USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 425 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 31 ASN : amide:sc= -15.1! C(o=-16!,f=-22!) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= -0.413 USER MOD Set 2.1: A 32 HIS : no HE2:sc= -2.91! C(o=-4.2!,f=-13!) USER MOD Set 2.2: A 35 GLN : amide:sc= 0 X(o=-4.2,f=-4.4) USER MOD Set 2.3: P 57 TYR OH : rot 133:sc= -1.31! USER MOD Set 3.1: A 28 TYR OH : rot 30:sc= 0.315 USER MOD Set 3.2: A 30 LYS NZ :NH3+ -142:sc= 1.02 (180deg=0) USER MOD Single : A 19 MET CE :methyl -159:sc= -10.9! (180deg=-11.9!) USER MOD Single : A 21 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0517) USER MOD Single : A 22 THR OG1 : rot -150:sc= -0.795 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -3.73 K(o=-3.7,f=-4.9!) USER MOD Single : A 37 THR OG1 : rot 31:sc= 0.335 USER MOD Single : A 38 THR OG1 : rot 170:sc= -1.14 USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -115:sc= 1.23 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 52 THR OG1 : rot 180:sc= -0.761 USER MOD Single : P 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 5 -4.865 14.322 -0.857 1.00 0.00 N ATOM 2 CA PHE A 5 -4.169 13.083 -0.407 1.00 0.00 C ATOM 3 C PHE A 5 -4.219 12.018 -1.506 1.00 0.00 C ATOM 4 O PHE A 5 -5.034 11.118 -1.476 1.00 0.00 O ATOM 5 CB PHE A 5 -4.945 12.617 0.826 1.00 0.00 C ATOM 6 CG PHE A 5 -3.997 11.969 1.805 1.00 0.00 C ATOM 7 CD1 PHE A 5 -3.326 10.790 1.454 1.00 0.00 C ATOM 8 CD2 PHE A 5 -3.787 12.546 3.063 1.00 0.00 C ATOM 9 CE1 PHE A 5 -2.446 10.189 2.362 1.00 0.00 C ATOM 10 CE2 PHE A 5 -2.907 11.945 3.971 1.00 0.00 C ATOM 11 CZ PHE A 5 -2.237 10.767 3.620 1.00 0.00 C ATOM 0 HA PHE A 5 -3.117 13.260 -0.184 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -5.445 13.464 1.295 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -5.722 11.910 0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -3.488 10.345 0.483 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -4.304 13.455 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.929 9.280 2.092 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -2.745 12.390 4.942 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.558 10.303 4.320 1.00 0.00 H new ATOM 21 N GLU A 6 -3.352 12.115 -2.477 1.00 0.00 N ATOM 22 CA GLU A 6 -3.350 11.108 -3.578 1.00 0.00 C ATOM 23 C GLU A 6 -2.138 10.182 -3.446 1.00 0.00 C ATOM 24 O GLU A 6 -1.093 10.429 -4.013 1.00 0.00 O ATOM 25 CB GLU A 6 -3.261 11.929 -4.865 1.00 0.00 C ATOM 26 CG GLU A 6 -4.430 11.568 -5.783 1.00 0.00 C ATOM 27 CD GLU A 6 -3.970 10.540 -6.818 1.00 0.00 C ATOM 28 OE1 GLU A 6 -3.673 9.425 -6.422 1.00 0.00 O ATOM 29 OE2 GLU A 6 -3.922 10.884 -7.986 1.00 0.00 O ATOM 0 H GLU A 6 -2.646 12.847 -2.556 1.00 0.00 H new ATOM 0 HA GLU A 6 -4.236 10.474 -3.560 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.283 12.994 -4.632 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.315 11.733 -5.369 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -5.255 11.164 -5.196 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -4.802 12.462 -6.284 1.00 0.00 H new ATOM 36 N ILE A 7 -2.271 9.118 -2.703 1.00 0.00 N ATOM 37 CA ILE A 7 -1.127 8.179 -2.536 1.00 0.00 C ATOM 38 C ILE A 7 -0.751 7.516 -3.877 1.00 0.00 C ATOM 39 O ILE A 7 0.417 7.424 -4.197 1.00 0.00 O ATOM 40 CB ILE A 7 -1.600 7.146 -1.504 1.00 0.00 C ATOM 41 CG1 ILE A 7 -1.729 7.828 -0.139 1.00 0.00 C ATOM 42 CG2 ILE A 7 -0.586 6.002 -1.402 1.00 0.00 C ATOM 43 CD1 ILE A 7 -2.236 6.820 0.893 1.00 0.00 C ATOM 0 H ILE A 7 -3.122 8.859 -2.205 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.225 8.691 -2.201 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.563 6.742 -1.815 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -0.764 8.227 0.172 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.416 8.671 -0.206 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.931 5.275 -0.667 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -0.485 5.517 -2.373 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.381 6.399 -1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -2.327 7.308 1.864 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.211 6.442 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -1.532 5.991 0.968 1.00 0.00 H new ATOM 55 N PRO A 8 -1.736 7.070 -4.628 1.00 0.00 N ATOM 56 CA PRO A 8 -1.437 6.424 -5.929 1.00 0.00 C ATOM 57 C PRO A 8 -1.102 7.482 -6.984 1.00 0.00 C ATOM 58 O PRO A 8 -0.926 8.644 -6.677 1.00 0.00 O ATOM 59 CB PRO A 8 -2.731 5.702 -6.282 1.00 0.00 C ATOM 60 CG PRO A 8 -3.808 6.449 -5.560 1.00 0.00 C ATOM 61 CD PRO A 8 -3.182 7.115 -4.360 1.00 0.00 C ATOM 0 HA PRO A 8 -0.580 5.752 -5.884 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -2.903 5.706 -7.358 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.698 4.659 -5.968 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -4.263 7.192 -6.215 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -4.602 5.770 -5.249 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -3.533 8.141 -4.247 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -3.432 6.589 -3.439 1.00 0.00 H new ATOM 69 N ASP A 9 -1.014 7.089 -8.226 1.00 0.00 N ATOM 70 CA ASP A 9 -0.692 8.073 -9.301 1.00 0.00 C ATOM 71 C ASP A 9 0.573 8.858 -8.939 1.00 0.00 C ATOM 72 O ASP A 9 0.791 9.955 -9.413 1.00 0.00 O ATOM 73 CB ASP A 9 -1.903 9.005 -9.359 1.00 0.00 C ATOM 74 CG ASP A 9 -2.235 9.317 -10.819 1.00 0.00 C ATOM 75 OD1 ASP A 9 -2.428 8.380 -11.576 1.00 0.00 O ATOM 76 OD2 ASP A 9 -2.292 10.488 -11.157 1.00 0.00 O ATOM 0 H ASP A 9 -1.151 6.129 -8.543 1.00 0.00 H new ATOM 0 HA ASP A 9 -0.502 7.590 -10.260 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.759 8.538 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -1.692 9.927 -8.817 1.00 0.00 H new ATOM 81 N ASP A 10 1.408 8.302 -8.105 1.00 0.00 N ATOM 82 CA ASP A 10 2.657 9.015 -7.714 1.00 0.00 C ATOM 83 C ASP A 10 3.625 8.045 -7.033 1.00 0.00 C ATOM 84 O ASP A 10 4.743 7.857 -7.473 1.00 0.00 O ATOM 85 CB ASP A 10 2.205 10.098 -6.735 1.00 0.00 C ATOM 86 CG ASP A 10 2.876 11.426 -7.097 1.00 0.00 C ATOM 87 OD1 ASP A 10 4.089 11.437 -7.225 1.00 0.00 O ATOM 88 OD2 ASP A 10 2.165 12.407 -7.239 1.00 0.00 O ATOM 0 H ASP A 10 1.280 7.385 -7.677 1.00 0.00 H new ATOM 0 HA ASP A 10 3.180 9.436 -8.573 1.00 0.00 H new ATOM 0 HB2 ASP A 10 1.121 10.205 -6.770 1.00 0.00 H new ATOM 0 HB3 ASP A 10 2.465 9.813 -5.716 1.00 0.00 H new ATOM 93 N VAL A 11 3.207 7.428 -5.963 1.00 0.00 N ATOM 94 CA VAL A 11 4.100 6.472 -5.255 1.00 0.00 C ATOM 95 C VAL A 11 4.448 5.294 -6.179 1.00 0.00 C ATOM 96 O VAL A 11 3.564 4.647 -6.704 1.00 0.00 O ATOM 97 CB VAL A 11 3.277 5.993 -4.062 1.00 0.00 C ATOM 98 CG1 VAL A 11 2.899 7.190 -3.187 1.00 0.00 C ATOM 99 CG2 VAL A 11 2.007 5.302 -4.561 1.00 0.00 C ATOM 0 H VAL A 11 2.283 7.546 -5.548 1.00 0.00 H new ATOM 0 HA VAL A 11 5.044 6.924 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 11 3.866 5.288 -3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 11 2.311 6.847 -2.335 1.00 0.00 H new ATOM 0 HG12 VAL A 11 3.805 7.680 -2.829 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.311 7.897 -3.772 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.420 4.960 -3.709 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.417 6.005 -5.149 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.277 4.447 -5.181 1.00 0.00 H new ATOM 109 N PRO A 12 5.727 5.047 -6.352 1.00 0.00 N ATOM 110 CA PRO A 12 6.165 3.930 -7.225 1.00 0.00 C ATOM 111 C PRO A 12 5.901 2.570 -6.561 1.00 0.00 C ATOM 112 O PRO A 12 6.124 1.539 -7.163 1.00 0.00 O ATOM 113 CB PRO A 12 7.663 4.167 -7.390 1.00 0.00 C ATOM 114 CG PRO A 12 8.066 4.952 -6.182 1.00 0.00 C ATOM 115 CD PRO A 12 6.869 5.767 -5.766 1.00 0.00 C ATOM 0 HA PRO A 12 5.629 3.906 -8.174 1.00 0.00 H new ATOM 0 HB2 PRO A 12 8.208 3.225 -7.448 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.877 4.716 -8.307 1.00 0.00 H new ATOM 0 HG2 PRO A 12 8.378 4.287 -5.377 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.913 5.599 -6.408 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.787 5.830 -4.681 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.932 6.789 -6.141 1.00 0.00 H new ATOM 123 N LEU A 13 5.435 2.566 -5.331 1.00 0.00 N ATOM 124 CA LEU A 13 5.156 1.279 -4.614 1.00 0.00 C ATOM 125 C LEU A 13 6.428 0.424 -4.508 1.00 0.00 C ATOM 126 O LEU A 13 7.265 0.446 -5.386 1.00 0.00 O ATOM 127 CB LEU A 13 4.093 0.557 -5.447 1.00 0.00 C ATOM 128 CG LEU A 13 2.740 1.233 -5.239 1.00 0.00 C ATOM 129 CD1 LEU A 13 1.684 0.516 -6.082 1.00 0.00 C ATOM 130 CD2 LEU A 13 2.354 1.157 -3.762 1.00 0.00 C ATOM 0 H LEU A 13 5.235 3.407 -4.790 1.00 0.00 H new ATOM 0 HA LEU A 13 4.814 1.460 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 13 4.365 0.580 -6.502 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.037 -0.492 -5.155 1.00 0.00 H new ATOM 0 HG LEU A 13 2.802 2.278 -5.542 1.00 0.00 H new ATOM 0 HD11 LEU A 13 0.716 0.995 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.961 0.569 -7.135 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.622 -0.528 -5.776 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.388 1.640 -3.613 1.00 0.00 H new ATOM 0 HD22 LEU A 13 2.289 0.113 -3.456 1.00 0.00 H new ATOM 0 HD23 LEU A 13 3.109 1.664 -3.162 1.00 0.00 H new ATOM 142 N PRO A 14 6.535 -0.315 -3.432 1.00 0.00 N ATOM 143 CA PRO A 14 7.717 -1.180 -3.236 1.00 0.00 C ATOM 144 C PRO A 14 7.542 -2.507 -3.986 1.00 0.00 C ATOM 145 O PRO A 14 6.498 -2.783 -4.544 1.00 0.00 O ATOM 146 CB PRO A 14 7.758 -1.391 -1.729 1.00 0.00 C ATOM 147 CG PRO A 14 6.352 -1.181 -1.248 1.00 0.00 C ATOM 148 CD PRO A 14 5.592 -0.414 -2.308 1.00 0.00 C ATOM 0 HA PRO A 14 8.640 -0.745 -3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.109 -2.393 -1.484 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.443 -0.688 -1.254 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.870 -2.140 -1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.352 -0.630 -0.308 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.680 -0.935 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.295 0.572 -1.950 1.00 0.00 H new ATOM 156 N ALA A 15 8.563 -3.322 -4.018 1.00 0.00 N ATOM 157 CA ALA A 15 8.464 -4.625 -4.744 1.00 0.00 C ATOM 158 C ALA A 15 7.416 -5.534 -4.095 1.00 0.00 C ATOM 159 O ALA A 15 7.226 -5.521 -2.895 1.00 0.00 O ATOM 160 CB ALA A 15 9.856 -5.246 -4.628 1.00 0.00 C ATOM 0 H ALA A 15 9.463 -3.143 -3.573 1.00 0.00 H new ATOM 0 HA ALA A 15 8.156 -4.490 -5.781 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.868 -6.210 -5.137 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.589 -4.583 -5.087 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.104 -5.389 -3.576 1.00 0.00 H new ATOM 166 N GLY A 16 6.736 -6.326 -4.884 1.00 0.00 N ATOM 167 CA GLY A 16 5.703 -7.238 -4.327 1.00 0.00 C ATOM 168 C GLY A 16 4.711 -6.435 -3.497 1.00 0.00 C ATOM 169 O GLY A 16 4.262 -6.872 -2.458 1.00 0.00 O ATOM 0 H GLY A 16 6.856 -6.377 -5.896 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.184 -7.754 -5.135 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.173 -8.004 -3.710 1.00 0.00 H new ATOM 173 N TRP A 17 4.368 -5.266 -3.946 1.00 0.00 N ATOM 174 CA TRP A 17 3.407 -4.440 -3.175 1.00 0.00 C ATOM 175 C TRP A 17 2.502 -3.653 -4.125 1.00 0.00 C ATOM 176 O TRP A 17 2.586 -2.445 -4.227 1.00 0.00 O ATOM 177 CB TRP A 17 4.281 -3.511 -2.340 1.00 0.00 C ATOM 178 CG TRP A 17 4.586 -4.174 -1.032 1.00 0.00 C ATOM 179 CD1 TRP A 17 5.821 -4.503 -0.587 1.00 0.00 C ATOM 180 CD2 TRP A 17 3.655 -4.592 0.001 1.00 0.00 C ATOM 181 NE1 TRP A 17 5.703 -5.084 0.664 1.00 0.00 N ATOM 182 CE2 TRP A 17 4.384 -5.162 1.069 1.00 0.00 C ATOM 183 CE3 TRP A 17 2.261 -4.526 0.110 1.00 0.00 C ATOM 184 CZ2 TRP A 17 3.745 -5.651 2.209 1.00 0.00 C ATOM 185 CZ3 TRP A 17 1.610 -5.015 1.252 1.00 0.00 C ATOM 186 CH2 TRP A 17 2.350 -5.576 2.302 1.00 0.00 C ATOM 0 H TRP A 17 4.710 -4.847 -4.811 1.00 0.00 H new ATOM 0 HA TRP A 17 2.743 -5.038 -2.550 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.205 -3.284 -2.872 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.770 -2.563 -2.172 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.746 -4.339 -1.120 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.493 -5.414 1.219 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.681 -4.095 -0.693 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.322 -6.084 3.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.534 -4.959 1.323 1.00 0.00 H new ATOM 0 HH2 TRP A 17 1.845 -5.950 3.181 1.00 0.00 H new ATOM 197 N GLU A 18 1.625 -4.337 -4.807 1.00 0.00 N ATOM 198 CA GLU A 18 0.687 -3.646 -5.740 1.00 0.00 C ATOM 199 C GLU A 18 -0.457 -3.063 -4.934 1.00 0.00 C ATOM 200 O GLU A 18 -0.401 -2.980 -3.725 1.00 0.00 O ATOM 201 CB GLU A 18 0.172 -4.753 -6.677 1.00 0.00 C ATOM 202 CG GLU A 18 -0.014 -4.226 -8.108 1.00 0.00 C ATOM 203 CD GLU A 18 1.270 -3.547 -8.596 1.00 0.00 C ATOM 204 OE1 GLU A 18 2.269 -4.236 -8.723 1.00 0.00 O ATOM 205 OE2 GLU A 18 1.231 -2.352 -8.833 1.00 0.00 O ATOM 0 H GLU A 18 1.516 -5.350 -4.759 1.00 0.00 H new ATOM 0 HA GLU A 18 1.156 -2.835 -6.297 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.875 -5.586 -6.682 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.776 -5.139 -6.302 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.275 -5.048 -8.775 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.842 -3.517 -8.137 1.00 0.00 H new ATOM 212 N MET A 19 -1.493 -2.670 -5.591 1.00 0.00 N ATOM 213 CA MET A 19 -2.657 -2.111 -4.866 1.00 0.00 C ATOM 214 C MET A 19 -3.844 -1.975 -5.799 1.00 0.00 C ATOM 215 O MET A 19 -3.704 -1.785 -6.991 1.00 0.00 O ATOM 216 CB MET A 19 -2.208 -0.757 -4.334 1.00 0.00 C ATOM 217 CG MET A 19 -1.901 0.197 -5.493 1.00 0.00 C ATOM 218 SD MET A 19 -2.208 1.900 -4.967 1.00 0.00 S ATOM 219 CE MET A 19 -0.507 2.489 -5.138 1.00 0.00 C ATOM 0 H MET A 19 -1.590 -2.710 -6.606 1.00 0.00 H new ATOM 0 HA MET A 19 -2.978 -2.760 -4.051 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.987 -0.332 -3.701 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.322 -0.880 -3.711 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.863 0.083 -5.807 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.523 -0.047 -6.354 1.00 0.00 H new ATOM 0 HE1 MET A 19 -0.369 3.384 -4.531 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.182 1.714 -4.803 1.00 0.00 H new ATOM 0 HE3 MET A 19 -0.307 2.725 -6.183 1.00 0.00 H new ATOM 229 N ALA A 20 -5.013 -2.094 -5.261 1.00 0.00 N ATOM 230 CA ALA A 20 -6.225 -1.999 -6.096 1.00 0.00 C ATOM 231 C ALA A 20 -7.391 -1.510 -5.235 1.00 0.00 C ATOM 232 O ALA A 20 -7.338 -1.562 -4.020 1.00 0.00 O ATOM 233 CB ALA A 20 -6.434 -3.430 -6.585 1.00 0.00 C ATOM 0 H ALA A 20 -5.182 -2.255 -4.268 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.146 -1.298 -6.927 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.318 -3.472 -7.221 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.562 -3.751 -7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.571 -4.091 -5.729 1.00 0.00 H new ATOM 239 N LYS A 21 -8.429 -1.011 -5.839 1.00 0.00 N ATOM 240 CA LYS A 21 -9.573 -0.499 -5.032 1.00 0.00 C ATOM 241 C LYS A 21 -10.672 -1.555 -4.913 1.00 0.00 C ATOM 242 O LYS A 21 -11.438 -1.775 -5.830 1.00 0.00 O ATOM 243 CB LYS A 21 -10.084 0.722 -5.799 1.00 0.00 C ATOM 244 CG LYS A 21 -8.933 1.706 -6.023 1.00 0.00 C ATOM 245 CD LYS A 21 -9.335 3.088 -5.505 1.00 0.00 C ATOM 246 CE LYS A 21 -10.253 3.768 -6.523 1.00 0.00 C ATOM 247 NZ LYS A 21 -10.524 5.117 -5.950 1.00 0.00 N ATOM 0 H LYS A 21 -8.538 -0.934 -6.850 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.272 -0.250 -4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.503 0.413 -6.757 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -10.886 1.205 -5.241 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -8.038 1.359 -5.507 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.688 1.761 -7.084 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -9.844 2.994 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.447 3.697 -5.336 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.775 3.842 -7.500 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.176 3.205 -6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -11.299 5.568 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -10.794 5.022 -4.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.668 5.704 -6.023 1.00 0.00 H new ATOM 261 N THR A 22 -10.767 -2.201 -3.781 1.00 0.00 N ATOM 262 CA THR A 22 -11.833 -3.226 -3.605 1.00 0.00 C ATOM 263 C THR A 22 -13.160 -2.530 -3.296 1.00 0.00 C ATOM 264 O THR A 22 -13.184 -1.403 -2.842 1.00 0.00 O ATOM 265 CB THR A 22 -11.391 -4.087 -2.418 1.00 0.00 C ATOM 266 OG1 THR A 22 -12.330 -5.137 -2.227 1.00 0.00 O ATOM 267 CG2 THR A 22 -11.319 -3.236 -1.149 1.00 0.00 C ATOM 0 H THR A 22 -10.156 -2.063 -2.976 1.00 0.00 H new ATOM 0 HA THR A 22 -11.976 -3.831 -4.500 1.00 0.00 H new ATOM 0 HB THR A 22 -10.405 -4.502 -2.625 1.00 0.00 H new ATOM 0 HG1 THR A 22 -12.359 -5.381 -1.278 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.004 -3.858 -0.311 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.600 -2.429 -1.292 1.00 0.00 H new ATOM 0 HG23 THR A 22 -12.301 -2.814 -0.938 1.00 0.00 H new ATOM 275 N SER A 23 -14.262 -3.187 -3.531 1.00 0.00 N ATOM 276 CA SER A 23 -15.590 -2.562 -3.246 1.00 0.00 C ATOM 277 C SER A 23 -15.755 -1.253 -4.032 1.00 0.00 C ATOM 278 O SER A 23 -16.338 -1.233 -5.098 1.00 0.00 O ATOM 279 CB SER A 23 -15.601 -2.291 -1.739 1.00 0.00 C ATOM 280 OG SER A 23 -16.456 -3.227 -1.098 1.00 0.00 O ATOM 0 H SER A 23 -14.303 -4.133 -3.909 1.00 0.00 H new ATOM 0 HA SER A 23 -16.412 -3.212 -3.546 1.00 0.00 H new ATOM 0 HB2 SER A 23 -14.591 -2.369 -1.337 1.00 0.00 H new ATOM 0 HB3 SER A 23 -15.944 -1.275 -1.543 1.00 0.00 H new ATOM 0 HG SER A 23 -16.463 -3.056 -0.133 1.00 0.00 H new ATOM 286 N SER A 24 -15.257 -0.159 -3.515 1.00 0.00 N ATOM 287 CA SER A 24 -15.404 1.137 -4.242 1.00 0.00 C ATOM 288 C SER A 24 -14.040 1.801 -4.463 1.00 0.00 C ATOM 289 O SER A 24 -13.469 1.723 -5.533 1.00 0.00 O ATOM 290 CB SER A 24 -16.276 2.002 -3.330 1.00 0.00 C ATOM 291 OG SER A 24 -17.631 1.907 -3.741 1.00 0.00 O ATOM 0 H SER A 24 -14.758 -0.107 -2.627 1.00 0.00 H new ATOM 0 HA SER A 24 -15.844 1.000 -5.230 1.00 0.00 H new ATOM 0 HB2 SER A 24 -16.175 1.675 -2.295 1.00 0.00 H new ATOM 0 HB3 SER A 24 -15.945 3.040 -3.370 1.00 0.00 H new ATOM 0 HG SER A 24 -18.190 2.460 -3.156 1.00 0.00 H new ATOM 297 N GLY A 25 -13.518 2.464 -3.466 1.00 0.00 N ATOM 298 CA GLY A 25 -12.199 3.143 -3.632 1.00 0.00 C ATOM 299 C GLY A 25 -11.214 2.645 -2.573 1.00 0.00 C ATOM 300 O GLY A 25 -10.234 3.297 -2.271 1.00 0.00 O ATOM 0 H GLY A 25 -13.946 2.565 -2.546 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.803 2.947 -4.629 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.323 4.222 -3.545 1.00 0.00 H new ATOM 304 N GLN A 26 -11.457 1.495 -2.013 1.00 0.00 N ATOM 305 CA GLN A 26 -10.521 0.964 -0.983 1.00 0.00 C ATOM 306 C GLN A 26 -9.206 0.544 -1.647 1.00 0.00 C ATOM 307 O GLN A 26 -8.985 -0.617 -1.924 1.00 0.00 O ATOM 308 CB GLN A 26 -11.237 -0.247 -0.389 1.00 0.00 C ATOM 309 CG GLN A 26 -12.346 0.229 0.553 1.00 0.00 C ATOM 310 CD GLN A 26 -13.293 -0.934 0.855 1.00 0.00 C ATOM 311 OE1 GLN A 26 -12.854 -2.028 1.150 1.00 0.00 O ATOM 312 NE2 GLN A 26 -14.582 -0.743 0.792 1.00 0.00 N ATOM 0 H GLN A 26 -12.259 0.901 -2.222 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.273 1.701 -0.219 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.659 -0.860 -1.185 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.528 -0.873 0.153 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -11.913 0.609 1.478 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.897 1.052 0.097 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -14.950 0.176 0.544 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -15.222 -1.512 0.990 1.00 0.00 H new ATOM 321 N ARG A 27 -8.336 1.484 -1.908 1.00 0.00 N ATOM 322 CA ARG A 27 -7.036 1.146 -2.563 1.00 0.00 C ATOM 323 C ARG A 27 -6.185 0.270 -1.645 1.00 0.00 C ATOM 324 O ARG A 27 -5.217 0.717 -1.063 1.00 0.00 O ATOM 325 CB ARG A 27 -6.345 2.487 -2.787 1.00 0.00 C ATOM 326 CG ARG A 27 -6.213 3.214 -1.452 1.00 0.00 C ATOM 327 CD ARG A 27 -4.816 3.815 -1.345 1.00 0.00 C ATOM 328 NE ARG A 27 -5.038 5.268 -1.077 1.00 0.00 N ATOM 329 CZ ARG A 27 -5.455 6.074 -2.026 1.00 0.00 C ATOM 330 NH1 ARG A 27 -5.675 5.634 -3.239 1.00 0.00 N ATOM 331 NH2 ARG A 27 -5.650 7.336 -1.755 1.00 0.00 N ATOM 0 H ARG A 27 -8.469 2.473 -1.696 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.182 0.593 -3.491 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.361 2.333 -3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.919 3.092 -3.489 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.966 3.998 -1.375 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.388 2.522 -0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.246 3.348 -0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.251 3.665 -2.265 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.863 5.639 -0.143 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.523 4.650 -3.460 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.999 6.275 -3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.479 7.688 -0.813 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.974 7.970 -2.485 1.00 0.00 H new ATOM 345 N TYR A 28 -6.529 -0.976 -1.519 1.00 0.00 N ATOM 346 CA TYR A 28 -5.728 -1.877 -0.645 1.00 0.00 C ATOM 347 C TYR A 28 -4.460 -2.300 -1.377 1.00 0.00 C ATOM 348 O TYR A 28 -4.492 -2.681 -2.529 1.00 0.00 O ATOM 349 CB TYR A 28 -6.629 -3.076 -0.336 1.00 0.00 C ATOM 350 CG TYR A 28 -6.875 -3.914 -1.574 1.00 0.00 C ATOM 351 CD1 TYR A 28 -7.944 -3.611 -2.423 1.00 0.00 C ATOM 352 CD2 TYR A 28 -6.063 -5.019 -1.847 1.00 0.00 C ATOM 353 CE1 TYR A 28 -8.197 -4.405 -3.546 1.00 0.00 C ATOM 354 CE2 TYR A 28 -6.323 -5.819 -2.965 1.00 0.00 C ATOM 355 CZ TYR A 28 -7.388 -5.511 -3.815 1.00 0.00 C ATOM 356 OH TYR A 28 -7.643 -6.301 -4.918 1.00 0.00 O ATOM 0 H TYR A 28 -7.327 -1.412 -1.981 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.414 -1.391 0.279 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.167 -3.691 0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.581 -2.725 0.063 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.576 -2.761 -2.211 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.235 -5.255 -1.195 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.018 -4.163 -4.205 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.699 -6.676 -3.171 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.046 -5.755 -5.625 1.00 0.00 H new ATOM 366 N PHE A 29 -3.338 -2.212 -0.724 1.00 0.00 N ATOM 367 CA PHE A 29 -2.066 -2.584 -1.393 1.00 0.00 C ATOM 368 C PHE A 29 -1.848 -4.095 -1.356 1.00 0.00 C ATOM 369 O PHE A 29 -1.728 -4.703 -0.312 1.00 0.00 O ATOM 370 CB PHE A 29 -0.980 -1.840 -0.621 1.00 0.00 C ATOM 371 CG PHE A 29 -1.166 -0.358 -0.832 1.00 0.00 C ATOM 372 CD1 PHE A 29 -2.076 0.357 -0.047 1.00 0.00 C ATOM 373 CD2 PHE A 29 -0.430 0.299 -1.821 1.00 0.00 C ATOM 374 CE1 PHE A 29 -2.250 1.728 -0.254 1.00 0.00 C ATOM 375 CE2 PHE A 29 -0.601 1.670 -2.027 1.00 0.00 C ATOM 376 CZ PHE A 29 -1.512 2.386 -1.244 1.00 0.00 C ATOM 0 H PHE A 29 -3.247 -1.899 0.243 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.063 -2.313 -2.449 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.039 -2.081 0.440 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.007 -2.150 -0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.644 -0.150 0.719 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.272 -0.254 -2.427 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.954 2.280 0.350 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.030 2.177 -2.791 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.646 3.446 -1.403 1.00 0.00 H new ATOM 386 N LYS A 30 -1.796 -4.692 -2.510 1.00 0.00 N ATOM 387 CA LYS A 30 -1.584 -6.155 -2.607 1.00 0.00 C ATOM 388 C LYS A 30 -0.114 -6.485 -2.380 1.00 0.00 C ATOM 389 O LYS A 30 0.772 -5.778 -2.823 1.00 0.00 O ATOM 390 CB LYS A 30 -1.985 -6.491 -4.034 1.00 0.00 C ATOM 391 CG LYS A 30 -3.481 -6.296 -4.201 1.00 0.00 C ATOM 392 CD LYS A 30 -4.101 -7.580 -4.759 1.00 0.00 C ATOM 393 CE LYS A 30 -5.019 -7.238 -5.934 1.00 0.00 C ATOM 394 NZ LYS A 30 -6.178 -8.164 -5.796 1.00 0.00 N ATOM 0 H LYS A 30 -1.894 -4.216 -3.407 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.154 -6.717 -1.867 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.444 -5.854 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.714 -7.521 -4.266 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.936 -6.046 -3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.677 -5.462 -4.874 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.316 -8.263 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.666 -8.091 -3.980 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.338 -6.197 -5.896 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.510 -7.381 -6.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.483 -8.481 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.898 -8.988 -5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.963 -7.670 -5.326 1.00 0.00 H new ATOM 408 N ASN A 31 0.146 -7.552 -1.695 1.00 0.00 N ATOM 409 CA ASN A 31 1.556 -7.940 -1.425 1.00 0.00 C ATOM 410 C ASN A 31 1.899 -9.242 -2.152 1.00 0.00 C ATOM 411 O ASN A 31 1.368 -10.288 -1.841 1.00 0.00 O ATOM 412 CB ASN A 31 1.613 -8.146 0.089 1.00 0.00 C ATOM 413 CG ASN A 31 3.054 -7.991 0.570 1.00 0.00 C ATOM 414 OD1 ASN A 31 3.888 -7.478 -0.144 1.00 0.00 O ATOM 415 ND2 ASN A 31 3.383 -8.415 1.760 1.00 0.00 N ATOM 0 H ASN A 31 -0.558 -8.179 -1.306 1.00 0.00 H new ATOM 0 HA ASN A 31 2.267 -7.190 -1.770 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.971 -7.421 0.590 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.237 -9.136 0.346 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.343 -8.315 2.090 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.680 -8.847 2.360 1.00 0.00 H new ATOM 422 N HIS A 32 2.792 -9.198 -3.110 1.00 0.00 N ATOM 423 CA HIS A 32 3.156 -10.456 -3.820 1.00 0.00 C ATOM 424 C HIS A 32 4.372 -11.079 -3.138 1.00 0.00 C ATOM 425 O HIS A 32 4.540 -12.282 -3.119 1.00 0.00 O ATOM 426 CB HIS A 32 3.464 -10.044 -5.260 1.00 0.00 C ATOM 427 CG HIS A 32 2.272 -9.322 -5.833 1.00 0.00 C ATOM 428 ND1 HIS A 32 1.181 -10.001 -6.355 1.00 0.00 N ATOM 429 CD2 HIS A 32 1.975 -7.987 -5.958 1.00 0.00 C ATOM 430 CE1 HIS A 32 0.287 -9.080 -6.762 1.00 0.00 C ATOM 431 NE2 HIS A 32 0.722 -7.838 -6.545 1.00 0.00 N ATOM 0 H HIS A 32 3.276 -8.358 -3.425 1.00 0.00 H new ATOM 0 HA HIS A 32 2.361 -11.201 -3.800 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.342 -9.399 -5.287 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.696 -10.923 -5.861 1.00 0.00 H new ATOM 0 HD1 HIS A 32 1.075 -11.013 -6.419 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.617 -7.176 -5.648 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.667 -9.318 -7.210 1.00 0.00 H new ATOM 439 N ILE A 33 5.206 -10.268 -2.542 1.00 0.00 N ATOM 440 CA ILE A 33 6.391 -10.824 -1.820 1.00 0.00 C ATOM 441 C ILE A 33 5.892 -11.698 -0.668 1.00 0.00 C ATOM 442 O ILE A 33 6.552 -12.624 -0.240 1.00 0.00 O ATOM 443 CB ILE A 33 7.186 -9.621 -1.277 1.00 0.00 C ATOM 444 CG1 ILE A 33 6.246 -8.607 -0.607 1.00 0.00 C ATOM 445 CG2 ILE A 33 7.942 -8.943 -2.419 1.00 0.00 C ATOM 446 CD1 ILE A 33 7.047 -7.734 0.359 1.00 0.00 C ATOM 0 H ILE A 33 5.120 -9.252 -2.523 1.00 0.00 H new ATOM 0 HA ILE A 33 7.021 -11.431 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 33 7.896 -9.983 -0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.765 -7.986 -1.363 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.453 -9.128 -0.071 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.503 -8.093 -2.030 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.631 -9.655 -2.873 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.232 -8.596 -3.170 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.382 -7.014 0.835 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.507 -8.363 1.121 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.824 -7.202 -0.190 1.00 0.00 H new ATOM 458 N ASP A 34 4.716 -11.410 -0.176 1.00 0.00 N ATOM 459 CA ASP A 34 4.143 -12.217 0.938 1.00 0.00 C ATOM 460 C ASP A 34 2.717 -12.676 0.590 1.00 0.00 C ATOM 461 O ASP A 34 2.063 -13.335 1.374 1.00 0.00 O ATOM 462 CB ASP A 34 4.123 -11.273 2.140 1.00 0.00 C ATOM 463 CG ASP A 34 4.209 -12.090 3.432 1.00 0.00 C ATOM 464 OD1 ASP A 34 4.939 -13.068 3.443 1.00 0.00 O ATOM 465 OD2 ASP A 34 3.545 -11.722 4.387 1.00 0.00 O ATOM 0 H ASP A 34 4.125 -10.645 -0.501 1.00 0.00 H new ATOM 0 HA ASP A 34 4.725 -13.118 1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.958 -10.575 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.210 -10.678 2.133 1.00 0.00 H new ATOM 470 N GLN A 35 2.231 -12.336 -0.579 1.00 0.00 N ATOM 471 CA GLN A 35 0.852 -12.758 -0.972 1.00 0.00 C ATOM 472 C GLN A 35 -0.169 -12.321 0.083 1.00 0.00 C ATOM 473 O GLN A 35 -0.606 -13.110 0.896 1.00 0.00 O ATOM 474 CB GLN A 35 0.913 -14.283 -1.063 1.00 0.00 C ATOM 475 CG GLN A 35 1.943 -14.690 -2.118 1.00 0.00 C ATOM 476 CD GLN A 35 1.233 -14.956 -3.447 1.00 0.00 C ATOM 477 OE1 GLN A 35 1.339 -14.176 -4.373 1.00 0.00 O ATOM 478 NE2 GLN A 35 0.509 -16.032 -3.582 1.00 0.00 N ATOM 0 H GLN A 35 2.730 -11.785 -1.277 1.00 0.00 H new ATOM 0 HA GLN A 35 0.540 -12.305 -1.913 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.182 -14.705 -0.095 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.067 -14.682 -1.323 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.685 -13.901 -2.241 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.478 -15.583 -1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 35 0.419 -16.687 -2.805 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.032 -16.219 -4.464 1.00 0.00 H new ATOM 487 N THR A 36 -0.559 -11.072 0.072 1.00 0.00 N ATOM 488 CA THR A 36 -1.559 -10.593 1.074 1.00 0.00 C ATOM 489 C THR A 36 -2.045 -9.183 0.720 1.00 0.00 C ATOM 490 O THR A 36 -1.263 -8.300 0.424 1.00 0.00 O ATOM 491 CB THR A 36 -0.822 -10.572 2.421 1.00 0.00 C ATOM 492 OG1 THR A 36 0.580 -10.464 2.206 1.00 0.00 O ATOM 493 CG2 THR A 36 -1.125 -11.857 3.192 1.00 0.00 C ATOM 0 H THR A 36 -0.230 -10.365 -0.585 1.00 0.00 H new ATOM 0 HA THR A 36 -2.436 -11.239 1.100 1.00 0.00 H new ATOM 0 HB THR A 36 -1.161 -9.713 3.000 1.00 0.00 H new ATOM 0 HG1 THR A 36 1.043 -10.450 3.069 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.601 -11.840 4.148 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.198 -11.931 3.368 1.00 0.00 H new ATOM 0 HG23 THR A 36 -0.792 -12.717 2.611 1.00 0.00 H new ATOM 501 N THR A 37 -3.332 -8.963 0.762 1.00 0.00 N ATOM 502 CA THR A 37 -3.876 -7.608 0.444 1.00 0.00 C ATOM 503 C THR A 37 -4.070 -6.821 1.745 1.00 0.00 C ATOM 504 O THR A 37 -4.630 -7.321 2.701 1.00 0.00 O ATOM 505 CB THR A 37 -5.222 -7.872 -0.241 1.00 0.00 C ATOM 506 OG1 THR A 37 -6.027 -8.688 0.599 1.00 0.00 O ATOM 507 CG2 THR A 37 -4.986 -8.585 -1.573 1.00 0.00 C ATOM 0 H THR A 37 -4.033 -9.664 1.003 1.00 0.00 H new ATOM 0 HA THR A 37 -3.213 -7.022 -0.193 1.00 0.00 H new ATOM 0 HB THR A 37 -5.730 -6.925 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 37 -5.808 -8.508 1.537 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.943 -8.773 -2.060 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.368 -7.959 -2.216 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.478 -9.533 -1.393 1.00 0.00 H new ATOM 515 N THR A 38 -3.601 -5.603 1.802 1.00 0.00 N ATOM 516 CA THR A 38 -3.755 -4.811 3.059 1.00 0.00 C ATOM 517 C THR A 38 -4.306 -3.411 2.768 1.00 0.00 C ATOM 518 O THR A 38 -4.264 -2.930 1.652 1.00 0.00 O ATOM 519 CB THR A 38 -2.342 -4.720 3.646 1.00 0.00 C ATOM 520 OG1 THR A 38 -2.402 -4.099 4.921 1.00 0.00 O ATOM 521 CG2 THR A 38 -1.443 -3.898 2.718 1.00 0.00 C ATOM 0 H THR A 38 -3.121 -5.124 1.040 1.00 0.00 H new ATOM 0 HA THR A 38 -4.460 -5.280 3.746 1.00 0.00 H new ATOM 0 HB THR A 38 -1.928 -5.724 3.746 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.533 -4.183 5.367 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.441 -3.838 3.142 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.395 -4.377 1.740 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.852 -2.894 2.611 1.00 0.00 H new ATOM 529 N TRP A 39 -4.820 -2.754 3.775 1.00 0.00 N ATOM 530 CA TRP A 39 -5.372 -1.387 3.581 1.00 0.00 C ATOM 531 C TRP A 39 -4.251 -0.348 3.664 1.00 0.00 C ATOM 532 O TRP A 39 -4.107 0.497 2.803 1.00 0.00 O ATOM 533 CB TRP A 39 -6.359 -1.184 4.734 1.00 0.00 C ATOM 534 CG TRP A 39 -7.362 -2.295 4.758 1.00 0.00 C ATOM 535 CD1 TRP A 39 -7.193 -3.482 5.385 1.00 0.00 C ATOM 536 CD2 TRP A 39 -8.684 -2.339 4.146 1.00 0.00 C ATOM 537 NE1 TRP A 39 -8.327 -4.251 5.198 1.00 0.00 N ATOM 538 CE2 TRP A 39 -9.273 -3.591 4.441 1.00 0.00 C ATOM 539 CE3 TRP A 39 -9.422 -1.425 3.373 1.00 0.00 C ATOM 540 CZ2 TRP A 39 -10.548 -3.924 3.985 1.00 0.00 C ATOM 541 CZ3 TRP A 39 -10.705 -1.758 2.910 1.00 0.00 C ATOM 542 CH2 TRP A 39 -11.266 -3.007 3.217 1.00 0.00 C ATOM 0 H TRP A 39 -4.880 -3.111 4.729 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.849 -1.275 2.607 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.821 -1.150 5.681 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.868 -0.227 4.622 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.316 -3.780 5.941 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.449 -5.191 5.574 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.999 -0.460 3.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -10.977 -4.886 4.225 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.263 -1.050 2.315 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -12.253 -3.258 2.859 1.00 0.00 H new ATOM 553 N GLN A 40 -3.460 -0.403 4.704 1.00 0.00 N ATOM 554 CA GLN A 40 -2.349 0.583 4.861 1.00 0.00 C ATOM 555 C GLN A 40 -1.531 0.690 3.571 1.00 0.00 C ATOM 556 O GLN A 40 -1.661 -0.116 2.672 1.00 0.00 O ATOM 557 CB GLN A 40 -1.487 0.025 5.995 1.00 0.00 C ATOM 558 CG GLN A 40 -1.009 -1.381 5.628 1.00 0.00 C ATOM 559 CD GLN A 40 -0.320 -2.016 6.837 1.00 0.00 C ATOM 560 OE1 GLN A 40 0.841 -1.768 7.091 1.00 0.00 O ATOM 561 NE2 GLN A 40 -0.993 -2.835 7.599 1.00 0.00 N ATOM 0 H GLN A 40 -3.536 -1.090 5.454 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.720 1.585 5.077 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.631 0.677 6.171 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -2.061 -0.005 6.921 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.854 -1.994 5.314 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -0.319 -1.334 4.786 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.968 -3.044 7.387 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.543 -3.266 8.407 1.00 0.00 H new ATOM 570 N ASP A 41 -0.691 1.685 3.476 1.00 0.00 N ATOM 571 CA ASP A 41 0.135 1.850 2.245 1.00 0.00 C ATOM 572 C ASP A 41 1.594 1.461 2.532 1.00 0.00 C ATOM 573 O ASP A 41 2.159 1.894 3.517 1.00 0.00 O ATOM 574 CB ASP A 41 0.039 3.339 1.902 1.00 0.00 C ATOM 575 CG ASP A 41 -1.431 3.747 1.777 1.00 0.00 C ATOM 576 OD1 ASP A 41 -2.148 3.616 2.756 1.00 0.00 O ATOM 577 OD2 ASP A 41 -1.815 4.187 0.705 1.00 0.00 O ATOM 0 H ASP A 41 -0.541 2.391 4.197 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.210 1.218 1.427 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.526 3.932 2.676 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.563 3.541 0.968 1.00 0.00 H new ATOM 582 N PRO A 42 2.166 0.659 1.663 1.00 0.00 N ATOM 583 CA PRO A 42 3.571 0.227 1.845 1.00 0.00 C ATOM 584 C PRO A 42 4.536 1.332 1.398 1.00 0.00 C ATOM 585 O PRO A 42 5.411 1.112 0.585 1.00 0.00 O ATOM 586 CB PRO A 42 3.692 -0.991 0.938 1.00 0.00 C ATOM 587 CG PRO A 42 2.647 -0.805 -0.118 1.00 0.00 C ATOM 588 CD PRO A 42 1.570 0.082 0.453 1.00 0.00 C ATOM 0 HA PRO A 42 3.818 0.008 2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.687 -1.056 0.499 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.528 -1.914 1.495 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.081 -0.353 -1.010 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.231 -1.767 -0.418 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.280 0.859 -0.255 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.671 -0.488 0.687 1.00 0.00 H new ATOM 596 N ARG A 43 4.385 2.521 1.922 1.00 0.00 N ATOM 597 CA ARG A 43 5.295 3.640 1.527 1.00 0.00 C ATOM 598 C ARG A 43 4.904 4.918 2.273 1.00 0.00 C ATOM 599 O ARG A 43 5.592 5.361 3.171 1.00 0.00 O ATOM 600 CB ARG A 43 5.089 3.822 0.021 1.00 0.00 C ATOM 601 CG ARG A 43 6.444 3.768 -0.688 1.00 0.00 C ATOM 602 CD ARG A 43 6.238 3.394 -2.157 1.00 0.00 C ATOM 603 NE ARG A 43 7.616 3.270 -2.718 1.00 0.00 N ATOM 604 CZ ARG A 43 8.349 4.335 -2.948 1.00 0.00 C ATOM 605 NH1 ARG A 43 7.889 5.538 -2.703 1.00 0.00 N ATOM 606 NH2 ARG A 43 9.552 4.194 -3.432 1.00 0.00 N ATOM 0 H ARG A 43 3.670 2.766 2.607 1.00 0.00 H new ATOM 0 HA ARG A 43 6.336 3.426 1.769 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.433 3.041 -0.364 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.600 4.776 -0.178 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.943 4.734 -0.614 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.091 3.037 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.687 2.459 -2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.665 4.158 -2.683 1.00 0.00 H new ATOM 0 HE ARG A 43 7.993 2.345 -2.925 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.948 5.658 -2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.472 6.354 -2.888 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.917 3.262 -3.629 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.128 5.016 -3.614 1.00 0.00 H new ATOM 620 N LYS A 44 3.802 5.512 1.907 1.00 0.00 N ATOM 621 CA LYS A 44 3.362 6.761 2.594 1.00 0.00 C ATOM 622 C LYS A 44 2.843 6.440 3.999 1.00 0.00 C ATOM 623 O LYS A 44 2.743 7.305 4.845 1.00 0.00 O ATOM 624 CB LYS A 44 2.237 7.318 1.721 1.00 0.00 C ATOM 625 CG LYS A 44 1.900 8.741 2.170 1.00 0.00 C ATOM 626 CD LYS A 44 1.809 9.654 0.946 1.00 0.00 C ATOM 627 CE LYS A 44 3.183 10.265 0.663 1.00 0.00 C ATOM 628 NZ LYS A 44 2.988 11.733 0.822 1.00 0.00 N ATOM 0 H LYS A 44 3.186 5.187 1.162 1.00 0.00 H new ATOM 0 HA LYS A 44 4.177 7.475 2.713 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.541 7.318 0.674 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.355 6.683 1.797 1.00 0.00 H new ATOM 0 HG2 LYS A 44 0.955 8.748 2.713 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.664 9.108 2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 44 1.466 9.087 0.081 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.077 10.443 1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.934 9.888 1.358 1.00 0.00 H new ATOM 0 HE3 LYS A 44 3.526 10.018 -0.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 3.887 12.224 0.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 2.273 12.064 0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 2.668 11.938 1.790 1.00 0.00 H new ATOM 642 N ALA A 45 2.510 5.203 4.255 1.00 0.00 N ATOM 643 CA ALA A 45 1.997 4.835 5.606 1.00 0.00 C ATOM 644 C ALA A 45 3.030 3.986 6.351 1.00 0.00 C ATOM 645 O ALA A 45 2.908 2.782 6.446 1.00 0.00 O ATOM 646 CB ALA A 45 0.730 4.024 5.338 1.00 0.00 C ATOM 0 H ALA A 45 2.571 4.433 3.589 1.00 0.00 H new ATOM 0 HA ALA A 45 1.799 5.709 6.226 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.289 3.714 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.015 4.637 4.789 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.980 3.142 4.748 1.00 0.00 H new ATOM 652 N MET A 46 4.049 4.607 6.883 1.00 0.00 N ATOM 653 CA MET A 46 5.089 3.836 7.621 1.00 0.00 C ATOM 654 C MET A 46 5.867 4.763 8.560 1.00 0.00 C ATOM 655 O MET A 46 6.147 4.421 9.693 1.00 0.00 O ATOM 656 CB MET A 46 6.011 3.275 6.538 1.00 0.00 C ATOM 657 CG MET A 46 6.737 2.040 7.075 1.00 0.00 C ATOM 658 SD MET A 46 5.642 0.602 6.966 1.00 0.00 S ATOM 659 CE MET A 46 5.622 0.198 8.730 1.00 0.00 C ATOM 0 H MET A 46 4.205 5.614 6.838 1.00 0.00 H new ATOM 0 HA MET A 46 4.658 3.047 8.237 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.432 3.013 5.652 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.734 4.031 6.234 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.647 1.862 6.502 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.039 2.203 8.110 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.993 -0.677 8.896 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.637 -0.016 9.066 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.224 1.043 9.292 1.00 0.00 H new ATOM 669 N LEU A 47 6.217 5.932 8.099 1.00 0.00 N ATOM 670 CA LEU A 47 6.975 6.879 8.966 1.00 0.00 C ATOM 671 C LEU A 47 6.635 8.324 8.594 1.00 0.00 C ATOM 672 O LEU A 47 7.491 9.187 8.568 1.00 0.00 O ATOM 673 CB LEU A 47 8.448 6.584 8.680 1.00 0.00 C ATOM 674 CG LEU A 47 9.327 7.436 9.598 1.00 0.00 C ATOM 675 CD1 LEU A 47 9.972 6.542 10.660 1.00 0.00 C ATOM 676 CD2 LEU A 47 10.419 8.117 8.772 1.00 0.00 C ATOM 0 H LEU A 47 6.011 6.273 7.160 1.00 0.00 H new ATOM 0 HA LEU A 47 6.732 6.758 10.022 1.00 0.00 H new ATOM 0 HB2 LEU A 47 8.656 5.526 8.840 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.677 6.800 7.636 1.00 0.00 H new ATOM 0 HG LEU A 47 8.715 8.195 10.085 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.598 7.148 11.314 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.194 6.058 11.249 1.00 0.00 H new ATOM 0 HD13 LEU A 47 10.584 5.783 10.173 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.045 8.724 9.426 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.032 7.359 8.284 1.00 0.00 H new ATOM 0 HD23 LEU A 47 9.960 8.754 8.016 1.00 0.00 H new ATOM 688 N SER A 48 5.392 8.596 8.305 1.00 0.00 N ATOM 689 CA SER A 48 4.998 9.986 7.935 1.00 0.00 C ATOM 690 C SER A 48 4.021 10.552 8.969 1.00 0.00 C ATOM 691 O SER A 48 3.116 11.293 8.642 1.00 0.00 O ATOM 692 CB SER A 48 4.320 9.856 6.572 1.00 0.00 C ATOM 693 OG SER A 48 3.201 8.987 6.681 1.00 0.00 O ATOM 0 H SER A 48 4.632 7.916 8.309 1.00 0.00 H new ATOM 0 HA SER A 48 5.852 10.662 7.902 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.000 10.836 6.218 1.00 0.00 H new ATOM 0 HB3 SER A 48 5.026 9.467 5.838 1.00 0.00 H new ATOM 0 HG SER A 48 3.358 8.183 6.143 1.00 0.00 H new ATOM 699 N GLN A 49 4.197 10.208 10.217 1.00 0.00 N ATOM 700 CA GLN A 49 3.279 10.727 11.270 1.00 0.00 C ATOM 701 C GLN A 49 1.823 10.437 10.893 1.00 0.00 C ATOM 702 O GLN A 49 1.056 11.334 10.605 1.00 0.00 O ATOM 703 CB GLN A 49 3.532 12.235 11.311 1.00 0.00 C ATOM 704 CG GLN A 49 3.240 12.763 12.716 1.00 0.00 C ATOM 705 CD GLN A 49 3.700 14.219 12.818 1.00 0.00 C ATOM 706 OE1 GLN A 49 4.880 14.502 12.757 1.00 0.00 O ATOM 707 NE2 GLN A 49 2.811 15.163 12.973 1.00 0.00 N ATOM 0 H GLN A 49 4.937 9.590 10.552 1.00 0.00 H new ATOM 0 HA GLN A 49 3.456 10.258 12.238 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.565 12.449 11.038 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.899 12.741 10.582 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.173 12.691 12.929 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.755 12.155 13.459 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.820 14.927 13.024 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.108 16.136 13.043 1.00 0.00 H new ATOM 716 N MET A 50 1.438 9.190 10.894 1.00 0.00 N ATOM 717 CA MET A 50 0.031 8.844 10.537 1.00 0.00 C ATOM 718 C MET A 50 -0.515 7.790 11.502 1.00 0.00 C ATOM 719 O MET A 50 -1.694 7.852 11.810 1.00 0.00 O ATOM 720 CB MET A 50 0.112 8.283 9.117 1.00 0.00 C ATOM 721 CG MET A 50 -1.276 7.808 8.678 1.00 0.00 C ATOM 722 SD MET A 50 -1.305 7.618 6.878 1.00 0.00 S ATOM 723 CE MET A 50 -2.743 6.523 6.790 1.00 0.00 C ATOM 724 OXT MET A 50 0.254 6.939 11.917 1.00 0.00 O ATOM 0 H MET A 50 2.035 8.396 11.126 1.00 0.00 H new ATOM 0 HA MET A 50 -0.636 9.704 10.598 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.480 9.047 8.433 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.820 7.455 9.081 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.517 6.860 9.159 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.034 8.526 8.991 1.00 0.00 H new ATOM 0 HE1 MET A 50 -2.946 6.272 5.749 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.540 5.610 7.350 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.610 7.026 7.218 1.00 0.00 H new TER 734 MET A 50 ATOM 735 N GLY P 51 -14.187 -3.866 11.760 1.00 0.00 N ATOM 736 CA GLY P 51 -14.410 -3.487 10.336 1.00 0.00 C ATOM 737 C GLY P 51 -14.295 -4.730 9.451 1.00 0.00 C ATOM 738 O GLY P 51 -13.882 -5.783 9.894 1.00 0.00 O ATOM 0 HA2 GLY P 51 -15.395 -3.035 10.219 1.00 0.00 H new ATOM 0 HA3 GLY P 51 -13.678 -2.740 10.029 1.00 0.00 H new ATOM 744 N THR P 52 -14.659 -4.616 8.203 1.00 0.00 N ATOM 745 CA THR P 52 -14.571 -5.793 7.291 1.00 0.00 C ATOM 746 C THR P 52 -13.109 -6.054 6.903 1.00 0.00 C ATOM 747 O THR P 52 -12.320 -5.133 6.822 1.00 0.00 O ATOM 748 CB THR P 52 -15.390 -5.402 6.060 1.00 0.00 C ATOM 749 OG1 THR P 52 -15.392 -6.479 5.134 1.00 0.00 O ATOM 750 CG2 THR P 52 -14.774 -4.165 5.405 1.00 0.00 C ATOM 0 H THR P 52 -15.013 -3.760 7.775 1.00 0.00 H new ATOM 0 HA THR P 52 -14.944 -6.705 7.756 1.00 0.00 H new ATOM 0 HB THR P 52 -16.413 -5.178 6.361 1.00 0.00 H new ATOM 0 HG1 THR P 52 -15.918 -6.231 4.345 1.00 0.00 H new ATOM 0 HG21 THR P 52 -15.359 -3.888 4.528 1.00 0.00 H new ATOM 0 HG22 THR P 52 -14.773 -3.339 6.116 1.00 0.00 H new ATOM 0 HG23 THR P 52 -13.750 -4.385 5.103 1.00 0.00 H new ATOM 758 N PRO P 53 -12.791 -7.306 6.676 1.00 0.00 N ATOM 759 CA PRO P 53 -11.406 -7.675 6.293 1.00 0.00 C ATOM 760 C PRO P 53 -11.111 -7.233 4.854 1.00 0.00 C ATOM 761 O PRO P 53 -12.004 -6.816 4.144 1.00 0.00 O ATOM 762 CB PRO P 53 -11.394 -9.198 6.406 1.00 0.00 C ATOM 763 CG PRO P 53 -12.822 -9.609 6.228 1.00 0.00 C ATOM 764 CD PRO P 53 -13.674 -8.481 6.749 1.00 0.00 C ATOM 0 HA PRO P 53 -10.650 -7.200 6.918 1.00 0.00 H new ATOM 0 HB2 PRO P 53 -10.756 -9.646 5.644 1.00 0.00 H new ATOM 0 HB3 PRO P 53 -11.008 -9.519 7.373 1.00 0.00 H new ATOM 0 HG2 PRO P 53 -13.039 -9.803 5.178 1.00 0.00 H new ATOM 0 HG3 PRO P 53 -13.028 -10.531 6.772 1.00 0.00 H new ATOM 0 HD2 PRO P 53 -14.570 -8.345 6.144 1.00 0.00 H new ATOM 0 HD3 PRO P 53 -14.005 -8.669 7.770 1.00 0.00 H new ATOM 772 N PRO P 54 -9.862 -7.335 4.467 1.00 0.00 N ATOM 773 CA PRO P 54 -9.457 -6.936 3.095 1.00 0.00 C ATOM 774 C PRO P 54 -10.042 -7.898 2.052 1.00 0.00 C ATOM 775 O PRO P 54 -10.630 -8.903 2.400 1.00 0.00 O ATOM 776 CB PRO P 54 -7.932 -7.026 3.130 1.00 0.00 C ATOM 777 CG PRO P 54 -7.635 -7.999 4.224 1.00 0.00 C ATOM 778 CD PRO P 54 -8.718 -7.827 5.253 1.00 0.00 C ATOM 0 HA PRO P 54 -9.815 -5.944 2.817 1.00 0.00 H new ATOM 0 HB2 PRO P 54 -7.534 -7.370 2.175 1.00 0.00 H new ATOM 0 HB3 PRO P 54 -7.482 -6.054 3.332 1.00 0.00 H new ATOM 0 HG2 PRO P 54 -7.621 -9.020 3.842 1.00 0.00 H new ATOM 0 HG3 PRO P 54 -6.654 -7.808 4.658 1.00 0.00 H new ATOM 0 HD2 PRO P 54 -8.949 -8.767 5.754 1.00 0.00 H new ATOM 0 HD3 PRO P 54 -8.427 -7.117 6.027 1.00 0.00 H new ATOM 786 N PRO P 55 -9.863 -7.553 0.798 1.00 0.00 N ATOM 787 CA PRO P 55 -10.385 -8.399 -0.306 1.00 0.00 C ATOM 788 C PRO P 55 -9.588 -9.706 -0.410 1.00 0.00 C ATOM 789 O PRO P 55 -8.515 -9.818 0.147 1.00 0.00 O ATOM 790 CB PRO P 55 -10.177 -7.535 -1.548 1.00 0.00 C ATOM 791 CG PRO P 55 -9.063 -6.608 -1.189 1.00 0.00 C ATOM 792 CD PRO P 55 -9.165 -6.362 0.291 1.00 0.00 C ATOM 0 HA PRO P 55 -11.425 -8.692 -0.164 1.00 0.00 H new ATOM 0 HB2 PRO P 55 -9.920 -8.144 -2.415 1.00 0.00 H new ATOM 0 HB3 PRO P 55 -11.083 -6.984 -1.802 1.00 0.00 H new ATOM 0 HG2 PRO P 55 -8.098 -7.046 -1.443 1.00 0.00 H new ATOM 0 HG3 PRO P 55 -9.144 -5.673 -1.743 1.00 0.00 H new ATOM 0 HD2 PRO P 55 -8.181 -6.251 0.747 1.00 0.00 H new ATOM 0 HD3 PRO P 55 -9.721 -5.450 0.507 1.00 0.00 H new ATOM 800 N PRO P 56 -10.138 -10.656 -1.129 1.00 0.00 N ATOM 801 CA PRO P 56 -9.456 -11.962 -1.302 1.00 0.00 C ATOM 802 C PRO P 56 -8.241 -11.800 -2.218 1.00 0.00 C ATOM 803 O PRO P 56 -8.370 -11.608 -3.411 1.00 0.00 O ATOM 804 CB PRO P 56 -10.519 -12.841 -1.955 1.00 0.00 C ATOM 805 CG PRO P 56 -11.443 -11.885 -2.640 1.00 0.00 C ATOM 806 CD PRO P 56 -11.427 -10.610 -1.839 1.00 0.00 C ATOM 0 HA PRO P 56 -9.084 -12.383 -0.368 1.00 0.00 H new ATOM 0 HB2 PRO P 56 -10.074 -13.537 -2.666 1.00 0.00 H new ATOM 0 HB3 PRO P 56 -11.048 -13.438 -1.212 1.00 0.00 H new ATOM 0 HG2 PRO P 56 -11.119 -11.701 -3.664 1.00 0.00 H new ATOM 0 HG3 PRO P 56 -12.452 -12.295 -2.694 1.00 0.00 H new ATOM 0 HD2 PRO P 56 -11.498 -9.733 -2.482 1.00 0.00 H new ATOM 0 HD3 PRO P 56 -12.265 -10.564 -1.144 1.00 0.00 H new ATOM 814 N TYR P 57 -7.060 -11.864 -1.667 1.00 0.00 N ATOM 815 CA TYR P 57 -5.837 -11.703 -2.505 1.00 0.00 C ATOM 816 C TYR P 57 -5.876 -12.646 -3.707 1.00 0.00 C ATOM 817 O TYR P 57 -6.261 -13.795 -3.599 1.00 0.00 O ATOM 818 CB TYR P 57 -4.672 -12.069 -1.588 1.00 0.00 C ATOM 819 CG TYR P 57 -3.373 -11.847 -2.325 1.00 0.00 C ATOM 820 CD1 TYR P 57 -2.916 -12.800 -3.244 1.00 0.00 C ATOM 821 CD2 TYR P 57 -2.629 -10.685 -2.094 1.00 0.00 C ATOM 822 CE1 TYR P 57 -1.713 -12.589 -3.928 1.00 0.00 C ATOM 823 CE2 TYR P 57 -1.427 -10.474 -2.779 1.00 0.00 C ATOM 824 CZ TYR P 57 -0.969 -11.427 -3.695 1.00 0.00 C ATOM 825 OH TYR P 57 0.215 -11.222 -4.369 1.00 0.00 O ATOM 0 H TYR P 57 -6.889 -12.021 -0.674 1.00 0.00 H new ATOM 0 HA TYR P 57 -5.750 -10.691 -2.899 1.00 0.00 H new ATOM 0 HB2 TYR P 57 -4.700 -11.461 -0.684 1.00 0.00 H new ATOM 0 HB3 TYR P 57 -4.753 -13.110 -1.274 1.00 0.00 H new ATOM 0 HD1 TYR P 57 -3.491 -13.696 -3.425 1.00 0.00 H new ATOM 0 HD2 TYR P 57 -2.983 -9.950 -1.386 1.00 0.00 H new ATOM 0 HE1 TYR P 57 -1.359 -13.324 -4.636 1.00 0.00 H new ATOM 0 HE2 TYR P 57 -0.854 -9.576 -2.601 1.00 0.00 H new ATOM 0 HH TYR P 57 0.233 -10.311 -4.729 1.00 0.00 H new ATOM 835 N THR P 58 -5.468 -12.173 -4.851 1.00 0.00 N ATOM 836 CA THR P 58 -5.467 -13.042 -6.060 1.00 0.00 C ATOM 837 C THR P 58 -4.023 -13.303 -6.504 1.00 0.00 C ATOM 838 O THR P 58 -3.390 -14.233 -6.046 1.00 0.00 O ATOM 839 CB THR P 58 -6.251 -12.256 -7.116 1.00 0.00 C ATOM 840 OG1 THR P 58 -7.609 -12.153 -6.715 1.00 0.00 O ATOM 841 CG2 THR P 58 -6.168 -12.981 -8.461 1.00 0.00 C ATOM 0 H THR P 58 -5.135 -11.221 -5.001 1.00 0.00 H new ATOM 0 HA THR P 58 -5.919 -14.018 -5.884 1.00 0.00 H new ATOM 0 HB THR P 58 -5.825 -11.258 -7.217 1.00 0.00 H new ATOM 0 HG1 THR P 58 -8.112 -11.649 -7.389 1.00 0.00 H new ATOM 0 HG21 THR P 58 -6.726 -12.421 -9.211 1.00 0.00 H new ATOM 0 HG22 THR P 58 -5.125 -13.060 -8.768 1.00 0.00 H new ATOM 0 HG23 THR P 58 -6.594 -13.980 -8.363 1.00 0.00 H new ATOM 849 N VAL P 59 -3.492 -12.490 -7.379 1.00 0.00 N ATOM 850 CA VAL P 59 -2.086 -12.696 -7.838 1.00 0.00 C ATOM 851 C VAL P 59 -1.675 -11.571 -8.792 1.00 0.00 C ATOM 852 O VAL P 59 -0.920 -11.776 -9.721 1.00 0.00 O ATOM 853 CB VAL P 59 -2.093 -14.041 -8.566 1.00 0.00 C ATOM 854 CG1 VAL P 59 -3.058 -13.976 -9.751 1.00 0.00 C ATOM 855 CG2 VAL P 59 -0.684 -14.357 -9.071 1.00 0.00 C ATOM 0 H VAL P 59 -3.971 -11.692 -7.796 1.00 0.00 H new ATOM 0 HA VAL P 59 -1.377 -12.689 -7.010 1.00 0.00 H new ATOM 0 HB VAL P 59 -2.415 -14.823 -7.879 1.00 0.00 H new ATOM 0 HG11 VAL P 59 -3.063 -14.935 -10.269 1.00 0.00 H new ATOM 0 HG12 VAL P 59 -4.062 -13.754 -9.391 1.00 0.00 H new ATOM 0 HG13 VAL P 59 -2.738 -13.193 -10.439 1.00 0.00 H new ATOM 0 HG21 VAL P 59 -0.690 -15.316 -9.590 1.00 0.00 H new ATOM 0 HG22 VAL P 59 -0.360 -13.575 -9.758 1.00 0.00 H new ATOM 0 HG23 VAL P 59 0.003 -14.406 -8.226 1.00 0.00 H new ATOM 865 N GLY P 60 -2.168 -10.383 -8.571 1.00 0.00 N ATOM 866 CA GLY P 60 -1.806 -9.248 -9.464 1.00 0.00 C ATOM 867 C GLY P 60 -2.974 -8.946 -10.405 1.00 0.00 C ATOM 868 O GLY P 60 -2.863 -9.266 -11.577 1.00 0.00 O ATOM 869 OXT GLY P 60 -3.960 -8.400 -9.937 1.00 0.00 O ATOM 0 H GLY P 60 -2.806 -10.150 -7.810 1.00 0.00 H new ATOM 0 HA2 GLY P 60 -1.566 -8.366 -8.870 1.00 0.00 H new ATOM 0 HA3 GLY P 60 -0.915 -9.495 -10.041 1.00 0.00 H new TER 873 GLY P 60