USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=16 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= -2.4! C(o=-4!,f=-13!) USER MOD Set 1.2: P 57 TYR OH : rot 79:sc= -1.63! USER MOD Set 2.1: A 28 TYR OH : rot 15:sc= 0.51 USER MOD Set 2.2: A 30 LYS NZ :NH3+ -138:sc= 0.878 (180deg=-0.465) USER MOD Single : A 19 MET CE :methyl 173:sc= -5.41! (180deg=-5.71!) USER MOD Single : A 21 LYS NZ :NH3+ -129:sc= -0.0331 (180deg=-0.312) USER MOD Single : A 22 THR OG1 : rot -61:sc= 0.613 USER MOD Single : A 23 SER OG : rot 180:sc= -0.0603 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.461 X(o=-0.46,f=-0.41!) USER MOD Single : A 31 ASN : amide:sc= -16.4! C(o=-16!,f=-22!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.41 USER MOD Single : A 37 THR OG1 : rot -160:sc= -0.451 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.0145 K(o=-0.015,f=-1.5!) USER MOD Single : A 44 LYS NZ :NH3+ 168:sc= 1.07 (180deg=0.953) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,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= 0.0388 USER MOD Single : P 58 THR OG1 : rot 180:sc= 0.447! USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 5 -4.165 12.878 4.524 1.00 0.00 N ATOM 2 CA PHE A 5 -3.093 11.848 4.401 1.00 0.00 C ATOM 3 C PHE A 5 -2.421 11.946 3.029 1.00 0.00 C ATOM 4 O PHE A 5 -3.076 12.054 2.012 1.00 0.00 O ATOM 5 CB PHE A 5 -3.813 10.507 4.551 1.00 0.00 C ATOM 6 CG PHE A 5 -2.902 9.521 5.241 1.00 0.00 C ATOM 7 CD1 PHE A 5 -2.266 9.874 6.437 1.00 0.00 C ATOM 8 CD2 PHE A 5 -2.693 8.253 4.684 1.00 0.00 C ATOM 9 CE1 PHE A 5 -1.421 8.959 7.077 1.00 0.00 C ATOM 10 CE2 PHE A 5 -1.848 7.339 5.325 1.00 0.00 C ATOM 11 CZ PHE A 5 -1.213 7.692 6.521 1.00 0.00 C ATOM 0 HA PHE A 5 -2.310 11.976 5.148 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -4.729 10.637 5.127 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -4.103 10.126 3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.427 10.852 6.866 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -3.183 7.981 3.761 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.930 9.231 8.000 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.686 6.361 4.896 1.00 0.00 H new ATOM 0 HZ PHE A 5 -0.562 6.986 7.015 1.00 0.00 H new ATOM 21 N GLU A 6 -1.116 11.909 2.994 1.00 0.00 N ATOM 22 CA GLU A 6 -0.403 12.000 1.688 1.00 0.00 C ATOM 23 C GLU A 6 0.419 10.731 1.445 1.00 0.00 C ATOM 24 O GLU A 6 1.634 10.761 1.423 1.00 0.00 O ATOM 25 CB GLU A 6 0.514 13.216 1.821 1.00 0.00 C ATOM 26 CG GLU A 6 1.471 13.008 2.997 1.00 0.00 C ATOM 27 CD GLU A 6 2.873 13.479 2.604 1.00 0.00 C ATOM 28 OE1 GLU A 6 2.966 14.447 1.868 1.00 0.00 O ATOM 29 OE2 GLU A 6 3.829 12.863 3.045 1.00 0.00 O ATOM 0 H GLU A 6 -0.514 11.820 3.812 1.00 0.00 H new ATOM 0 HA GLU A 6 -1.091 12.099 0.848 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.079 13.361 0.900 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -0.079 14.117 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.120 13.562 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 6 1.495 11.955 3.278 1.00 0.00 H new ATOM 36 N ILE A 7 -0.233 9.616 1.262 1.00 0.00 N ATOM 37 CA ILE A 7 0.512 8.347 1.021 1.00 0.00 C ATOM 38 C ILE A 7 1.478 8.531 -0.170 1.00 0.00 C ATOM 39 O ILE A 7 2.678 8.461 0.004 1.00 0.00 O ATOM 40 CB ILE A 7 -0.596 7.299 0.766 1.00 0.00 C ATOM 41 CG1 ILE A 7 -1.062 6.743 2.109 1.00 0.00 C ATOM 42 CG2 ILE A 7 -0.092 6.138 -0.114 1.00 0.00 C ATOM 43 CD1 ILE A 7 0.106 6.048 2.799 1.00 0.00 C ATOM 0 H ILE A 7 -1.249 9.528 1.269 1.00 0.00 H new ATOM 0 HA ILE A 7 1.145 8.034 1.851 1.00 0.00 H new ATOM 0 HB ILE A 7 -1.416 7.787 0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -1.443 7.549 2.737 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -1.882 6.040 1.960 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.900 5.423 -0.270 1.00 0.00 H new ATOM 0 HG22 ILE A 7 0.239 6.528 -1.077 1.00 0.00 H new ATOM 0 HG23 ILE A 7 0.742 5.641 0.382 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -0.223 5.650 3.759 1.00 0.00 H new ATOM 0 HD12 ILE A 7 0.466 5.232 2.172 1.00 0.00 H new ATOM 0 HD13 ILE A 7 0.912 6.764 2.961 1.00 0.00 H new ATOM 55 N PRO A 8 0.932 8.777 -1.337 1.00 0.00 N ATOM 56 CA PRO A 8 1.782 8.985 -2.537 1.00 0.00 C ATOM 57 C PRO A 8 2.473 10.353 -2.461 1.00 0.00 C ATOM 58 O PRO A 8 2.603 10.931 -1.400 1.00 0.00 O ATOM 59 CB PRO A 8 0.786 8.931 -3.694 1.00 0.00 C ATOM 60 CG PRO A 8 -0.528 9.313 -3.091 1.00 0.00 C ATOM 61 CD PRO A 8 -0.497 8.875 -1.652 1.00 0.00 C ATOM 0 HA PRO A 8 2.579 8.248 -2.640 1.00 0.00 H new ATOM 0 HB2 PRO A 8 1.069 9.618 -4.491 1.00 0.00 H new ATOM 0 HB3 PRO A 8 0.744 7.934 -4.133 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -0.687 10.389 -3.163 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -1.350 8.833 -3.622 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -0.999 9.595 -1.006 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -1.001 7.918 -1.516 1.00 0.00 H new ATOM 69 N ASP A 9 2.921 10.877 -3.575 1.00 0.00 N ATOM 70 CA ASP A 9 3.607 12.208 -3.566 1.00 0.00 C ATOM 71 C ASP A 9 4.879 12.143 -2.715 1.00 0.00 C ATOM 72 O ASP A 9 5.256 13.099 -2.067 1.00 0.00 O ATOM 73 CB ASP A 9 2.601 13.191 -2.958 1.00 0.00 C ATOM 74 CG ASP A 9 2.372 14.352 -3.929 1.00 0.00 C ATOM 75 OD1 ASP A 9 3.219 15.228 -3.984 1.00 0.00 O ATOM 76 OD2 ASP A 9 1.352 14.345 -4.599 1.00 0.00 O ATOM 0 H ASP A 9 2.841 10.440 -4.493 1.00 0.00 H new ATOM 0 HA ASP A 9 3.908 12.515 -4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.659 12.683 -2.753 1.00 0.00 H new ATOM 0 HB3 ASP A 9 2.974 13.568 -2.006 1.00 0.00 H new ATOM 81 N ASP A 10 5.545 11.022 -2.722 1.00 0.00 N ATOM 82 CA ASP A 10 6.798 10.887 -1.924 1.00 0.00 C ATOM 83 C ASP A 10 7.535 9.609 -2.337 1.00 0.00 C ATOM 84 O ASP A 10 8.403 9.633 -3.186 1.00 0.00 O ATOM 85 CB ASP A 10 6.337 10.809 -0.467 1.00 0.00 C ATOM 86 CG ASP A 10 6.443 12.193 0.177 1.00 0.00 C ATOM 87 OD1 ASP A 10 7.517 12.771 0.117 1.00 0.00 O ATOM 88 OD2 ASP A 10 5.451 12.651 0.718 1.00 0.00 O ATOM 0 H ASP A 10 5.275 10.190 -3.247 1.00 0.00 H new ATOM 0 HA ASP A 10 7.488 11.717 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 10 5.308 10.452 -0.419 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.949 10.093 0.081 1.00 0.00 H new ATOM 93 N VAL A 11 7.193 8.491 -1.755 1.00 0.00 N ATOM 94 CA VAL A 11 7.868 7.222 -2.131 1.00 0.00 C ATOM 95 C VAL A 11 6.962 6.413 -3.067 1.00 0.00 C ATOM 96 O VAL A 11 5.770 6.332 -2.849 1.00 0.00 O ATOM 97 CB VAL A 11 8.081 6.475 -0.813 1.00 0.00 C ATOM 98 CG1 VAL A 11 9.069 7.252 0.060 1.00 0.00 C ATOM 99 CG2 VAL A 11 6.753 6.323 -0.070 1.00 0.00 C ATOM 0 H VAL A 11 6.475 8.405 -1.036 1.00 0.00 H new ATOM 0 HA VAL A 11 8.809 7.390 -2.655 1.00 0.00 H new ATOM 0 HB VAL A 11 8.481 5.484 -1.028 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.221 6.720 0.999 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.021 7.345 -0.463 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.670 8.245 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 11 6.919 5.790 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 11 6.340 7.309 0.142 1.00 0.00 H new ATOM 0 HG23 VAL A 11 6.052 5.762 -0.688 1.00 0.00 H new ATOM 109 N PRO A 12 7.550 5.835 -4.085 1.00 0.00 N ATOM 110 CA PRO A 12 6.758 5.033 -5.047 1.00 0.00 C ATOM 111 C PRO A 12 6.332 3.712 -4.405 1.00 0.00 C ATOM 112 O PRO A 12 6.540 3.485 -3.230 1.00 0.00 O ATOM 113 CB PRO A 12 7.728 4.789 -6.199 1.00 0.00 C ATOM 114 CG PRO A 12 9.088 4.897 -5.586 1.00 0.00 C ATOM 115 CD PRO A 12 8.978 5.868 -4.439 1.00 0.00 C ATOM 0 HA PRO A 12 5.842 5.529 -5.369 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.573 3.807 -6.645 1.00 0.00 H new ATOM 0 HB3 PRO A 12 7.593 5.524 -6.992 1.00 0.00 H new ATOM 0 HG2 PRO A 12 9.432 3.924 -5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.815 5.247 -6.319 1.00 0.00 H new ATOM 0 HD2 PRO A 12 9.605 5.568 -3.599 1.00 0.00 H new ATOM 0 HD3 PRO A 12 9.294 6.869 -4.731 1.00 0.00 H new ATOM 123 N LEU A 13 5.743 2.838 -5.168 1.00 0.00 N ATOM 124 CA LEU A 13 5.309 1.529 -4.606 1.00 0.00 C ATOM 125 C LEU A 13 6.485 0.543 -4.644 1.00 0.00 C ATOM 126 O LEU A 13 7.261 0.554 -5.580 1.00 0.00 O ATOM 127 CB LEU A 13 4.172 1.077 -5.528 1.00 0.00 C ATOM 128 CG LEU A 13 3.364 -0.052 -4.878 1.00 0.00 C ATOM 129 CD1 LEU A 13 2.778 0.408 -3.541 1.00 0.00 C ATOM 130 CD2 LEU A 13 2.215 -0.440 -5.810 1.00 0.00 C ATOM 0 H LEU A 13 5.542 2.973 -6.159 1.00 0.00 H new ATOM 0 HA LEU A 13 4.983 1.589 -3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 13 3.517 1.920 -5.746 1.00 0.00 H new ATOM 0 HB3 LEU A 13 4.582 0.737 -6.479 1.00 0.00 H new ATOM 0 HG LEU A 13 4.023 -0.903 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.208 -0.406 -3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 13 3.587 0.696 -2.869 1.00 0.00 H new ATOM 0 HD13 LEU A 13 2.122 1.262 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.634 -1.243 -5.356 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.572 0.425 -5.975 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.619 -0.779 -6.764 1.00 0.00 H new ATOM 142 N PRO A 14 6.599 -0.271 -3.622 1.00 0.00 N ATOM 143 CA PRO A 14 7.711 -1.244 -3.557 1.00 0.00 C ATOM 144 C PRO A 14 7.391 -2.505 -4.365 1.00 0.00 C ATOM 145 O PRO A 14 6.271 -2.724 -4.779 1.00 0.00 O ATOM 146 CB PRO A 14 7.831 -1.546 -2.068 1.00 0.00 C ATOM 147 CG PRO A 14 6.485 -1.244 -1.477 1.00 0.00 C ATOM 148 CD PRO A 14 5.720 -0.368 -2.447 1.00 0.00 C ATOM 0 HA PRO A 14 8.638 -0.862 -3.983 1.00 0.00 H new ATOM 0 HB2 PRO A 14 8.106 -2.588 -1.902 1.00 0.00 H new ATOM 0 HB3 PRO A 14 8.606 -0.934 -1.607 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.938 -2.168 -1.289 1.00 0.00 H new ATOM 0 HG3 PRO A 14 6.597 -0.739 -0.518 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.757 -0.808 -2.706 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.517 0.614 -2.020 1.00 0.00 H new ATOM 156 N ALA A 15 8.376 -3.332 -4.599 1.00 0.00 N ATOM 157 CA ALA A 15 8.141 -4.578 -5.386 1.00 0.00 C ATOM 158 C ALA A 15 7.268 -5.546 -4.586 1.00 0.00 C ATOM 159 O ALA A 15 7.239 -5.509 -3.371 1.00 0.00 O ATOM 160 CB ALA A 15 9.530 -5.172 -5.614 1.00 0.00 C ATOM 0 H ALA A 15 9.335 -3.198 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 15 7.624 -4.383 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.442 -6.094 -6.188 1.00 0.00 H new ATOM 0 HB2 ALA A 15 10.145 -4.460 -6.164 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.996 -5.387 -4.652 1.00 0.00 H new ATOM 166 N GLY A 16 6.546 -6.405 -5.253 1.00 0.00 N ATOM 167 CA GLY A 16 5.672 -7.359 -4.527 1.00 0.00 C ATOM 168 C GLY A 16 4.705 -6.572 -3.653 1.00 0.00 C ATOM 169 O GLY A 16 4.244 -7.044 -2.634 1.00 0.00 O ATOM 0 H GLY A 16 6.526 -6.484 -6.270 1.00 0.00 H new ATOM 0 HA2 GLY A 16 5.122 -7.980 -5.234 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.273 -8.030 -3.914 1.00 0.00 H new ATOM 173 N TRP A 17 4.400 -5.371 -4.044 1.00 0.00 N ATOM 174 CA TRP A 17 3.470 -4.543 -3.239 1.00 0.00 C ATOM 175 C TRP A 17 2.553 -3.746 -4.160 1.00 0.00 C ATOM 176 O TRP A 17 2.618 -2.536 -4.222 1.00 0.00 O ATOM 177 CB TRP A 17 4.376 -3.614 -2.442 1.00 0.00 C ATOM 178 CG TRP A 17 4.681 -4.233 -1.121 1.00 0.00 C ATOM 179 CD1 TRP A 17 5.917 -4.559 -0.680 1.00 0.00 C ATOM 180 CD2 TRP A 17 3.756 -4.606 -0.068 1.00 0.00 C ATOM 181 NE1 TRP A 17 5.806 -5.097 0.592 1.00 0.00 N ATOM 182 CE2 TRP A 17 4.490 -5.147 1.012 1.00 0.00 C ATOM 183 CE3 TRP A 17 2.362 -4.520 0.051 1.00 0.00 C ATOM 184 CZ2 TRP A 17 3.856 -5.589 2.175 1.00 0.00 C ATOM 185 CZ3 TRP A 17 1.718 -4.963 1.215 1.00 0.00 C ATOM 186 CH2 TRP A 17 2.463 -5.496 2.277 1.00 0.00 C ATOM 0 H TRP A 17 4.756 -4.926 -4.890 1.00 0.00 H new ATOM 0 HA TRP A 17 2.826 -5.139 -2.592 1.00 0.00 H new ATOM 0 HB2 TRP A 17 5.299 -3.429 -2.991 1.00 0.00 H new ATOM 0 HB3 TRP A 17 3.891 -2.648 -2.300 1.00 0.00 H new ATOM 0 HD1 TRP A 17 6.838 -4.423 -1.228 1.00 0.00 H new ATOM 0 HE1 TRP A 17 6.598 -5.417 1.150 1.00 0.00 H new ATOM 0 HE3 TRP A 17 1.779 -4.109 -0.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.435 -5.999 2.989 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 0.643 -4.893 1.294 1.00 0.00 H new ATOM 0 HH2 TRP A 17 1.963 -5.834 3.172 1.00 0.00 H new ATOM 197 N GLU A 18 1.692 -4.418 -4.863 1.00 0.00 N ATOM 198 CA GLU A 18 0.754 -3.707 -5.774 1.00 0.00 C ATOM 199 C GLU A 18 -0.362 -3.081 -4.965 1.00 0.00 C ATOM 200 O GLU A 18 -0.289 -2.966 -3.760 1.00 0.00 O ATOM 201 CB GLU A 18 0.190 -4.788 -6.696 1.00 0.00 C ATOM 202 CG GLU A 18 0.042 -4.227 -8.111 1.00 0.00 C ATOM 203 CD GLU A 18 0.648 -5.208 -9.116 1.00 0.00 C ATOM 204 OE1 GLU A 18 0.157 -6.322 -9.196 1.00 0.00 O ATOM 205 OE2 GLU A 18 1.593 -4.829 -9.788 1.00 0.00 O ATOM 0 H GLU A 18 1.595 -5.433 -4.848 1.00 0.00 H new ATOM 0 HA GLU A 18 1.245 -2.911 -6.334 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.851 -5.655 -6.704 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -0.777 -5.128 -6.326 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.011 -4.060 -8.339 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.541 -3.261 -8.184 1.00 0.00 H new ATOM 212 N MET A 19 -1.399 -2.688 -5.624 1.00 0.00 N ATOM 213 CA MET A 19 -2.547 -2.082 -4.908 1.00 0.00 C ATOM 214 C MET A 19 -3.722 -1.914 -5.855 1.00 0.00 C ATOM 215 O MET A 19 -3.562 -1.790 -7.052 1.00 0.00 O ATOM 216 CB MET A 19 -2.052 -0.738 -4.393 1.00 0.00 C ATOM 217 CG MET A 19 -1.691 0.175 -5.567 1.00 0.00 C ATOM 218 SD MET A 19 -1.620 1.891 -4.995 1.00 0.00 S ATOM 219 CE MET A 19 0.111 2.200 -5.420 1.00 0.00 C ATOM 0 H MET A 19 -1.507 -2.759 -6.636 1.00 0.00 H new ATOM 0 HA MET A 19 -2.895 -2.708 -4.086 1.00 0.00 H new ATOM 0 HB2 MET A 19 -2.822 -0.269 -3.781 1.00 0.00 H new ATOM 0 HB3 MET A 19 -1.181 -0.883 -3.754 1.00 0.00 H new ATOM 0 HG2 MET A 19 -0.730 -0.119 -5.989 1.00 0.00 H new ATOM 0 HG3 MET A 19 -2.431 0.075 -6.361 1.00 0.00 H new ATOM 0 HE1 MET A 19 0.341 3.254 -5.264 1.00 0.00 H new ATOM 0 HE2 MET A 19 0.756 1.590 -4.787 1.00 0.00 H new ATOM 0 HE3 MET A 19 0.281 1.942 -6.465 1.00 0.00 H new ATOM 229 N ALA A 20 -4.905 -1.935 -5.326 1.00 0.00 N ATOM 230 CA ALA A 20 -6.098 -1.806 -6.189 1.00 0.00 C ATOM 231 C ALA A 20 -7.286 -1.314 -5.365 1.00 0.00 C ATOM 232 O ALA A 20 -7.224 -1.238 -4.153 1.00 0.00 O ATOM 233 CB ALA A 20 -6.330 -3.226 -6.699 1.00 0.00 C ATOM 0 H ALA A 20 -5.097 -2.036 -4.329 1.00 0.00 H new ATOM 0 HA ALA A 20 -5.972 -1.090 -7.001 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -7.201 -3.239 -7.354 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -5.453 -3.561 -7.253 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -6.502 -3.893 -5.854 1.00 0.00 H new ATOM 239 N LYS A 21 -8.364 -0.973 -6.009 1.00 0.00 N ATOM 240 CA LYS A 21 -9.549 -0.482 -5.255 1.00 0.00 C ATOM 241 C LYS A 21 -10.522 -1.631 -4.996 1.00 0.00 C ATOM 242 O LYS A 21 -11.009 -2.267 -5.908 1.00 0.00 O ATOM 243 CB LYS A 21 -10.187 0.573 -6.159 1.00 0.00 C ATOM 244 CG LYS A 21 -9.619 1.951 -5.812 1.00 0.00 C ATOM 245 CD LYS A 21 -10.413 3.030 -6.551 1.00 0.00 C ATOM 246 CE LYS A 21 -9.522 4.253 -6.779 1.00 0.00 C ATOM 247 NZ LYS A 21 -8.658 3.884 -7.937 1.00 0.00 N ATOM 0 H LYS A 21 -8.477 -1.012 -7.022 1.00 0.00 H new ATOM 0 HA LYS A 21 -9.279 -0.071 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -9.989 0.339 -7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.269 0.571 -6.031 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -9.672 2.118 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -8.567 2.003 -6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -10.770 2.644 -7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.293 3.310 -5.971 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.116 5.141 -6.996 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -8.925 4.478 -5.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -7.662 4.060 -7.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -8.788 2.876 -8.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.921 4.458 -8.763 1.00 0.00 H new ATOM 261 N THR A 22 -10.806 -1.899 -3.752 1.00 0.00 N ATOM 262 CA THR A 22 -11.746 -3.006 -3.417 1.00 0.00 C ATOM 263 C THR A 22 -13.132 -2.715 -4.001 1.00 0.00 C ATOM 264 O THR A 22 -13.262 -2.079 -5.028 1.00 0.00 O ATOM 265 CB THR A 22 -11.786 -3.038 -1.884 1.00 0.00 C ATOM 266 OG1 THR A 22 -10.547 -2.572 -1.361 1.00 0.00 O ATOM 267 CG2 THR A 22 -12.030 -4.469 -1.405 1.00 0.00 C ATOM 0 H THR A 22 -10.426 -1.397 -2.949 1.00 0.00 H new ATOM 0 HA THR A 22 -11.431 -3.964 -3.830 1.00 0.00 H new ATOM 0 HB THR A 22 -12.593 -2.394 -1.535 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.823 -3.158 -1.664 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.058 -4.488 -0.316 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.981 -4.827 -1.799 1.00 0.00 H new ATOM 0 HG23 THR A 22 -11.225 -5.113 -1.759 1.00 0.00 H new ATOM 275 N SER A 23 -14.164 -3.194 -3.359 1.00 0.00 N ATOM 276 CA SER A 23 -15.559 -2.978 -3.862 1.00 0.00 C ATOM 277 C SER A 23 -15.769 -1.541 -4.361 1.00 0.00 C ATOM 278 O SER A 23 -16.203 -1.323 -5.476 1.00 0.00 O ATOM 279 CB SER A 23 -16.455 -3.254 -2.654 1.00 0.00 C ATOM 280 OG SER A 23 -16.012 -2.478 -1.550 1.00 0.00 O ATOM 0 H SER A 23 -14.102 -3.733 -2.496 1.00 0.00 H new ATOM 0 HA SER A 23 -15.780 -3.626 -4.711 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.490 -3.010 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.427 -4.314 -2.402 1.00 0.00 H new ATOM 0 HG SER A 23 -16.587 -2.653 -0.776 1.00 0.00 H new ATOM 286 N SER A 24 -15.471 -0.559 -3.555 1.00 0.00 N ATOM 287 CA SER A 24 -15.665 0.850 -4.003 1.00 0.00 C ATOM 288 C SER A 24 -14.329 1.450 -4.441 1.00 0.00 C ATOM 289 O SER A 24 -14.031 1.538 -5.616 1.00 0.00 O ATOM 290 CB SER A 24 -16.205 1.585 -2.776 1.00 0.00 C ATOM 291 OG SER A 24 -17.538 1.163 -2.522 1.00 0.00 O ATOM 0 H SER A 24 -15.103 -0.670 -2.610 1.00 0.00 H new ATOM 0 HA SER A 24 -16.343 0.925 -4.853 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.576 1.381 -1.910 1.00 0.00 H new ATOM 0 HB3 SER A 24 -16.178 2.662 -2.942 1.00 0.00 H new ATOM 0 HG SER A 24 -17.885 1.632 -1.735 1.00 0.00 H new ATOM 297 N GLY A 25 -13.522 1.860 -3.504 1.00 0.00 N ATOM 298 CA GLY A 25 -12.201 2.451 -3.865 1.00 0.00 C ATOM 299 C GLY A 25 -11.251 2.339 -2.676 1.00 0.00 C ATOM 300 O GLY A 25 -10.305 3.092 -2.559 1.00 0.00 O ATOM 0 H GLY A 25 -13.718 1.812 -2.504 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.783 1.933 -4.728 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -12.324 3.496 -4.149 1.00 0.00 H new ATOM 304 N GLN A 26 -11.484 1.403 -1.797 1.00 0.00 N ATOM 305 CA GLN A 26 -10.578 1.248 -0.628 1.00 0.00 C ATOM 306 C GLN A 26 -9.183 0.886 -1.127 1.00 0.00 C ATOM 307 O GLN A 26 -8.826 -0.270 -1.233 1.00 0.00 O ATOM 308 CB GLN A 26 -11.175 0.113 0.196 1.00 0.00 C ATOM 309 CG GLN A 26 -12.399 0.632 0.950 1.00 0.00 C ATOM 310 CD GLN A 26 -11.983 1.774 1.880 1.00 0.00 C ATOM 311 OE1 GLN A 26 -11.401 1.544 2.921 1.00 0.00 O ATOM 312 NE2 GLN A 26 -12.259 3.004 1.546 1.00 0.00 N ATOM 0 H GLN A 26 -12.260 0.742 -1.839 1.00 0.00 H new ATOM 0 HA GLN A 26 -10.489 2.158 -0.034 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -11.457 -0.715 -0.454 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -10.435 -0.271 0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -13.153 0.981 0.244 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -12.852 -0.174 1.527 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -12.748 3.198 0.672 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.986 3.772 2.159 1.00 0.00 H new ATOM 321 N ARG A 27 -8.404 1.871 -1.458 1.00 0.00 N ATOM 322 CA ARG A 27 -7.038 1.604 -1.982 1.00 0.00 C ATOM 323 C ARG A 27 -6.275 0.651 -1.068 1.00 0.00 C ATOM 324 O ARG A 27 -5.684 1.055 -0.086 1.00 0.00 O ATOM 325 CB ARG A 27 -6.349 2.964 -2.022 1.00 0.00 C ATOM 326 CG ARG A 27 -5.773 3.191 -3.419 1.00 0.00 C ATOM 327 CD ARG A 27 -4.568 4.126 -3.327 1.00 0.00 C ATOM 328 NE ARG A 27 -4.961 5.340 -4.103 1.00 0.00 N ATOM 329 CZ ARG A 27 -5.736 6.260 -3.576 1.00 0.00 C ATOM 330 NH1 ARG A 27 -6.190 6.144 -2.352 1.00 0.00 N ATOM 331 NH2 ARG A 27 -6.059 7.308 -4.282 1.00 0.00 N ATOM 0 H ARG A 27 -8.655 2.857 -1.388 1.00 0.00 H new ATOM 0 HA ARG A 27 -7.074 1.131 -2.963 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -7.059 3.753 -1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.555 3.005 -1.276 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -5.476 2.240 -3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.532 3.622 -4.072 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.341 4.376 -2.291 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.675 3.662 -3.746 1.00 0.00 H new ATOM 0 HE ARG A 27 -4.622 5.457 -5.058 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -5.942 5.329 -1.791 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -6.791 6.869 -1.960 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.710 7.408 -5.235 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.660 8.028 -3.881 1.00 0.00 H new ATOM 345 N TYR A 28 -6.258 -0.608 -1.399 1.00 0.00 N ATOM 346 CA TYR A 28 -5.503 -1.575 -0.563 1.00 0.00 C ATOM 347 C TYR A 28 -4.278 -2.048 -1.335 1.00 0.00 C ATOM 348 O TYR A 28 -4.352 -2.352 -2.510 1.00 0.00 O ATOM 349 CB TYR A 28 -6.468 -2.726 -0.269 1.00 0.00 C ATOM 350 CG TYR A 28 -6.785 -3.509 -1.523 1.00 0.00 C ATOM 351 CD1 TYR A 28 -7.844 -3.113 -2.347 1.00 0.00 C ATOM 352 CD2 TYR A 28 -6.051 -4.659 -1.836 1.00 0.00 C ATOM 353 CE1 TYR A 28 -8.165 -3.859 -3.484 1.00 0.00 C ATOM 354 CE2 TYR A 28 -6.379 -5.411 -2.969 1.00 0.00 C ATOM 355 CZ TYR A 28 -7.435 -5.012 -3.794 1.00 0.00 C ATOM 356 OH TYR A 28 -7.757 -5.753 -4.912 1.00 0.00 O ATOM 0 H TYR A 28 -6.733 -1.007 -2.209 1.00 0.00 H new ATOM 0 HA TYR A 28 -5.147 -1.138 0.370 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.030 -3.390 0.476 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.389 -2.331 0.159 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.415 -2.229 -2.104 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -5.232 -4.966 -1.203 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -8.977 -3.546 -4.124 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.816 -6.301 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 28 -8.341 -5.226 -5.497 1.00 0.00 H new ATOM 366 N PHE A 29 -3.147 -2.085 -0.698 1.00 0.00 N ATOM 367 CA PHE A 29 -1.918 -2.505 -1.414 1.00 0.00 C ATOM 368 C PHE A 29 -1.750 -4.022 -1.365 1.00 0.00 C ATOM 369 O PHE A 29 -1.645 -4.624 -0.316 1.00 0.00 O ATOM 370 CB PHE A 29 -0.780 -1.781 -0.697 1.00 0.00 C ATOM 371 CG PHE A 29 -0.967 -0.293 -0.895 1.00 0.00 C ATOM 372 CD1 PHE A 29 -1.847 0.417 -0.071 1.00 0.00 C ATOM 373 CD2 PHE A 29 -0.278 0.374 -1.916 1.00 0.00 C ATOM 374 CE1 PHE A 29 -2.039 1.785 -0.266 1.00 0.00 C ATOM 375 CE2 PHE A 29 -0.468 1.745 -2.108 1.00 0.00 C ATOM 376 CZ PHE A 29 -1.349 2.451 -1.283 1.00 0.00 C ATOM 0 H PHE A 29 -3.020 -1.843 0.285 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.946 -2.251 -2.474 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.783 -2.026 0.365 1.00 0.00 H new ATOM 0 HB3 PHE A 29 0.183 -2.099 -1.095 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -2.379 -0.095 0.717 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.400 -0.172 -2.555 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.721 2.330 0.369 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.066 2.259 -2.894 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.496 3.511 -1.432 1.00 0.00 H new ATOM 386 N LYS A 30 -1.731 -4.629 -2.512 1.00 0.00 N ATOM 387 CA LYS A 30 -1.574 -6.098 -2.596 1.00 0.00 C ATOM 388 C LYS A 30 -0.109 -6.474 -2.416 1.00 0.00 C ATOM 389 O LYS A 30 0.782 -5.834 -2.941 1.00 0.00 O ATOM 390 CB LYS A 30 -2.051 -6.438 -4.000 1.00 0.00 C ATOM 391 CG LYS A 30 -3.551 -6.212 -4.089 1.00 0.00 C ATOM 392 CD LYS A 30 -4.230 -7.483 -4.602 1.00 0.00 C ATOM 393 CE LYS A 30 -5.185 -7.129 -5.744 1.00 0.00 C ATOM 394 NZ LYS A 30 -6.446 -7.856 -5.427 1.00 0.00 N ATOM 0 H LYS A 30 -1.820 -4.158 -3.412 1.00 0.00 H new ATOM 0 HA LYS A 30 -2.131 -6.635 -1.828 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.534 -5.818 -4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -1.813 -7.475 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -3.948 -5.945 -3.109 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.765 -5.378 -4.757 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -3.480 -8.194 -4.949 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -4.778 -7.967 -3.793 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.352 -6.053 -5.800 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.781 -7.440 -6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.833 -8.276 -6.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.249 -8.609 -4.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.138 -7.192 -5.026 1.00 0.00 H new ATOM 408 N ASN A 31 0.144 -7.503 -1.673 1.00 0.00 N ATOM 409 CA ASN A 31 1.551 -7.926 -1.441 1.00 0.00 C ATOM 410 C ASN A 31 1.832 -9.254 -2.140 1.00 0.00 C ATOM 411 O ASN A 31 1.261 -10.272 -1.801 1.00 0.00 O ATOM 412 CB ASN A 31 1.662 -8.086 0.075 1.00 0.00 C ATOM 413 CG ASN A 31 3.120 -7.913 0.499 1.00 0.00 C ATOM 414 OD1 ASN A 31 3.926 -7.418 -0.260 1.00 0.00 O ATOM 415 ND2 ASN A 31 3.493 -8.301 1.688 1.00 0.00 N ATOM 0 H ASN A 31 -0.563 -8.076 -1.212 1.00 0.00 H new ATOM 0 HA ASN A 31 2.269 -7.207 -1.835 1.00 0.00 H new ATOM 0 HB2 ASN A 31 1.036 -7.348 0.576 1.00 0.00 H new ATOM 0 HB3 ASN A 31 1.299 -9.069 0.375 1.00 0.00 H new ATOM 0 HD21 ASN A 31 4.464 -8.188 1.980 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.814 -8.717 2.325 1.00 0.00 H new ATOM 422 N HIS A 32 2.718 -9.266 -3.102 1.00 0.00 N ATOM 423 CA HIS A 32 3.027 -10.552 -3.789 1.00 0.00 C ATOM 424 C HIS A 32 4.242 -11.187 -3.115 1.00 0.00 C ATOM 425 O HIS A 32 4.377 -12.394 -3.063 1.00 0.00 O ATOM 426 CB HIS A 32 3.305 -10.187 -5.249 1.00 0.00 C ATOM 427 CG HIS A 32 2.126 -9.422 -5.797 1.00 0.00 C ATOM 428 ND1 HIS A 32 1.026 -10.059 -6.352 1.00 0.00 N ATOM 429 CD2 HIS A 32 1.848 -8.078 -5.857 1.00 0.00 C ATOM 430 CE1 HIS A 32 0.144 -9.106 -6.712 1.00 0.00 C ATOM 431 NE2 HIS A 32 0.598 -7.883 -6.435 1.00 0.00 N ATOM 0 H HIS A 32 3.234 -8.452 -3.437 1.00 0.00 H new ATOM 0 HA HIS A 32 2.214 -11.276 -3.734 1.00 0.00 H new ATOM 0 HB2 HIS A 32 4.211 -9.585 -5.321 1.00 0.00 H new ATOM 0 HB3 HIS A 32 3.475 -11.089 -5.837 1.00 0.00 H new ATOM 0 HD1 HIS A 32 0.906 -11.065 -6.467 1.00 0.00 H new ATOM 0 HD2 HIS A 32 2.501 -7.292 -5.508 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -0.813 -9.308 -7.169 1.00 0.00 H new ATOM 439 N ILE A 33 5.105 -10.381 -2.557 1.00 0.00 N ATOM 440 CA ILE A 33 6.286 -10.945 -1.836 1.00 0.00 C ATOM 441 C ILE A 33 5.776 -11.762 -0.648 1.00 0.00 C ATOM 442 O ILE A 33 6.392 -12.717 -0.219 1.00 0.00 O ATOM 443 CB ILE A 33 7.123 -9.747 -1.348 1.00 0.00 C ATOM 444 CG1 ILE A 33 6.222 -8.690 -0.692 1.00 0.00 C ATOM 445 CG2 ILE A 33 7.871 -9.126 -2.526 1.00 0.00 C ATOM 446 CD1 ILE A 33 7.065 -7.808 0.230 1.00 0.00 C ATOM 0 H ILE A 33 5.046 -9.363 -2.568 1.00 0.00 H new ATOM 0 HA ILE A 33 6.891 -11.591 -2.472 1.00 0.00 H new ATOM 0 HB ILE A 33 7.840 -10.102 -0.608 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.741 -8.081 -1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.428 -9.175 -0.124 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.462 -8.279 -2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.532 -9.870 -2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 33 7.154 -8.785 -3.273 1.00 0.00 H new ATOM 0 HD11 ILE A 33 6.428 -7.057 0.697 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.525 -8.424 1.002 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.843 -7.313 -0.351 1.00 0.00 H new ATOM 458 N ASP A 34 4.636 -11.391 -0.129 1.00 0.00 N ATOM 459 CA ASP A 34 4.046 -12.134 1.022 1.00 0.00 C ATOM 460 C ASP A 34 2.644 -12.653 0.657 1.00 0.00 C ATOM 461 O ASP A 34 2.035 -13.391 1.406 1.00 0.00 O ATOM 462 CB ASP A 34 3.962 -11.111 2.154 1.00 0.00 C ATOM 463 CG ASP A 34 4.205 -11.809 3.493 1.00 0.00 C ATOM 464 OD1 ASP A 34 5.283 -12.352 3.668 1.00 0.00 O ATOM 465 OD2 ASP A 34 3.309 -11.790 4.320 1.00 0.00 O ATOM 0 H ASP A 34 4.084 -10.598 -0.456 1.00 0.00 H new ATOM 0 HA ASP A 34 4.642 -13.002 1.302 1.00 0.00 H new ATOM 0 HB2 ASP A 34 4.701 -10.324 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 34 2.983 -10.633 2.154 1.00 0.00 H new ATOM 470 N GLN A 35 2.129 -12.274 -0.490 1.00 0.00 N ATOM 471 CA GLN A 35 0.771 -12.746 -0.908 1.00 0.00 C ATOM 472 C GLN A 35 -0.293 -12.316 0.107 1.00 0.00 C ATOM 473 O GLN A 35 -0.736 -13.099 0.922 1.00 0.00 O ATOM 474 CB GLN A 35 0.871 -14.273 -0.965 1.00 0.00 C ATOM 475 CG GLN A 35 0.636 -14.746 -2.402 1.00 0.00 C ATOM 476 CD GLN A 35 0.194 -16.211 -2.391 1.00 0.00 C ATOM 477 OE1 GLN A 35 0.577 -16.967 -1.521 1.00 0.00 O ATOM 478 NE2 GLN A 35 -0.604 -16.645 -3.328 1.00 0.00 N ATOM 0 H GLN A 35 2.593 -11.656 -1.156 1.00 0.00 H new ATOM 0 HA GLN A 35 0.476 -12.320 -1.867 1.00 0.00 H new ATOM 0 HB2 GLN A 35 1.853 -14.597 -0.620 1.00 0.00 H new ATOM 0 HB3 GLN A 35 0.135 -14.722 -0.298 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.125 -14.129 -2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 35 1.549 -14.635 -2.987 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.926 -16.010 -4.059 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -0.906 -17.619 -3.330 1.00 0.00 H new ATOM 487 N THR A 36 -0.714 -11.079 0.055 1.00 0.00 N ATOM 488 CA THR A 36 -1.761 -10.604 1.014 1.00 0.00 C ATOM 489 C THR A 36 -2.175 -9.163 0.689 1.00 0.00 C ATOM 490 O THR A 36 -1.347 -8.303 0.466 1.00 0.00 O ATOM 491 CB THR A 36 -1.119 -10.665 2.407 1.00 0.00 C ATOM 492 OG1 THR A 36 0.299 -10.706 2.292 1.00 0.00 O ATOM 493 CG2 THR A 36 -1.609 -11.914 3.143 1.00 0.00 C ATOM 0 H THR A 36 -0.381 -10.378 -0.607 1.00 0.00 H new ATOM 0 HA THR A 36 -2.658 -11.220 0.956 1.00 0.00 H new ATOM 0 HB THR A 36 -1.404 -9.775 2.968 1.00 0.00 H new ATOM 0 HG1 THR A 36 0.699 -10.743 3.186 1.00 0.00 H new ATOM 0 HG21 THR A 36 -1.152 -11.956 4.132 1.00 0.00 H new ATOM 0 HG22 THR A 36 -2.693 -11.874 3.245 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.331 -12.803 2.577 1.00 0.00 H new ATOM 501 N THR A 37 -3.454 -8.895 0.677 1.00 0.00 N ATOM 502 CA THR A 37 -3.930 -7.508 0.386 1.00 0.00 C ATOM 503 C THR A 37 -4.071 -6.736 1.701 1.00 0.00 C ATOM 504 O THR A 37 -4.636 -7.229 2.656 1.00 0.00 O ATOM 505 CB THR A 37 -5.296 -7.686 -0.290 1.00 0.00 C ATOM 506 OG1 THR A 37 -6.215 -8.236 0.643 1.00 0.00 O ATOM 507 CG2 THR A 37 -5.160 -8.628 -1.488 1.00 0.00 C ATOM 0 H THR A 37 -4.191 -9.577 0.856 1.00 0.00 H new ATOM 0 HA THR A 37 -3.242 -6.949 -0.249 1.00 0.00 H new ATOM 0 HB THR A 37 -5.659 -6.717 -0.633 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.965 -8.643 0.162 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.132 -8.752 -1.966 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.455 -8.206 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.796 -9.598 -1.149 1.00 0.00 H new ATOM 515 N THR A 38 -3.553 -5.538 1.771 1.00 0.00 N ATOM 516 CA THR A 38 -3.661 -4.767 3.047 1.00 0.00 C ATOM 517 C THR A 38 -4.191 -3.350 2.802 1.00 0.00 C ATOM 518 O THR A 38 -4.076 -2.807 1.720 1.00 0.00 O ATOM 519 CB THR A 38 -2.233 -4.719 3.607 1.00 0.00 C ATOM 520 OG1 THR A 38 -2.261 -4.170 4.917 1.00 0.00 O ATOM 521 CG2 THR A 38 -1.338 -3.853 2.712 1.00 0.00 C ATOM 0 H THR A 38 -3.065 -5.064 1.011 1.00 0.00 H new ATOM 0 HA THR A 38 -4.361 -5.236 3.738 1.00 0.00 H new ATOM 0 HB THR A 38 -1.830 -5.731 3.636 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.351 -4.139 5.278 1.00 0.00 H new ATOM 0 HG21 THR A 38 -0.328 -3.828 3.122 1.00 0.00 H new ATOM 0 HG22 THR A 38 -1.311 -4.275 1.707 1.00 0.00 H new ATOM 0 HG23 THR A 38 -1.737 -2.840 2.670 1.00 0.00 H new ATOM 529 N TRP A 39 -4.754 -2.747 3.815 1.00 0.00 N ATOM 530 CA TRP A 39 -5.278 -1.364 3.670 1.00 0.00 C ATOM 531 C TRP A 39 -4.130 -0.369 3.838 1.00 0.00 C ATOM 532 O TRP A 39 -4.004 0.583 3.094 1.00 0.00 O ATOM 533 CB TRP A 39 -6.295 -1.191 4.803 1.00 0.00 C ATOM 534 CG TRP A 39 -7.315 -2.285 4.761 1.00 0.00 C ATOM 535 CD1 TRP A 39 -7.149 -3.528 5.277 1.00 0.00 C ATOM 536 CD2 TRP A 39 -8.656 -2.256 4.195 1.00 0.00 C ATOM 537 NE1 TRP A 39 -8.301 -4.259 5.060 1.00 0.00 N ATOM 538 CE2 TRP A 39 -9.258 -3.520 4.397 1.00 0.00 C ATOM 539 CE3 TRP A 39 -9.402 -1.267 3.531 1.00 0.00 C ATOM 540 CZ2 TRP A 39 -10.551 -3.794 3.956 1.00 0.00 C ATOM 541 CZ3 TRP A 39 -10.706 -1.540 3.085 1.00 0.00 C ATOM 542 CH2 TRP A 39 -11.278 -2.803 3.298 1.00 0.00 C ATOM 0 H TRP A 39 -4.873 -3.158 4.741 1.00 0.00 H new ATOM 0 HA TRP A 39 -5.732 -1.192 2.694 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.782 -1.200 5.765 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -6.787 -0.223 4.713 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -6.261 -3.888 5.776 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -8.428 -5.227 5.354 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -8.970 -0.291 3.363 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -10.987 -4.768 4.123 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -11.271 -0.773 2.575 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -12.281 -3.007 2.953 1.00 0.00 H new ATOM 553 N GLN A 40 -3.288 -0.590 4.812 1.00 0.00 N ATOM 554 CA GLN A 40 -2.140 0.335 5.033 1.00 0.00 C ATOM 555 C GLN A 40 -1.363 0.519 3.729 1.00 0.00 C ATOM 556 O GLN A 40 -1.598 -0.167 2.755 1.00 0.00 O ATOM 557 CB GLN A 40 -1.271 -0.354 6.085 1.00 0.00 C ATOM 558 CG GLN A 40 -1.958 -0.271 7.449 1.00 0.00 C ATOM 559 CD GLN A 40 -1.135 0.621 8.382 1.00 0.00 C ATOM 560 OE1 GLN A 40 0.046 0.404 8.562 1.00 0.00 O ATOM 561 NE2 GLN A 40 -1.715 1.622 8.985 1.00 0.00 N ATOM 0 H GLN A 40 -3.346 -1.372 5.464 1.00 0.00 H new ATOM 0 HA GLN A 40 -2.459 1.325 5.359 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.108 -1.396 5.811 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -0.291 0.121 6.130 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -2.964 0.132 7.337 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -2.060 -1.268 7.878 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -2.707 1.803 8.833 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.176 2.223 9.608 1.00 0.00 H new ATOM 570 N ASP A 41 -0.446 1.442 3.697 1.00 0.00 N ATOM 571 CA ASP A 41 0.331 1.664 2.448 1.00 0.00 C ATOM 572 C ASP A 41 1.799 1.267 2.651 1.00 0.00 C ATOM 573 O ASP A 41 2.409 1.658 3.626 1.00 0.00 O ATOM 574 CB ASP A 41 0.223 3.163 2.182 1.00 0.00 C ATOM 575 CG ASP A 41 -1.251 3.562 2.090 1.00 0.00 C ATOM 576 OD1 ASP A 41 -1.965 3.352 3.056 1.00 0.00 O ATOM 577 OD2 ASP A 41 -1.640 4.073 1.054 1.00 0.00 O ATOM 0 H ASP A 41 -0.201 2.051 4.478 1.00 0.00 H new ATOM 0 HA ASP A 41 -0.047 1.067 1.618 1.00 0.00 H new ATOM 0 HB2 ASP A 41 0.712 3.721 2.981 1.00 0.00 H new ATOM 0 HB3 ASP A 41 0.737 3.416 1.255 1.00 0.00 H new ATOM 582 N PRO A 42 2.330 0.512 1.720 1.00 0.00 N ATOM 583 CA PRO A 42 3.746 0.089 1.820 1.00 0.00 C ATOM 584 C PRO A 42 4.671 1.280 1.540 1.00 0.00 C ATOM 585 O PRO A 42 5.851 1.244 1.830 1.00 0.00 O ATOM 586 CB PRO A 42 3.883 -0.977 0.739 1.00 0.00 C ATOM 587 CG PRO A 42 2.810 -0.661 -0.254 1.00 0.00 C ATOM 588 CD PRO A 42 1.684 -0.012 0.507 1.00 0.00 C ATOM 0 HA PRO A 42 4.017 -0.284 2.808 1.00 0.00 H new ATOM 0 HB2 PRO A 42 4.870 -0.946 0.277 1.00 0.00 H new ATOM 0 HB3 PRO A 42 3.756 -1.977 1.153 1.00 0.00 H new ATOM 0 HG2 PRO A 42 3.186 0.006 -1.029 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.467 -1.567 -0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 42 1.217 0.785 -0.073 1.00 0.00 H new ATOM 0 HD3 PRO A 42 0.901 -0.730 0.750 1.00 0.00 H new ATOM 596 N ARG A 43 4.143 2.337 0.978 1.00 0.00 N ATOM 597 CA ARG A 43 4.986 3.529 0.680 1.00 0.00 C ATOM 598 C ARG A 43 5.254 4.322 1.962 1.00 0.00 C ATOM 599 O ARG A 43 6.311 4.228 2.555 1.00 0.00 O ATOM 600 CB ARG A 43 4.152 4.362 -0.294 1.00 0.00 C ATOM 601 CG ARG A 43 4.227 3.745 -1.691 1.00 0.00 C ATOM 602 CD ARG A 43 2.812 3.526 -2.224 1.00 0.00 C ATOM 603 NE ARG A 43 2.910 3.779 -3.692 1.00 0.00 N ATOM 604 CZ ARG A 43 3.153 4.983 -4.154 1.00 0.00 C ATOM 605 NH1 ARG A 43 3.310 6.001 -3.343 1.00 0.00 N ATOM 606 NH2 ARG A 43 3.237 5.171 -5.443 1.00 0.00 N ATOM 0 H ARG A 43 3.162 2.424 0.713 1.00 0.00 H new ATOM 0 HA ARG A 43 5.956 3.257 0.265 1.00 0.00 H new ATOM 0 HB2 ARG A 43 3.116 4.403 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.520 5.388 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.783 4.401 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 43 4.765 2.797 -1.654 1.00 0.00 H new ATOM 0 HD2 ARG A 43 2.466 2.513 -2.020 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.103 4.206 -1.753 1.00 0.00 H new ATOM 0 HE ARG A 43 2.786 3.005 -4.345 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.244 5.864 -2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.498 6.930 -3.721 1.00 0.00 H new ATOM 0 HH21 ARG A 43 3.114 4.386 -6.082 1.00 0.00 H new ATOM 0 HH22 ARG A 43 3.426 6.103 -5.811 1.00 0.00 H new ATOM 620 N LYS A 44 4.303 5.107 2.392 1.00 0.00 N ATOM 621 CA LYS A 44 4.501 5.911 3.632 1.00 0.00 C ATOM 622 C LYS A 44 4.261 5.050 4.874 1.00 0.00 C ATOM 623 O LYS A 44 4.950 5.171 5.868 1.00 0.00 O ATOM 624 CB LYS A 44 3.462 7.029 3.547 1.00 0.00 C ATOM 625 CG LYS A 44 3.962 8.249 4.323 1.00 0.00 C ATOM 626 CD LYS A 44 4.740 9.170 3.381 1.00 0.00 C ATOM 627 CE LYS A 44 5.871 9.852 4.153 1.00 0.00 C ATOM 628 NZ LYS A 44 6.049 11.171 3.482 1.00 0.00 N ATOM 0 H LYS A 44 3.397 5.226 1.938 1.00 0.00 H new ATOM 0 HA LYS A 44 5.516 6.299 3.711 1.00 0.00 H new ATOM 0 HB2 LYS A 44 3.283 7.295 2.505 1.00 0.00 H new ATOM 0 HB3 LYS A 44 2.511 6.688 3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 44 3.120 8.786 4.760 1.00 0.00 H new ATOM 0 HG3 LYS A 44 4.600 7.932 5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.148 8.596 2.549 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.073 9.919 2.955 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.614 9.975 5.205 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.787 9.262 4.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.657 11.779 4.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.493 11.030 2.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.122 11.625 3.358 1.00 0.00 H new ATOM 642 N ALA A 45 3.287 4.183 4.829 1.00 0.00 N ATOM 643 CA ALA A 45 3.003 3.318 6.011 1.00 0.00 C ATOM 644 C ALA A 45 3.934 2.103 6.015 1.00 0.00 C ATOM 645 O ALA A 45 3.528 0.996 5.723 1.00 0.00 O ATOM 646 CB ALA A 45 1.548 2.882 5.842 1.00 0.00 C ATOM 0 H ALA A 45 2.676 4.036 4.026 1.00 0.00 H new ATOM 0 HA ALA A 45 3.164 3.841 6.954 1.00 0.00 H new ATOM 0 HB1 ALA A 45 1.261 2.240 6.675 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.904 3.762 5.824 1.00 0.00 H new ATOM 0 HB3 ALA A 45 1.439 2.333 4.907 1.00 0.00 H new ATOM 652 N MET A 46 5.181 2.302 6.347 1.00 0.00 N ATOM 653 CA MET A 46 6.137 1.160 6.373 1.00 0.00 C ATOM 654 C MET A 46 7.375 1.528 7.194 1.00 0.00 C ATOM 655 O MET A 46 7.737 2.682 7.305 1.00 0.00 O ATOM 656 CB MET A 46 6.514 0.922 4.910 1.00 0.00 C ATOM 657 CG MET A 46 7.585 -0.168 4.826 1.00 0.00 C ATOM 658 SD MET A 46 7.206 -1.283 3.452 1.00 0.00 S ATOM 659 CE MET A 46 6.491 -2.622 4.437 1.00 0.00 C ATOM 0 H MET A 46 5.578 3.206 6.601 1.00 0.00 H new ATOM 0 HA MET A 46 5.705 0.270 6.830 1.00 0.00 H new ATOM 0 HB2 MET A 46 5.633 0.625 4.341 1.00 0.00 H new ATOM 0 HB3 MET A 46 6.885 1.845 4.465 1.00 0.00 H new ATOM 0 HG2 MET A 46 8.567 0.283 4.682 1.00 0.00 H new ATOM 0 HG3 MET A 46 7.625 -0.727 5.761 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.182 -3.433 3.778 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.235 -2.992 5.143 1.00 0.00 H new ATOM 0 HE3 MET A 46 5.625 -2.249 4.984 1.00 0.00 H new ATOM 669 N LEU A 47 8.026 0.554 7.769 1.00 0.00 N ATOM 670 CA LEU A 47 9.244 0.841 8.585 1.00 0.00 C ATOM 671 C LEU A 47 8.974 1.977 9.578 1.00 0.00 C ATOM 672 O LEU A 47 9.879 2.671 10.001 1.00 0.00 O ATOM 673 CB LEU A 47 10.303 1.256 7.566 1.00 0.00 C ATOM 674 CG LEU A 47 11.686 0.830 8.063 1.00 0.00 C ATOM 675 CD1 LEU A 47 12.097 -0.472 7.374 1.00 0.00 C ATOM 676 CD2 LEU A 47 12.705 1.924 7.737 1.00 0.00 C ATOM 0 H LEU A 47 7.768 -0.431 7.710 1.00 0.00 H new ATOM 0 HA LEU A 47 9.556 -0.019 9.178 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.094 0.795 6.601 1.00 0.00 H new ATOM 0 HB3 LEU A 47 10.275 2.335 7.416 1.00 0.00 H new ATOM 0 HG LEU A 47 11.652 0.675 9.141 1.00 0.00 H new ATOM 0 HD11 LEU A 47 13.082 -0.776 7.728 1.00 0.00 H new ATOM 0 HD12 LEU A 47 11.372 -1.252 7.607 1.00 0.00 H new ATOM 0 HD13 LEU A 47 12.130 -0.318 6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 47 13.690 1.621 8.091 1.00 0.00 H new ATOM 0 HD22 LEU A 47 12.739 2.080 6.659 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.413 2.852 8.229 1.00 0.00 H new ATOM 688 N SER A 48 7.740 2.171 9.953 1.00 0.00 N ATOM 689 CA SER A 48 7.416 3.261 10.918 1.00 0.00 C ATOM 690 C SER A 48 5.943 3.185 11.329 1.00 0.00 C ATOM 691 O SER A 48 5.611 3.249 12.496 1.00 0.00 O ATOM 692 CB SER A 48 7.695 4.559 10.158 1.00 0.00 C ATOM 693 OG SER A 48 8.132 5.556 11.069 1.00 0.00 O ATOM 0 H SER A 48 6.942 1.623 9.634 1.00 0.00 H new ATOM 0 HA SER A 48 8.004 3.190 11.833 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.455 4.390 9.395 1.00 0.00 H new ATOM 0 HB3 SER A 48 6.794 4.892 9.642 1.00 0.00 H new ATOM 0 HG SER A 48 8.313 6.387 10.582 1.00 0.00 H new ATOM 699 N GLN A 49 5.059 3.048 10.379 1.00 0.00 N ATOM 700 CA GLN A 49 3.608 2.967 10.716 1.00 0.00 C ATOM 701 C GLN A 49 3.198 4.161 11.582 1.00 0.00 C ATOM 702 O GLN A 49 4.011 4.990 11.938 1.00 0.00 O ATOM 703 CB GLN A 49 3.454 1.661 11.495 1.00 0.00 C ATOM 704 CG GLN A 49 1.984 1.237 11.495 1.00 0.00 C ATOM 705 CD GLN A 49 1.889 -0.275 11.707 1.00 0.00 C ATOM 706 OE1 GLN A 49 2.120 -1.044 10.796 1.00 0.00 O ATOM 707 NE2 GLN A 49 1.555 -0.736 12.882 1.00 0.00 N ATOM 0 H GLN A 49 5.278 2.989 9.385 1.00 0.00 H new ATOM 0 HA GLN A 49 2.976 2.988 9.828 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.068 0.882 11.044 1.00 0.00 H new ATOM 0 HB3 GLN A 49 3.806 1.792 12.518 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.444 1.760 12.284 1.00 0.00 H new ATOM 0 HG3 GLN A 49 1.515 1.513 10.550 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.361 -0.090 13.647 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.488 -1.742 13.035 1.00 0.00 H new ATOM 716 N MET A 50 1.943 4.253 11.924 1.00 0.00 N ATOM 717 CA MET A 50 1.482 5.393 12.768 1.00 0.00 C ATOM 718 C MET A 50 0.356 4.939 13.703 1.00 0.00 C ATOM 719 O MET A 50 0.643 4.684 14.861 1.00 0.00 O ATOM 720 CB MET A 50 0.965 6.437 11.776 1.00 0.00 C ATOM 721 CG MET A 50 1.986 7.570 11.650 1.00 0.00 C ATOM 722 SD MET A 50 1.220 8.982 10.817 1.00 0.00 S ATOM 723 CE MET A 50 2.513 10.192 11.189 1.00 0.00 C ATOM 724 OXT MET A 50 -0.770 4.855 13.243 1.00 0.00 O ATOM 0 H MET A 50 1.216 3.589 11.656 1.00 0.00 H new ATOM 0 HA MET A 50 2.279 5.788 13.398 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.795 5.977 10.803 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.007 6.832 12.114 1.00 0.00 H new ATOM 0 HG2 MET A 50 2.341 7.865 12.637 1.00 0.00 H new ATOM 0 HG3 MET A 50 2.855 7.230 11.087 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.242 11.157 10.761 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.618 10.291 12.269 1.00 0.00 H new ATOM 0 HE3 MET A 50 3.458 9.857 10.761 1.00 0.00 H new TER 734 MET A 50 ATOM 735 N GLY P 51 -16.406 -4.163 11.320 1.00 0.00 N ATOM 736 CA GLY P 51 -15.434 -3.820 10.243 1.00 0.00 C ATOM 737 C GLY P 51 -15.344 -4.978 9.248 1.00 0.00 C ATOM 738 O GLY P 51 -15.664 -6.108 9.564 1.00 0.00 O ATOM 0 HA2 GLY P 51 -15.748 -2.911 9.731 1.00 0.00 H new ATOM 0 HA3 GLY P 51 -14.453 -3.620 10.674 1.00 0.00 H new ATOM 744 N THR P 52 -14.911 -4.708 8.047 1.00 0.00 N ATOM 745 CA THR P 52 -14.800 -5.796 7.033 1.00 0.00 C ATOM 746 C THR P 52 -13.328 -6.034 6.669 1.00 0.00 C ATOM 747 O THR P 52 -12.545 -5.107 6.638 1.00 0.00 O ATOM 748 CB THR P 52 -15.577 -5.285 5.818 1.00 0.00 C ATOM 749 OG1 THR P 52 -15.354 -3.890 5.670 1.00 0.00 O ATOM 750 CG2 THR P 52 -17.071 -5.547 6.019 1.00 0.00 C ATOM 0 H THR P 52 -14.629 -3.782 7.724 1.00 0.00 H new ATOM 0 HA THR P 52 -15.193 -6.744 7.400 1.00 0.00 H new ATOM 0 HB THR P 52 -15.237 -5.805 4.922 1.00 0.00 H new ATOM 0 HG1 THR P 52 -15.849 -3.560 4.891 1.00 0.00 H new ATOM 0 HG21 THR P 52 -17.624 -5.183 5.153 1.00 0.00 H new ATOM 0 HG22 THR P 52 -17.240 -6.618 6.134 1.00 0.00 H new ATOM 0 HG23 THR P 52 -17.414 -5.027 6.914 1.00 0.00 H new ATOM 758 N PRO P 53 -12.997 -7.275 6.404 1.00 0.00 N ATOM 759 CA PRO P 53 -11.602 -7.623 6.040 1.00 0.00 C ATOM 760 C PRO P 53 -11.277 -7.127 4.624 1.00 0.00 C ATOM 761 O PRO P 53 -12.154 -6.673 3.915 1.00 0.00 O ATOM 762 CB PRO P 53 -11.583 -9.148 6.099 1.00 0.00 C ATOM 763 CG PRO P 53 -13.002 -9.561 5.876 1.00 0.00 C ATOM 764 CD PRO P 53 -13.873 -8.457 6.416 1.00 0.00 C ATOM 0 HA PRO P 53 -10.863 -7.167 6.699 1.00 0.00 H new ATOM 0 HB2 PRO P 53 -10.926 -9.564 5.335 1.00 0.00 H new ATOM 0 HB3 PRO P 53 -11.216 -9.501 7.063 1.00 0.00 H new ATOM 0 HG2 PRO P 53 -13.195 -9.720 4.815 1.00 0.00 H new ATOM 0 HG3 PRO P 53 -13.214 -10.502 6.383 1.00 0.00 H new ATOM 0 HD2 PRO P 53 -14.756 -8.306 5.795 1.00 0.00 H new ATOM 0 HD3 PRO P 53 -14.225 -8.683 7.422 1.00 0.00 H new ATOM 772 N PRO P 54 -10.023 -7.230 4.253 1.00 0.00 N ATOM 773 CA PRO P 54 -9.591 -6.782 2.904 1.00 0.00 C ATOM 774 C PRO P 54 -10.175 -7.692 1.815 1.00 0.00 C ATOM 775 O PRO P 54 -10.794 -8.694 2.113 1.00 0.00 O ATOM 776 CB PRO P 54 -8.067 -6.903 2.959 1.00 0.00 C ATOM 777 CG PRO P 54 -7.805 -7.922 4.018 1.00 0.00 C ATOM 778 CD PRO P 54 -8.899 -7.766 5.038 1.00 0.00 C ATOM 0 HA PRO P 54 -9.927 -5.774 2.661 1.00 0.00 H new ATOM 0 HB2 PRO P 54 -7.660 -7.217 1.998 1.00 0.00 H new ATOM 0 HB3 PRO P 54 -7.603 -5.948 3.205 1.00 0.00 H new ATOM 0 HG2 PRO P 54 -7.806 -8.928 3.598 1.00 0.00 H new ATOM 0 HG3 PRO P 54 -6.826 -7.767 4.472 1.00 0.00 H new ATOM 0 HD2 PRO P 54 -9.152 -8.718 5.504 1.00 0.00 H new ATOM 0 HD3 PRO P 54 -8.608 -7.086 5.839 1.00 0.00 H new ATOM 786 N PRO P 55 -9.962 -7.308 0.577 1.00 0.00 N ATOM 787 CA PRO P 55 -10.481 -8.103 -0.566 1.00 0.00 C ATOM 788 C PRO P 55 -9.737 -9.440 -0.679 1.00 0.00 C ATOM 789 O PRO P 55 -8.674 -9.603 -0.115 1.00 0.00 O ATOM 790 CB PRO P 55 -10.202 -7.212 -1.778 1.00 0.00 C ATOM 791 CG PRO P 55 -9.075 -6.330 -1.356 1.00 0.00 C ATOM 792 CD PRO P 55 -9.225 -6.117 0.126 1.00 0.00 C ATOM 0 HA PRO P 55 -11.536 -8.358 -0.466 1.00 0.00 H new ATOM 0 HB2 PRO P 55 -9.933 -7.806 -2.651 1.00 0.00 H new ATOM 0 HB3 PRO P 55 -11.081 -6.627 -2.049 1.00 0.00 H new ATOM 0 HG2 PRO P 55 -8.115 -6.792 -1.585 1.00 0.00 H new ATOM 0 HG3 PRO P 55 -9.107 -5.380 -1.889 1.00 0.00 H new ATOM 0 HD2 PRO P 55 -8.256 -6.035 0.619 1.00 0.00 H new ATOM 0 HD3 PRO P 55 -9.773 -5.200 0.345 1.00 0.00 H new ATOM 800 N PRO P 56 -10.325 -10.359 -1.408 1.00 0.00 N ATOM 801 CA PRO P 56 -9.699 -11.693 -1.589 1.00 0.00 C ATOM 802 C PRO P 56 -8.460 -11.579 -2.477 1.00 0.00 C ATOM 803 O PRO P 56 -8.554 -11.337 -3.664 1.00 0.00 O ATOM 804 CB PRO P 56 -10.791 -12.513 -2.271 1.00 0.00 C ATOM 805 CG PRO P 56 -11.656 -11.506 -2.957 1.00 0.00 C ATOM 806 CD PRO P 56 -11.604 -10.250 -2.128 1.00 0.00 C ATOM 0 HA PRO P 56 -9.362 -12.143 -0.655 1.00 0.00 H new ATOM 0 HB2 PRO P 56 -10.367 -13.220 -2.984 1.00 0.00 H new ATOM 0 HB3 PRO P 56 -11.360 -13.094 -1.545 1.00 0.00 H new ATOM 0 HG2 PRO P 56 -11.299 -11.316 -3.969 1.00 0.00 H new ATOM 0 HG3 PRO P 56 -12.680 -11.870 -3.043 1.00 0.00 H new ATOM 0 HD2 PRO P 56 -11.637 -9.357 -2.752 1.00 0.00 H new ATOM 0 HD3 PRO P 56 -12.447 -10.189 -1.440 1.00 0.00 H new ATOM 814 N TYR P 57 -7.298 -11.747 -1.910 1.00 0.00 N ATOM 815 CA TYR P 57 -6.051 -11.642 -2.718 1.00 0.00 C ATOM 816 C TYR P 57 -6.132 -12.550 -3.950 1.00 0.00 C ATOM 817 O TYR P 57 -6.860 -13.523 -3.971 1.00 0.00 O ATOM 818 CB TYR P 57 -4.934 -12.105 -1.786 1.00 0.00 C ATOM 819 CG TYR P 57 -3.602 -11.852 -2.446 1.00 0.00 C ATOM 820 CD1 TYR P 57 -3.131 -12.731 -3.428 1.00 0.00 C ATOM 821 CD2 TYR P 57 -2.840 -10.736 -2.081 1.00 0.00 C ATOM 822 CE1 TYR P 57 -1.897 -12.492 -4.045 1.00 0.00 C ATOM 823 CE2 TYR P 57 -1.608 -10.498 -2.696 1.00 0.00 C ATOM 824 CZ TYR P 57 -1.137 -11.377 -3.678 1.00 0.00 C ATOM 825 OH TYR P 57 0.078 -11.144 -4.286 1.00 0.00 O ATOM 0 H TYR P 57 -7.158 -11.953 -0.921 1.00 0.00 H new ATOM 0 HA TYR P 57 -5.885 -10.629 -3.084 1.00 0.00 H new ATOM 0 HB2 TYR P 57 -4.991 -11.571 -0.837 1.00 0.00 H new ATOM 0 HB3 TYR P 57 -5.047 -13.166 -1.562 1.00 0.00 H new ATOM 0 HD1 TYR P 57 -3.719 -13.592 -3.709 1.00 0.00 H new ATOM 0 HD2 TYR P 57 -3.205 -10.058 -1.323 1.00 0.00 H new ATOM 0 HE1 TYR P 57 -1.532 -13.168 -4.804 1.00 0.00 H new ATOM 0 HE2 TYR P 57 -1.020 -9.637 -2.414 1.00 0.00 H new ATOM 0 HH TYR P 57 -0.069 -10.743 -5.168 1.00 0.00 H new ATOM 835 N THR P 58 -5.386 -12.237 -4.974 1.00 0.00 N ATOM 836 CA THR P 58 -5.415 -13.077 -6.205 1.00 0.00 C ATOM 837 C THR P 58 -4.123 -12.882 -7.004 1.00 0.00 C ATOM 838 O THR P 58 -3.075 -12.616 -6.450 1.00 0.00 O ATOM 839 CB THR P 58 -6.620 -12.574 -7.000 1.00 0.00 C ATOM 840 OG1 THR P 58 -6.702 -13.278 -8.232 1.00 0.00 O ATOM 841 CG2 THR P 58 -6.465 -11.078 -7.275 1.00 0.00 C ATOM 0 H THR P 58 -4.757 -11.435 -5.011 1.00 0.00 H new ATOM 0 HA THR P 58 -5.493 -14.141 -5.980 1.00 0.00 H new ATOM 0 HB THR P 58 -7.530 -12.743 -6.424 1.00 0.00 H new ATOM 0 HG1 THR P 58 -7.475 -12.957 -8.741 1.00 0.00 H new ATOM 0 HG21 THR P 58 -7.325 -10.721 -7.842 1.00 0.00 H new ATOM 0 HG22 THR P 58 -6.404 -10.539 -6.330 1.00 0.00 H new ATOM 0 HG23 THR P 58 -5.555 -10.906 -7.850 1.00 0.00 H new ATOM 849 N VAL P 59 -4.188 -13.010 -8.301 1.00 0.00 N ATOM 850 CA VAL P 59 -2.962 -12.830 -9.130 1.00 0.00 C ATOM 851 C VAL P 59 -3.333 -12.745 -10.613 1.00 0.00 C ATOM 852 O VAL P 59 -2.569 -13.127 -11.477 1.00 0.00 O ATOM 853 CB VAL P 59 -2.115 -14.074 -8.860 1.00 0.00 C ATOM 854 CG1 VAL P 59 -2.885 -15.320 -9.301 1.00 0.00 C ATOM 855 CG2 VAL P 59 -0.805 -13.978 -9.645 1.00 0.00 C ATOM 0 H VAL P 59 -5.036 -13.231 -8.822 1.00 0.00 H new ATOM 0 HA VAL P 59 -2.429 -11.912 -8.884 1.00 0.00 H new ATOM 0 HB VAL P 59 -1.896 -14.141 -7.794 1.00 0.00 H new ATOM 0 HG11 VAL P 59 -2.282 -16.207 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL P 59 -3.818 -15.388 -8.742 1.00 0.00 H new ATOM 0 HG13 VAL P 59 -3.104 -15.254 -10.367 1.00 0.00 H new ATOM 0 HG21 VAL P 59 -0.200 -14.864 -9.453 1.00 0.00 H new ATOM 0 HG22 VAL P 59 -1.024 -13.911 -10.711 1.00 0.00 H new ATOM 0 HG23 VAL P 59 -0.257 -13.090 -9.331 1.00 0.00 H new ATOM 865 N GLY P 60 -4.501 -12.246 -10.914 1.00 0.00 N ATOM 866 CA GLY P 60 -4.919 -12.136 -12.339 1.00 0.00 C ATOM 867 C GLY P 60 -4.449 -10.796 -12.908 1.00 0.00 C ATOM 868 O GLY P 60 -3.668 -10.135 -12.244 1.00 0.00 O ATOM 869 OXT GLY P 60 -4.878 -10.454 -13.998 1.00 0.00 O ATOM 0 H GLY P 60 -5.183 -11.910 -10.234 1.00 0.00 H new ATOM 0 HA2 GLY P 60 -4.496 -12.957 -12.917 1.00 0.00 H new ATOM 0 HA3 GLY P 60 -6.003 -12.216 -12.418 1.00 0.00 H new TER 873 GLY P 60