG22 VAL A 25 0.018 -3.512 6.048 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.318 -2.743 6.936 1.00 0.00 H new ATOM 402 N SER A 26 -4.096 -6.418 6.317 1.00 0.00 N ATOM 403 CA SER A 26 -4.930 -7.591 6.477 1.00 0.00 C ATOM 404 C SER A 26 -5.249 -8.288 5.137 1.00 0.00 C ATOM 405 O SER A 26 -5.463 -9.503 5.087 1.00 0.00 O ATOM 406 CB SER A 26 -6.201 -7.105 7.112 1.00 0.00 C ATOM 407 OG SER A 26 -5.885 -6.242 8.197 1.00 0.00 O ATOM 0 H SER A 26 -4.478 -5.600 6.792 1.00 0.00 H new ATOM 0 HA SER A 26 -4.410 -8.334 7.082 1.00 0.00 H new ATOM 0 HB2 SER A 26 -6.809 -6.577 6.378 1.00 0.00 H new ATOM 0 HB3 SER A 26 -6.791 -7.951 7.465 1.00 0.00 H new ATOM 0 HG SER A 26 -6.713 -5.922 8.612 1.00 0.00 H new ATOM 413 N GLU A 27 -5.292 -7.526 4.068 1.00 0.00 N ATOM 414 CA GLU A 27 -5.546 -8.093 2.778 1.00 0.00 C ATOM 415 C GLU A 27 -4.344 -7.871 1.854 1.00 0.00 C ATOM 416 O GLU A 27 -4.059 -8.700 1.002 1.00 0.00 O ATOM 417 CB GLU A 27 -6.826 -7.526 2.188 1.00 0.00 C ATOM 418 CG GLU A 27 -7.256 -8.171 0.880 1.00 0.00 C ATOM 419 CD GLU A 27 -7.611 -9.622 1.010 1.00 0.00 C ATOM 420 OE1 GLU A 27 -8.500 -9.957 1.813 1.00 0.00 O ATOM 421 OE2 GLU A 27 -7.051 -10.448 0.276 1.00 0.00 O ATOM 0 H GLU A 27 -5.154 -6.515 4.073 1.00 0.00 H new ATOM 0 HA GLU A 27 -5.686 -9.169 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.629 -7.640 2.916 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -6.694 -6.456 2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -8.116 -7.630 0.484 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.451 -8.067 0.152 1.00 0.00 H new ATOM 428 N PHE A 28 -3.609 -6.770 2.058 1.00 0.00 N ATOM 429 CA PHE A 28 -2.400 -6.468 1.267 1.00 0.00 C ATOM 430 C PHE A 28 -1.415 -7.625 1.317 1.00 0.00 C ATOM 431 O PHE A 28 -0.881 -8.062 0.294 1.00 0.00 O ATOM 432 CB PHE A 28 -1.708 -5.202 1.783 1.00 0.00 C ATOM 433 CG PHE A 28 -1.937 -3.965 0.952 1.00 0.00 C ATOM 434 CD1 PHE A 28 -3.180 -3.375 0.874 1.00 0.00 C ATOM 435 CD2 PHE A 28 -0.888 -3.396 0.249 1.00 0.00 C ATOM 436 CE1 PHE A 28 -3.375 -2.239 0.109 1.00 0.00 C ATOM 437 CE2 PHE A 28 -1.077 -2.263 -0.513 1.00 0.00 C ATOM 438 CZ PHE A 28 -2.322 -1.685 -0.584 1.00 0.00 C ATOM 0 H PHE A 28 -3.828 -6.069 2.766 1.00 0.00 H new ATOM 0 HA PHE A 28 -2.719 -6.309 0.237 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -2.051 -5.007 2.799 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -0.636 -5.390 1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.010 -3.804 1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 28 0.092 -3.847 0.299 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -4.354 -1.786 0.055 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.248 -1.830 -1.053 1.00 0.00 H new ATOM 0 HZ PHE A 28 -2.474 -0.799 -1.182 1.00 0.00 H new ATOM 448 N SER A 29 -1.250 -8.173 2.489 1.00 0.00 N ATOM 449 CA SER A 29 -0.321 -9.244 2.682 1.00 0.00 C ATOM 450 C SER A 29 -0.961 -10.597 2.321 1.00 0.00 C ATOM 451 O SER A 29 -0.282 -11.606 2.204 1.00 0.00 O ATOM 452 CB SER A 29 0.207 -9.215 4.118 1.00 0.00 C ATOM 453 OG SER A 29 0.822 -7.951 4.397 1.00 0.00 O ATOM 0 H SER A 29 -1.753 -7.890 3.330 1.00 0.00 H new ATOM 0 HA SER A 29 0.528 -9.113 2.011 1.00 0.00 H new ATOM 0 HB2 SER A 29 -0.611 -9.391 4.817 1.00 0.00 H new ATOM 0 HB3 SER A 29 0.929 -10.018 4.263 1.00 0.00 H new ATOM 0 HG SER A 29 1.154 -7.945 5.319 1.00 0.00 H new ATOM 459 N ALA A 30 -2.256 -10.593 2.094 1.00 0.00 N ATOM 460 CA ALA A 30 -2.975 -11.801 1.737 1.00 0.00 C ATOM 461 C ALA A 30 -2.846 -12.062 0.253 1.00 0.00 C ATOM 462 O ALA A 30 -2.617 -13.184 -0.186 1.00 0.00 O ATOM 463 CB ALA A 30 -4.430 -11.683 2.124 1.00 0.00 C ATOM 0 H ALA A 30 -2.840 -9.758 2.151 1.00 0.00 H new ATOM 0 HA ALA A 30 -2.541 -12.640 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.955 -12.598 1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -4.509 -11.529 3.200 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.878 -10.837 1.602 1.00 0.00 H new ATOM 469 N GLN A 31 -2.943 -11.010 -0.521 1.00 0.00 N ATOM 470 CA GLN A 31 -2.838 -11.124 -1.970 1.00 0.00 C ATOM 471 C GLN A 31 -1.424 -10.903 -2.481 1.00 0.00 C ATOM 472 O GLN A 31 -1.199 -10.705 -3.681 1.00 0.00 O ATOM 473 CB GLN A 31 -3.895 -10.289 -2.708 1.00 0.00 C ATOM 474 CG GLN A 31 -4.281 -9.010 -2.026 1.00 0.00 C ATOM 475 CD GLN A 31 -5.373 -8.269 -2.773 1.00 0.00 C ATOM 476 OE1 GLN A 31 -5.103 -7.446 -3.647 1.00 0.00 O ATOM 477 NE2 GLN A 31 -6.606 -8.540 -2.429 1.00 0.00 N ATOM 0 H GLN A 31 -3.095 -10.061 -0.180 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.068 -12.162 -2.210 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -3.520 -10.053 -3.704 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -4.790 -10.897 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -4.620 -9.228 -1.013 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.404 -8.369 -1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.792 -9.228 -1.700 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.381 -8.063 -2.890 1.00 0.00 H new ATOM 486 N ASN A 32 -0.462 -10.998 -1.549 1.00 0.00 N ATOM 487 CA ASN A 32 0.975 -10.945 -1.852 1.00 0.00 C ATOM 488 C ASN A 32 1.359 -9.638 -2.516 1.00 0.00 C ATOM 489 O ASN A 32 2.247 -9.597 -3.379 1.00 0.00 O ATOM 490 CB ASN A 32 1.397 -12.144 -2.732 1.00 0.00 C ATOM 491 CG ASN A 32 1.234 -13.493 -2.045 1.00 0.00 C ATOM 492 OD1 ASN A 32 2.141 -13.971 -1.372 1.00 0.00 O ATOM 493 ND2 ASN A 32 0.104 -14.127 -2.234 1.00 0.00 N ATOM 0 H ASN A 32 -0.663 -11.115 -0.556 1.00 0.00 H new ATOM 0 HA ASN A 32 1.509 -11.005 -0.904 1.00 0.00 H new ATOM 0 HB2 ASN A 32 0.805 -12.138 -3.647 1.00 0.00 H new ATOM 0 HB3 ASN A 32 2.439 -12.019 -3.026 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -0.041 -15.046 -1.816 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -0.631 -13.702 -2.799 1.00 0.00 H new ATOM 500 N ILE A 33 0.724 -8.570 -2.090 1.00 0.00 N ATOM 501 CA ILE A 33 0.989 -7.268 -2.638 1.00 0.00 C ATOM 502 C ILE A 33 2.365 -6.821 -2.188 1.00 0.00 C ATOM 503 O ILE A 33 2.634 -6.736 -1.003 1.00 0.00 O ATOM 504 CB ILE A 33 -0.079 -6.220 -2.183 1.00 0.00 C ATOM 505 CG1 ILE A 33 -1.499 -6.678 -2.562 1.00 0.00 C ATOM 506 CG2 ILE A 33 0.209 -4.830 -2.749 1.00 0.00 C ATOM 507 CD1 ILE A 33 -1.741 -6.905 -4.048 1.00 0.00 C ATOM 0 H ILE A 33 0.014 -8.583 -1.358 1.00 0.00 H new ATOM 0 HA ILE A 33 0.943 -7.334 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.018 -6.151 -1.097 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.717 -7.605 -2.031 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.209 -5.932 -2.206 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.557 -4.133 -2.409 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.186 -4.492 -2.405 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.203 -4.872 -3.838 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -2.771 -7.225 -4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.563 -5.977 -4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.062 -7.676 -4.414 1.00 0.00 H new ATOM 519 N SER A 34 3.238 -6.615 -3.127 1.00 0.00 N ATOM 520 CA SER A 34 4.541 -6.131 -2.822 1.00 0.00 C ATOM 521 C SER A 34 4.619 -4.688 -3.265 1.00 0.00 C ATOM 522 O SER A 34 3.590 -4.086 -3.643 1.00 0.00 O ATOM 523 CB SER A 34 5.598 -6.955 -3.563 1.00 0.00 C ATOM 524 OG SER A 34 5.493 -6.790 -4.970 1.00 0.00 O ATOM 0 H SER A 34 3.065 -6.778 -4.119 1.00 0.00 H new ATOM 0 HA SER A 34 4.729 -6.214 -1.751 1.00 0.00 H new ATOM 0 HB2 SER A 34 6.592 -6.654 -3.233 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.483 -8.009 -3.309 1.00 0.00 H new ATOM 0 HG SER A 34 4.650 -7.179 -5.283 1.00 0.00 H new ATOM 530 N GLY A 35 5.825 -4.151 -3.291 1.00 0.00 N ATOM 531 CA GLY A 35 6.041 -2.810 -3.738 1.00 0.00 C ATOM 532 C GLY A 35 5.657 -2.665 -5.183 1.00 0.00 C ATOM 533 O GLY A 35 5.200 -1.616 -5.597 1.00 0.00 O ATOM 0 H GLY A 35 6.672 -4.640 -3.001 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.456 -2.120 -3.130 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.089 -2.542 -3.606 1.00 0.00 H new ATOM 537 N GLU A 36 5.772 -3.773 -5.922 1.00 0.00 N ATOM 538 CA GLU A 36 5.416 -3.840 -7.328 1.00 0.00 C ATOM 539 C GLU A 36 3.984 -3.374 -7.527 1.00 0.00 C ATOM 540 O GLU A 36 3.700 -2.541 -8.389 1.00 0.00 O ATOM 541 CB GLU A 36 5.555 -5.279 -7.828 1.00 0.00 C ATOM 542 CG GLU A 36 5.128 -5.474 -9.266 1.00 0.00 C ATOM 543 CD GLU A 36 5.222 -6.902 -9.711 1.00 0.00 C ATOM 544 OE1 GLU A 36 6.298 -7.311 -10.167 1.00 0.00 O ATOM 545 OE2 GLU A 36 4.202 -7.639 -9.641 1.00 0.00 O ATOM 0 H GLU A 36 6.120 -4.656 -5.548 1.00 0.00 H new ATOM 0 HA GLU A 36 6.086 -3.191 -7.892 1.00 0.00 H new ATOM 0 HB2 GLU A 36 6.594 -5.591 -7.723 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.960 -5.933 -7.191 1.00 0.00 H new ATOM 0 HG2 GLU A 36 4.101 -5.128 -9.386 1.00 0.00 H new ATOM 0 HG3 GLU A 36 5.750 -4.855 -9.912 1.00 0.00 H new ATOM 552 N GLN A 37 3.093 -3.866 -6.693 1.00 0.00 N ATOM 553 CA GLN A 37 1.708 -3.524 -6.831 1.00 0.00 C ATOM 554 C GLN A 37 1.345 -2.298 -6.049 1.00 0.00 C ATOM 555 O GLN A 37 0.351 -1.656 -6.352 1.00 0.00 O ATOM 556 CB GLN A 37 0.729 -4.693 -6.579 1.00 0.00 C ATOM 557 CG GLN A 37 1.282 -5.921 -5.871 1.00 0.00 C ATOM 558 CD GLN A 37 2.282 -6.711 -6.682 1.00 0.00 C ATOM 559 OE1 GLN A 37 3.158 -7.354 -6.122 1.00 0.00 O ATOM 560 NE2 GLN A 37 2.181 -6.636 -7.980 1.00 0.00 N ATOM 0 H GLN A 37 3.307 -4.498 -5.921 1.00 0.00 H new ATOM 0 HA GLN A 37 1.585 -3.285 -7.887 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.108 -4.313 -5.993 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.326 -5.010 -7.541 1.00 0.00 H new ATOM 0 HG2 GLN A 37 1.754 -5.607 -4.940 1.00 0.00 H new ATOM 0 HG3 GLN A 37 0.452 -6.575 -5.603 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.433 -6.087 -8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.850 -7.127 -8.573 1.00 0.00 H new ATOM 569 N LEU A 38 2.172 -1.978 -5.077 1.00 0.00 N ATOM 570 CA LEU A 38 2.033 -0.795 -4.234 1.00 0.00 C ATOM 571 C LEU A 38 2.184 0.452 -5.115 1.00 0.00 C ATOM 572 O LEU A 38 1.363 1.357 -5.085 1.00 0.00 O ATOM 573 CB LEU A 38 3.157 -0.853 -3.178 1.00 0.00 C ATOM 574 CG LEU A 38 3.053 -0.010 -1.898 1.00 0.00 C ATOM 575 CD1 LEU A 38 4.243 -0.297 -1.017 1.00 0.00 C ATOM 576 CD2 LEU A 38 2.990 1.476 -2.174 1.00 0.00 C ATOM 0 H LEU A 38 2.985 -2.546 -4.839 1.00 0.00 H new ATOM 0 HA LEU A 38 1.061 -0.758 -3.741 1.00 0.00 H new ATOM 0 HB2 LEU A 38 3.261 -1.894 -2.873 1.00 0.00 H new ATOM 0 HB3 LEU A 38 4.085 -0.572 -3.676 1.00 0.00 H new ATOM 0 HG LEU A 38 2.122 -0.288 -1.405 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.174 0.299 -0.107 1.00 0.00 H new ATOM 0 HD12 LEU A 38 4.257 -1.356 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.160 -0.042 -1.549 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.917 2.018 -1.231 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.891 1.786 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 38 2.116 1.695 -2.787 1.00 0.00 H new ATOM 588 N LEU A 39 3.221 0.449 -5.925 1.00 0.00 N ATOM 589 CA LEU A 39 3.534 1.563 -6.815 1.00 0.00 C ATOM 590 C LEU A 39 2.428 1.760 -7.847 1.00 0.00 C ATOM 591 O LEU A 39 2.095 2.885 -8.216 1.00 0.00 O ATOM 592 CB LEU A 39 4.860 1.274 -7.539 1.00 0.00 C ATOM 593 CG LEU A 39 6.091 1.012 -6.655 1.00 0.00 C ATOM 594 CD1 LEU A 39 7.180 0.325 -7.461 1.00 0.00 C ATOM 595 CD2 LEU A 39 6.621 2.312 -6.061 1.00 0.00 C ATOM 0 H LEU A 39 3.879 -0.328 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 39 3.620 2.472 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.713 0.407 -8.183 1.00 0.00 H new ATOM 0 HB3 LEU A 39 5.083 2.120 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 39 5.789 0.359 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 39 8.046 0.145 -6.824 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.806 -0.625 -7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 39 7.471 0.962 -8.297 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.491 2.100 -5.440 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.906 2.990 -6.865 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.845 2.777 -5.452 1.00 0.00 H new ATOM 607 N GLN A 40 1.866 0.674 -8.315 1.00 0.00 N ATOM 608 CA GLN A 40 0.841 0.754 -9.345 1.00 0.00 C ATOM 609 C GLN A 40 -0.589 0.608 -8.818 1.00 0.00 C ATOM 610 O GLN A 40 -1.511 0.308 -9.592 1.00 0.00 O ATOM 611 CB GLN A 40 1.166 -0.195 -10.508 1.00 0.00 C ATOM 612 CG GLN A 40 1.297 -1.681 -10.188 1.00 0.00 C ATOM 613 CD GLN A 40 0.000 -2.438 -10.161 1.00 0.00 C ATOM 614 OE1 GLN A 40 -0.493 -2.890 -11.191 1.00 0.00 O ATOM 615 NE2 GLN A 40 -0.514 -2.673 -9.004 1.00 0.00 N ATOM 0 H GLN A 40 2.093 -0.272 -8.008 1.00 0.00 H new ATOM 0 HA GLN A 40 0.865 1.771 -9.735 1.00 0.00 H new ATOM 0 HB2 GLN A 40 0.388 -0.081 -11.263 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.101 0.135 -10.961 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.954 -2.140 -10.927 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.784 -1.788 -9.218 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.082 -2.284 -8.166 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.353 -3.248 -8.926 1.00 0.00 H new ATOM 624 N LEU A 41 -0.776 0.856 -7.526 1.00 0.00 N ATOM 625 CA LEU A 41 -2.081 0.822 -6.901 1.00 0.00 C ATOM 626 C LEU A 41 -3.083 1.723 -7.586 1.00 0.00 C ATOM 627 O LEU A 41 -2.728 2.727 -8.203 1.00 0.00 O ATOM 628 CB LEU A 41 -2.008 1.182 -5.440 1.00 0.00 C ATOM 629 CG LEU A 41 -1.512 0.103 -4.511 1.00 0.00 C ATOM 630 CD1 LEU A 41 -1.330 0.684 -3.154 1.00 0.00 C ATOM 631 CD2 LEU A 41 -2.505 -1.052 -4.447 1.00 0.00 C ATOM 0 H LEU A 41 -0.018 1.087 -6.884 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.425 -0.207 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.358 2.051 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.002 1.486 -5.112 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.563 -0.282 -4.885 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.971 -0.088 -2.473 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.602 1.494 -3.200 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.283 1.072 -2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.127 -1.819 -3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.465 -0.687 -4.081 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.634 -1.477 -5.443 1.00 0.00 H new ATOM 643 N ASP A 42 -4.322 1.367 -7.457 1.00 0.00 N ATOM 644 CA ASP A 42 -5.422 2.051 -8.091 1.00 0.00 C ATOM 645 C ASP A 42 -6.659 1.670 -7.316 1.00 0.00 C ATOM 646 O ASP A 42 -6.609 0.682 -6.578 1.00 0.00 O ATOM 647 CB ASP A 42 -5.537 1.569 -9.557 1.00 0.00 C ATOM 648 CG ASP A 42 -6.659 2.220 -10.327 1.00 0.00 C ATOM 649 OD1 ASP A 42 -7.787 1.714 -10.285 1.00 0.00 O ATOM 650 OD2 ASP A 42 -6.432 3.248 -10.978 1.00 0.00 O ATOM 0 H ASP A 42 -4.613 0.569 -6.892 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.285 3.132 -8.097 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -4.595 1.766 -10.069 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -5.683 0.489 -9.564 1.00 0.00 H new ATOM 655 N GLY A 43 -7.740 2.431 -7.453 1.00 0.00 N ATOM 656 CA GLY A 43 -8.999 2.138 -6.781 1.00 0.00 C ATOM 657 C GLY A 43 -9.494 0.768 -7.094 1.00 0.00 C ATOM 658 O GLY A 43 -10.061 0.121 -6.235 1.00 0.00 O ATOM 0 H GLY A 43 -7.767 3.269 -8.034 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.867 2.238 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.748 2.871 -7.080 1.00 0.00 H new ATOM 662 N ASN A 44 -9.247 0.307 -8.318 1.00 0.00 N ATOM 663 CA ASN A 44 -9.614 -1.039 -8.726 1.00 0.00 C ATOM 664 C ASN A 44 -8.991 -2.052 -7.812 1.00 0.00 C ATOM 665 O ASN A 44 -9.650 -2.996 -7.364 1.00 0.00 O ATOM 666 CB ASN A 44 -9.210 -1.317 -10.163 1.00 0.00 C ATOM 667 CG ASN A 44 -10.105 -0.646 -11.200 1.00 0.00 C ATOM 668 OD1 ASN A 44 -11.123 -1.203 -11.624 1.00 0.00 O ATOM 669 ND2 ASN A 44 -9.738 0.528 -11.631 1.00 0.00 N ATOM 0 H ASN A 44 -8.790 0.854 -9.047 1.00 0.00 H new ATOM 0 HA ASN A 44 -10.699 -1.117 -8.661 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -8.184 -0.982 -10.312 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.221 -2.394 -10.331 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -10.296 1.010 -12.336 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -8.893 0.965 -11.264 1.00 0.00 H new ATOM 676 N LYS A 45 -7.731 -1.836 -7.506 1.00 0.00 N ATOM 677 CA LYS A 45 -7.022 -2.680 -6.580 1.00 0.00 C ATOM 678 C LYS A 45 -7.570 -2.484 -5.185 1.00 0.00 C ATOM 679 O LYS A 45 -7.906 -3.427 -4.536 1.00 0.00 O ATOM 680 CB LYS A 45 -5.522 -2.391 -6.582 1.00 0.00 C ATOM 681 CG LYS A 45 -4.923 -2.357 -7.963 1.00 0.00 C ATOM 682 CD LYS A 45 -3.464 -2.772 -7.975 1.00 0.00 C ATOM 683 CE LYS A 45 -3.208 -4.183 -7.421 1.00 0.00 C ATOM 684 NZ LYS A 45 -3.907 -5.255 -8.168 1.00 0.00 N ATOM 0 H LYS A 45 -7.174 -1.073 -7.892 1.00 0.00 H new ATOM 0 HA LYS A 45 -7.167 -3.713 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.343 -1.434 -6.092 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.012 -3.152 -5.991 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -5.491 -3.018 -8.618 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.014 -1.350 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -3.092 -2.722 -8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -2.888 -2.054 -7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -2.136 -4.381 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -3.522 -4.216 -6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.688 -6.177 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.933 -5.091 -8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -3.591 -5.251 -9.159 1.00 0.00 H new ATOM 698 N LEU A 46 -7.712 -1.226 -4.769 1.00 0.00 N ATOM 699 CA LEU A 46 -8.197 -0.866 -3.416 1.00 0.00 C ATOM 700 C LEU A 46 -9.554 -1.518 -3.114 1.00 0.00 C ATOM 701 O LEU A 46 -9.845 -1.917 -1.974 1.00 0.00 O ATOM 702 CB LEU A 46 -8.306 0.658 -3.291 1.00 0.00 C ATOM 703 CG LEU A 46 -7.016 1.448 -3.575 1.00 0.00 C ATOM 704 CD1 LEU A 46 -7.258 2.952 -3.488 1.00 0.00 C ATOM 705 CD2 LEU A 46 -5.897 1.021 -2.630 1.00 0.00 C ATOM 0 H LEU A 46 -7.496 -0.419 -5.354 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.477 -1.240 -2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -9.080 1.005 -3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -8.642 0.898 -2.282 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.704 1.220 -4.594 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.328 3.483 -3.693 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -8.011 3.242 -4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.608 3.207 -2.488 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.996 1.594 -2.851 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.201 1.205 -1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.693 -0.041 -2.764 1.00 0.00 H new ATOM 717 N LYS A 47 -10.368 -1.629 -4.134 1.00 0.00 N ATOM 718 CA LYS A 47 -11.649 -2.282 -4.034 1.00 0.00 C ATOM 719 C LYS A 47 -11.464 -3.810 -3.991 1.00 0.00 C ATOM 720 O LYS A 47 -12.175 -4.509 -3.272 1.00 0.00 O ATOM 721 CB LYS A 47 -12.539 -1.887 -5.217 1.00 0.00 C ATOM 722 CG LYS A 47 -12.999 -0.432 -5.238 1.00 0.00 C ATOM 723 CD LYS A 47 -13.237 0.041 -6.674 1.00 0.00 C ATOM 724 CE LYS A 47 -14.170 1.237 -6.746 1.00 0.00 C ATOM 725 NZ LYS A 47 -15.560 0.871 -6.398 1.00 0.00 N ATOM 0 H LYS A 47 -10.159 -1.266 -5.064 1.00 0.00 H new ATOM 0 HA LYS A 47 -12.134 -1.963 -3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.997 -2.092 -6.140 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.420 -2.528 -5.216 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.916 -0.327 -4.659 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.248 0.199 -4.762 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -12.282 0.302 -7.130 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -13.656 -0.778 -7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.818 2.014 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -14.146 1.657 -7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -16.208 1.615 -6.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -15.806 -0.030 -6.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.645 0.771 -5.366 1.00 0.00 H new ATOM 739 N ALA A 48 -10.478 -4.310 -4.728 1.00 0.00 N ATOM 740 CA ALA A 48 -10.174 -5.748 -4.796 1.00 0.00 C ATOM 741 C ALA A 48 -9.509 -6.240 -3.504 1.00 0.00 C ATOM 742 O ALA A 48 -9.387 -7.445 -3.264 1.00 0.00 O ATOM 743 CB ALA A 48 -9.309 -6.064 -6.007 1.00 0.00 C ATOM 0 H ALA A 48 -9.861 -3.733 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.118 -6.281 -4.906 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.098 -7.133 -6.035 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.836 -5.774 -6.916 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.372 -5.511 -5.939 1.00 0.00 H new ATOM 749 N LEU A 49 -9.079 -5.298 -2.669 1.00 0.00 N ATOM 750 CA LEU A 49 -8.589 -5.620 -1.342 1.00 0.00 C ATOM 751 C LEU A 49 -9.782 -5.959 -0.443 1.00 0.00 C ATOM 752 O LEU A 49 -9.628 -6.361 0.698 1.00 0.00 O ATOM 753 CB LEU A 49 -7.767 -4.454 -0.718 1.00 0.00 C ATOM 754 CG LEU A 49 -6.239 -4.346 -1.032 1.00 0.00 C ATOM 755 CD1 LEU A 49 -5.491 -5.558 -0.580 1.00 0.00 C ATOM 756 CD2 LEU A 49 -5.939 -4.082 -2.477 1.00 0.00 C ATOM 0 H LEU A 49 -9.062 -4.303 -2.894 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.918 -6.475 -1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.233 -3.520 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -7.876 -4.518 0.365 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.899 -3.479 -0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.433 -5.442 -0.817 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.611 -5.679 0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.883 -6.438 -1.090 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.860 -4.020 -2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.339 -4.893 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.400 -3.141 -2.778 1.00 0.00 H new ATOM 768 N GLY A 50 -10.987 -5.725 -0.961 1.00 0.00 N ATOM 769 CA GLY A 50 -12.215 -6.034 -0.246 1.00 0.00 C ATOM 770 C GLY A 50 -12.459 -5.101 0.915 1.00 0.00 C ATOM 771 O GLY A 50 -13.448 -5.223 1.628 1.00 0.00 O ATOM 0 H GLY A 50 -11.135 -5.318 -1.884 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -13.057 -5.978 -0.936 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -12.170 -7.060 0.120 1.00 0.00 H new ATOM 775 N MET A 51 -11.567 -4.160 1.086 1.00 0.00 N ATOM 776 CA MET A 51 -11.648 -3.242 2.183 1.00 0.00 C ATOM 777 C MET A 51 -12.509 -2.075 1.760 1.00 0.00 C ATOM 778 O MET A 51 -13.440 -1.699 2.460 1.00 0.00 O ATOM 779 CB MET A 51 -10.252 -2.798 2.589 1.00 0.00 C ATOM 780 CG MET A 51 -10.179 -2.111 3.938 1.00 0.00 C ATOM 781 SD MET A 51 -10.728 -3.166 5.290 1.00 0.00 S ATOM 782 CE MET A 51 -10.430 -2.074 6.683 1.00 0.00 C ATOM 0 H MET A 51 -10.768 -4.012 0.469 1.00 0.00 H new ATOM 0 HA MET A 51 -12.101 -3.716 3.054 1.00 0.00 H new ATOM 0 HB2 MET A 51 -9.597 -3.669 2.603 1.00 0.00 H new ATOM 0 HB3 MET A 51 -9.864 -2.120 1.829 1.00 0.00 H new ATOM 0 HG2 MET A 51 -9.153 -1.794 4.124 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.791 -1.210 3.915 1.00 0.00 H new ATOM 0 HE1 MET A 51 -10.025 -2.649 7.516 1.00 0.00 H new ATOM 0 HE2 MET A 51 -9.717 -1.302 6.394 1.00 0.00 H new ATOM 0 HE3 MET A 51 -11.367 -1.607 6.986 1.00 0.00 H new ATOM 792 N THR A 52 -12.191 -1.521 0.573 1.00 0.00 N ATOM 793 CA THR A 52 -12.969 -0.476 -0.131 1.00 0.00 C ATOM 794 C THR A 52 -13.179 0.826 0.686 1.00 0.00 C ATOM 795 O THR A 52 -13.913 1.717 0.259 1.00 0.00 O ATOM 796 CB THR A 52 -14.345 -1.035 -0.621 1.00 0.00 C ATOM 797 OG1 THR A 52 -15.184 -1.422 0.481 1.00 0.00 O ATOM 798 CG2 THR A 52 -14.147 -2.246 -1.514 1.00 0.00 C ATOM 0 H THR A 52 -11.355 -1.797 0.058 1.00 0.00 H new ATOM 0 HA THR A 52 -12.358 -0.197 -0.990 1.00 0.00 H new ATOM 0 HB THR A 52 -14.828 -0.232 -1.177 1.00 0.00 H new ATOM 0 HG1 THR A 52 -14.743 -1.190 1.325 1.00 0.00 H new ATOM 0 HG21 THR A 52 -15.117 -2.618 -1.843 1.00 0.00 H new ATOM 0 HG22 THR A 52 -13.553 -1.964 -2.383 1.00 0.00 H new ATOM 0 HG23 THR A 52 -13.628 -3.027 -0.958 1.00 0.00 H new ATOM 806 N SER A 53 -12.486 0.937 1.792 1.00 0.00 N ATOM 807 CA SER A 53 -12.613 2.018 2.738 1.00 0.00 C ATOM 808 C SER A 53 -12.364 3.394 2.088 1.00 0.00 C ATOM 809 O SER A 53 -11.275 3.664 1.596 1.00 0.00 O ATOM 810 CB SER A 53 -11.627 1.742 3.820 1.00 0.00 C ATOM 811 OG SER A 53 -11.800 0.432 4.314 1.00 0.00 O ATOM 0 H SER A 53 -11.788 0.247 2.069 1.00 0.00 H new ATOM 0 HA SER A 53 -13.629 2.065 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 53 -10.613 1.864 3.438 1.00 0.00 H new ATOM 0 HB3 SER A 53 -11.752 2.463 4.628 1.00 0.00 H new ATOM 0 HG SER A 53 -11.852 0.456 5.292 1.00 0.00 H new ATOM 817 N SER A 54 -13.380 4.242 2.116 1.00 0.00 N ATOM 818 CA SER A 54 -13.409 5.519 1.423 1.00 0.00 C ATOM 819 C SER A 54 -12.359 6.555 1.894 1.00 0.00 C ATOM 820 O SER A 54 -11.764 7.249 1.064 1.00 0.00 O ATOM 821 CB SER A 54 -14.824 6.068 1.497 1.00 0.00 C ATOM 822 OG SER A 54 -15.332 5.930 2.816 1.00 0.00 O ATOM 0 H SER A 54 -14.235 4.053 2.639 1.00 0.00 H new ATOM 0 HA SER A 54 -13.119 5.330 0.389 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.831 7.118 1.204 1.00 0.00 H new ATOM 0 HB3 SER A 54 -15.466 5.537 0.794 1.00 0.00 H new ATOM 0 HG SER A 54 -16.243 6.288 2.855 1.00 0.00 H new ATOM 828 N GLN A 55 -12.109 6.654 3.196 1.00 0.00 N ATOM 829 CA GLN A 55 -11.136 7.634 3.701 1.00 0.00 C ATOM 830 C GLN A 55 -9.764 7.190 3.325 1.00 0.00 C ATOM 831 O GLN A 55 -8.869 7.991 3.015 1.00 0.00 O ATOM 832 CB GLN A 55 -11.302 7.863 5.230 1.00 0.00 C ATOM 833 CG GLN A 55 -10.459 7.053 6.250 1.00 0.00 C ATOM 834 CD GLN A 55 -8.967 7.471 6.392 1.00 0.00 C ATOM 835 OE1 GLN A 55 -8.661 8.463 7.059 1.00 0.00 O ATOM 836 NE2 GLN A 55 -8.043 6.619 6.003 1.00 0.00 N ATOM 0 H GLN A 55 -12.554 6.082 3.914 1.00 0.00 H new ATOM 0 HA GLN A 55 -11.317 8.605 3.240 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.106 8.918 5.419 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.351 7.686 5.469 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -10.933 7.135 7.228 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -10.495 6.001 5.966 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -8.303 5.801 5.452 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -7.067 6.776 6.253 1.00 0.00 H new ATOM 845 N ASP A 56 -9.639 5.905 3.287 1.00 0.00 N ATOM 846 CA ASP A 56 -8.425 5.245 2.990 1.00 0.00 C ATOM 847 C ASP A 56 -8.150 5.351 1.534 1.00 0.00 C ATOM 848 O ASP A 56 -7.044 5.646 1.155 1.00 0.00 O ATOM 849 CB ASP A 56 -8.529 3.818 3.457 1.00 0.00 C ATOM 850 CG ASP A 56 -8.878 3.793 4.919 1.00 0.00 C ATOM 851 OD1 ASP A 56 -7.998 3.972 5.731 1.00 0.00 O ATOM 852 OD2 ASP A 56 -10.081 3.737 5.259 1.00 0.00 O ATOM 0 H ASP A 56 -10.414 5.267 3.470 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.586 5.708 3.509 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -9.290 3.290 2.882 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -7.585 3.299 3.289 1.00 0.00 H new ATOM 857 N ARG A 57 -9.207 5.196 0.726 1.00 0.00 N ATOM 858 CA ARG A 57 -9.163 5.355 -0.743 1.00 0.00 C ATOM 859 C ARG A 57 -8.529 6.672 -1.130 1.00 0.00 C ATOM 860 O ARG A 57 -7.820 6.739 -2.096 1.00 0.00 O ATOM 861 CB ARG A 57 -10.582 5.292 -1.341 1.00 0.00 C ATOM 862 CG ARG A 57 -11.200 3.903 -1.400 1.00 0.00 C ATOM 863 CD ARG A 57 -10.966 3.227 -2.743 1.00 0.00 C ATOM 864 NE ARG A 57 -11.706 3.897 -3.826 1.00 0.00 N ATOM 865 CZ ARG A 57 -13.046 3.786 -4.061 1.00 0.00 C ATOM 866 NH1 ARG A 57 -13.858 3.171 -3.171 1.00 0.00 N ATOM 867 NH2 ARG A 57 -13.572 4.331 -5.161 1.00 0.00 N ATOM 0 H ARG A 57 -10.134 4.953 1.075 1.00 0.00 H new ATOM 0 HA ARG A 57 -8.562 4.537 -1.139 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -11.235 5.938 -0.754 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -10.552 5.702 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -10.779 3.286 -0.606 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -12.271 3.976 -1.213 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -9.900 3.233 -2.973 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -11.274 2.183 -2.684 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.171 4.496 -4.455 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -13.471 2.783 -2.311 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -14.857 3.095 -3.360 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -12.973 4.827 -5.821 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -14.573 4.251 -5.341 1.00 0.00 H new ATOM 881 N ALA A 58 -8.787 7.703 -0.347 1.00 0.00 N ATOM 882 CA ALA A 58 -8.240 9.019 -0.612 1.00 0.00 C ATOM 883 C ALA A 58 -6.810 9.159 -0.086 1.00 0.00 C ATOM 884 O ALA A 58 -5.960 9.789 -0.717 1.00 0.00 O ATOM 885 CB ALA A 58 -9.135 10.088 -0.004 1.00 0.00 C ATOM 0 H ALA A 58 -9.377 7.652 0.484 1.00 0.00 H new ATOM 0 HA ALA A 58 -8.204 9.152 -1.693 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -8.716 11.073 -0.208 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.131 10.020 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -9.200 9.938 1.074 1.00 0.00 H new ATOM 891 N LEU A 59 -6.528 8.537 1.038 1.00 0.00 N ATOM 892 CA LEU A 59 -5.229 8.709 1.665 1.00 0.00 C ATOM 893 C LEU A 59 -4.166 7.851 1.021 1.00 0.00 C ATOM 894 O LEU A 59 -3.043 8.319 0.760 1.00 0.00 O ATOM 895 CB LEU A 59 -5.262 8.450 3.157 1.00 0.00 C ATOM 896 CG LEU A 59 -3.963 8.821 3.873 1.00 0.00 C ATOM 897 CD1 LEU A 59 -3.635 10.281 3.650 1.00 0.00 C ATOM 898 CD2 LEU A 59 -4.033 8.526 5.339 1.00 0.00 C ATOM 0 H LEU A 59 -7.168 7.916 1.533 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.970 9.756 1.510 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.084 9.015 3.597 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.473 7.395 3.329 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.169 8.207 3.448 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.708 10.529 4.166 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.517 10.469 2.583 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.444 10.899 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -3.091 8.804 5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.846 9.098 5.787 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.214 7.461 5.488 1.00 0.00 H new ATOM 910 N VAL A 60 -4.501 6.609 0.747 1.00 0.00 N ATOM 911 CA VAL A 60 -3.568 5.707 0.091 1.00 0.00 C ATOM 912 C VAL A 60 -3.288 6.217 -1.321 1.00 0.00 C ATOM 913 O VAL A 60 -2.214 6.076 -1.828 1.00 0.00 O ATOM 914 CB VAL A 60 -4.079 4.229 0.026 1.00 0.00 C ATOM 915 CG1 VAL A 60 -5.368 4.131 -0.750 1.00 0.00 C ATOM 916 CG2 VAL A 60 -3.038 3.370 -0.622 1.00 0.00 C ATOM 0 H VAL A 60 -5.408 6.198 0.966 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.657 5.695 0.689 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.266 3.886 1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.698 3.092 -0.778 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -6.131 4.741 -0.267 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.208 4.488 -1.767 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.393 2.340 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.844 3.732 -1.632 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.118 3.411 -0.039 1.00 0.00 H new ATOM 926 N LYS A 61 -4.240 6.942 -1.848 1.00 0.00 N ATOM 927 CA LYS A 61 -4.219 7.449 -3.219 1.00 0.00 C ATOM 928 C LYS A 61 -3.171 8.525 -3.325 1.00 0.00 C ATOM 929 O LYS A 61 -2.497 8.700 -4.340 1.00 0.00 O ATOM 930 CB LYS A 61 -5.589 8.031 -3.526 1.00 0.00 C ATOM 931 CG LYS A 61 -5.816 8.501 -4.942 1.00 0.00 C ATOM 932 CD LYS A 61 -5.640 7.377 -5.941 1.00 0.00 C ATOM 933 CE LYS A 61 -6.135 7.811 -7.290 1.00 0.00 C ATOM 934 NZ LYS A 61 -5.885 6.816 -8.342 1.00 0.00 N ATOM 0 H LYS A 61 -5.078 7.210 -1.332 1.00 0.00 H new ATOM 0 HA LYS A 61 -3.986 6.652 -3.925 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.341 7.277 -3.291 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -5.761 8.873 -2.855 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -6.821 8.913 -5.032 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -5.119 9.306 -5.174 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -4.589 7.095 -6.003 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.188 6.495 -5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.205 8.008 -7.232 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -5.652 8.749 -7.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.248 7.171 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -4.862 6.645 -8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.367 5.927 -8.100 1.00 0.00 H new ATOM 948 N LYS A 62 -3.024 9.192 -2.242 1.00 0.00 N ATOM 949 CA LYS A 62 -2.103 10.269 -2.101 1.00 0.00 C ATOM 950 C LYS A 62 -0.732 9.711 -1.852 1.00 0.00 C ATOM 951 O LYS A 62 0.244 10.115 -2.476 1.00 0.00 O ATOM 952 CB LYS A 62 -2.568 11.140 -0.937 1.00 0.00 C ATOM 953 CG LYS A 62 -1.593 12.203 -0.480 1.00 0.00 C ATOM 954 CD LYS A 62 -2.146 12.989 0.701 1.00 0.00 C ATOM 955 CE LYS A 62 -3.411 13.768 0.349 1.00 0.00 C ATOM 956 NZ LYS A 62 -3.156 14.833 -0.643 1.00 0.00 N ATOM 0 H LYS A 62 -3.559 9.000 -1.395 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.062 10.876 -3.005 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -3.500 11.627 -1.222 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.793 10.492 -0.090 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -0.649 11.737 -0.199 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.380 12.883 -1.305 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.363 12.303 1.520 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.385 13.682 1.059 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.161 13.081 -0.043 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.827 14.210 1.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -4.014 15.409 -0.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.377 15.437 -0.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -2.898 14.404 -1.555 1.00 0.00 H new ATOM 970 N LYS A 63 -0.683 8.749 -0.987 1.00 0.00 N ATOM 971 CA LYS A 63 0.553 8.164 -0.595 1.00 0.00 C ATOM 972 C LYS A 63 1.148 7.300 -1.686 1.00 0.00 C ATOM 973 O LYS A 63 2.334 7.279 -1.853 1.00 0.00 O ATOM 974 CB LYS A 63 0.373 7.344 0.643 1.00 0.00 C ATOM 975 CG LYS A 63 1.378 7.682 1.729 1.00 0.00 C ATOM 976 CD LYS A 63 1.173 9.087 2.276 1.00 0.00 C ATOM 977 CE LYS A 63 -0.174 9.254 2.991 1.00 0.00 C ATOM 978 NZ LYS A 63 -0.256 10.585 3.616 1.00 0.00 N ATOM 0 H LYS A 63 -1.503 8.348 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 63 1.244 8.984 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -0.635 7.495 1.029 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.462 6.288 0.389 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.291 6.960 2.541 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.388 7.592 1.329 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.980 9.323 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 63 1.236 9.804 1.457 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.990 9.127 2.279 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.290 8.480 3.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -0.617 10.491 4.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 0.690 11.017 3.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -0.899 11.188 3.065 1.00 0.00 H new ATOM 992 N LEU A 64 0.311 6.614 -2.438 1.00 0.00 N ATOM 993 CA LEU A 64 0.781 5.688 -3.471 1.00 0.00 C ATOM 994 C LEU A 64 1.405 6.424 -4.635 1.00 0.00 C ATOM 995 O LEU A 64 2.018 5.816 -5.495 1.00 0.00 O ATOM 996 CB LEU A 64 -0.351 4.745 -3.940 1.00 0.00 C ATOM 997 CG LEU A 64 -1.375 5.285 -4.971 1.00 0.00 C ATOM 998 CD1 LEU A 64 -0.886 5.066 -6.408 1.00 0.00 C ATOM 999 CD2 LEU A 64 -2.737 4.646 -4.773 1.00 0.00 C ATOM 0 H LEU A 64 -0.704 6.675 -2.359 1.00 0.00 H new ATOM 0 HA LEU A 64 1.559 5.069 -3.024 1.00 0.00 H new ATOM 0 HB2 LEU A 64 0.112 3.855 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.905 4.425 -3.057 1.00 0.00 H new ATOM 0 HG LEU A 64 -1.471 6.358 -4.805 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -1.626 5.455 -7.107 1.00 0.00 H new ATOM 0 HD12 LEU A 64 0.060 5.587 -6.554 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.744 4.000 -6.586 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.436 5.043 -5.509 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -2.654 3.566 -4.897 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.101 4.869 -3.770 1.00 0.00 H new ATOM 1011 N LYS A 65 1.200 7.715 -4.707 1.00 0.00 N ATOM 1012 CA LYS A 65 1.867 8.478 -5.749 1.00 0.00 C ATOM 1013 C LYS A 65 3.132 9.189 -5.233 1.00 0.00 C ATOM 1014 O LYS A 65 3.883 9.769 -6.017 1.00 0.00 O ATOM 1015 CB LYS A 65 0.921 9.450 -6.458 1.00 0.00 C ATOM 1016 CG LYS A 65 0.317 10.506 -5.562 1.00 0.00 C ATOM 1017 CD LYS A 65 -0.576 11.469 -6.340 1.00 0.00 C ATOM 1018 CE LYS A 65 -1.782 10.767 -6.967 1.00 0.00 C ATOM 1019 NZ LYS A 65 -2.669 11.715 -7.683 1.00 0.00 N ATOM 0 H LYS A 65 0.599 8.252 -4.082 1.00 0.00 H new ATOM 0 HA LYS A 65 2.191 7.753 -6.495 1.00 0.00 H new ATOM 0 HB2 LYS A 65 1.465 9.943 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 65 0.115 8.880 -6.920 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -0.265 10.025 -4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 65 1.114 11.065 -5.072 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -0.924 12.257 -5.673 1.00 0.00 H new ATOM 0 HD3 LYS A 65 0.009 11.950 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -1.435 10.001 -7.661 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -2.350 10.258 -6.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.473 11.197 -8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.022 12.431 -7.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.136 12.183 -8.443 1.00 0.00 H new ATOM 1033 N GLU A 66 3.387 9.110 -3.932 1.00 0.00 N ATOM 1034 CA GLU A 66 4.573 9.763 -3.340 1.00 0.00 C ATOM 1035 C GLU A 66 5.379 8.735 -2.561 1.00 0.00 C ATOM 1036 O GLU A 66 6.418 9.026 -1.977 1.00 0.00 O ATOM 1037 CB GLU A 66 4.167 10.919 -2.424 1.00 0.00 C ATOM 1038 CG GLU A 66 3.358 10.488 -1.222 1.00 0.00 C ATOM 1039 CD GLU A 66 2.951 11.647 -0.350 1.00 0.00 C ATOM 1040 OE1 GLU A 66 3.739 12.057 0.522 1.00 0.00 O ATOM 1041 OE2 GLU A 66 1.830 12.182 -0.514 1.00 0.00 O ATOM 0 H GLU A 66 2.802 8.608 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 66 5.183 10.173 -4.145 1.00 0.00 H new ATOM 0 HB2 GLU A 66 5.066 11.432 -2.081 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.588 11.641 -3.000 1.00 0.00 H new ATOM 0 HG2 GLU A 66 2.465 9.962 -1.560 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.941 9.781 -0.631 1.00 0.00 H new