USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 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 32 HIS : no HE2:sc= -2.07! C(o=-3.2!,f=-13!) USER MOD Set 1.2: P 57 TYR OH : rot -24:sc= -1.1! USER MOD Set 2.1: A 22 THR OG1 : rot 171:sc= -1.19 USER MOD Set 2.2: A 26 GLN : amide:sc= 0.0845 K(o=-1.1,f=-5.1!) USER MOD Single : A 19 MET CE :methyl -123:sc= -11.8! (180deg=-12.6!) USER MOD Single : A 21 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00931) 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 28 TYR OH : rot 30:sc= -0.876 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -13.6! C(o=-14!,f=-16!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 THR OG1 : rot -141:sc= 0.211 USER MOD Single : A 37 THR OG1 : rot -165:sc= 0.451 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -1.73! C(o=-1.7!,f=-4.6!) 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 -63:sc= 1.11 USER MOD Single : A 49 GLN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : P 52 THR OG1 : rot 180:sc= -0.602 USER MOD Single : P 58 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 5 -7.885 9.571 4.769 1.00 0.00 N ATOM 2 CA PHE A 5 -7.013 9.192 3.621 1.00 0.00 C ATOM 3 C PHE A 5 -5.697 9.974 3.674 1.00 0.00 C ATOM 4 O PHE A 5 -5.612 11.096 3.218 1.00 0.00 O ATOM 5 CB PHE A 5 -7.812 9.572 2.374 1.00 0.00 C ATOM 6 CG PHE A 5 -7.000 9.259 1.140 1.00 0.00 C ATOM 7 CD1 PHE A 5 -6.473 7.976 0.955 1.00 0.00 C ATOM 8 CD2 PHE A 5 -6.775 10.254 0.180 1.00 0.00 C ATOM 9 CE1 PHE A 5 -5.720 7.685 -0.188 1.00 0.00 C ATOM 10 CE2 PHE A 5 -6.023 9.963 -0.965 1.00 0.00 C ATOM 11 CZ PHE A 5 -5.495 8.679 -1.149 1.00 0.00 C ATOM 0 HA PHE A 5 -6.754 8.133 3.632 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -8.754 9.023 2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -8.062 10.633 2.398 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -6.648 7.209 1.695 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -7.181 11.245 0.323 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -5.313 6.695 -0.329 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -5.850 10.729 -1.706 1.00 0.00 H new ATOM 0 HZ PHE A 5 -4.914 8.455 -2.032 1.00 0.00 H new ATOM 21 N GLU A 6 -4.671 9.390 4.230 1.00 0.00 N ATOM 22 CA GLU A 6 -3.363 10.100 4.312 1.00 0.00 C ATOM 23 C GLU A 6 -2.324 9.400 3.432 1.00 0.00 C ATOM 24 O GLU A 6 -1.134 9.529 3.639 1.00 0.00 O ATOM 25 CB GLU A 6 -2.960 10.018 5.785 1.00 0.00 C ATOM 26 CG GLU A 6 -2.833 11.431 6.359 1.00 0.00 C ATOM 27 CD GLU A 6 -1.550 11.533 7.186 1.00 0.00 C ATOM 28 OE1 GLU A 6 -1.456 10.838 8.185 1.00 0.00 O ATOM 29 OE2 GLU A 6 -0.684 12.304 6.808 1.00 0.00 O ATOM 0 H GLU A 6 -4.682 8.452 4.631 1.00 0.00 H new ATOM 0 HA GLU A 6 -3.430 11.131 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -3.704 9.452 6.346 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -2.013 9.487 5.885 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -2.817 12.163 5.551 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -3.698 11.661 6.981 1.00 0.00 H new ATOM 36 N ILE A 7 -2.765 8.660 2.451 1.00 0.00 N ATOM 37 CA ILE A 7 -1.802 7.954 1.559 1.00 0.00 C ATOM 38 C ILE A 7 -1.716 8.667 0.202 1.00 0.00 C ATOM 39 O ILE A 7 -2.713 9.138 -0.308 1.00 0.00 O ATOM 40 CB ILE A 7 -2.379 6.549 1.387 1.00 0.00 C ATOM 41 CG1 ILE A 7 -2.522 5.883 2.760 1.00 0.00 C ATOM 42 CG2 ILE A 7 -1.441 5.716 0.509 1.00 0.00 C ATOM 43 CD1 ILE A 7 -1.143 5.747 3.411 1.00 0.00 C ATOM 0 H ILE A 7 -3.750 8.514 2.229 1.00 0.00 H new ATOM 0 HA ILE A 7 -0.794 7.934 1.973 1.00 0.00 H new ATOM 0 HB ILE A 7 -3.358 6.614 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -3.179 6.476 3.396 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.983 4.901 2.653 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -1.852 4.714 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.341 6.189 -0.468 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -0.462 5.651 0.983 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -1.247 5.273 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -0.500 5.136 2.777 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -0.699 6.735 3.533 1.00 0.00 H new ATOM 55 N PRO A 8 -0.525 8.723 -0.345 1.00 0.00 N ATOM 56 CA PRO A 8 -0.329 9.387 -1.658 1.00 0.00 C ATOM 57 C PRO A 8 -0.904 8.521 -2.782 1.00 0.00 C ATOM 58 O PRO A 8 -1.687 7.623 -2.547 1.00 0.00 O ATOM 59 CB PRO A 8 1.187 9.503 -1.781 1.00 0.00 C ATOM 60 CG PRO A 8 1.731 8.411 -0.914 1.00 0.00 C ATOM 61 CD PRO A 8 0.735 8.186 0.193 1.00 0.00 C ATOM 0 HA PRO A 8 -0.830 10.352 -1.730 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.509 9.383 -2.815 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.536 10.481 -1.450 1.00 0.00 H new ATOM 0 HG2 PRO A 8 1.878 7.498 -1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 8 2.703 8.691 -0.507 1.00 0.00 H new ATOM 0 HD2 PRO A 8 0.645 7.128 0.439 1.00 0.00 H new ATOM 0 HD3 PRO A 8 1.031 8.702 1.107 1.00 0.00 H new ATOM 69 N ASP A 9 -0.522 8.783 -4.001 1.00 0.00 N ATOM 70 CA ASP A 9 -1.047 7.972 -5.137 1.00 0.00 C ATOM 71 C ASP A 9 0.018 7.838 -6.230 1.00 0.00 C ATOM 72 O ASP A 9 0.208 6.781 -6.799 1.00 0.00 O ATOM 73 CB ASP A 9 -2.254 8.754 -5.657 1.00 0.00 C ATOM 74 CG ASP A 9 -3.474 7.834 -5.710 1.00 0.00 C ATOM 75 OD1 ASP A 9 -3.412 6.841 -6.417 1.00 0.00 O ATOM 76 OD2 ASP A 9 -4.450 8.136 -5.044 1.00 0.00 O ATOM 0 H ASP A 9 0.130 9.523 -4.260 1.00 0.00 H new ATOM 0 HA ASP A 9 -1.317 6.961 -4.832 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -2.456 9.606 -5.008 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -2.042 9.152 -6.649 1.00 0.00 H new ATOM 81 N ASP A 10 0.713 8.901 -6.526 1.00 0.00 N ATOM 82 CA ASP A 10 1.765 8.835 -7.582 1.00 0.00 C ATOM 83 C ASP A 10 2.856 7.831 -7.192 1.00 0.00 C ATOM 84 O ASP A 10 3.647 7.413 -8.014 1.00 0.00 O ATOM 85 CB ASP A 10 2.340 10.249 -7.654 1.00 0.00 C ATOM 86 CG ASP A 10 2.955 10.620 -6.303 1.00 0.00 C ATOM 87 OD1 ASP A 10 4.103 10.271 -6.082 1.00 0.00 O ATOM 88 OD2 ASP A 10 2.267 11.246 -5.513 1.00 0.00 O ATOM 0 H ASP A 10 0.599 9.813 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 10 1.364 8.505 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.096 10.306 -8.437 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.555 10.959 -7.916 1.00 0.00 H new ATOM 93 N VAL A 11 2.908 7.442 -5.946 1.00 0.00 N ATOM 94 CA VAL A 11 3.948 6.472 -5.512 1.00 0.00 C ATOM 95 C VAL A 11 3.918 5.223 -6.408 1.00 0.00 C ATOM 96 O VAL A 11 2.865 4.665 -6.644 1.00 0.00 O ATOM 97 CB VAL A 11 3.560 6.116 -4.079 1.00 0.00 C ATOM 98 CG1 VAL A 11 3.610 7.373 -3.210 1.00 0.00 C ATOM 99 CG2 VAL A 11 2.142 5.540 -4.063 1.00 0.00 C ATOM 0 H VAL A 11 2.274 7.756 -5.211 1.00 0.00 H new ATOM 0 HA VAL A 11 4.957 6.880 -5.578 1.00 0.00 H new ATOM 0 HB VAL A 11 4.257 5.376 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 11 3.333 7.119 -2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 11 4.620 7.783 -3.221 1.00 0.00 H new ATOM 0 HG13 VAL A 11 2.913 8.114 -3.601 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.864 5.286 -3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.444 6.280 -4.455 1.00 0.00 H new ATOM 0 HG23 VAL A 11 2.106 4.644 -4.682 1.00 0.00 H new ATOM 109 N PRO A 12 5.075 4.817 -6.880 1.00 0.00 N ATOM 110 CA PRO A 12 5.155 3.621 -7.753 1.00 0.00 C ATOM 111 C PRO A 12 5.074 2.325 -6.930 1.00 0.00 C ATOM 112 O PRO A 12 5.190 1.241 -7.463 1.00 0.00 O ATOM 113 CB PRO A 12 6.524 3.747 -8.411 1.00 0.00 C ATOM 114 CG PRO A 12 7.344 4.571 -7.466 1.00 0.00 C ATOM 115 CD PRO A 12 6.397 5.423 -6.656 1.00 0.00 C ATOM 0 HA PRO A 12 4.335 3.573 -8.470 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.975 2.768 -8.571 1.00 0.00 H new ATOM 0 HB3 PRO A 12 6.448 4.227 -9.387 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.934 3.929 -6.812 1.00 0.00 H new ATOM 0 HG3 PRO A 12 8.046 5.197 -8.016 1.00 0.00 H new ATOM 0 HD2 PRO A 12 6.663 5.417 -5.599 1.00 0.00 H new ATOM 0 HD3 PRO A 12 6.418 6.462 -6.984 1.00 0.00 H new ATOM 123 N LEU A 13 4.881 2.424 -5.636 1.00 0.00 N ATOM 124 CA LEU A 13 4.800 1.193 -4.786 1.00 0.00 C ATOM 125 C LEU A 13 6.123 0.413 -4.855 1.00 0.00 C ATOM 126 O LEU A 13 6.821 0.472 -5.848 1.00 0.00 O ATOM 127 CB LEU A 13 3.655 0.359 -5.368 1.00 0.00 C ATOM 128 CG LEU A 13 2.633 0.068 -4.267 1.00 0.00 C ATOM 129 CD1 LEU A 13 2.088 1.387 -3.720 1.00 0.00 C ATOM 130 CD2 LEU A 13 1.483 -0.762 -4.838 1.00 0.00 C ATOM 0 H LEU A 13 4.776 3.304 -5.132 1.00 0.00 H new ATOM 0 HA LEU A 13 4.624 1.436 -3.738 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.180 0.895 -6.189 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.041 -0.574 -5.778 1.00 0.00 H new ATOM 0 HG LEU A 13 3.115 -0.490 -3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 13 1.360 1.182 -2.935 1.00 0.00 H new ATOM 0 HD12 LEU A 13 2.907 1.977 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.608 1.944 -4.525 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.757 -0.967 -4.051 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.999 -0.208 -5.643 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.872 -1.703 -5.228 1.00 0.00 H new ATOM 142 N PRO A 14 6.427 -0.298 -3.796 1.00 0.00 N ATOM 143 CA PRO A 14 7.676 -1.091 -3.748 1.00 0.00 C ATOM 144 C PRO A 14 7.501 -2.440 -4.461 1.00 0.00 C ATOM 145 O PRO A 14 6.445 -2.750 -4.974 1.00 0.00 O ATOM 146 CB PRO A 14 7.928 -1.263 -2.254 1.00 0.00 C ATOM 147 CG PRO A 14 6.591 -1.109 -1.589 1.00 0.00 C ATOM 148 CD PRO A 14 5.652 -0.428 -2.557 1.00 0.00 C ATOM 0 HA PRO A 14 8.512 -0.611 -4.257 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.359 -2.241 -2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.634 -0.517 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 14 6.197 -2.083 -1.300 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.687 -0.521 -0.676 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.749 -1.018 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.336 0.546 -2.183 1.00 0.00 H new ATOM 156 N ALA A 15 8.541 -3.233 -4.515 1.00 0.00 N ATOM 157 CA ALA A 15 8.447 -4.554 -5.209 1.00 0.00 C ATOM 158 C ALA A 15 7.558 -5.515 -4.417 1.00 0.00 C ATOM 159 O ALA A 15 7.450 -5.422 -3.211 1.00 0.00 O ATOM 160 CB ALA A 15 9.883 -5.075 -5.262 1.00 0.00 C ATOM 0 H ALA A 15 9.452 -3.023 -4.108 1.00 0.00 H new ATOM 0 HA ALA A 15 8.005 -4.464 -6.202 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.900 -6.045 -5.759 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.505 -4.372 -5.817 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.270 -5.180 -4.248 1.00 0.00 H new ATOM 166 N GLY A 16 6.908 -6.433 -5.085 1.00 0.00 N ATOM 167 CA GLY A 16 6.022 -7.380 -4.368 1.00 0.00 C ATOM 168 C GLY A 16 4.946 -6.576 -3.652 1.00 0.00 C ATOM 169 O GLY A 16 4.427 -6.976 -2.630 1.00 0.00 O ATOM 0 H GLY A 16 6.957 -6.563 -6.096 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.569 -8.082 -5.069 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.595 -7.969 -3.652 1.00 0.00 H new ATOM 173 N TRP A 17 4.619 -5.431 -4.177 1.00 0.00 N ATOM 174 CA TRP A 17 3.594 -4.587 -3.521 1.00 0.00 C ATOM 175 C TRP A 17 2.738 -3.858 -4.560 1.00 0.00 C ATOM 176 O TRP A 17 3.130 -2.846 -5.102 1.00 0.00 O ATOM 177 CB TRP A 17 4.396 -3.579 -2.707 1.00 0.00 C ATOM 178 CG TRP A 17 4.718 -4.151 -1.368 1.00 0.00 C ATOM 179 CD1 TRP A 17 5.962 -4.417 -0.909 1.00 0.00 C ATOM 180 CD2 TRP A 17 3.802 -4.523 -0.308 1.00 0.00 C ATOM 181 NE1 TRP A 17 5.863 -4.916 0.380 1.00 0.00 N ATOM 182 CE2 TRP A 17 4.546 -5.002 0.792 1.00 0.00 C ATOM 183 CE3 TRP A 17 2.407 -4.483 -0.203 1.00 0.00 C ATOM 184 CZ2 TRP A 17 3.918 -5.427 1.965 1.00 0.00 C ATOM 185 CZ3 TRP A 17 1.769 -4.908 0.968 1.00 0.00 C ATOM 186 CH2 TRP A 17 2.522 -5.378 2.052 1.00 0.00 C ATOM 0 H TRP A 17 5.019 -5.045 -5.032 1.00 0.00 H new ATOM 0 HA TRP A 17 2.909 -5.177 -2.911 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.315 -3.322 -3.233 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.827 -2.657 -2.591 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.881 -4.266 -1.456 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.662 -5.186 0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.818 -4.121 -1.033 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.504 -5.790 2.797 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.692 -4.874 1.036 1.00 0.00 H new ATOM 0 HH2 TRP A 17 2.025 -5.702 2.954 1.00 0.00 H new ATOM 197 N GLU A 18 1.563 -4.354 -4.815 1.00 0.00 N ATOM 198 CA GLU A 18 0.657 -3.681 -5.789 1.00 0.00 C ATOM 199 C GLU A 18 -0.476 -3.033 -5.015 1.00 0.00 C ATOM 200 O GLU A 18 -0.441 -2.945 -3.806 1.00 0.00 O ATOM 201 CB GLU A 18 0.123 -4.798 -6.693 1.00 0.00 C ATOM 202 CG GLU A 18 0.019 -4.307 -8.140 1.00 0.00 C ATOM 203 CD GLU A 18 1.383 -3.798 -8.617 1.00 0.00 C ATOM 204 OE1 GLU A 18 2.175 -4.613 -9.059 1.00 0.00 O ATOM 205 OE2 GLU A 18 1.610 -2.603 -8.530 1.00 0.00 O ATOM 0 H GLU A 18 1.187 -5.201 -4.390 1.00 0.00 H new ATOM 0 HA GLU A 18 1.156 -2.910 -6.376 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.784 -5.663 -6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.856 -5.123 -6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.322 -5.117 -8.784 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -0.721 -3.510 -8.211 1.00 0.00 H new ATOM 212 N MET A 19 -1.475 -2.583 -5.693 1.00 0.00 N ATOM 213 CA MET A 19 -2.619 -1.954 -4.986 1.00 0.00 C ATOM 214 C MET A 19 -3.796 -1.797 -5.934 1.00 0.00 C ATOM 215 O MET A 19 -3.651 -1.819 -7.139 1.00 0.00 O ATOM 216 CB MET A 19 -2.109 -0.604 -4.485 1.00 0.00 C ATOM 217 CG MET A 19 -1.893 0.355 -5.661 1.00 0.00 C ATOM 218 SD MET A 19 -1.355 1.967 -5.041 1.00 0.00 S ATOM 219 CE MET A 19 0.183 2.065 -5.985 1.00 0.00 C ATOM 0 H MET A 19 -1.556 -2.620 -6.709 1.00 0.00 H new ATOM 0 HA MET A 19 -2.974 -2.561 -4.154 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.825 -0.175 -3.784 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.174 -0.740 -3.942 1.00 0.00 H new ATOM 0 HG2 MET A 19 -1.145 -0.052 -6.342 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.817 0.463 -6.229 1.00 0.00 H new ATOM 0 HE1 MET A 19 1.022 2.195 -5.301 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.319 1.146 -6.555 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.137 2.913 -6.668 1.00 0.00 H new ATOM 229 N ALA A 20 -4.964 -1.662 -5.392 1.00 0.00 N ATOM 230 CA ALA A 20 -6.159 -1.530 -6.251 1.00 0.00 C ATOM 231 C ALA A 20 -7.363 -1.143 -5.395 1.00 0.00 C ATOM 232 O ALA A 20 -7.272 -1.058 -4.185 1.00 0.00 O ATOM 233 CB ALA A 20 -6.328 -2.923 -6.853 1.00 0.00 C ATOM 0 H ALA A 20 -5.143 -1.637 -4.388 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.066 -0.762 -7.019 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.196 -2.932 -7.512 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.436 -3.184 -7.423 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.473 -3.650 -6.054 1.00 0.00 H new ATOM 239 N LYS A 21 -8.486 -0.898 -6.003 1.00 0.00 N ATOM 240 CA LYS A 21 -9.681 -0.509 -5.209 1.00 0.00 C ATOM 241 C LYS A 21 -10.608 -1.709 -5.023 1.00 0.00 C ATOM 242 O LYS A 21 -10.732 -2.555 -5.887 1.00 0.00 O ATOM 243 CB LYS A 21 -10.366 0.581 -6.033 1.00 0.00 C ATOM 244 CG LYS A 21 -9.781 1.945 -5.663 1.00 0.00 C ATOM 245 CD LYS A 21 -8.497 2.182 -6.461 1.00 0.00 C ATOM 246 CE LYS A 21 -8.742 3.272 -7.507 1.00 0.00 C ATOM 247 NZ LYS A 21 -9.355 2.560 -8.664 1.00 0.00 N ATOM 0 H LYS A 21 -8.629 -0.950 -7.012 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.418 -0.159 -4.211 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -10.225 0.390 -7.097 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.440 0.572 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.504 2.733 -5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -9.570 1.985 -4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -7.690 2.480 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -8.183 1.259 -6.948 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -9.406 4.047 -7.123 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.811 3.762 -7.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.522 3.235 -9.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.712 1.811 -8.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -10.259 2.137 -8.372 1.00 0.00 H new ATOM 261 N THR A 22 -11.257 -1.790 -3.897 1.00 0.00 N ATOM 262 CA THR A 22 -12.176 -2.934 -3.643 1.00 0.00 C ATOM 263 C THR A 22 -13.539 -2.666 -4.282 1.00 0.00 C ATOM 264 O THR A 22 -13.651 -1.957 -5.263 1.00 0.00 O ATOM 265 CB THR A 22 -12.300 -3.017 -2.119 1.00 0.00 C ATOM 266 OG1 THR A 22 -12.981 -1.867 -1.637 1.00 0.00 O ATOM 267 CG2 THR A 22 -10.905 -3.088 -1.493 1.00 0.00 C ATOM 0 H THR A 22 -11.191 -1.111 -3.138 1.00 0.00 H new ATOM 0 HA THR A 22 -11.804 -3.866 -4.069 1.00 0.00 H new ATOM 0 HB THR A 22 -12.861 -3.911 -1.849 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.196 -1.988 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 22 -10.995 -3.147 -0.408 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.385 -3.972 -1.862 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.340 -2.196 -1.762 1.00 0.00 H new ATOM 275 N SER A 23 -14.573 -3.235 -3.733 1.00 0.00 N ATOM 276 CA SER A 23 -15.944 -3.034 -4.297 1.00 0.00 C ATOM 277 C SER A 23 -16.208 -1.552 -4.600 1.00 0.00 C ATOM 278 O SER A 23 -16.931 -1.222 -5.519 1.00 0.00 O ATOM 279 CB SER A 23 -16.893 -3.530 -3.205 1.00 0.00 C ATOM 280 OG SER A 23 -17.956 -4.261 -3.799 1.00 0.00 O ATOM 0 H SER A 23 -14.531 -3.837 -2.910 1.00 0.00 H new ATOM 0 HA SER A 23 -16.075 -3.568 -5.238 1.00 0.00 H new ATOM 0 HB2 SER A 23 -16.354 -4.161 -2.498 1.00 0.00 H new ATOM 0 HB3 SER A 23 -17.289 -2.685 -2.641 1.00 0.00 H new ATOM 0 HG SER A 23 -18.564 -4.581 -3.100 1.00 0.00 H new ATOM 286 N SER A 24 -15.634 -0.657 -3.841 1.00 0.00 N ATOM 287 CA SER A 24 -15.867 0.793 -4.102 1.00 0.00 C ATOM 288 C SER A 24 -14.553 1.481 -4.480 1.00 0.00 C ATOM 289 O SER A 24 -14.260 1.684 -5.642 1.00 0.00 O ATOM 290 CB SER A 24 -16.408 1.351 -2.786 1.00 0.00 C ATOM 291 OG SER A 24 -17.790 1.039 -2.673 1.00 0.00 O ATOM 0 H SER A 24 -15.017 -0.866 -3.056 1.00 0.00 H new ATOM 0 HA SER A 24 -16.559 0.958 -4.928 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.858 0.927 -1.945 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.264 2.431 -2.749 1.00 0.00 H new ATOM 0 HG SER A 24 -18.138 1.395 -1.829 1.00 0.00 H new ATOM 297 N GLY A 25 -13.756 1.838 -3.510 1.00 0.00 N ATOM 298 CA GLY A 25 -12.461 2.509 -3.821 1.00 0.00 C ATOM 299 C GLY A 25 -11.533 2.428 -2.610 1.00 0.00 C ATOM 300 O GLY A 25 -10.649 3.245 -2.445 1.00 0.00 O ATOM 0 H GLY A 25 -13.945 1.695 -2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.992 2.034 -4.683 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.636 3.551 -4.088 1.00 0.00 H new ATOM 304 N GLN A 26 -11.711 1.447 -1.768 1.00 0.00 N ATOM 305 CA GLN A 26 -10.819 1.322 -0.584 1.00 0.00 C ATOM 306 C GLN A 26 -9.403 1.005 -1.064 1.00 0.00 C ATOM 307 O GLN A 26 -8.978 -0.133 -1.078 1.00 0.00 O ATOM 308 CB GLN A 26 -11.394 0.160 0.227 1.00 0.00 C ATOM 309 CG GLN A 26 -12.686 0.607 0.913 1.00 0.00 C ATOM 310 CD GLN A 26 -13.158 -0.486 1.874 1.00 0.00 C ATOM 311 OE1 GLN A 26 -13.648 -1.513 1.450 1.00 0.00 O ATOM 312 NE2 GLN A 26 -13.028 -0.306 3.161 1.00 0.00 N ATOM 0 H GLN A 26 -12.432 0.730 -1.849 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.768 2.232 0.013 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.592 -0.690 -0.426 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.670 -0.171 0.972 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -12.519 1.537 1.457 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -13.455 0.808 0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.616 0.557 3.516 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.338 -1.028 3.811 1.00 0.00 H new ATOM 321 N ARG A 27 -8.680 2.007 -1.485 1.00 0.00 N ATOM 322 CA ARG A 27 -7.301 1.776 -1.999 1.00 0.00 C ATOM 323 C ARG A 27 -6.495 0.882 -1.062 1.00 0.00 C ATOM 324 O ARG A 27 -5.990 1.319 -0.048 1.00 0.00 O ATOM 325 CB ARG A 27 -6.660 3.159 -2.083 1.00 0.00 C ATOM 326 CG ARG A 27 -6.119 3.374 -3.494 1.00 0.00 C ATOM 327 CD ARG A 27 -5.073 4.487 -3.475 1.00 0.00 C ATOM 328 NE ARG A 27 -5.726 5.639 -4.164 1.00 0.00 N ATOM 329 CZ ARG A 27 -5.984 5.597 -5.451 1.00 0.00 C ATOM 330 NH1 ARG A 27 -5.676 4.543 -6.168 1.00 0.00 N ATOM 331 NH2 ARG A 27 -6.556 6.619 -6.026 1.00 0.00 N ATOM 0 H ARG A 27 -8.987 2.980 -1.495 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.325 1.269 -2.964 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.393 3.928 -1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.854 3.245 -1.354 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.677 2.451 -3.870 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.932 3.636 -4.171 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.790 4.746 -2.455 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -4.162 4.182 -3.991 1.00 0.00 H new ATOM 0 HE ARG A 27 -5.975 6.470 -3.628 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.229 3.739 -5.727 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.884 4.527 -7.167 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.800 7.443 -5.476 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.760 6.594 -7.025 1.00 0.00 H new ATOM 345 N TYR A 28 -6.342 -0.361 -1.416 1.00 0.00 N ATOM 346 CA TYR A 28 -5.534 -1.272 -0.567 1.00 0.00 C ATOM 347 C TYR A 28 -4.301 -1.702 -1.356 1.00 0.00 C ATOM 348 O TYR A 28 -4.320 -1.746 -2.571 1.00 0.00 O ATOM 349 CB TYR A 28 -6.450 -2.452 -0.222 1.00 0.00 C ATOM 350 CG TYR A 28 -6.662 -3.362 -1.411 1.00 0.00 C ATOM 351 CD1 TYR A 28 -7.592 -3.026 -2.401 1.00 0.00 C ATOM 352 CD2 TYR A 28 -5.957 -4.565 -1.498 1.00 0.00 C ATOM 353 CE1 TYR A 28 -7.811 -3.891 -3.479 1.00 0.00 C ATOM 354 CE2 TYR A 28 -6.181 -5.435 -2.569 1.00 0.00 C ATOM 355 CZ TYR A 28 -7.107 -5.097 -3.562 1.00 0.00 C ATOM 356 OH TYR A 28 -7.329 -5.955 -4.619 1.00 0.00 O ATOM 0 H TYR A 28 -6.741 -0.784 -2.254 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.179 -0.806 0.352 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.016 -3.022 0.599 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.413 -2.076 0.125 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.141 -2.099 -2.333 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.237 -4.824 -0.736 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.523 -3.628 -4.247 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.640 -6.368 -2.630 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.589 -5.439 -5.410 1.00 0.00 H new ATOM 366 N PHE A 29 -3.219 -1.984 -0.691 1.00 0.00 N ATOM 367 CA PHE A 29 -1.990 -2.365 -1.435 1.00 0.00 C ATOM 368 C PHE A 29 -1.741 -3.868 -1.360 1.00 0.00 C ATOM 369 O PHE A 29 -1.430 -4.420 -0.325 1.00 0.00 O ATOM 370 CB PHE A 29 -0.864 -1.572 -0.770 1.00 0.00 C ATOM 371 CG PHE A 29 -1.128 -0.095 -0.965 1.00 0.00 C ATOM 372 CD1 PHE A 29 -2.166 0.530 -0.262 1.00 0.00 C ATOM 373 CD2 PHE A 29 -0.347 0.647 -1.858 1.00 0.00 C ATOM 374 CE1 PHE A 29 -2.421 1.890 -0.450 1.00 0.00 C ATOM 375 CE2 PHE A 29 -0.602 2.011 -2.044 1.00 0.00 C ATOM 376 CZ PHE A 29 -1.639 2.632 -1.341 1.00 0.00 C ATOM 0 H PHE A 29 -3.132 -1.968 0.325 1.00 0.00 H new ATOM 0 HA PHE A 29 -2.068 -2.138 -2.498 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.812 -1.809 0.293 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.098 -1.844 -1.205 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.770 -0.041 0.427 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.452 0.168 -2.404 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.222 2.369 0.093 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.003 2.584 -2.731 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.836 3.684 -1.486 1.00 0.00 H new ATOM 386 N LYS A 30 -1.863 -4.518 -2.477 1.00 0.00 N ATOM 387 CA LYS A 30 -1.625 -5.979 -2.541 1.00 0.00 C ATOM 388 C LYS A 30 -0.158 -6.269 -2.246 1.00 0.00 C ATOM 389 O LYS A 30 0.701 -5.428 -2.431 1.00 0.00 O ATOM 390 CB LYS A 30 -1.962 -6.337 -3.985 1.00 0.00 C ATOM 391 CG LYS A 30 -3.448 -6.125 -4.231 1.00 0.00 C ATOM 392 CD LYS A 30 -4.072 -7.412 -4.773 1.00 0.00 C ATOM 393 CE LYS A 30 -4.914 -7.090 -6.010 1.00 0.00 C ATOM 394 NZ LYS A 30 -4.368 -7.972 -7.081 1.00 0.00 N ATOM 0 H LYS A 30 -2.123 -4.089 -3.365 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.214 -6.548 -1.821 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.379 -5.720 -4.669 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.695 -7.375 -4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.941 -5.833 -3.304 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.596 -5.311 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.291 -8.128 -5.028 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.694 -7.877 -4.008 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.971 -7.290 -5.833 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.830 -6.038 -6.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -4.893 -7.811 -7.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -3.362 -7.754 -7.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -4.467 -8.967 -6.795 1.00 0.00 H new ATOM 408 N ASN A 31 0.141 -7.446 -1.792 1.00 0.00 N ATOM 409 CA ASN A 31 1.557 -7.781 -1.487 1.00 0.00 C ATOM 410 C ASN A 31 1.933 -9.101 -2.149 1.00 0.00 C ATOM 411 O ASN A 31 1.477 -10.153 -1.742 1.00 0.00 O ATOM 412 CB ASN A 31 1.609 -7.926 0.033 1.00 0.00 C ATOM 413 CG ASN A 31 3.057 -7.802 0.507 1.00 0.00 C ATOM 414 OD1 ASN A 31 3.921 -7.394 -0.243 1.00 0.00 O ATOM 415 ND2 ASN A 31 3.361 -8.139 1.730 1.00 0.00 N ATOM 0 H ASN A 31 -0.531 -8.193 -1.618 1.00 0.00 H new ATOM 0 HA ASN A 31 2.249 -7.023 -1.853 1.00 0.00 H new ATOM 0 HB2 ASN A 31 0.994 -7.159 0.504 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.199 -8.891 0.331 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.324 -8.060 2.056 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.636 -8.482 2.360 1.00 0.00 H new ATOM 422 N HIS A 32 2.773 -9.073 -3.151 1.00 0.00 N ATOM 423 CA HIS A 32 3.166 -10.356 -3.788 1.00 0.00 C ATOM 424 C HIS A 32 4.424 -10.896 -3.096 1.00 0.00 C ATOM 425 O HIS A 32 5.038 -11.842 -3.550 1.00 0.00 O ATOM 426 CB HIS A 32 3.418 -10.030 -5.263 1.00 0.00 C ATOM 427 CG HIS A 32 2.202 -9.346 -5.837 1.00 0.00 C ATOM 428 ND1 HIS A 32 1.114 -10.056 -6.322 1.00 0.00 N ATOM 429 CD2 HIS A 32 1.879 -8.021 -5.986 1.00 0.00 C ATOM 430 CE1 HIS A 32 0.195 -9.161 -6.731 1.00 0.00 C ATOM 431 NE2 HIS A 32 0.612 -7.907 -6.549 1.00 0.00 N ATOM 0 H HIS A 32 3.195 -8.233 -3.547 1.00 0.00 H new ATOM 0 HA HIS A 32 2.400 -11.127 -3.700 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.292 -9.386 -5.361 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.632 -10.944 -5.818 1.00 0.00 H new ATOM 0 HD1 HIS A 32 1.026 -11.071 -6.362 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.513 -7.192 -5.708 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.763 -9.426 -7.155 1.00 0.00 H new ATOM 439 N ILE A 33 4.792 -10.318 -1.973 1.00 0.00 N ATOM 440 CA ILE A 33 5.978 -10.813 -1.226 1.00 0.00 C ATOM 441 C ILE A 33 5.577 -12.098 -0.522 1.00 0.00 C ATOM 442 O ILE A 33 6.160 -13.147 -0.712 1.00 0.00 O ATOM 443 CB ILE A 33 6.291 -9.720 -0.195 1.00 0.00 C ATOM 444 CG1 ILE A 33 6.757 -8.446 -0.904 1.00 0.00 C ATOM 445 CG2 ILE A 33 7.399 -10.204 0.743 1.00 0.00 C ATOM 446 CD1 ILE A 33 7.937 -8.782 -1.818 1.00 0.00 C ATOM 0 H ILE A 33 4.315 -9.523 -1.547 1.00 0.00 H new ATOM 0 HA ILE A 33 6.840 -11.013 -1.862 1.00 0.00 H new ATOM 0 HB ILE A 33 5.388 -9.505 0.377 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.940 -8.020 -1.487 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.051 -7.695 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 33 7.621 -9.427 1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.070 -11.106 1.259 1.00 0.00 H new ATOM 0 HG23 ILE A 33 8.296 -10.424 0.164 1.00 0.00 H new ATOM 0 HD11 ILE A 33 8.273 -7.878 -2.326 1.00 0.00 H new ATOM 0 HD12 ILE A 33 8.754 -9.189 -1.222 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.626 -9.519 -2.558 1.00 0.00 H new ATOM 458 N ASP A 34 4.550 -12.014 0.270 1.00 0.00 N ATOM 459 CA ASP A 34 4.049 -13.215 0.977 1.00 0.00 C ATOM 460 C ASP A 34 2.591 -13.461 0.566 1.00 0.00 C ATOM 461 O ASP A 34 1.843 -14.128 1.252 1.00 0.00 O ATOM 462 CB ASP A 34 4.147 -12.878 2.465 1.00 0.00 C ATOM 463 CG ASP A 34 3.289 -11.648 2.767 1.00 0.00 C ATOM 464 OD1 ASP A 34 3.478 -10.640 2.105 1.00 0.00 O ATOM 465 OD2 ASP A 34 2.456 -11.734 3.654 1.00 0.00 O ATOM 0 H ASP A 34 4.033 -11.155 0.458 1.00 0.00 H new ATOM 0 HA ASP A 34 4.615 -14.116 0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.811 -13.725 3.063 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.185 -12.687 2.738 1.00 0.00 H new ATOM 470 N GLN A 35 2.189 -12.915 -0.558 1.00 0.00 N ATOM 471 CA GLN A 35 0.789 -13.093 -1.040 1.00 0.00 C ATOM 472 C GLN A 35 -0.214 -12.596 0.008 1.00 0.00 C ATOM 473 O GLN A 35 -0.684 -13.353 0.834 1.00 0.00 O ATOM 474 CB GLN A 35 0.629 -14.598 -1.270 1.00 0.00 C ATOM 475 CG GLN A 35 1.724 -15.091 -2.216 1.00 0.00 C ATOM 476 CD GLN A 35 1.670 -16.617 -2.309 1.00 0.00 C ATOM 477 OE1 GLN A 35 2.651 -17.288 -2.060 1.00 0.00 O ATOM 478 NE2 GLN A 35 0.555 -17.198 -2.661 1.00 0.00 N ATOM 0 H GLN A 35 2.781 -12.348 -1.166 1.00 0.00 H new ATOM 0 HA GLN A 35 0.598 -12.521 -1.948 1.00 0.00 H new ATOM 0 HB2 GLN A 35 0.688 -15.130 -0.320 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.353 -14.809 -1.693 1.00 0.00 H new ATOM 0 HG2 GLN A 35 1.591 -14.651 -3.204 1.00 0.00 H new ATOM 0 HG3 GLN A 35 2.702 -14.773 -1.855 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.269 -16.635 -2.870 1.00 0.00 H new ATOM 0 HE22 GLN A 35 0.508 -18.215 -2.727 1.00 0.00 H new ATOM 487 N THR A 36 -0.552 -11.331 -0.023 1.00 0.00 N ATOM 488 CA THR A 36 -1.533 -10.793 0.973 1.00 0.00 C ATOM 489 C THR A 36 -1.891 -9.336 0.648 1.00 0.00 C ATOM 490 O THR A 36 -1.067 -8.571 0.192 1.00 0.00 O ATOM 491 CB THR A 36 -0.832 -10.873 2.338 1.00 0.00 C ATOM 492 OG1 THR A 36 0.576 -10.964 2.159 1.00 0.00 O ATOM 493 CG2 THR A 36 -1.331 -12.101 3.100 1.00 0.00 C ATOM 0 H THR A 36 -0.194 -10.649 -0.691 1.00 0.00 H new ATOM 0 HA THR A 36 -2.462 -11.362 0.961 1.00 0.00 H new ATOM 0 HB THR A 36 -1.061 -9.973 2.908 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.949 -11.589 2.815 1.00 0.00 H new ATOM 0 HG21 THR A 36 -0.833 -12.156 4.068 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.408 -12.023 3.250 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.109 -13.001 2.526 1.00 0.00 H new ATOM 501 N THR A 37 -3.118 -8.948 0.889 1.00 0.00 N ATOM 502 CA THR A 37 -3.534 -7.538 0.602 1.00 0.00 C ATOM 503 C THR A 37 -3.565 -6.741 1.913 1.00 0.00 C ATOM 504 O THR A 37 -4.095 -7.195 2.907 1.00 0.00 O ATOM 505 CB THR A 37 -4.945 -7.640 0.000 1.00 0.00 C ATOM 506 OG1 THR A 37 -5.858 -8.049 1.008 1.00 0.00 O ATOM 507 CG2 THR A 37 -4.963 -8.655 -1.146 1.00 0.00 C ATOM 0 H THR A 37 -3.851 -9.545 1.272 1.00 0.00 H new ATOM 0 HA THR A 37 -2.849 -7.031 -0.077 1.00 0.00 H new ATOM 0 HB THR A 37 -5.235 -6.664 -0.389 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.698 -8.336 0.592 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.969 -8.716 -1.562 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.267 -8.339 -1.923 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.666 -9.634 -0.770 1.00 0.00 H new ATOM 515 N THR A 38 -2.996 -5.563 1.933 1.00 0.00 N ATOM 516 CA THR A 38 -2.999 -4.765 3.197 1.00 0.00 C ATOM 517 C THR A 38 -3.658 -3.395 2.986 1.00 0.00 C ATOM 518 O THR A 38 -3.890 -2.967 1.872 1.00 0.00 O ATOM 519 CB THR A 38 -1.517 -4.614 3.583 1.00 0.00 C ATOM 520 OG1 THR A 38 -1.428 -4.175 4.932 1.00 0.00 O ATOM 521 CG2 THR A 38 -0.819 -3.594 2.672 1.00 0.00 C ATOM 0 H THR A 38 -2.534 -5.122 1.138 1.00 0.00 H new ATOM 0 HA THR A 38 -3.574 -5.255 3.983 1.00 0.00 H new ATOM 0 HB THR A 38 -1.025 -5.580 3.467 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.486 -4.079 5.183 1.00 0.00 H new ATOM 0 HG21 THR A 38 0.228 -3.503 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 38 -0.880 -3.929 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.308 -2.625 2.769 1.00 0.00 H new ATOM 529 N TRP A 39 -3.952 -2.708 4.056 1.00 0.00 N ATOM 530 CA TRP A 39 -4.587 -1.369 3.943 1.00 0.00 C ATOM 531 C TRP A 39 -3.513 -0.283 3.846 1.00 0.00 C ATOM 532 O TRP A 39 -3.298 0.301 2.803 1.00 0.00 O ATOM 533 CB TRP A 39 -5.393 -1.205 5.232 1.00 0.00 C ATOM 534 CG TRP A 39 -6.694 -1.931 5.113 1.00 0.00 C ATOM 535 CD1 TRP A 39 -7.194 -2.790 6.034 1.00 0.00 C ATOM 536 CD2 TRP A 39 -7.667 -1.880 4.032 1.00 0.00 C ATOM 537 NE1 TRP A 39 -8.413 -3.263 5.588 1.00 0.00 N ATOM 538 CE2 TRP A 39 -8.748 -2.732 4.358 1.00 0.00 C ATOM 539 CE3 TRP A 39 -7.718 -1.182 2.813 1.00 0.00 C ATOM 540 CZ2 TRP A 39 -9.839 -2.887 3.505 1.00 0.00 C ATOM 541 CZ3 TRP A 39 -8.815 -1.339 1.951 1.00 0.00 C ATOM 542 CH2 TRP A 39 -9.873 -2.189 2.298 1.00 0.00 C ATOM 0 H TRP A 39 -3.777 -3.022 5.011 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.212 -1.282 3.054 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -4.826 -1.593 6.078 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -5.573 -0.148 5.427 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.717 -3.061 6.965 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.994 -3.923 6.104 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -6.909 -0.521 2.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -10.653 -3.543 3.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -8.843 -0.801 1.015 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -10.715 -2.304 1.631 1.00 0.00 H new ATOM 553 N GLN A 40 -2.837 -0.009 4.930 1.00 0.00 N ATOM 554 CA GLN A 40 -1.776 1.039 4.908 1.00 0.00 C ATOM 555 C GLN A 40 -0.806 0.789 3.750 1.00 0.00 C ATOM 556 O GLN A 40 -0.221 -0.269 3.635 1.00 0.00 O ATOM 557 CB GLN A 40 -1.057 0.899 6.251 1.00 0.00 C ATOM 558 CG GLN A 40 -1.389 2.103 7.135 1.00 0.00 C ATOM 559 CD GLN A 40 -0.863 1.857 8.550 1.00 0.00 C ATOM 560 OE1 GLN A 40 0.255 1.415 8.727 1.00 0.00 O ATOM 561 NE2 GLN A 40 -1.627 2.125 9.573 1.00 0.00 N ATOM 0 H GLN A 40 -2.974 -0.467 5.831 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.186 2.039 4.766 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.362 -0.023 6.745 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.020 0.835 6.094 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.941 3.006 6.721 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.467 2.264 7.159 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.566 2.496 9.425 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.286 1.964 10.521 1.00 0.00 H new ATOM 570 N ASP A 41 -0.635 1.754 2.890 1.00 0.00 N ATOM 571 CA ASP A 41 0.293 1.569 1.739 1.00 0.00 C ATOM 572 C ASP A 41 1.686 1.159 2.237 1.00 0.00 C ATOM 573 O ASP A 41 2.070 1.496 3.339 1.00 0.00 O ATOM 574 CB ASP A 41 0.343 2.932 1.043 1.00 0.00 C ATOM 575 CG ASP A 41 0.987 3.965 1.970 1.00 0.00 C ATOM 576 OD1 ASP A 41 0.875 3.805 3.174 1.00 0.00 O ATOM 577 OD2 ASP A 41 1.581 4.900 1.458 1.00 0.00 O ATOM 0 H ASP A 41 -1.097 2.662 2.934 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.041 0.782 1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.912 2.857 0.117 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -0.664 3.250 0.773 1.00 0.00 H new ATOM 582 N PRO A 42 2.402 0.443 1.404 1.00 0.00 N ATOM 583 CA PRO A 42 3.766 -0.010 1.775 1.00 0.00 C ATOM 584 C PRO A 42 4.742 1.174 1.789 1.00 0.00 C ATOM 585 O PRO A 42 5.826 1.087 2.331 1.00 0.00 O ATOM 586 CB PRO A 42 4.128 -0.999 0.672 1.00 0.00 C ATOM 587 CG PRO A 42 3.290 -0.593 -0.497 1.00 0.00 C ATOM 588 CD PRO A 42 2.020 -0.009 0.058 1.00 0.00 C ATOM 0 HA PRO A 42 3.813 -0.452 2.770 1.00 0.00 H new ATOM 0 HB2 PRO A 42 5.190 -0.952 0.432 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.914 -2.024 0.975 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.814 0.138 -1.113 1.00 0.00 H new ATOM 0 HG3 PRO A 42 3.075 -1.451 -1.134 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.659 0.817 -0.554 1.00 0.00 H new ATOM 0 HD3 PRO A 42 1.222 -0.750 0.096 1.00 0.00 H new ATOM 596 N ARG A 43 4.370 2.278 1.198 1.00 0.00 N ATOM 597 CA ARG A 43 5.281 3.458 1.181 1.00 0.00 C ATOM 598 C ARG A 43 5.051 4.326 2.423 1.00 0.00 C ATOM 599 O ARG A 43 5.798 4.267 3.379 1.00 0.00 O ATOM 600 CB ARG A 43 4.908 4.228 -0.086 1.00 0.00 C ATOM 601 CG ARG A 43 6.066 4.161 -1.084 1.00 0.00 C ATOM 602 CD ARG A 43 5.792 3.063 -2.112 1.00 0.00 C ATOM 603 NE ARG A 43 7.074 2.307 -2.218 1.00 0.00 N ATOM 604 CZ ARG A 43 8.135 2.853 -2.768 1.00 0.00 C ATOM 605 NH1 ARG A 43 8.098 4.076 -3.239 1.00 0.00 N ATOM 606 NH2 ARG A 43 9.243 2.168 -2.845 1.00 0.00 N ATOM 0 H ARG A 43 3.475 2.413 0.727 1.00 0.00 H new ATOM 0 HA ARG A 43 6.331 3.167 1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 43 4.007 3.805 -0.530 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.685 5.266 0.159 1.00 0.00 H new ATOM 0 HG2 ARG A 43 6.184 5.122 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 43 7.000 3.958 -0.560 1.00 0.00 H new ATOM 0 HD2 ARG A 43 4.977 2.415 -1.790 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.502 3.486 -3.074 1.00 0.00 H new ATOM 0 HE ARG A 43 7.127 1.354 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 43 7.236 4.619 -3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 43 8.931 4.485 -3.663 1.00 0.00 H new ATOM 0 HH21 ARG A 43 9.281 1.216 -2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 43 10.071 2.584 -3.270 1.00 0.00 H new ATOM 620 N LYS A 44 4.024 5.131 2.415 1.00 0.00 N ATOM 621 CA LYS A 44 3.751 6.002 3.596 1.00 0.00 C ATOM 622 C LYS A 44 3.689 5.161 4.873 1.00 0.00 C ATOM 623 O LYS A 44 4.246 5.520 5.892 1.00 0.00 O ATOM 624 CB LYS A 44 2.392 6.643 3.312 1.00 0.00 C ATOM 625 CG LYS A 44 2.283 7.964 4.075 1.00 0.00 C ATOM 626 CD LYS A 44 2.869 9.094 3.225 1.00 0.00 C ATOM 627 CE LYS A 44 3.356 10.219 4.140 1.00 0.00 C ATOM 628 NZ LYS A 44 2.192 11.143 4.261 1.00 0.00 N ATOM 0 H LYS A 44 3.363 5.224 1.644 1.00 0.00 H new ATOM 0 HA LYS A 44 4.531 6.748 3.745 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.277 6.818 2.242 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.590 5.969 3.613 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.240 8.175 4.311 1.00 0.00 H new ATOM 0 HG3 LYS A 44 2.816 7.894 5.023 1.00 0.00 H new ATOM 0 HD2 LYS A 44 3.695 8.719 2.621 1.00 0.00 H new ATOM 0 HD3 LYS A 44 2.115 9.473 2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.658 9.834 5.114 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.222 10.727 3.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.446 11.943 4.875 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 1.931 11.498 3.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 1.385 10.633 4.674 1.00 0.00 H new ATOM 642 N ALA A 45 3.017 4.044 4.829 1.00 0.00 N ATOM 643 CA ALA A 45 2.921 3.182 6.042 1.00 0.00 C ATOM 644 C ALA A 45 3.763 1.915 5.861 1.00 0.00 C ATOM 645 O ALA A 45 3.295 0.915 5.354 1.00 0.00 O ATOM 646 CB ALA A 45 1.438 2.829 6.159 1.00 0.00 C ATOM 0 H ALA A 45 2.530 3.690 4.006 1.00 0.00 H new ATOM 0 HA ALA A 45 3.293 3.683 6.935 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.283 2.194 7.031 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.854 3.743 6.267 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.118 2.299 5.262 1.00 0.00 H new ATOM 652 N MET A 46 5.000 1.950 6.274 1.00 0.00 N ATOM 653 CA MET A 46 5.869 0.748 6.126 1.00 0.00 C ATOM 654 C MET A 46 6.624 0.478 7.431 1.00 0.00 C ATOM 655 O MET A 46 6.768 -0.652 7.853 1.00 0.00 O ATOM 656 CB MET A 46 6.847 1.102 5.005 1.00 0.00 C ATOM 657 CG MET A 46 7.236 -0.169 4.247 1.00 0.00 C ATOM 658 SD MET A 46 8.279 -1.205 5.302 1.00 0.00 S ATOM 659 CE MET A 46 7.371 -2.752 5.070 1.00 0.00 C ATOM 0 H MET A 46 5.447 2.758 6.707 1.00 0.00 H new ATOM 0 HA MET A 46 5.296 -0.151 5.898 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.391 1.820 4.323 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.736 1.577 5.420 1.00 0.00 H new ATOM 0 HG2 MET A 46 6.341 -0.717 3.951 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.769 0.089 3.332 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.851 -3.545 5.644 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.344 -2.626 5.413 1.00 0.00 H new ATOM 0 HE3 MET A 46 7.370 -3.019 4.013 1.00 0.00 H new ATOM 669 N LEU A 47 7.106 1.507 8.072 1.00 0.00 N ATOM 670 CA LEU A 47 7.851 1.309 9.348 1.00 0.00 C ATOM 671 C LEU A 47 6.948 1.632 10.542 1.00 0.00 C ATOM 672 O LEU A 47 7.402 2.102 11.566 1.00 0.00 O ATOM 673 CB LEU A 47 9.021 2.289 9.280 1.00 0.00 C ATOM 674 CG LEU A 47 10.337 1.523 9.430 1.00 0.00 C ATOM 675 CD1 LEU A 47 11.343 2.029 8.393 1.00 0.00 C ATOM 676 CD2 LEU A 47 10.899 1.745 10.836 1.00 0.00 C ATOM 0 H LEU A 47 7.016 2.476 7.768 1.00 0.00 H new ATOM 0 HA LEU A 47 8.189 0.280 9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 47 9.006 2.825 8.331 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.930 3.036 10.069 1.00 0.00 H new ATOM 0 HG LEU A 47 10.158 0.459 9.274 1.00 0.00 H new ATOM 0 HD11 LEU A 47 12.281 1.484 8.499 1.00 0.00 H new ATOM 0 HD12 LEU A 47 10.943 1.871 7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 47 11.522 3.093 8.549 1.00 0.00 H new ATOM 0 HD21 LEU A 47 11.837 1.199 10.943 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.078 2.809 10.992 1.00 0.00 H new ATOM 0 HD23 LEU A 47 10.183 1.385 11.575 1.00 0.00 H new ATOM 688 N SER A 48 5.672 1.385 10.418 1.00 0.00 N ATOM 689 CA SER A 48 4.742 1.679 11.546 1.00 0.00 C ATOM 690 C SER A 48 4.907 3.130 12.004 1.00 0.00 C ATOM 691 O SER A 48 5.397 3.399 13.083 1.00 0.00 O ATOM 692 CB SER A 48 5.151 0.714 12.659 1.00 0.00 C ATOM 693 OG SER A 48 4.708 1.219 13.910 1.00 0.00 O ATOM 0 H SER A 48 5.233 0.993 9.585 1.00 0.00 H new ATOM 0 HA SER A 48 3.697 1.554 11.263 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.719 -0.270 12.478 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.234 0.590 12.668 1.00 0.00 H new ATOM 0 HG SER A 48 5.147 2.076 14.091 1.00 0.00 H new ATOM 699 N GLN A 49 4.502 4.068 11.192 1.00 0.00 N ATOM 700 CA GLN A 49 4.637 5.501 11.582 1.00 0.00 C ATOM 701 C GLN A 49 3.319 6.017 12.166 1.00 0.00 C ATOM 702 O GLN A 49 2.266 5.454 11.941 1.00 0.00 O ATOM 703 CB GLN A 49 4.972 6.235 10.283 1.00 0.00 C ATOM 704 CG GLN A 49 6.091 7.246 10.543 1.00 0.00 C ATOM 705 CD GLN A 49 6.277 8.129 9.308 1.00 0.00 C ATOM 706 OE1 GLN A 49 7.367 8.231 8.779 1.00 0.00 O ATOM 707 NE2 GLN A 49 5.253 8.775 8.823 1.00 0.00 N ATOM 0 H GLN A 49 4.084 3.905 10.276 1.00 0.00 H new ATOM 0 HA GLN A 49 5.402 5.651 12.344 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.282 5.522 9.519 1.00 0.00 H new ATOM 0 HB3 GLN A 49 4.087 6.745 9.902 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.846 7.861 11.409 1.00 0.00 H new ATOM 0 HG3 GLN A 49 7.020 6.725 10.774 1.00 0.00 H new ATOM 0 HE21 GLN A 49 4.339 8.689 9.267 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.366 9.366 8.000 1.00 0.00 H new ATOM 716 N MET A 50 3.368 7.085 12.915 1.00 0.00 N ATOM 717 CA MET A 50 2.118 7.635 13.512 1.00 0.00 C ATOM 718 C MET A 50 1.514 8.696 12.589 1.00 0.00 C ATOM 719 O MET A 50 0.512 8.403 11.957 1.00 0.00 O ATOM 720 CB MET A 50 2.554 8.261 14.837 1.00 0.00 C ATOM 721 CG MET A 50 3.058 7.165 15.778 1.00 0.00 C ATOM 722 SD MET A 50 3.046 7.780 17.480 1.00 0.00 S ATOM 723 CE MET A 50 1.353 7.286 17.887 1.00 0.00 C ATOM 724 OXT MET A 50 2.062 9.784 12.530 1.00 0.00 O ATOM 0 H MET A 50 4.219 7.600 13.139 1.00 0.00 H new ATOM 0 HA MET A 50 1.356 6.869 13.655 1.00 0.00 H new ATOM 0 HB2 MET A 50 3.340 8.996 14.663 1.00 0.00 H new ATOM 0 HB3 MET A 50 1.718 8.791 15.294 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.426 6.281 15.695 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.067 6.864 15.496 1.00 0.00 H new ATOM 0 HE1 MET A 50 1.127 7.574 18.914 1.00 0.00 H new ATOM 0 HE2 MET A 50 0.657 7.781 17.210 1.00 0.00 H new ATOM 0 HE3 MET A 50 1.254 6.205 17.783 1.00 0.00 H new TER 734 MET A 50 ATOM 735 N GLY P 51 -16.969 -2.000 10.797 1.00 0.00 N ATOM 736 CA GLY P 51 -15.645 -2.131 10.123 1.00 0.00 C ATOM 737 C GLY P 51 -15.663 -3.345 9.194 1.00 0.00 C ATOM 738 O GLY P 51 -16.629 -4.081 9.136 1.00 0.00 O ATOM 0 HA2 GLY P 51 -15.424 -1.228 9.554 1.00 0.00 H new ATOM 0 HA3 GLY P 51 -14.856 -2.241 10.867 1.00 0.00 H new ATOM 744 N THR P 52 -14.603 -3.563 8.465 1.00 0.00 N ATOM 745 CA THR P 52 -14.560 -4.731 7.539 1.00 0.00 C ATOM 746 C THR P 52 -13.105 -5.109 7.229 1.00 0.00 C ATOM 747 O THR P 52 -12.242 -4.254 7.191 1.00 0.00 O ATOM 748 CB THR P 52 -15.273 -4.259 6.272 1.00 0.00 C ATOM 749 OG1 THR P 52 -15.292 -5.314 5.321 1.00 0.00 O ATOM 750 CG2 THR P 52 -14.534 -3.054 5.687 1.00 0.00 C ATOM 0 H THR P 52 -13.764 -2.983 8.470 1.00 0.00 H new ATOM 0 HA THR P 52 -15.033 -5.615 7.967 1.00 0.00 H new ATOM 0 HB THR P 52 -16.296 -3.971 6.516 1.00 0.00 H new ATOM 0 HG1 THR P 52 -15.750 -5.014 4.508 1.00 0.00 H new ATOM 0 HG21 THR P 52 -15.043 -2.718 4.784 1.00 0.00 H new ATOM 0 HG22 THR P 52 -14.521 -2.245 6.418 1.00 0.00 H new ATOM 0 HG23 THR P 52 -13.511 -3.339 5.442 1.00 0.00 H new ATOM 758 N PRO P 53 -12.877 -6.383 7.016 1.00 0.00 N ATOM 759 CA PRO P 53 -11.507 -6.863 6.707 1.00 0.00 C ATOM 760 C PRO P 53 -11.102 -6.449 5.287 1.00 0.00 C ATOM 761 O PRO P 53 -11.915 -5.947 4.536 1.00 0.00 O ATOM 762 CB PRO P 53 -11.623 -8.381 6.818 1.00 0.00 C ATOM 763 CG PRO P 53 -13.068 -8.677 6.564 1.00 0.00 C ATOM 764 CD PRO P 53 -13.854 -7.483 7.041 1.00 0.00 C ATOM 0 HA PRO P 53 -10.749 -6.449 7.372 1.00 0.00 H new ATOM 0 HB2 PRO P 53 -10.984 -8.880 6.090 1.00 0.00 H new ATOM 0 HB3 PRO P 53 -11.316 -8.730 7.804 1.00 0.00 H new ATOM 0 HG2 PRO P 53 -13.244 -8.856 5.503 1.00 0.00 H new ATOM 0 HG3 PRO P 53 -13.376 -9.578 7.094 1.00 0.00 H new ATOM 0 HD2 PRO P 53 -14.703 -7.278 6.390 1.00 0.00 H new ATOM 0 HD3 PRO P 53 -14.252 -7.641 8.043 1.00 0.00 H new ATOM 772 N PRO P 54 -9.851 -6.670 4.960 1.00 0.00 N ATOM 773 CA PRO P 54 -9.345 -6.310 3.610 1.00 0.00 C ATOM 774 C PRO P 54 -9.977 -7.199 2.530 1.00 0.00 C ATOM 775 O PRO P 54 -10.566 -8.217 2.833 1.00 0.00 O ATOM 776 CB PRO P 54 -7.840 -6.556 3.713 1.00 0.00 C ATOM 777 CG PRO P 54 -7.696 -7.557 4.814 1.00 0.00 C ATOM 778 CD PRO P 54 -8.799 -7.269 5.795 1.00 0.00 C ATOM 0 HA PRO P 54 -9.587 -5.286 3.326 1.00 0.00 H new ATOM 0 HB2 PRO P 54 -7.436 -6.937 2.775 1.00 0.00 H new ATOM 0 HB3 PRO P 54 -7.303 -5.636 3.941 1.00 0.00 H new ATOM 0 HG2 PRO P 54 -7.775 -8.573 4.428 1.00 0.00 H new ATOM 0 HG3 PRO P 54 -6.720 -7.472 5.291 1.00 0.00 H new ATOM 0 HD2 PRO P 54 -9.146 -8.177 6.288 1.00 0.00 H new ATOM 0 HD3 PRO P 54 -8.471 -6.586 6.579 1.00 0.00 H new ATOM 786 N PRO P 55 -9.832 -6.777 1.295 1.00 0.00 N ATOM 787 CA PRO P 55 -10.399 -7.543 0.153 1.00 0.00 C ATOM 788 C PRO P 55 -9.604 -8.833 -0.071 1.00 0.00 C ATOM 789 O PRO P 55 -8.590 -9.048 0.563 1.00 0.00 O ATOM 790 CB PRO P 55 -10.219 -6.594 -1.033 1.00 0.00 C ATOM 791 CG PRO P 55 -9.078 -5.712 -0.649 1.00 0.00 C ATOM 792 CD PRO P 55 -9.134 -5.562 0.847 1.00 0.00 C ATOM 0 HA PRO P 55 -11.436 -7.842 0.310 1.00 0.00 H new ATOM 0 HB2 PRO P 55 -10.003 -7.143 -1.949 1.00 0.00 H new ATOM 0 HB3 PRO P 55 -11.123 -6.013 -1.215 1.00 0.00 H new ATOM 0 HG2 PRO P 55 -8.129 -6.149 -0.959 1.00 0.00 H new ATOM 0 HG3 PRO P 55 -9.157 -4.741 -1.139 1.00 0.00 H new ATOM 0 HD2 PRO P 55 -8.136 -5.491 1.280 1.00 0.00 H new ATOM 0 HD3 PRO P 55 -9.673 -4.660 1.139 1.00 0.00 H new ATOM 800 N PRO P 56 -10.074 -9.647 -0.986 1.00 0.00 N ATOM 801 CA PRO P 56 -9.366 -10.912 -1.297 1.00 0.00 C ATOM 802 C PRO P 56 -8.031 -10.590 -1.968 1.00 0.00 C ATOM 803 O PRO P 56 -7.673 -9.439 -2.120 1.00 0.00 O ATOM 804 CB PRO P 56 -10.316 -11.633 -2.252 1.00 0.00 C ATOM 805 CG PRO P 56 -11.137 -10.544 -2.862 1.00 0.00 C ATOM 806 CD PRO P 56 -11.283 -9.479 -1.809 1.00 0.00 C ATOM 0 HA PRO P 56 -9.135 -11.519 -0.422 1.00 0.00 H new ATOM 0 HB2 PRO P 56 -9.767 -12.189 -3.012 1.00 0.00 H new ATOM 0 HB3 PRO P 56 -10.941 -12.351 -1.722 1.00 0.00 H new ATOM 0 HG2 PRO P 56 -10.652 -10.145 -3.753 1.00 0.00 H new ATOM 0 HG3 PRO P 56 -12.112 -10.920 -3.171 1.00 0.00 H new ATOM 0 HD2 PRO P 56 -11.335 -8.483 -2.249 1.00 0.00 H new ATOM 0 HD3 PRO P 56 -12.191 -9.616 -1.222 1.00 0.00 H new ATOM 814 N TYR P 57 -7.282 -11.583 -2.362 1.00 0.00 N ATOM 815 CA TYR P 57 -5.972 -11.293 -3.007 1.00 0.00 C ATOM 816 C TYR P 57 -5.815 -12.067 -4.326 1.00 0.00 C ATOM 817 O TYR P 57 -6.252 -11.622 -5.368 1.00 0.00 O ATOM 818 CB TYR P 57 -4.922 -11.718 -1.976 1.00 0.00 C ATOM 819 CG TYR P 57 -3.550 -11.588 -2.585 1.00 0.00 C ATOM 820 CD1 TYR P 57 -3.136 -10.362 -3.120 1.00 0.00 C ATOM 821 CD2 TYR P 57 -2.696 -12.693 -2.625 1.00 0.00 C ATOM 822 CE1 TYR P 57 -1.866 -10.242 -3.692 1.00 0.00 C ATOM 823 CE2 TYR P 57 -1.428 -12.574 -3.197 1.00 0.00 C ATOM 824 CZ TYR P 57 -1.011 -11.350 -3.730 1.00 0.00 C ATOM 825 OH TYR P 57 0.243 -11.237 -4.288 1.00 0.00 O ATOM 0 H TYR P 57 -7.517 -12.571 -2.267 1.00 0.00 H new ATOM 0 HA TYR P 57 -5.872 -10.241 -3.275 1.00 0.00 H new ATOM 0 HB2 TYR P 57 -4.998 -11.096 -1.084 1.00 0.00 H new ATOM 0 HB3 TYR P 57 -5.098 -12.747 -1.663 1.00 0.00 H new ATOM 0 HD1 TYR P 57 -3.798 -9.509 -3.091 1.00 0.00 H new ATOM 0 HD2 TYR P 57 -3.017 -13.639 -2.214 1.00 0.00 H new ATOM 0 HE1 TYR P 57 -1.545 -9.297 -4.104 1.00 0.00 H new ATOM 0 HE2 TYR P 57 -0.768 -13.428 -3.228 1.00 0.00 H new ATOM 0 HH TYR P 57 0.249 -10.497 -4.931 1.00 0.00 H new ATOM 835 N THR P 58 -5.179 -13.210 -4.298 1.00 0.00 N ATOM 836 CA THR P 58 -4.982 -13.986 -5.555 1.00 0.00 C ATOM 837 C THR P 58 -4.261 -13.121 -6.592 1.00 0.00 C ATOM 838 O THR P 58 -4.064 -11.938 -6.399 1.00 0.00 O ATOM 839 CB THR P 58 -6.384 -14.348 -6.041 1.00 0.00 C ATOM 840 OG1 THR P 58 -7.122 -14.924 -4.972 1.00 0.00 O ATOM 841 CG2 THR P 58 -6.274 -15.348 -7.189 1.00 0.00 C ATOM 0 H THR P 58 -4.788 -13.638 -3.458 1.00 0.00 H new ATOM 0 HA THR P 58 -4.374 -14.877 -5.395 1.00 0.00 H new ATOM 0 HB THR P 58 -6.897 -13.451 -6.388 1.00 0.00 H new ATOM 0 HG1 THR P 58 -8.022 -15.155 -5.283 1.00 0.00 H new ATOM 0 HG21 THR P 58 -7.272 -15.610 -7.540 1.00 0.00 H new ATOM 0 HG22 THR P 58 -5.707 -14.903 -8.007 1.00 0.00 H new ATOM 0 HG23 THR P 58 -5.764 -16.246 -6.841 1.00 0.00 H new ATOM 849 N VAL P 59 -3.863 -13.700 -7.691 1.00 0.00 N ATOM 850 CA VAL P 59 -3.154 -12.908 -8.737 1.00 0.00 C ATOM 851 C VAL P 59 -4.013 -12.809 -10.000 1.00 0.00 C ATOM 852 O VAL P 59 -3.573 -13.123 -11.088 1.00 0.00 O ATOM 853 CB VAL P 59 -1.870 -13.688 -9.021 1.00 0.00 C ATOM 854 CG1 VAL P 59 -2.225 -15.084 -9.539 1.00 0.00 C ATOM 855 CG2 VAL P 59 -1.046 -12.948 -10.076 1.00 0.00 C ATOM 0 H VAL P 59 -3.998 -14.687 -7.911 1.00 0.00 H new ATOM 0 HA VAL P 59 -2.948 -11.888 -8.414 1.00 0.00 H new ATOM 0 HB VAL P 59 -1.289 -13.777 -8.103 1.00 0.00 H new ATOM 0 HG11 VAL P 59 -1.310 -15.640 -9.742 1.00 0.00 H new ATOM 0 HG12 VAL P 59 -2.812 -15.612 -8.788 1.00 0.00 H new ATOM 0 HG13 VAL P 59 -2.806 -14.995 -10.457 1.00 0.00 H new ATOM 0 HG21 VAL P 59 -0.131 -13.504 -10.279 1.00 0.00 H new ATOM 0 HG22 VAL P 59 -1.627 -12.858 -10.994 1.00 0.00 H new ATOM 0 HG23 VAL P 59 -0.793 -11.954 -9.708 1.00 0.00 H new ATOM 865 N GLY P 60 -5.236 -12.374 -9.865 1.00 0.00 N ATOM 866 CA GLY P 60 -6.122 -12.257 -11.057 1.00 0.00 C ATOM 867 C GLY P 60 -6.001 -10.849 -11.644 1.00 0.00 C ATOM 868 O GLY P 60 -6.114 -9.899 -10.885 1.00 0.00 O ATOM 869 OXT GLY P 60 -5.797 -10.743 -12.842 1.00 0.00 O ATOM 0 H GLY P 60 -5.660 -12.095 -8.980 1.00 0.00 H new ATOM 0 HA2 GLY P 60 -5.844 -13.000 -11.805 1.00 0.00 H new ATOM 0 HA3 GLY P 60 -7.156 -12.458 -10.777 1.00 0.00 H new TER 873 GLY P 60