USER MOD reduce.3.24.130724 H: found=0, std=0, add=372, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 365 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 38 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 22 CYS SG : rot -86:sc= 1.3 USER MOD Set 2.2: A 26 CYS SG : rot 24:sc= 0.897 USER MOD Set 2.3: A 49 CYS SG : rot -130:sc= 0.103 USER MOD Set 2.4: A 52 CYS SG : rot -168:sc= -2.95! USER MOD Set 3.1: A 21 GLN : amide:sc= 0.245 X(o=-0.12,f=-0.42) USER MOD Set 3.2: A 27 ASN : amide:sc= -0.363 K(o=-0.12,f=-1.2) USER MOD Set 4.1: A 4 CYS SG : rot -84:sc= -0.512 USER MOD Set 4.2: A 9 CYS SG : rot 151:sc= 0.312 USER MOD Set 4.3: A 11 GLN : amide:sc= 0 X(o=-6.5,f=-6.8) USER MOD Set 4.4: A 31 HIS : no HD1:sc= -3.46! K(o=-6.5!,f=-8.3) USER MOD Set 4.5: A 34 CYS SG : rot 176:sc= -2.81! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -1.17 X(o=-1.2,f=-1.6) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 48 N CYS A 4 4.935 -0.904 -5.091 1.00 0.00 N ATOM 49 CA CYS A 4 6.056 -0.927 -6.040 1.00 0.00 C ATOM 50 C CYS A 4 6.758 0.456 -6.047 1.00 0.00 C ATOM 51 O CYS A 4 6.323 1.356 -6.766 1.00 0.00 O ATOM 52 CB CYS A 4 5.554 -1.301 -7.463 1.00 0.00 C ATOM 53 SG CYS A 4 6.812 -1.110 -8.754 1.00 0.00 S ATOM 0 HA CYS A 4 6.776 -1.684 -5.729 1.00 0.00 H new ATOM 0 HB2 CYS A 4 5.207 -2.334 -7.456 1.00 0.00 H new ATOM 0 HB3 CYS A 4 4.695 -0.678 -7.711 1.00 0.00 H new ATOM 0 HG CYS A 4 6.839 0.127 -9.154 1.00 0.00 H new ATOM 58 N PRO A 5 7.815 0.670 -5.194 1.00 0.00 N ATOM 59 CA PRO A 5 8.609 1.932 -5.195 1.00 0.00 C ATOM 60 C PRO A 5 9.594 2.008 -6.391 1.00 0.00 C ATOM 61 O PRO A 5 9.798 3.088 -6.952 1.00 0.00 O ATOM 62 CB PRO A 5 9.348 1.885 -3.834 1.00 0.00 C ATOM 63 CG PRO A 5 9.513 0.422 -3.548 1.00 0.00 C ATOM 64 CD PRO A 5 8.289 -0.269 -4.136 1.00 0.00 C ATOM 0 HA PRO A 5 7.987 2.820 -5.311 1.00 0.00 H new ATOM 0 HB2 PRO A 5 10.312 2.390 -3.888 1.00 0.00 H new ATOM 0 HB3 PRO A 5 8.772 2.380 -3.052 1.00 0.00 H new ATOM 0 HG2 PRO A 5 10.429 0.039 -3.997 1.00 0.00 H new ATOM 0 HG3 PRO A 5 9.584 0.241 -2.475 1.00 0.00 H new ATOM 0 HD2 PRO A 5 8.543 -1.244 -4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 5 7.523 -0.436 -3.379 1.00 0.00 H new ATOM 72 N ALA A 6 10.213 0.850 -6.728 1.00 0.00 N ATOM 73 CA ALA A 6 11.021 0.609 -7.961 1.00 0.00 C ATOM 74 C ALA A 6 12.094 1.686 -8.288 1.00 0.00 C ATOM 75 O ALA A 6 12.535 1.776 -9.446 1.00 0.00 O ATOM 76 CB ALA A 6 10.061 0.403 -9.152 1.00 0.00 C ATOM 0 H ALA A 6 10.165 0.025 -6.130 1.00 0.00 H new ATOM 0 HA ALA A 6 11.609 -0.288 -7.766 1.00 0.00 H new ATOM 0 HB1 ALA A 6 10.639 0.226 -10.059 1.00 0.00 H new ATOM 0 HB2 ALA A 6 9.419 -0.456 -8.957 1.00 0.00 H new ATOM 0 HB3 ALA A 6 9.446 1.293 -9.282 1.00 0.00 H new ATOM 82 N VAL A 7 12.540 2.440 -7.252 1.00 0.00 N ATOM 83 CA VAL A 7 13.415 3.632 -7.378 1.00 0.00 C ATOM 84 C VAL A 7 12.696 4.745 -8.194 1.00 0.00 C ATOM 85 O VAL A 7 12.219 5.737 -7.635 1.00 0.00 O ATOM 86 CB VAL A 7 14.832 3.285 -7.987 1.00 0.00 C ATOM 87 CG1 VAL A 7 15.736 4.536 -8.088 1.00 0.00 C ATOM 88 CG2 VAL A 7 15.532 2.153 -7.191 1.00 0.00 C ATOM 0 H VAL A 7 12.295 2.231 -6.284 1.00 0.00 H new ATOM 0 HA VAL A 7 13.604 4.007 -6.372 1.00 0.00 H new ATOM 0 HB VAL A 7 14.662 2.922 -9.001 1.00 0.00 H new ATOM 0 HG11 VAL A 7 16.700 4.255 -8.511 1.00 0.00 H new ATOM 0 HG12 VAL A 7 15.260 5.278 -8.730 1.00 0.00 H new ATOM 0 HG13 VAL A 7 15.885 4.958 -7.094 1.00 0.00 H new ATOM 0 HG21 VAL A 7 16.503 1.941 -7.638 1.00 0.00 H new ATOM 0 HG22 VAL A 7 15.669 2.467 -6.156 1.00 0.00 H new ATOM 0 HG23 VAL A 7 14.916 1.254 -7.219 1.00 0.00 H new ATOM 98 N SER A 8 12.612 4.552 -9.515 1.00 0.00 N ATOM 99 CA SER A 8 11.876 5.433 -10.439 1.00 0.00 C ATOM 100 C SER A 8 10.616 4.692 -10.919 1.00 0.00 C ATOM 101 O SER A 8 10.597 4.067 -11.987 1.00 0.00 O ATOM 102 CB SER A 8 12.791 5.832 -11.620 1.00 0.00 C ATOM 103 OG SER A 8 13.977 6.451 -11.156 1.00 0.00 O ATOM 0 H SER A 8 13.061 3.765 -9.984 1.00 0.00 H new ATOM 0 HA SER A 8 11.572 6.352 -9.937 1.00 0.00 H new ATOM 0 HB2 SER A 8 13.043 4.947 -12.205 1.00 0.00 H new ATOM 0 HB3 SER A 8 12.258 6.512 -12.284 1.00 0.00 H new ATOM 0 HG SER A 8 14.540 6.693 -11.920 1.00 0.00 H new ATOM 109 N CYS A 9 9.579 4.713 -10.072 1.00 0.00 N ATOM 110 CA CYS A 9 8.313 4.027 -10.339 1.00 0.00 C ATOM 111 C CYS A 9 7.394 4.900 -11.197 1.00 0.00 C ATOM 112 O CYS A 9 6.618 5.717 -10.671 1.00 0.00 O ATOM 113 CB CYS A 9 7.611 3.612 -9.023 1.00 0.00 C ATOM 114 SG CYS A 9 6.076 2.662 -9.265 1.00 0.00 S ATOM 0 H CYS A 9 9.597 5.208 -9.180 1.00 0.00 H new ATOM 0 HA CYS A 9 8.537 3.117 -10.896 1.00 0.00 H new ATOM 0 HB2 CYS A 9 8.303 3.017 -8.427 1.00 0.00 H new ATOM 0 HB3 CYS A 9 7.383 4.509 -8.447 1.00 0.00 H new ATOM 0 HG CYS A 9 5.892 1.869 -8.251 1.00 0.00 H new ATOM 119 N LEU A 10 7.556 4.776 -12.533 1.00 0.00 N ATOM 120 CA LEU A 10 6.560 5.276 -13.492 1.00 0.00 C ATOM 121 C LEU A 10 5.287 4.452 -13.306 1.00 0.00 C ATOM 122 O LEU A 10 5.296 3.240 -13.563 1.00 0.00 O ATOM 123 CB LEU A 10 7.056 5.169 -14.966 1.00 0.00 C ATOM 124 CG LEU A 10 8.368 5.940 -15.327 1.00 0.00 C ATOM 125 CD1 LEU A 10 8.686 5.829 -16.840 1.00 0.00 C ATOM 126 CD2 LEU A 10 8.305 7.417 -14.864 1.00 0.00 C ATOM 0 H LEU A 10 8.367 4.334 -12.966 1.00 0.00 H new ATOM 0 HA LEU A 10 6.379 6.334 -13.301 1.00 0.00 H new ATOM 0 HB2 LEU A 10 7.207 4.115 -15.198 1.00 0.00 H new ATOM 0 HB3 LEU A 10 6.260 5.528 -15.619 1.00 0.00 H new ATOM 0 HG LEU A 10 9.187 5.468 -14.785 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.603 6.375 -17.060 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.814 4.781 -17.109 1.00 0.00 H new ATOM 0 HD13 LEU A 10 7.864 6.253 -17.417 1.00 0.00 H new ATOM 0 HD21 LEU A 10 9.233 7.922 -15.131 1.00 0.00 H new ATOM 0 HD22 LEU A 10 7.467 7.916 -15.351 1.00 0.00 H new ATOM 0 HD23 LEU A 10 8.170 7.454 -13.783 1.00 0.00 H new ATOM 138 N GLN A 11 4.233 5.094 -12.788 1.00 0.00 N ATOM 139 CA GLN A 11 2.964 4.445 -12.445 1.00 0.00 C ATOM 140 C GLN A 11 1.902 4.741 -13.517 1.00 0.00 C ATOM 141 O GLN A 11 1.378 5.855 -13.581 1.00 0.00 O ATOM 142 CB GLN A 11 2.475 4.901 -11.043 1.00 0.00 C ATOM 143 CG GLN A 11 3.393 4.453 -9.898 1.00 0.00 C ATOM 144 CD GLN A 11 2.861 4.789 -8.509 1.00 0.00 C ATOM 145 OE1 GLN A 11 2.178 5.797 -8.315 1.00 0.00 O ATOM 146 NE2 GLN A 11 3.155 3.938 -7.540 1.00 0.00 N ATOM 0 H GLN A 11 4.239 6.095 -12.593 1.00 0.00 H new ATOM 0 HA GLN A 11 3.126 3.368 -12.412 1.00 0.00 H new ATOM 0 HB2 GLN A 11 2.396 5.988 -11.031 1.00 0.00 H new ATOM 0 HB3 GLN A 11 1.474 4.507 -10.870 1.00 0.00 H new ATOM 0 HG2 GLN A 11 3.544 3.376 -9.967 1.00 0.00 H new ATOM 0 HG3 GLN A 11 4.369 4.920 -10.025 1.00 0.00 H new ATOM 0 HE21 GLN A 11 3.723 3.115 -7.739 1.00 0.00 H new ATOM 0 HE22 GLN A 11 2.814 4.105 -6.593 1.00 0.00 H new ATOM 155 N PRO A 12 1.624 3.761 -14.419 1.00 0.00 N ATOM 156 CA PRO A 12 0.426 3.784 -15.275 1.00 0.00 C ATOM 157 C PRO A 12 -0.806 3.272 -14.507 1.00 0.00 C ATOM 158 O PRO A 12 -0.715 2.896 -13.328 1.00 0.00 O ATOM 159 CB PRO A 12 0.825 2.837 -16.422 1.00 0.00 C ATOM 160 CG PRO A 12 1.688 1.813 -15.755 1.00 0.00 C ATOM 161 CD PRO A 12 2.473 2.575 -14.710 1.00 0.00 C ATOM 0 HA PRO A 12 0.145 4.779 -15.621 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.049 2.382 -16.887 1.00 0.00 H new ATOM 0 HB3 PRO A 12 1.365 3.365 -17.207 1.00 0.00 H new ATOM 0 HG2 PRO A 12 1.086 1.027 -15.299 1.00 0.00 H new ATOM 0 HG3 PRO A 12 2.352 1.330 -16.472 1.00 0.00 H new ATOM 0 HD2 PRO A 12 2.638 1.973 -13.817 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.455 2.868 -15.083 1.00 0.00 H new ATOM 169 N GLU A 13 -1.947 3.239 -15.189 1.00 0.00 N ATOM 170 CA GLU A 13 -3.219 2.776 -14.616 1.00 0.00 C ATOM 171 C GLU A 13 -3.531 1.333 -15.077 1.00 0.00 C ATOM 172 O GLU A 13 -4.688 0.897 -15.039 1.00 0.00 O ATOM 173 CB GLU A 13 -4.333 3.775 -15.032 1.00 0.00 C ATOM 174 CG GLU A 13 -4.114 5.207 -14.489 1.00 0.00 C ATOM 175 CD GLU A 13 -5.182 6.208 -14.953 1.00 0.00 C ATOM 176 OE1 GLU A 13 -5.194 6.561 -16.152 1.00 0.00 O ATOM 177 OE2 GLU A 13 -6.020 6.651 -14.134 1.00 0.00 O ATOM 0 H GLU A 13 -2.022 3.534 -16.163 1.00 0.00 H new ATOM 0 HA GLU A 13 -3.158 2.747 -13.528 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -4.388 3.812 -16.120 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.294 3.403 -14.676 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -4.105 5.176 -13.399 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -3.133 5.561 -14.806 1.00 0.00 H new ATOM 184 N GLY A 14 -2.469 0.591 -15.457 1.00 0.00 N ATOM 185 CA GLY A 14 -2.598 -0.777 -15.982 1.00 0.00 C ATOM 186 C GLY A 14 -3.381 -0.806 -17.291 1.00 0.00 C ATOM 187 O GLY A 14 -4.126 -1.753 -17.558 1.00 0.00 O ATOM 0 H GLY A 14 -1.506 0.924 -15.407 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -1.607 -1.201 -16.141 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -3.098 -1.404 -15.244 1.00 0.00 H new ATOM 191 N ASP A 15 -3.170 0.259 -18.088 1.00 0.00 N ATOM 192 CA ASP A 15 -3.951 0.590 -19.299 1.00 0.00 C ATOM 193 C ASP A 15 -3.967 -0.595 -20.280 1.00 0.00 C ATOM 194 O ASP A 15 -5.007 -1.205 -20.536 1.00 0.00 O ATOM 195 CB ASP A 15 -3.334 1.851 -19.971 1.00 0.00 C ATOM 196 CG ASP A 15 -3.136 3.027 -18.989 1.00 0.00 C ATOM 197 OD1 ASP A 15 -2.139 3.023 -18.233 1.00 0.00 O ATOM 198 OD2 ASP A 15 -3.967 3.955 -18.961 1.00 0.00 O ATOM 0 H ASP A 15 -2.429 0.935 -17.902 1.00 0.00 H new ATOM 0 HA ASP A 15 -4.983 0.798 -19.016 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -2.372 1.587 -20.411 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.980 2.173 -20.788 1.00 0.00 H new ATOM 203 N GLU A 16 -2.774 -0.924 -20.774 1.00 0.00 N ATOM 204 CA GLU A 16 -2.502 -2.121 -21.587 1.00 0.00 C ATOM 205 C GLU A 16 -1.113 -2.670 -21.192 1.00 0.00 C ATOM 206 O GLU A 16 -0.510 -3.479 -21.908 1.00 0.00 O ATOM 207 CB GLU A 16 -2.554 -1.749 -23.097 1.00 0.00 C ATOM 208 CG GLU A 16 -1.606 -0.599 -23.504 1.00 0.00 C ATOM 209 CD GLU A 16 -1.569 -0.368 -25.022 1.00 0.00 C ATOM 210 OE1 GLU A 16 -2.422 0.377 -25.544 1.00 0.00 O ATOM 211 OE2 GLU A 16 -0.699 -0.953 -25.700 1.00 0.00 O ATOM 0 H GLU A 16 -1.943 -0.353 -20.618 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.253 -2.890 -21.408 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.307 -2.633 -23.685 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.576 -1.470 -23.355 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -1.922 0.319 -23.009 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.599 -0.821 -23.150 1.00 0.00 H new ATOM 218 N VAL A 17 -0.654 -2.255 -19.995 1.00 0.00 N ATOM 219 CA VAL A 17 0.743 -2.387 -19.565 1.00 0.00 C ATOM 220 C VAL A 17 1.044 -3.804 -19.092 1.00 0.00 C ATOM 221 O VAL A 17 0.384 -4.327 -18.186 1.00 0.00 O ATOM 222 CB VAL A 17 1.080 -1.364 -18.426 1.00 0.00 C ATOM 223 CG1 VAL A 17 2.591 -1.381 -18.054 1.00 0.00 C ATOM 224 CG2 VAL A 17 0.606 0.048 -18.831 1.00 0.00 C ATOM 0 H VAL A 17 -1.252 -1.815 -19.296 1.00 0.00 H new ATOM 0 HA VAL A 17 1.370 -2.169 -20.430 1.00 0.00 H new ATOM 0 HB VAL A 17 0.542 -1.665 -17.527 1.00 0.00 H new ATOM 0 HG11 VAL A 17 2.779 -0.657 -17.261 1.00 0.00 H new ATOM 0 HG12 VAL A 17 2.870 -2.377 -17.710 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.184 -1.121 -18.931 1.00 0.00 H new ATOM 0 HG21 VAL A 17 0.843 0.754 -18.035 1.00 0.00 H new ATOM 0 HG22 VAL A 17 1.111 0.352 -19.748 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -0.471 0.037 -18.996 1.00 0.00 H new ATOM 234 N ASP A 18 2.048 -4.399 -19.715 1.00 0.00 N ATOM 235 CA ASP A 18 2.555 -5.724 -19.342 1.00 0.00 C ATOM 236 C ASP A 18 3.533 -5.560 -18.183 1.00 0.00 C ATOM 237 O ASP A 18 4.212 -4.540 -18.079 1.00 0.00 O ATOM 238 CB ASP A 18 3.252 -6.411 -20.540 1.00 0.00 C ATOM 239 CG ASP A 18 2.307 -6.588 -21.741 1.00 0.00 C ATOM 240 OD1 ASP A 18 1.389 -7.426 -21.669 1.00 0.00 O ATOM 241 OD2 ASP A 18 2.461 -5.879 -22.756 1.00 0.00 O ATOM 0 H ASP A 18 2.543 -3.978 -20.501 1.00 0.00 H new ATOM 0 HA ASP A 18 1.721 -6.358 -19.041 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.115 -5.819 -20.844 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.628 -7.386 -20.229 1.00 0.00 H new ATOM 246 N TRP A 19 3.580 -6.538 -17.291 1.00 0.00 N ATOM 247 CA TRP A 19 4.433 -6.502 -16.102 1.00 0.00 C ATOM 248 C TRP A 19 5.476 -7.615 -16.195 1.00 0.00 C ATOM 249 O TRP A 19 5.136 -8.781 -16.434 1.00 0.00 O ATOM 250 CB TRP A 19 3.593 -6.666 -14.810 1.00 0.00 C ATOM 251 CG TRP A 19 2.732 -5.487 -14.399 1.00 0.00 C ATOM 252 CD1 TRP A 19 2.301 -4.428 -15.158 1.00 0.00 C ATOM 253 CD2 TRP A 19 2.177 -5.290 -13.099 1.00 0.00 C ATOM 254 NE1 TRP A 19 1.544 -3.577 -14.391 1.00 0.00 N ATOM 255 CE2 TRP A 19 1.449 -4.093 -13.124 1.00 0.00 C ATOM 256 CE3 TRP A 19 2.234 -6.029 -11.918 1.00 0.00 C ATOM 257 CZ2 TRP A 19 0.782 -3.610 -11.999 1.00 0.00 C ATOM 258 CZ3 TRP A 19 1.582 -5.552 -10.803 1.00 0.00 C ATOM 259 CH2 TRP A 19 0.860 -4.353 -10.849 1.00 0.00 C ATOM 0 H TRP A 19 3.023 -7.389 -17.369 1.00 0.00 H new ATOM 0 HA TRP A 19 4.932 -5.534 -16.058 1.00 0.00 H new ATOM 0 HB2 TRP A 19 2.944 -7.533 -14.934 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.273 -6.892 -13.989 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.524 -4.285 -16.205 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.122 -2.705 -14.711 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.780 -6.960 -11.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.225 -2.685 -12.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.628 -6.111 -9.880 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.354 -4.006 -9.960 1.00 0.00 H new ATOM 270 N VAL A 20 6.743 -7.237 -16.012 1.00 0.00 N ATOM 271 CA VAL A 20 7.864 -8.168 -15.964 1.00 0.00 C ATOM 272 C VAL A 20 8.322 -8.363 -14.506 1.00 0.00 C ATOM 273 O VAL A 20 8.586 -7.393 -13.774 1.00 0.00 O ATOM 274 CB VAL A 20 9.048 -7.702 -16.889 1.00 0.00 C ATOM 275 CG1 VAL A 20 9.516 -6.253 -16.579 1.00 0.00 C ATOM 276 CG2 VAL A 20 10.216 -8.713 -16.815 1.00 0.00 C ATOM 0 H VAL A 20 7.019 -6.262 -15.892 1.00 0.00 H new ATOM 0 HA VAL A 20 7.529 -9.130 -16.351 1.00 0.00 H new ATOM 0 HB VAL A 20 8.676 -7.681 -17.913 1.00 0.00 H new ATOM 0 HG11 VAL A 20 10.334 -5.984 -17.247 1.00 0.00 H new ATOM 0 HG12 VAL A 20 8.685 -5.563 -16.727 1.00 0.00 H new ATOM 0 HG13 VAL A 20 9.857 -6.194 -15.545 1.00 0.00 H new ATOM 0 HG21 VAL A 20 11.028 -8.378 -17.460 1.00 0.00 H new ATOM 0 HG22 VAL A 20 10.573 -8.782 -15.787 1.00 0.00 H new ATOM 0 HG23 VAL A 20 9.871 -9.693 -17.145 1.00 0.00 H new ATOM 286 N GLN A 21 8.378 -9.628 -14.089 1.00 0.00 N ATOM 287 CA GLN A 21 8.848 -10.033 -12.761 1.00 0.00 C ATOM 288 C GLN A 21 10.379 -10.174 -12.794 1.00 0.00 C ATOM 289 O GLN A 21 10.919 -10.854 -13.670 1.00 0.00 O ATOM 290 CB GLN A 21 8.158 -11.366 -12.369 1.00 0.00 C ATOM 291 CG GLN A 21 8.496 -11.902 -10.964 1.00 0.00 C ATOM 292 CD GLN A 21 7.718 -13.173 -10.606 1.00 0.00 C ATOM 293 OE1 GLN A 21 7.380 -13.989 -11.466 1.00 0.00 O ATOM 294 NE2 GLN A 21 7.424 -13.355 -9.331 1.00 0.00 N ATOM 0 H GLN A 21 8.094 -10.414 -14.673 1.00 0.00 H new ATOM 0 HA GLN A 21 8.592 -9.284 -12.012 1.00 0.00 H new ATOM 0 HB2 GLN A 21 7.079 -11.229 -12.436 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.430 -12.125 -13.103 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.565 -12.108 -10.907 1.00 0.00 H new ATOM 0 HG3 GLN A 21 8.281 -11.130 -10.225 1.00 0.00 H new ATOM 0 HE21 GLN A 21 7.714 -12.666 -8.637 1.00 0.00 H new ATOM 0 HE22 GLN A 21 6.907 -14.185 -9.040 1.00 0.00 H new ATOM 303 N CYS A 22 11.079 -9.503 -11.867 1.00 0.00 N ATOM 304 CA CYS A 22 12.549 -9.592 -11.770 1.00 0.00 C ATOM 305 C CYS A 22 12.936 -10.807 -10.923 1.00 0.00 C ATOM 306 O CYS A 22 13.210 -10.668 -9.741 1.00 0.00 O ATOM 307 CB CYS A 22 13.159 -8.300 -11.174 1.00 0.00 C ATOM 308 SG CYS A 22 14.987 -8.214 -11.254 1.00 0.00 S ATOM 0 H CYS A 22 10.652 -8.891 -11.171 1.00 0.00 H new ATOM 0 HA CYS A 22 12.952 -9.709 -12.776 1.00 0.00 H new ATOM 0 HB2 CYS A 22 12.744 -7.441 -11.701 1.00 0.00 H new ATOM 0 HB3 CYS A 22 12.849 -8.214 -10.132 1.00 0.00 H new ATOM 0 HG CYS A 22 15.495 -8.817 -10.221 1.00 0.00 H new ATOM 313 N ASP A 23 12.929 -11.998 -11.541 1.00 0.00 N ATOM 314 CA ASP A 23 13.323 -13.277 -10.885 1.00 0.00 C ATOM 315 C ASP A 23 14.753 -13.223 -10.312 1.00 0.00 C ATOM 316 O ASP A 23 15.076 -13.943 -9.364 1.00 0.00 O ATOM 317 CB ASP A 23 13.179 -14.454 -11.879 1.00 0.00 C ATOM 318 CG ASP A 23 11.704 -14.759 -12.214 1.00 0.00 C ATOM 319 OD1 ASP A 23 11.052 -13.936 -12.896 1.00 0.00 O ATOM 320 OD2 ASP A 23 11.179 -15.809 -11.775 1.00 0.00 O ATOM 0 H ASP A 23 12.650 -12.113 -12.515 1.00 0.00 H new ATOM 0 HA ASP A 23 12.648 -13.434 -10.044 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.717 -14.219 -12.797 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.645 -15.344 -11.455 1.00 0.00 H new ATOM 325 N GLY A 24 15.601 -12.375 -10.914 1.00 0.00 N ATOM 326 CA GLY A 24 16.888 -12.016 -10.324 1.00 0.00 C ATOM 327 C GLY A 24 16.706 -11.107 -9.105 1.00 0.00 C ATOM 328 O GLY A 24 16.266 -9.970 -9.274 1.00 0.00 O ATOM 0 H GLY A 24 15.413 -11.927 -11.811 1.00 0.00 H new ATOM 0 HA2 GLY A 24 17.421 -12.920 -10.030 1.00 0.00 H new ATOM 0 HA3 GLY A 24 17.504 -11.511 -11.068 1.00 0.00 H new ATOM 332 N SER A 25 16.882 -11.683 -7.897 1.00 0.00 N ATOM 333 CA SER A 25 17.140 -10.962 -6.619 1.00 0.00 C ATOM 334 C SER A 25 16.111 -9.850 -6.319 1.00 0.00 C ATOM 335 O SER A 25 16.468 -8.720 -5.969 1.00 0.00 O ATOM 336 CB SER A 25 18.600 -10.432 -6.600 1.00 0.00 C ATOM 337 OG SER A 25 19.513 -11.485 -6.832 1.00 0.00 O ATOM 0 H SER A 25 16.849 -12.695 -7.774 1.00 0.00 H new ATOM 0 HA SER A 25 17.015 -11.680 -5.809 1.00 0.00 H new ATOM 0 HB2 SER A 25 18.723 -9.662 -7.361 1.00 0.00 H new ATOM 0 HB3 SER A 25 18.811 -9.965 -5.638 1.00 0.00 H new ATOM 0 HG SER A 25 20.428 -11.134 -6.818 1.00 0.00 H new ATOM 343 N CYS A 26 14.837 -10.207 -6.468 1.00 0.00 N ATOM 344 CA CYS A 26 13.699 -9.297 -6.261 1.00 0.00 C ATOM 345 C CYS A 26 12.417 -10.127 -6.069 1.00 0.00 C ATOM 346 O CYS A 26 11.757 -10.031 -5.034 1.00 0.00 O ATOM 347 CB CYS A 26 13.526 -8.346 -7.471 1.00 0.00 C ATOM 348 SG CYS A 26 14.719 -6.985 -7.602 1.00 0.00 S ATOM 0 H CYS A 26 14.556 -11.149 -6.740 1.00 0.00 H new ATOM 0 HA CYS A 26 13.890 -8.692 -5.374 1.00 0.00 H new ATOM 0 HB2 CYS A 26 13.583 -8.940 -8.383 1.00 0.00 H new ATOM 0 HB3 CYS A 26 12.524 -7.919 -7.430 1.00 0.00 H new ATOM 0 HG CYS A 26 15.805 -7.297 -6.960 1.00 0.00 H new ATOM 353 N ASN A 27 12.060 -10.896 -7.137 1.00 0.00 N ATOM 354 CA ASN A 27 10.789 -11.670 -7.253 1.00 0.00 C ATOM 355 C ASN A 27 9.575 -10.716 -7.433 1.00 0.00 C ATOM 356 O ASN A 27 8.435 -11.144 -7.536 1.00 0.00 O ATOM 357 CB ASN A 27 10.590 -12.644 -6.042 1.00 0.00 C ATOM 358 CG ASN A 27 9.419 -13.622 -6.212 1.00 0.00 C ATOM 359 OD1 ASN A 27 9.177 -14.140 -7.303 1.00 0.00 O ATOM 360 ND2 ASN A 27 8.665 -13.831 -5.153 1.00 0.00 N ATOM 0 H ASN A 27 12.659 -10.997 -7.957 1.00 0.00 H new ATOM 0 HA ASN A 27 10.858 -12.291 -8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 27 11.507 -13.214 -5.893 1.00 0.00 H new ATOM 0 HB3 ASN A 27 10.430 -12.056 -5.138 1.00 0.00 H new ATOM 0 HD21 ASN A 27 7.849 -14.439 -5.220 1.00 0.00 H new ATOM 0 HD22 ASN A 27 8.897 -13.385 -4.266 1.00 0.00 H new ATOM 367 N GLN A 28 9.857 -9.406 -7.528 1.00 0.00 N ATOM 368 CA GLN A 28 8.838 -8.344 -7.540 1.00 0.00 C ATOM 369 C GLN A 28 8.342 -8.099 -8.971 1.00 0.00 C ATOM 370 O GLN A 28 9.126 -8.154 -9.929 1.00 0.00 O ATOM 371 CB GLN A 28 9.444 -7.047 -6.960 1.00 0.00 C ATOM 372 CG GLN A 28 10.041 -7.203 -5.553 1.00 0.00 C ATOM 373 CD GLN A 28 10.723 -5.931 -5.072 1.00 0.00 C ATOM 374 OE1 GLN A 28 11.916 -5.725 -5.305 1.00 0.00 O ATOM 375 NE2 GLN A 28 9.962 -5.067 -4.430 1.00 0.00 N ATOM 0 H GLN A 28 10.810 -9.051 -7.599 1.00 0.00 H new ATOM 0 HA GLN A 28 7.990 -8.653 -6.929 1.00 0.00 H new ATOM 0 HB2 GLN A 28 10.222 -6.690 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 28 8.670 -6.280 -6.931 1.00 0.00 H new ATOM 0 HG2 GLN A 28 9.251 -7.476 -4.854 1.00 0.00 H new ATOM 0 HG3 GLN A 28 10.762 -8.021 -5.555 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.979 -5.281 -4.260 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.356 -4.185 -4.103 1.00 0.00 H new ATOM 384 N TRP A 29 7.042 -7.816 -9.086 1.00 0.00 N ATOM 385 CA TRP A 29 6.381 -7.502 -10.356 1.00 0.00 C ATOM 386 C TRP A 29 6.483 -5.996 -10.644 1.00 0.00 C ATOM 387 O TRP A 29 5.917 -5.170 -9.919 1.00 0.00 O ATOM 388 CB TRP A 29 4.904 -7.970 -10.305 1.00 0.00 C ATOM 389 CG TRP A 29 4.745 -9.466 -10.415 1.00 0.00 C ATOM 390 CD1 TRP A 29 5.017 -10.409 -9.462 1.00 0.00 C ATOM 391 CD2 TRP A 29 4.279 -10.180 -11.560 1.00 0.00 C ATOM 392 NE1 TRP A 29 4.754 -11.662 -9.955 1.00 0.00 N ATOM 393 CE2 TRP A 29 4.298 -11.546 -11.245 1.00 0.00 C ATOM 394 CE3 TRP A 29 3.847 -9.779 -12.823 1.00 0.00 C ATOM 395 CZ2 TRP A 29 3.903 -12.521 -12.153 1.00 0.00 C ATOM 396 CZ3 TRP A 29 3.455 -10.740 -13.728 1.00 0.00 C ATOM 397 CH2 TRP A 29 3.484 -12.102 -13.391 1.00 0.00 C ATOM 0 H TRP A 29 6.409 -7.798 -8.287 1.00 0.00 H new ATOM 0 HA TRP A 29 6.878 -8.032 -11.169 1.00 0.00 H new ATOM 0 HB2 TRP A 29 4.456 -7.632 -9.371 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.351 -7.493 -11.114 1.00 0.00 H new ATOM 0 HD1 TRP A 29 5.384 -10.198 -8.469 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.877 -12.537 -9.446 1.00 0.00 H new ATOM 0 HE3 TRP A 29 3.820 -8.732 -13.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.925 -13.569 -11.894 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 3.121 -10.441 -14.711 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.171 -12.835 -14.120 1.00 0.00 H new ATOM 408 N PHE A 30 7.252 -5.663 -11.683 1.00 0.00 N ATOM 409 CA PHE A 30 7.442 -4.283 -12.152 1.00 0.00 C ATOM 410 C PHE A 30 6.696 -4.098 -13.481 1.00 0.00 C ATOM 411 O PHE A 30 6.711 -4.992 -14.322 1.00 0.00 O ATOM 412 CB PHE A 30 8.951 -3.984 -12.344 1.00 0.00 C ATOM 413 CG PHE A 30 9.787 -4.156 -11.077 1.00 0.00 C ATOM 414 CD1 PHE A 30 9.739 -3.205 -10.057 1.00 0.00 C ATOM 415 CD2 PHE A 30 10.632 -5.253 -10.914 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.502 -3.353 -8.913 1.00 0.00 C ATOM 417 CE2 PHE A 30 11.393 -5.400 -9.768 1.00 0.00 C ATOM 418 CZ PHE A 30 11.331 -4.450 -8.771 1.00 0.00 C ATOM 0 H PHE A 30 7.768 -6.351 -12.231 1.00 0.00 H new ATOM 0 HA PHE A 30 7.045 -3.590 -11.410 1.00 0.00 H new ATOM 0 HB2 PHE A 30 9.345 -4.642 -13.119 1.00 0.00 H new ATOM 0 HB3 PHE A 30 9.065 -2.962 -12.706 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.098 -2.342 -10.162 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.693 -5.998 -11.693 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.450 -2.611 -8.130 1.00 0.00 H new ATOM 0 HE2 PHE A 30 12.036 -6.260 -9.654 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.930 -4.563 -7.879 1.00 0.00 H new ATOM 428 N HIS A 31 6.061 -2.929 -13.659 1.00 0.00 N ATOM 429 CA HIS A 31 5.388 -2.561 -14.932 1.00 0.00 C ATOM 430 C HIS A 31 6.461 -2.348 -16.008 1.00 0.00 C ATOM 431 O HIS A 31 7.619 -2.036 -15.686 1.00 0.00 O ATOM 432 CB HIS A 31 4.453 -1.290 -14.783 1.00 0.00 C ATOM 433 CG HIS A 31 4.255 -0.842 -13.358 1.00 0.00 C ATOM 434 ND1 HIS A 31 3.808 -1.672 -12.368 1.00 0.00 N ATOM 435 CD2 HIS A 31 4.754 0.234 -12.748 1.00 0.00 C ATOM 436 CE1 HIS A 31 4.091 -1.088 -11.204 1.00 0.00 C ATOM 437 NE2 HIS A 31 4.706 0.083 -11.384 1.00 0.00 N ATOM 0 H HIS A 31 5.995 -2.212 -12.936 1.00 0.00 H new ATOM 0 HA HIS A 31 4.727 -3.376 -15.225 1.00 0.00 H new ATOM 0 HB2 HIS A 31 4.881 -0.467 -15.356 1.00 0.00 H new ATOM 0 HB3 HIS A 31 3.481 -1.513 -15.222 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.142 1.104 -13.257 1.00 0.00 H new ATOM 0 HE1 HIS A 31 3.853 -1.509 -10.238 1.00 0.00 H new ATOM 0 HE2 HIS A 31 5.060 0.721 -10.671 1.00 0.00 H new ATOM 445 N GLN A 32 6.062 -2.534 -17.263 1.00 0.00 N ATOM 446 CA GLN A 32 6.924 -2.430 -18.446 1.00 0.00 C ATOM 447 C GLN A 32 7.687 -1.084 -18.461 1.00 0.00 C ATOM 448 O GLN A 32 8.919 -1.040 -18.570 1.00 0.00 O ATOM 449 CB GLN A 32 6.005 -2.559 -19.691 1.00 0.00 C ATOM 450 CG GLN A 32 6.709 -2.952 -20.978 1.00 0.00 C ATOM 451 CD GLN A 32 5.776 -2.951 -22.182 1.00 0.00 C ATOM 452 OE1 GLN A 32 5.597 -1.930 -22.846 1.00 0.00 O ATOM 453 NE2 GLN A 32 5.165 -4.088 -22.466 1.00 0.00 N ATOM 0 H GLN A 32 5.098 -2.769 -17.497 1.00 0.00 H new ATOM 0 HA GLN A 32 7.678 -3.217 -18.440 1.00 0.00 H new ATOM 0 HB2 GLN A 32 5.233 -3.299 -19.478 1.00 0.00 H new ATOM 0 HB3 GLN A 32 5.499 -1.607 -19.849 1.00 0.00 H new ATOM 0 HG2 GLN A 32 7.533 -2.263 -21.162 1.00 0.00 H new ATOM 0 HG3 GLN A 32 7.144 -3.945 -20.861 1.00 0.00 H new ATOM 0 HE21 GLN A 32 5.336 -4.916 -21.895 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.522 -4.138 -23.256 1.00 0.00 H new ATOM 462 N VAL A 33 6.909 -0.004 -18.270 1.00 0.00 N ATOM 463 CA VAL A 33 7.417 1.378 -18.274 1.00 0.00 C ATOM 464 C VAL A 33 8.249 1.697 -17.006 1.00 0.00 C ATOM 465 O VAL A 33 9.162 2.528 -17.054 1.00 0.00 O ATOM 466 CB VAL A 33 6.233 2.408 -18.423 1.00 0.00 C ATOM 467 CG1 VAL A 33 5.410 2.123 -19.706 1.00 0.00 C ATOM 468 CG2 VAL A 33 5.322 2.432 -17.162 1.00 0.00 C ATOM 0 H VAL A 33 5.904 -0.067 -18.108 1.00 0.00 H new ATOM 0 HA VAL A 33 8.079 1.472 -19.134 1.00 0.00 H new ATOM 0 HB VAL A 33 6.674 3.400 -18.517 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.599 2.847 -19.786 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.057 2.205 -20.579 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.994 1.117 -19.656 1.00 0.00 H new ATOM 0 HG21 VAL A 33 4.519 3.155 -17.307 1.00 0.00 H new ATOM 0 HG22 VAL A 33 4.895 1.442 -17.003 1.00 0.00 H new ATOM 0 HG23 VAL A 33 5.913 2.716 -16.291 1.00 0.00 H new ATOM 478 N CYS A 34 7.927 1.009 -15.885 1.00 0.00 N ATOM 479 CA CYS A 34 8.546 1.259 -14.551 1.00 0.00 C ATOM 480 C CYS A 34 10.076 1.089 -14.586 1.00 0.00 C ATOM 481 O CYS A 34 10.825 1.957 -14.134 1.00 0.00 O ATOM 482 CB CYS A 34 7.954 0.290 -13.506 1.00 0.00 C ATOM 483 SG CYS A 34 8.235 0.769 -11.776 1.00 0.00 S ATOM 0 H CYS A 34 7.231 0.264 -15.875 1.00 0.00 H new ATOM 0 HA CYS A 34 8.324 2.291 -14.278 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.880 0.207 -13.675 1.00 0.00 H new ATOM 0 HB3 CYS A 34 8.380 -0.700 -13.668 1.00 0.00 H new ATOM 0 HG CYS A 34 7.620 -0.064 -10.990 1.00 0.00 H new ATOM 488 N VAL A 35 10.507 -0.045 -15.156 1.00 0.00 N ATOM 489 CA VAL A 35 11.933 -0.422 -15.263 1.00 0.00 C ATOM 490 C VAL A 35 12.522 -0.020 -16.631 1.00 0.00 C ATOM 491 O VAL A 35 13.691 -0.303 -16.906 1.00 0.00 O ATOM 492 CB VAL A 35 12.126 -1.967 -14.990 1.00 0.00 C ATOM 493 CG1 VAL A 35 12.030 -2.277 -13.470 1.00 0.00 C ATOM 494 CG2 VAL A 35 11.097 -2.813 -15.795 1.00 0.00 C ATOM 0 H VAL A 35 9.875 -0.735 -15.561 1.00 0.00 H new ATOM 0 HA VAL A 35 12.481 0.128 -14.498 1.00 0.00 H new ATOM 0 HB VAL A 35 13.124 -2.244 -15.330 1.00 0.00 H new ATOM 0 HG11 VAL A 35 12.166 -3.346 -13.307 1.00 0.00 H new ATOM 0 HG12 VAL A 35 12.806 -1.727 -12.937 1.00 0.00 H new ATOM 0 HG13 VAL A 35 11.051 -1.975 -13.098 1.00 0.00 H new ATOM 0 HG21 VAL A 35 11.254 -3.871 -15.587 1.00 0.00 H new ATOM 0 HG22 VAL A 35 10.086 -2.532 -15.501 1.00 0.00 H new ATOM 0 HG23 VAL A 35 11.230 -2.629 -16.861 1.00 0.00 H new ATOM 504 N GLY A 36 11.700 0.641 -17.478 1.00 0.00 N ATOM 505 CA GLY A 36 12.146 1.151 -18.784 1.00 0.00 C ATOM 506 C GLY A 36 12.417 0.057 -19.816 1.00 0.00 C ATOM 507 O GLY A 36 13.125 0.283 -20.806 1.00 0.00 O ATOM 0 H GLY A 36 10.719 0.832 -17.273 1.00 0.00 H new ATOM 0 HA2 GLY A 36 11.387 1.828 -19.177 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.054 1.737 -18.643 1.00 0.00 H new ATOM 511 N VAL A 37 11.846 -1.132 -19.579 1.00 0.00 N ATOM 512 CA VAL A 37 11.962 -2.283 -20.483 1.00 0.00 C ATOM 513 C VAL A 37 10.872 -2.174 -21.564 1.00 0.00 C ATOM 514 O VAL A 37 9.692 -2.067 -21.238 1.00 0.00 O ATOM 515 CB VAL A 37 11.850 -3.637 -19.679 1.00 0.00 C ATOM 516 CG1 VAL A 37 11.780 -4.869 -20.612 1.00 0.00 C ATOM 517 CG2 VAL A 37 13.027 -3.776 -18.678 1.00 0.00 C ATOM 0 H VAL A 37 11.286 -1.323 -18.748 1.00 0.00 H new ATOM 0 HA VAL A 37 12.940 -2.280 -20.965 1.00 0.00 H new ATOM 0 HB VAL A 37 10.914 -3.603 -19.122 1.00 0.00 H new ATOM 0 HG11 VAL A 37 11.704 -5.776 -20.012 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.906 -4.787 -21.258 1.00 0.00 H new ATOM 0 HG13 VAL A 37 12.681 -4.914 -21.224 1.00 0.00 H new ATOM 0 HG21 VAL A 37 12.932 -4.715 -18.133 1.00 0.00 H new ATOM 0 HG22 VAL A 37 13.971 -3.766 -19.223 1.00 0.00 H new ATOM 0 HG23 VAL A 37 13.006 -2.944 -17.974 1.00 0.00 H new ATOM 527 N SER A 38 11.292 -2.136 -22.837 1.00 0.00 N ATOM 528 CA SER A 38 10.375 -2.092 -23.994 1.00 0.00 C ATOM 529 C SER A 38 9.683 -3.470 -24.187 1.00 0.00 C ATOM 530 O SER A 38 10.199 -4.480 -23.697 1.00 0.00 O ATOM 531 CB SER A 38 11.173 -1.696 -25.262 1.00 0.00 C ATOM 532 OG SER A 38 11.866 -0.468 -25.084 1.00 0.00 O ATOM 0 H SER A 38 12.278 -2.135 -23.098 1.00 0.00 H new ATOM 0 HA SER A 38 9.598 -1.349 -23.815 1.00 0.00 H new ATOM 0 HB2 SER A 38 11.886 -2.484 -25.505 1.00 0.00 H new ATOM 0 HB3 SER A 38 10.492 -1.610 -26.109 1.00 0.00 H new ATOM 0 HG SER A 38 12.360 -0.249 -25.902 1.00 0.00 H new ATOM 538 N PRO A 39 8.487 -3.540 -24.886 1.00 0.00 N ATOM 539 CA PRO A 39 7.790 -4.828 -25.193 1.00 0.00 C ATOM 540 C PRO A 39 8.703 -5.872 -25.868 1.00 0.00 C ATOM 541 O PRO A 39 8.652 -7.066 -25.545 1.00 0.00 O ATOM 542 CB PRO A 39 6.655 -4.400 -26.162 1.00 0.00 C ATOM 543 CG PRO A 39 6.378 -2.971 -25.819 1.00 0.00 C ATOM 544 CD PRO A 39 7.701 -2.374 -25.386 1.00 0.00 C ATOM 0 HA PRO A 39 7.443 -5.317 -24.283 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.963 -4.504 -27.202 1.00 0.00 H new ATOM 0 HB3 PRO A 39 5.767 -5.018 -26.029 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.973 -2.436 -26.678 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.639 -2.899 -25.021 1.00 0.00 H new ATOM 0 HD2 PRO A 39 8.206 -1.881 -26.217 1.00 0.00 H new ATOM 0 HD3 PRO A 39 7.563 -1.624 -24.607 1.00 0.00 H new ATOM 552 N GLU A 40 9.553 -5.371 -26.783 1.00 0.00 N ATOM 553 CA GLU A 40 10.513 -6.187 -27.548 1.00 0.00 C ATOM 554 C GLU A 40 11.554 -6.819 -26.595 1.00 0.00 C ATOM 555 O GLU A 40 11.869 -8.004 -26.716 1.00 0.00 O ATOM 556 CB GLU A 40 11.191 -5.291 -28.641 1.00 0.00 C ATOM 557 CG GLU A 40 11.902 -6.033 -29.806 1.00 0.00 C ATOM 558 CD GLU A 40 13.193 -6.783 -29.416 1.00 0.00 C ATOM 559 OE1 GLU A 40 14.069 -6.168 -28.769 1.00 0.00 O ATOM 560 OE2 GLU A 40 13.337 -7.978 -29.752 1.00 0.00 O ATOM 0 H GLU A 40 9.593 -4.378 -27.014 1.00 0.00 H new ATOM 0 HA GLU A 40 9.994 -7.005 -28.048 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.429 -4.639 -29.067 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.922 -4.649 -28.150 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.203 -6.747 -30.241 1.00 0.00 H new ATOM 0 HG3 GLU A 40 12.143 -5.308 -30.584 1.00 0.00 H new ATOM 567 N MET A 41 12.067 -6.004 -25.649 1.00 0.00 N ATOM 568 CA MET A 41 13.078 -6.433 -24.651 1.00 0.00 C ATOM 569 C MET A 41 12.489 -7.531 -23.738 1.00 0.00 C ATOM 570 O MET A 41 13.083 -8.602 -23.559 1.00 0.00 O ATOM 571 CB MET A 41 13.530 -5.220 -23.798 1.00 0.00 C ATOM 572 CG MET A 41 14.112 -4.042 -24.589 1.00 0.00 C ATOM 573 SD MET A 41 14.402 -2.604 -23.525 1.00 0.00 S ATOM 574 CE MET A 41 15.104 -1.423 -24.675 1.00 0.00 C ATOM 0 H MET A 41 11.793 -5.026 -25.553 1.00 0.00 H new ATOM 0 HA MET A 41 13.943 -6.838 -25.177 1.00 0.00 H new ATOM 0 HB2 MET A 41 12.676 -4.863 -23.223 1.00 0.00 H new ATOM 0 HB3 MET A 41 14.278 -5.560 -23.081 1.00 0.00 H new ATOM 0 HG2 MET A 41 15.049 -4.344 -25.057 1.00 0.00 H new ATOM 0 HG3 MET A 41 13.428 -3.769 -25.393 1.00 0.00 H new ATOM 0 HE1 MET A 41 15.329 -0.494 -24.151 1.00 0.00 H new ATOM 0 HE2 MET A 41 16.021 -1.830 -25.101 1.00 0.00 H new ATOM 0 HE3 MET A 41 14.390 -1.225 -25.474 1.00 0.00 H new ATOM 584 N ALA A 42 11.269 -7.261 -23.230 1.00 0.00 N ATOM 585 CA ALA A 42 10.526 -8.174 -22.328 1.00 0.00 C ATOM 586 C ALA A 42 10.202 -9.514 -23.019 1.00 0.00 C ATOM 587 O ALA A 42 10.068 -10.545 -22.353 1.00 0.00 O ATOM 588 CB ALA A 42 9.235 -7.489 -21.830 1.00 0.00 C ATOM 0 H ALA A 42 10.765 -6.398 -23.434 1.00 0.00 H new ATOM 0 HA ALA A 42 11.162 -8.396 -21.471 1.00 0.00 H new ATOM 0 HB1 ALA A 42 8.696 -8.167 -21.168 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.492 -6.579 -21.287 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.605 -7.237 -22.683 1.00 0.00 H new ATOM 594 N GLU A 43 10.094 -9.481 -24.362 1.00 0.00 N ATOM 595 CA GLU A 43 9.792 -10.668 -25.176 1.00 0.00 C ATOM 596 C GLU A 43 11.077 -11.479 -25.479 1.00 0.00 C ATOM 597 O GLU A 43 11.119 -12.691 -25.244 1.00 0.00 O ATOM 598 CB GLU A 43 9.096 -10.236 -26.499 1.00 0.00 C ATOM 599 CG GLU A 43 8.577 -11.393 -27.380 1.00 0.00 C ATOM 600 CD GLU A 43 7.481 -12.249 -26.709 1.00 0.00 C ATOM 601 OE1 GLU A 43 6.287 -11.894 -26.798 1.00 0.00 O ATOM 602 OE2 GLU A 43 7.804 -13.276 -26.082 1.00 0.00 O ATOM 0 H GLU A 43 10.214 -8.629 -24.910 1.00 0.00 H new ATOM 0 HA GLU A 43 9.118 -11.312 -24.611 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.258 -9.584 -26.253 1.00 0.00 H new ATOM 0 HB3 GLU A 43 9.800 -9.643 -27.084 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.184 -10.981 -28.309 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.415 -12.037 -27.647 1.00 0.00 H new ATOM 609 N LYS A 44 12.130 -10.799 -25.987 1.00 0.00 N ATOM 610 CA LYS A 44 13.318 -11.480 -26.555 1.00 0.00 C ATOM 611 C LYS A 44 14.396 -11.695 -25.469 1.00 0.00 C ATOM 612 O LYS A 44 14.707 -12.843 -25.135 1.00 0.00 O ATOM 613 CB LYS A 44 13.866 -10.627 -27.749 1.00 0.00 C ATOM 614 CG LYS A 44 14.819 -11.333 -28.759 1.00 0.00 C ATOM 615 CD LYS A 44 16.268 -11.530 -28.239 1.00 0.00 C ATOM 616 CE LYS A 44 17.218 -12.112 -29.299 1.00 0.00 C ATOM 617 NZ LYS A 44 18.609 -12.247 -28.783 1.00 0.00 N ATOM 0 H LYS A 44 12.182 -9.781 -26.016 1.00 0.00 H new ATOM 0 HA LYS A 44 13.037 -12.466 -26.924 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.012 -10.240 -28.306 1.00 0.00 H new ATOM 0 HB3 LYS A 44 14.392 -9.767 -27.335 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.402 -12.307 -29.014 1.00 0.00 H new ATOM 0 HG3 LYS A 44 14.852 -10.749 -29.679 1.00 0.00 H new ATOM 0 HD2 LYS A 44 16.658 -10.571 -27.898 1.00 0.00 H new ATOM 0 HD3 LYS A 44 16.250 -12.193 -27.374 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.852 -13.088 -29.617 1.00 0.00 H new ATOM 0 HE3 LYS A 44 17.218 -11.469 -30.179 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 19.218 -12.643 -29.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 18.968 -11.312 -28.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 18.613 -12.881 -27.959 1.00 0.00 H new ATOM 631 N GLU A 45 14.890 -10.589 -24.867 1.00 0.00 N ATOM 632 CA GLU A 45 16.043 -10.612 -23.923 1.00 0.00 C ATOM 633 C GLU A 45 16.174 -9.297 -23.146 1.00 0.00 C ATOM 634 O GLU A 45 15.819 -8.221 -23.641 1.00 0.00 O ATOM 635 CB GLU A 45 17.411 -10.905 -24.644 1.00 0.00 C ATOM 636 CG GLU A 45 17.823 -12.390 -24.694 1.00 0.00 C ATOM 637 CD GLU A 45 17.892 -13.047 -23.299 1.00 0.00 C ATOM 638 OE1 GLU A 45 18.583 -12.507 -22.397 1.00 0.00 O ATOM 639 OE2 GLU A 45 17.262 -14.100 -23.089 1.00 0.00 O ATOM 0 H GLU A 45 14.506 -9.656 -25.018 1.00 0.00 H new ATOM 0 HA GLU A 45 15.829 -11.426 -23.230 1.00 0.00 H new ATOM 0 HB2 GLU A 45 17.354 -10.526 -25.664 1.00 0.00 H new ATOM 0 HB3 GLU A 45 18.197 -10.343 -24.139 1.00 0.00 H new ATOM 0 HG2 GLU A 45 17.111 -12.938 -25.312 1.00 0.00 H new ATOM 0 HG3 GLU A 45 18.796 -12.475 -25.177 1.00 0.00 H new ATOM 646 N ASP A 46 16.748 -9.436 -21.940 1.00 0.00 N ATOM 647 CA ASP A 46 17.139 -8.345 -21.037 1.00 0.00 C ATOM 648 C ASP A 46 15.927 -7.584 -20.458 1.00 0.00 C ATOM 649 O ASP A 46 15.296 -6.755 -21.130 1.00 0.00 O ATOM 650 CB ASP A 46 18.166 -7.376 -21.683 1.00 0.00 C ATOM 651 CG ASP A 46 18.719 -6.322 -20.701 1.00 0.00 C ATOM 652 OD1 ASP A 46 18.828 -6.604 -19.487 1.00 0.00 O ATOM 653 OD2 ASP A 46 19.094 -5.219 -21.144 1.00 0.00 O ATOM 0 H ASP A 46 16.961 -10.355 -21.552 1.00 0.00 H new ATOM 0 HA ASP A 46 17.639 -8.825 -20.196 1.00 0.00 H new ATOM 0 HB2 ASP A 46 18.996 -7.955 -22.087 1.00 0.00 H new ATOM 0 HB3 ASP A 46 17.694 -6.866 -22.523 1.00 0.00 H new ATOM 658 N TYR A 47 15.638 -7.892 -19.189 1.00 0.00 N ATOM 659 CA TYR A 47 14.606 -7.223 -18.387 1.00 0.00 C ATOM 660 C TYR A 47 14.980 -7.257 -16.888 1.00 0.00 C ATOM 661 O TYR A 47 14.154 -6.988 -16.004 1.00 0.00 O ATOM 662 CB TYR A 47 13.224 -7.878 -18.660 1.00 0.00 C ATOM 663 CG TYR A 47 13.221 -9.422 -18.651 1.00 0.00 C ATOM 664 CD1 TYR A 47 13.476 -10.147 -17.482 1.00 0.00 C ATOM 665 CD2 TYR A 47 12.952 -10.154 -19.815 1.00 0.00 C ATOM 666 CE1 TYR A 47 13.467 -11.530 -17.471 1.00 0.00 C ATOM 667 CE2 TYR A 47 12.938 -11.538 -19.806 1.00 0.00 C ATOM 668 CZ TYR A 47 13.199 -12.221 -18.633 1.00 0.00 C ATOM 669 OH TYR A 47 13.203 -13.603 -18.622 1.00 0.00 O ATOM 0 H TYR A 47 16.125 -8.629 -18.679 1.00 0.00 H new ATOM 0 HA TYR A 47 14.541 -6.174 -18.676 1.00 0.00 H new ATOM 0 HB2 TYR A 47 12.516 -7.524 -17.910 1.00 0.00 H new ATOM 0 HB3 TYR A 47 12.861 -7.534 -19.629 1.00 0.00 H new ATOM 0 HD1 TYR A 47 13.685 -9.614 -16.566 1.00 0.00 H new ATOM 0 HD2 TYR A 47 12.752 -9.628 -20.737 1.00 0.00 H new ATOM 0 HE1 TYR A 47 13.669 -12.066 -16.556 1.00 0.00 H new ATOM 0 HE2 TYR A 47 12.724 -12.083 -20.713 1.00 0.00 H new ATOM 0 HH TYR A 47 12.995 -13.938 -19.519 1.00 0.00 H new ATOM 679 N ILE A 48 16.255 -7.587 -16.633 1.00 0.00 N ATOM 680 CA ILE A 48 16.817 -7.730 -15.284 1.00 0.00 C ATOM 681 C ILE A 48 17.191 -6.338 -14.755 1.00 0.00 C ATOM 682 O ILE A 48 17.973 -5.640 -15.399 1.00 0.00 O ATOM 683 CB ILE A 48 18.094 -8.655 -15.308 1.00 0.00 C ATOM 684 CG1 ILE A 48 17.792 -10.021 -16.020 1.00 0.00 C ATOM 685 CG2 ILE A 48 18.656 -8.879 -13.880 1.00 0.00 C ATOM 686 CD1 ILE A 48 19.020 -10.899 -16.256 1.00 0.00 C ATOM 0 H ILE A 48 16.935 -7.765 -17.372 1.00 0.00 H new ATOM 0 HA ILE A 48 16.075 -8.192 -14.632 1.00 0.00 H new ATOM 0 HB ILE A 48 18.862 -8.141 -15.887 1.00 0.00 H new ATOM 0 HG12 ILE A 48 17.073 -10.578 -15.419 1.00 0.00 H new ATOM 0 HG13 ILE A 48 17.316 -9.818 -16.980 1.00 0.00 H new ATOM 0 HG21 ILE A 48 19.536 -9.521 -13.932 1.00 0.00 H new ATOM 0 HG22 ILE A 48 18.932 -7.919 -13.443 1.00 0.00 H new ATOM 0 HG23 ILE A 48 17.896 -9.355 -13.260 1.00 0.00 H new ATOM 0 HD11 ILE A 48 18.718 -11.821 -16.752 1.00 0.00 H new ATOM 0 HD12 ILE A 48 19.733 -10.366 -16.885 1.00 0.00 H new ATOM 0 HD13 ILE A 48 19.486 -11.137 -15.300 1.00 0.00 H new ATOM 698 N CYS A 49 16.628 -5.942 -13.588 1.00 0.00 N ATOM 699 CA CYS A 49 16.846 -4.589 -13.027 1.00 0.00 C ATOM 700 C CYS A 49 18.333 -4.400 -12.638 1.00 0.00 C ATOM 701 O CYS A 49 18.997 -5.376 -12.237 1.00 0.00 O ATOM 702 CB CYS A 49 15.920 -4.308 -11.812 1.00 0.00 C ATOM 703 SG CYS A 49 16.566 -4.848 -10.196 1.00 0.00 S ATOM 0 H CYS A 49 16.024 -6.537 -13.021 1.00 0.00 H new ATOM 0 HA CYS A 49 16.589 -3.866 -13.802 1.00 0.00 H new ATOM 0 HB2 CYS A 49 15.724 -3.237 -11.766 1.00 0.00 H new ATOM 0 HB3 CYS A 49 14.963 -4.800 -11.985 1.00 0.00 H new ATOM 0 HG CYS A 49 15.657 -5.538 -9.574 1.00 0.00 H new ATOM 708 N VAL A 50 18.822 -3.133 -12.755 1.00 0.00 N ATOM 709 CA VAL A 50 20.259 -2.731 -12.615 1.00 0.00 C ATOM 710 C VAL A 50 20.957 -3.375 -11.397 1.00 0.00 C ATOM 711 O VAL A 50 22.104 -3.831 -11.506 1.00 0.00 O ATOM 712 CB VAL A 50 20.399 -1.159 -12.515 1.00 0.00 C ATOM 713 CG1 VAL A 50 21.886 -0.709 -12.404 1.00 0.00 C ATOM 714 CG2 VAL A 50 19.690 -0.455 -13.698 1.00 0.00 C ATOM 0 H VAL A 50 18.214 -2.339 -12.955 1.00 0.00 H new ATOM 0 HA VAL A 50 20.755 -3.097 -13.514 1.00 0.00 H new ATOM 0 HB VAL A 50 19.902 -0.854 -11.594 1.00 0.00 H new ATOM 0 HG11 VAL A 50 21.933 0.378 -12.338 1.00 0.00 H new ATOM 0 HG12 VAL A 50 22.333 -1.147 -11.511 1.00 0.00 H new ATOM 0 HG13 VAL A 50 22.434 -1.043 -13.285 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.804 0.625 -13.600 1.00 0.00 H new ATOM 0 HG22 VAL A 50 20.136 -0.784 -14.637 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.630 -0.710 -13.691 1.00 0.00 H new ATOM 724 N ARG A 51 20.237 -3.413 -10.259 1.00 0.00 N ATOM 725 CA ARG A 51 20.726 -4.005 -8.991 1.00 0.00 C ATOM 726 C ARG A 51 21.206 -5.452 -9.181 1.00 0.00 C ATOM 727 O ARG A 51 22.313 -5.802 -8.802 1.00 0.00 O ATOM 728 CB ARG A 51 19.614 -3.969 -7.909 1.00 0.00 C ATOM 729 CG ARG A 51 19.174 -2.552 -7.503 1.00 0.00 C ATOM 730 CD ARG A 51 18.122 -2.549 -6.391 1.00 0.00 C ATOM 731 NE ARG A 51 17.785 -1.186 -5.969 1.00 0.00 N ATOM 732 CZ ARG A 51 17.054 -0.875 -4.897 1.00 0.00 C ATOM 733 NH1 ARG A 51 16.531 -1.813 -4.120 1.00 0.00 N ATOM 734 NH2 ARG A 51 16.851 0.390 -4.613 1.00 0.00 N ATOM 0 H ARG A 51 19.293 -3.032 -10.190 1.00 0.00 H new ATOM 0 HA ARG A 51 21.575 -3.404 -8.665 1.00 0.00 H new ATOM 0 HB2 ARG A 51 18.746 -4.515 -8.278 1.00 0.00 H new ATOM 0 HB3 ARG A 51 19.968 -4.495 -7.023 1.00 0.00 H new ATOM 0 HG2 ARG A 51 20.046 -1.987 -7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 51 18.773 -2.038 -8.376 1.00 0.00 H new ATOM 0 HD2 ARG A 51 17.222 -3.055 -6.740 1.00 0.00 H new ATOM 0 HD3 ARG A 51 18.494 -3.113 -5.536 1.00 0.00 H new ATOM 0 HE ARG A 51 18.136 -0.416 -6.539 1.00 0.00 H new ATOM 0 HH11 ARG A 51 16.684 -2.798 -4.336 1.00 0.00 H new ATOM 0 HH12 ARG A 51 15.976 -1.550 -3.306 1.00 0.00 H new ATOM 0 HH21 ARG A 51 17.249 1.117 -5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 51 16.295 0.647 -3.797 1.00 0.00 H new ATOM 748 N CYS A 52 20.368 -6.256 -9.813 1.00 0.00 N ATOM 749 CA CYS A 52 20.624 -7.691 -10.001 1.00 0.00 C ATOM 750 C CYS A 52 21.651 -7.940 -11.113 1.00 0.00 C ATOM 751 O CYS A 52 22.334 -8.960 -11.105 1.00 0.00 O ATOM 752 CB CYS A 52 19.293 -8.381 -10.282 1.00 0.00 C ATOM 753 SG CYS A 52 18.099 -8.068 -8.956 1.00 0.00 S ATOM 0 H CYS A 52 19.485 -5.940 -10.215 1.00 0.00 H new ATOM 0 HA CYS A 52 21.062 -8.110 -9.095 1.00 0.00 H new ATOM 0 HB2 CYS A 52 18.889 -8.025 -11.230 1.00 0.00 H new ATOM 0 HB3 CYS A 52 19.452 -9.454 -10.386 1.00 0.00 H new ATOM 0 HG CYS A 52 17.082 -8.866 -9.091 1.00 0.00 H new ATOM 758 N THR A 53 21.760 -6.985 -12.049 1.00 0.00 N ATOM 759 CA THR A 53 22.742 -7.036 -13.147 1.00 0.00 C ATOM 760 C THR A 53 24.178 -6.866 -12.597 1.00 0.00 C ATOM 761 O THR A 53 25.081 -7.644 -12.930 1.00 0.00 O ATOM 762 CB THR A 53 22.429 -5.918 -14.195 1.00 0.00 C ATOM 763 OG1 THR A 53 21.024 -5.948 -14.508 1.00 0.00 O ATOM 764 CG2 THR A 53 23.251 -6.070 -15.493 1.00 0.00 C ATOM 0 H THR A 53 21.169 -6.154 -12.067 1.00 0.00 H new ATOM 0 HA THR A 53 22.672 -8.009 -13.634 1.00 0.00 H new ATOM 0 HB THR A 53 22.708 -4.963 -13.750 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.820 -5.249 -15.163 1.00 0.00 H new ATOM 0 HG21 THR A 53 22.993 -5.267 -16.183 1.00 0.00 H new ATOM 0 HG22 THR A 53 24.314 -6.019 -15.258 1.00 0.00 H new ATOM 0 HG23 THR A 53 23.027 -7.032 -15.955 1.00 0.00 H new ATOM 772 N VAL A 54 24.354 -5.846 -11.726 1.00 0.00 N ATOM 773 CA VAL A 54 25.655 -5.525 -11.107 1.00 0.00 C ATOM 774 C VAL A 54 26.015 -6.557 -10.009 1.00 0.00 C ATOM 775 O VAL A 54 27.200 -6.829 -9.773 1.00 0.00 O ATOM 776 CB VAL A 54 25.677 -4.048 -10.541 1.00 0.00 C ATOM 777 CG1 VAL A 54 24.657 -3.840 -9.400 1.00 0.00 C ATOM 778 CG2 VAL A 54 27.103 -3.624 -10.100 1.00 0.00 C ATOM 0 H VAL A 54 23.599 -5.225 -11.435 1.00 0.00 H new ATOM 0 HA VAL A 54 26.417 -5.585 -11.884 1.00 0.00 H new ATOM 0 HB VAL A 54 25.375 -3.399 -11.363 1.00 0.00 H new ATOM 0 HG11 VAL A 54 24.712 -2.810 -9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 54 23.652 -4.044 -9.769 1.00 0.00 H new ATOM 0 HG13 VAL A 54 24.887 -4.519 -8.578 1.00 0.00 H new ATOM 0 HG21 VAL A 54 27.077 -2.604 -9.717 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.457 -4.296 -9.318 1.00 0.00 H new ATOM 0 HG23 VAL A 54 27.778 -3.674 -10.954 1.00 0.00 H new ATOM 788 N LYS A 55 24.976 -7.132 -9.351 1.00 0.00 N ATOM 789 CA LYS A 55 25.142 -8.234 -8.377 1.00 0.00 C ATOM 790 C LYS A 55 25.738 -9.471 -9.064 1.00 0.00 C ATOM 791 O LYS A 55 26.889 -9.847 -8.791 1.00 0.00 O ATOM 792 CB LYS A 55 23.783 -8.593 -7.702 1.00 0.00 C ATOM 793 CG LYS A 55 23.347 -7.656 -6.554 1.00 0.00 C ATOM 794 CD LYS A 55 24.252 -7.792 -5.308 1.00 0.00 C ATOM 795 CE LYS A 55 23.795 -6.913 -4.132 1.00 0.00 C ATOM 796 NZ LYS A 55 24.588 -7.185 -2.909 1.00 0.00 N ATOM 0 H LYS A 55 24.006 -6.845 -9.482 1.00 0.00 H new ATOM 0 HA LYS A 55 25.829 -7.898 -7.601 1.00 0.00 H new ATOM 0 HB2 LYS A 55 23.005 -8.591 -8.466 1.00 0.00 H new ATOM 0 HB3 LYS A 55 23.846 -9.610 -7.315 1.00 0.00 H new ATOM 0 HG2 LYS A 55 23.367 -6.624 -6.903 1.00 0.00 H new ATOM 0 HG3 LYS A 55 22.317 -7.879 -6.278 1.00 0.00 H new ATOM 0 HD2 LYS A 55 24.268 -8.834 -4.990 1.00 0.00 H new ATOM 0 HD3 LYS A 55 25.274 -7.525 -5.578 1.00 0.00 H new ATOM 0 HE2 LYS A 55 23.892 -5.862 -4.403 1.00 0.00 H new ATOM 0 HE3 LYS A 55 22.739 -7.094 -3.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 24.254 -6.575 -2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 24.475 -8.182 -2.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 25.592 -6.988 -3.095 1.00 0.00 H new ATOM 810 N ASP A 56 24.957 -10.057 -9.984 1.00 0.00 N ATOM 811 CA ASP A 56 25.325 -11.302 -10.674 1.00 0.00 C ATOM 812 C ASP A 56 24.306 -11.600 -11.784 1.00 0.00 C ATOM 813 O ASP A 56 24.671 -11.735 -12.960 1.00 0.00 O ATOM 814 CB ASP A 56 25.375 -12.493 -9.663 1.00 0.00 C ATOM 815 CG ASP A 56 25.872 -13.805 -10.291 1.00 0.00 C ATOM 816 OD1 ASP A 56 27.100 -13.985 -10.403 1.00 0.00 O ATOM 817 OD2 ASP A 56 25.049 -14.651 -10.691 1.00 0.00 O ATOM 0 H ASP A 56 24.053 -9.681 -10.270 1.00 0.00 H new ATOM 0 HA ASP A 56 26.314 -11.180 -11.115 1.00 0.00 H new ATOM 0 HB2 ASP A 56 26.027 -12.227 -8.831 1.00 0.00 H new ATOM 0 HB3 ASP A 56 24.379 -12.651 -9.249 1.00 0.00 H new