USER MOD reduce.3.24.130724 H: found=0, std=0, add=919, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 917 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 95 SER OG : rot 180:sc=-0.00691 USER MOD Set 1.2: A 96 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 40 LYS NZ :NH3+ -175:sc= 0 (180deg=0) USER MOD Set 2.2: A 48 GLN : amide:sc= -1.65 K(o=-1.7,f=-4.9!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 3:sc= 0.49 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 173:sc= -0.201 (180deg=-0.285) USER MOD Single : A 11 MET CE :methyl -157:sc= -0.565 (180deg=-0.896) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.217) USER MOD Single : A 17 GLN : amide:sc= -1.93 X(o=-1.9,f=-1.5!) USER MOD Single : A 19 SER OG : rot 180:sc= 0.00683 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 K(o=0,f=-3.2!) USER MOD Single : A 25 GLN : amide:sc= -3.48! C(o=-3.5!,f=-9!) USER MOD Single : A 26 GLN : amide:sc= -0.338 K(o=-0.34,f=-2.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.17 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 GLN : amide:sc= -1.12 K(o=-1.1,f=-3.4!) USER MOD Single : A 37 TYR OH : rot 180:sc= -1.18 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0679 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0159 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 CYS SG : rot 28:sc= 0.52 USER MOD Single : A 51 MET CE :methyl 178:sc= -0.915 (180deg=-0.938) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 CYS SG : rot 100:sc= -2.25! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 ASN : amide:sc= -2.7! C(o=-2.7!,f=-4.3!) USER MOD Single : A 70 LYS NZ :NH3+ -137:sc= 0.246 (180deg=0) USER MOD Single : A 79 SER OG : rot 35:sc= 0.472 USER MOD Single : A 82 GLN : amide:sc= -0.0854 X(o=-0.085,f=-0.29) USER MOD Single : A 83 ASN : amide:sc= -0.0114 K(o=-0.011,f=-1.1) USER MOD Single : A 85 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.137 K(o=-0.14,f=-3.6!) USER MOD Single : A 89 SER OG : rot -120:sc= -0.202 USER MOD Single : A 90 TYR OH : rot 130:sc= -0.309 USER MOD Single : A 93 MET CE :methyl 180:sc= -8.65! (180deg=-8.65!) USER MOD Single : A 97 GLN : amide:sc=-0.00924 X(o=-0.0092,f=0) USER MOD Single : A 100 MET CE :methyl 149:sc= -0.291 (180deg=-1.44!) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 40:sc= 0.132 USER MOD Single : A 116 SER OG : rot 25:sc= 0.36 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.355 25.089 7.579 1.00 0.00 N ATOM 2 CA GLY A 1 -10.114 23.862 7.751 1.00 0.00 C ATOM 3 C GLY A 1 -10.432 23.220 6.399 1.00 0.00 C ATOM 4 O GLY A 1 -11.582 23.219 5.963 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.152 25.505 8.510 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.461 24.879 7.091 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.908 25.763 7.012 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.547 23.163 8.365 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.041 24.075 8.283 1.00 0.00 H new ATOM 8 N SER A 2 -9.391 22.690 5.773 1.00 0.00 N ATOM 9 CA SER A 2 -9.545 22.046 4.479 1.00 0.00 C ATOM 10 C SER A 2 -9.691 20.534 4.661 1.00 0.00 C ATOM 11 O SER A 2 -10.688 19.949 4.242 1.00 0.00 O ATOM 12 CB SER A 2 -8.358 22.358 3.565 1.00 0.00 C ATOM 13 OG SER A 2 -8.779 22.759 2.263 1.00 0.00 O ATOM 0 H SER A 2 -8.438 22.693 6.137 1.00 0.00 H new ATOM 0 HA SER A 2 -10.446 22.437 4.007 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.755 23.149 4.011 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.720 21.478 3.485 1.00 0.00 H new ATOM 0 HG SER A 2 -7.993 22.951 1.710 1.00 0.00 H new ATOM 19 N SER A 3 -8.682 19.945 5.287 1.00 0.00 N ATOM 20 CA SER A 3 -8.686 18.513 5.530 1.00 0.00 C ATOM 21 C SER A 3 -7.770 18.179 6.709 1.00 0.00 C ATOM 22 O SER A 3 -6.873 18.953 7.040 1.00 0.00 O ATOM 23 CB SER A 3 -8.249 17.742 4.283 1.00 0.00 C ATOM 24 OG SER A 3 -9.173 17.895 3.209 1.00 0.00 O ATOM 0 H SER A 3 -7.856 20.434 5.633 1.00 0.00 H new ATOM 0 HA SER A 3 -9.705 18.210 5.773 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.266 18.091 3.967 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.149 16.684 4.527 1.00 0.00 H new ATOM 0 HG SER A 3 -9.890 18.506 3.479 1.00 0.00 H new ATOM 30 N GLY A 4 -8.028 17.027 7.310 1.00 0.00 N ATOM 31 CA GLY A 4 -7.237 16.582 8.444 1.00 0.00 C ATOM 32 C GLY A 4 -7.783 17.157 9.753 1.00 0.00 C ATOM 33 O GLY A 4 -7.373 18.235 10.180 1.00 0.00 O ATOM 0 H GLY A 4 -8.774 16.388 7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -7.242 15.493 8.491 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.200 16.890 8.312 1.00 0.00 H new ATOM 37 N SER A 5 -8.700 16.412 10.353 1.00 0.00 N ATOM 38 CA SER A 5 -9.306 16.835 11.604 1.00 0.00 C ATOM 39 C SER A 5 -8.367 16.527 12.771 1.00 0.00 C ATOM 40 O SER A 5 -7.822 17.440 13.391 1.00 0.00 O ATOM 41 CB SER A 5 -10.659 16.153 11.818 1.00 0.00 C ATOM 42 OG SER A 5 -11.398 16.755 12.877 1.00 0.00 O ATOM 0 H SER A 5 -9.038 15.518 9.996 1.00 0.00 H new ATOM 0 HA SER A 5 -9.474 17.911 11.556 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.240 16.202 10.897 1.00 0.00 H new ATOM 0 HB3 SER A 5 -10.502 15.097 12.040 1.00 0.00 H new ATOM 0 HG SER A 5 -12.256 16.293 12.981 1.00 0.00 H new ATOM 48 N SER A 6 -8.205 15.239 13.036 1.00 0.00 N ATOM 49 CA SER A 6 -7.341 14.800 14.118 1.00 0.00 C ATOM 50 C SER A 6 -6.716 13.447 13.772 1.00 0.00 C ATOM 51 O SER A 6 -7.378 12.581 13.203 1.00 0.00 O ATOM 52 CB SER A 6 -8.112 14.707 15.436 1.00 0.00 C ATOM 53 OG SER A 6 -9.045 13.630 15.434 1.00 0.00 O ATOM 0 H SER A 6 -8.658 14.485 12.520 1.00 0.00 H new ATOM 0 HA SER A 6 -6.549 15.538 14.244 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.409 14.576 16.259 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.640 15.644 15.614 1.00 0.00 H new ATOM 0 HG SER A 6 -9.516 13.603 16.293 1.00 0.00 H new ATOM 59 N GLY A 7 -5.448 13.309 14.130 1.00 0.00 N ATOM 60 CA GLY A 7 -4.726 12.076 13.865 1.00 0.00 C ATOM 61 C GLY A 7 -4.937 11.616 12.421 1.00 0.00 C ATOM 62 O GLY A 7 -5.506 12.346 11.610 1.00 0.00 O ATOM 0 H GLY A 7 -4.902 14.030 14.601 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.662 12.226 14.051 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.063 11.299 14.551 1.00 0.00 H new ATOM 66 N PRO A 8 -4.456 10.377 12.136 1.00 0.00 N ATOM 67 CA PRO A 8 -4.587 9.811 10.804 1.00 0.00 C ATOM 68 C PRO A 8 -6.023 9.352 10.542 1.00 0.00 C ATOM 69 O PRO A 8 -6.925 9.647 11.324 1.00 0.00 O ATOM 70 CB PRO A 8 -3.582 8.672 10.760 1.00 0.00 C ATOM 71 CG PRO A 8 -3.259 8.345 12.208 1.00 0.00 C ATOM 72 CD PRO A 8 -3.778 9.484 13.071 1.00 0.00 C ATOM 0 HA PRO A 8 -4.382 10.536 10.017 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.997 7.804 10.247 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -2.684 8.964 10.216 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -3.724 7.403 12.499 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -2.184 8.225 12.341 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.462 9.120 13.838 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -2.964 9.994 13.586 1.00 0.00 H new ATOM 80 N ILE A 9 -6.189 8.638 9.438 1.00 0.00 N ATOM 81 CA ILE A 9 -7.500 8.136 9.063 1.00 0.00 C ATOM 82 C ILE A 9 -7.554 6.627 9.313 1.00 0.00 C ATOM 83 O ILE A 9 -8.262 6.168 10.208 1.00 0.00 O ATOM 84 CB ILE A 9 -7.834 8.533 7.623 1.00 0.00 C ATOM 85 CG1 ILE A 9 -8.080 10.039 7.513 1.00 0.00 C ATOM 86 CG2 ILE A 9 -9.015 7.719 7.090 1.00 0.00 C ATOM 87 CD1 ILE A 9 -8.053 10.493 6.052 1.00 0.00 C ATOM 0 H ILE A 9 -5.438 8.395 8.792 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.273 8.590 9.682 1.00 0.00 H new ATOM 0 HB ILE A 9 -6.973 8.300 6.996 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.044 10.287 7.957 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -7.320 10.578 8.079 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -9.232 8.021 6.065 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -8.765 6.658 7.111 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -9.891 7.897 7.714 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -8.230 11.567 6.001 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -7.079 10.265 5.618 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.830 9.970 5.494 1.00 0.00 H new ATOM 99 N LYS A 10 -6.797 5.899 8.506 1.00 0.00 N ATOM 100 CA LYS A 10 -6.749 4.452 8.628 1.00 0.00 C ATOM 101 C LYS A 10 -5.290 3.998 8.705 1.00 0.00 C ATOM 102 O LYS A 10 -4.445 4.484 7.955 1.00 0.00 O ATOM 103 CB LYS A 10 -7.539 3.792 7.497 1.00 0.00 C ATOM 104 CG LYS A 10 -7.919 2.355 7.858 1.00 0.00 C ATOM 105 CD LYS A 10 -6.849 1.369 7.386 1.00 0.00 C ATOM 106 CE LYS A 10 -7.485 0.094 6.828 1.00 0.00 C ATOM 107 NZ LYS A 10 -7.632 -0.921 7.895 1.00 0.00 N ATOM 0 H LYS A 10 -6.212 6.284 7.765 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.232 4.132 9.552 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.441 4.370 7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.945 3.796 6.583 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.047 2.269 8.937 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -8.877 2.103 7.403 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.231 1.837 6.619 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.190 1.117 8.217 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.461 0.324 6.400 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.869 -0.304 6.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.171 -1.733 7.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.691 -1.240 8.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.138 -0.505 8.703 1.00 0.00 H new ATOM 121 N MET A 11 -5.039 3.072 9.618 1.00 0.00 N ATOM 122 CA MET A 11 -3.696 2.548 9.803 1.00 0.00 C ATOM 123 C MET A 11 -3.700 1.018 9.801 1.00 0.00 C ATOM 124 O MET A 11 -4.629 0.395 10.314 1.00 0.00 O ATOM 125 CB MET A 11 -3.127 3.055 11.129 1.00 0.00 C ATOM 126 CG MET A 11 -3.369 4.557 11.291 1.00 0.00 C ATOM 127 SD MET A 11 -4.282 4.871 12.792 1.00 0.00 S ATOM 128 CE MET A 11 -5.704 5.715 12.120 1.00 0.00 C ATOM 0 H MET A 11 -5.743 2.671 10.238 1.00 0.00 H new ATOM 0 HA MET A 11 -3.075 2.893 8.976 1.00 0.00 H new ATOM 0 HB2 MET A 11 -3.589 2.517 11.957 1.00 0.00 H new ATOM 0 HB3 MET A 11 -2.058 2.849 11.173 1.00 0.00 H new ATOM 0 HG2 MET A 11 -2.416 5.086 11.318 1.00 0.00 H new ATOM 0 HG3 MET A 11 -3.922 4.939 10.433 1.00 0.00 H new ATOM 0 HE1 MET A 11 -6.163 6.329 12.895 1.00 0.00 H new ATOM 0 HE2 MET A 11 -5.392 6.351 11.291 1.00 0.00 H new ATOM 0 HE3 MET A 11 -6.427 4.982 11.763 1.00 0.00 H new ATOM 138 N GLY A 12 -2.651 0.456 9.218 1.00 0.00 N ATOM 139 CA GLY A 12 -2.522 -0.990 9.143 1.00 0.00 C ATOM 140 C GLY A 12 -1.205 -1.388 8.474 1.00 0.00 C ATOM 141 O GLY A 12 -0.546 -0.559 7.850 1.00 0.00 O ATOM 0 H GLY A 12 -1.883 0.975 8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.568 -1.415 10.145 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -3.359 -1.405 8.582 1.00 0.00 H new ATOM 145 N TRP A 13 -0.861 -2.659 8.628 1.00 0.00 N ATOM 146 CA TRP A 13 0.366 -3.177 8.048 1.00 0.00 C ATOM 147 C TRP A 13 0.010 -3.865 6.728 1.00 0.00 C ATOM 148 O TRP A 13 -0.824 -4.769 6.700 1.00 0.00 O ATOM 149 CB TRP A 13 1.088 -4.103 9.028 1.00 0.00 C ATOM 150 CG TRP A 13 2.002 -3.373 10.015 1.00 0.00 C ATOM 151 CD1 TRP A 13 1.670 -2.420 10.897 1.00 0.00 C ATOM 152 CD2 TRP A 13 3.421 -3.577 10.185 1.00 0.00 C ATOM 153 NE1 TRP A 13 2.766 -1.997 11.620 1.00 0.00 N ATOM 154 CE2 TRP A 13 3.865 -2.722 11.174 1.00 0.00 C ATOM 155 CE3 TRP A 13 4.300 -4.454 9.526 1.00 0.00 C ATOM 156 CZ2 TRP A 13 5.199 -2.661 11.591 1.00 0.00 C ATOM 157 CZ3 TRP A 13 5.630 -4.380 9.955 1.00 0.00 C ATOM 158 CH2 TRP A 13 6.093 -3.526 10.948 1.00 0.00 C ATOM 0 H TRP A 13 -1.411 -3.344 9.146 1.00 0.00 H new ATOM 0 HA TRP A 13 1.067 -2.368 7.842 1.00 0.00 H new ATOM 0 HB2 TRP A 13 0.346 -4.672 9.588 1.00 0.00 H new ATOM 0 HB3 TRP A 13 1.681 -4.822 8.463 1.00 0.00 H new ATOM 0 HD1 TRP A 13 0.670 -2.032 11.025 1.00 0.00 H new ATOM 0 HE1 TRP A 13 2.769 -1.283 12.348 1.00 0.00 H new ATOM 0 HE3 TRP A 13 3.975 -5.131 8.750 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 5.522 -1.983 12.367 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 6.347 -5.033 9.480 1.00 0.00 H new ATOM 0 HH2 TRP A 13 7.137 -3.529 11.223 1.00 0.00 H new ATOM 169 N LEU A 14 0.660 -3.411 5.667 1.00 0.00 N ATOM 170 CA LEU A 14 0.422 -3.971 4.347 1.00 0.00 C ATOM 171 C LEU A 14 1.749 -4.452 3.756 1.00 0.00 C ATOM 172 O LEU A 14 2.795 -3.851 3.998 1.00 0.00 O ATOM 173 CB LEU A 14 -0.316 -2.965 3.463 1.00 0.00 C ATOM 174 CG LEU A 14 -1.782 -2.707 3.819 1.00 0.00 C ATOM 175 CD1 LEU A 14 -2.304 -1.450 3.120 1.00 0.00 C ATOM 176 CD2 LEU A 14 -2.644 -3.933 3.513 1.00 0.00 C ATOM 0 H LEU A 14 1.351 -2.662 5.694 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.232 -4.840 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 14 0.219 -2.016 3.502 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -0.269 -3.315 2.432 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.846 -2.528 4.892 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.348 -1.290 3.390 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.713 -0.589 3.431 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.224 -1.574 2.040 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.681 -3.723 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.579 -4.168 2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -2.288 -4.783 4.095 1.00 0.00 H new ATOM 188 N LYS A 15 1.663 -5.531 2.992 1.00 0.00 N ATOM 189 CA LYS A 15 2.843 -6.100 2.364 1.00 0.00 C ATOM 190 C LYS A 15 3.045 -5.457 0.990 1.00 0.00 C ATOM 191 O LYS A 15 2.246 -5.668 0.079 1.00 0.00 O ATOM 192 CB LYS A 15 2.745 -7.626 2.320 1.00 0.00 C ATOM 193 CG LYS A 15 3.605 -8.263 3.414 1.00 0.00 C ATOM 194 CD LYS A 15 3.738 -9.771 3.198 1.00 0.00 C ATOM 195 CE LYS A 15 3.202 -10.547 4.404 1.00 0.00 C ATOM 196 NZ LYS A 15 4.166 -11.589 4.820 1.00 0.00 N ATOM 0 H LYS A 15 0.794 -6.026 2.794 1.00 0.00 H new ATOM 0 HA LYS A 15 3.732 -5.878 2.954 1.00 0.00 H new ATOM 0 HB2 LYS A 15 1.706 -7.931 2.446 1.00 0.00 H new ATOM 0 HB3 LYS A 15 3.067 -7.987 1.343 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.594 -7.804 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.160 -8.070 4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.192 -10.063 2.301 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.784 -10.027 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.018 -9.862 5.232 1.00 0.00 H new ATOM 0 HE3 LYS A 15 2.246 -11.007 4.152 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 3.787 -12.106 5.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 4.321 -12.252 4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 5.069 -11.143 5.080 1.00 0.00 H new ATOM 210 N LYS A 16 4.116 -4.685 0.885 1.00 0.00 N ATOM 211 CA LYS A 16 4.433 -4.010 -0.362 1.00 0.00 C ATOM 212 C LYS A 16 5.448 -4.845 -1.145 1.00 0.00 C ATOM 213 O LYS A 16 6.349 -5.443 -0.559 1.00 0.00 O ATOM 214 CB LYS A 16 4.893 -2.576 -0.094 1.00 0.00 C ATOM 215 CG LYS A 16 5.343 -1.893 -1.387 1.00 0.00 C ATOM 216 CD LYS A 16 5.881 -0.488 -1.107 1.00 0.00 C ATOM 217 CE LYS A 16 5.941 0.342 -2.390 1.00 0.00 C ATOM 218 NZ LYS A 16 6.643 -0.405 -3.458 1.00 0.00 N ATOM 0 H LYS A 16 4.776 -4.512 1.643 1.00 0.00 H new ATOM 0 HA LYS A 16 3.543 -3.923 -0.985 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.080 -2.008 0.357 1.00 0.00 H new ATOM 0 HB3 LYS A 16 5.714 -2.582 0.623 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.115 -2.492 -1.869 1.00 0.00 H new ATOM 0 HG3 LYS A 16 4.505 -1.834 -2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.244 0.010 -0.377 1.00 0.00 H new ATOM 0 HD3 LYS A 16 6.876 -0.557 -0.667 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.931 0.592 -2.716 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.456 1.283 -2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.945 0.255 -4.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.477 -0.881 -3.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.001 -1.115 -3.865 1.00 0.00 H new ATOM 232 N GLN A 17 5.269 -4.858 -2.458 1.00 0.00 N ATOM 233 CA GLN A 17 6.158 -5.610 -3.327 1.00 0.00 C ATOM 234 C GLN A 17 7.426 -4.803 -3.614 1.00 0.00 C ATOM 235 O GLN A 17 7.352 -3.635 -3.992 1.00 0.00 O ATOM 236 CB GLN A 17 5.452 -6.001 -4.627 1.00 0.00 C ATOM 237 CG GLN A 17 6.122 -7.217 -5.270 1.00 0.00 C ATOM 238 CD GLN A 17 5.154 -8.400 -5.347 1.00 0.00 C ATOM 239 OE1 GLN A 17 5.235 -9.352 -4.589 1.00 0.00 O ATOM 240 NE2 GLN A 17 4.236 -8.286 -6.303 1.00 0.00 N ATOM 0 H GLN A 17 4.521 -4.360 -2.941 1.00 0.00 H new ATOM 0 HA GLN A 17 6.443 -6.529 -2.816 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.405 -6.224 -4.424 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.470 -5.161 -5.322 1.00 0.00 H new ATOM 0 HG2 GLN A 17 6.467 -6.959 -6.271 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.002 -7.500 -4.692 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.225 -7.462 -6.903 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.543 -9.023 -6.436 1.00 0.00 H new ATOM 249 N ARG A 18 8.562 -5.459 -3.422 1.00 0.00 N ATOM 250 CA ARG A 18 9.845 -4.818 -3.655 1.00 0.00 C ATOM 251 C ARG A 18 10.132 -4.735 -5.156 1.00 0.00 C ATOM 252 O ARG A 18 9.487 -5.414 -5.953 1.00 0.00 O ATOM 253 CB ARG A 18 10.976 -5.585 -2.968 1.00 0.00 C ATOM 254 CG ARG A 18 12.172 -4.670 -2.695 1.00 0.00 C ATOM 255 CD ARG A 18 12.633 -4.791 -1.241 1.00 0.00 C ATOM 256 NE ARG A 18 11.979 -3.751 -0.415 1.00 0.00 N ATOM 257 CZ ARG A 18 12.380 -3.409 0.817 1.00 0.00 C ATOM 258 NH1 ARG A 18 13.434 -4.022 1.374 1.00 0.00 N ATOM 259 NH2 ARG A 18 11.726 -2.455 1.493 1.00 0.00 N ATOM 0 H ARG A 18 8.620 -6.428 -3.108 1.00 0.00 H new ATOM 0 HA ARG A 18 9.795 -3.813 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 18 10.616 -6.008 -2.030 1.00 0.00 H new ATOM 0 HB3 ARG A 18 11.288 -6.420 -3.596 1.00 0.00 H new ATOM 0 HG2 ARG A 18 12.993 -4.929 -3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 18 11.900 -3.636 -2.910 1.00 0.00 H new ATOM 0 HD2 ARG A 18 12.389 -5.781 -0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 18 13.716 -4.684 -1.184 1.00 0.00 H new ATOM 0 HE ARG A 18 11.173 -3.265 -0.808 1.00 0.00 H new ATOM 0 HH11 ARG A 18 13.931 -4.749 0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 18 13.739 -3.761 2.312 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.923 -1.989 1.070 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.031 -2.194 2.431 1.00 0.00 H new ATOM 273 N SER A 19 11.100 -3.896 -5.495 1.00 0.00 N ATOM 274 CA SER A 19 11.480 -3.715 -6.885 1.00 0.00 C ATOM 275 C SER A 19 12.272 -4.929 -7.374 1.00 0.00 C ATOM 276 O SER A 19 13.147 -5.429 -6.668 1.00 0.00 O ATOM 277 CB SER A 19 12.301 -2.437 -7.070 1.00 0.00 C ATOM 278 OG SER A 19 13.333 -2.320 -6.095 1.00 0.00 O ATOM 0 H SER A 19 11.632 -3.334 -4.831 1.00 0.00 H new ATOM 0 HA SER A 19 10.570 -3.620 -7.478 1.00 0.00 H new ATOM 0 HB2 SER A 19 12.742 -2.430 -8.067 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.643 -1.571 -7.007 1.00 0.00 H new ATOM 0 HG SER A 19 13.835 -1.493 -6.248 1.00 0.00 H new ATOM 284 N ILE A 20 11.937 -5.369 -8.578 1.00 0.00 N ATOM 285 CA ILE A 20 12.605 -6.516 -9.169 1.00 0.00 C ATOM 286 C ILE A 20 12.277 -7.768 -8.354 1.00 0.00 C ATOM 287 O ILE A 20 11.361 -8.514 -8.698 1.00 0.00 O ATOM 288 CB ILE A 20 14.106 -6.248 -9.307 1.00 0.00 C ATOM 289 CG1 ILE A 20 14.364 -4.985 -10.130 1.00 0.00 C ATOM 290 CG2 ILE A 20 14.829 -7.467 -9.885 1.00 0.00 C ATOM 291 CD1 ILE A 20 15.818 -4.925 -10.601 1.00 0.00 C ATOM 0 H ILE A 20 11.211 -4.952 -9.161 1.00 0.00 H new ATOM 0 HA ILE A 20 12.240 -6.690 -10.181 1.00 0.00 H new ATOM 0 HB ILE A 20 14.515 -6.072 -8.312 1.00 0.00 H new ATOM 0 HG12 ILE A 20 13.698 -4.966 -10.992 1.00 0.00 H new ATOM 0 HG13 ILE A 20 14.135 -4.103 -9.531 1.00 0.00 H new ATOM 0 HG21 ILE A 20 15.894 -7.251 -9.973 1.00 0.00 H new ATOM 0 HG22 ILE A 20 14.686 -8.322 -9.224 1.00 0.00 H new ATOM 0 HG23 ILE A 20 14.423 -7.698 -10.870 1.00 0.00 H new ATOM 0 HD11 ILE A 20 15.974 -4.017 -11.184 1.00 0.00 H new ATOM 0 HD12 ILE A 20 16.481 -4.919 -9.736 1.00 0.00 H new ATOM 0 HD13 ILE A 20 16.036 -5.796 -11.220 1.00 0.00 H new ATOM 303 N VAL A 21 13.041 -7.961 -7.289 1.00 0.00 N ATOM 304 CA VAL A 21 12.843 -9.110 -6.423 1.00 0.00 C ATOM 305 C VAL A 21 11.361 -9.216 -6.055 1.00 0.00 C ATOM 306 O VAL A 21 10.795 -8.292 -5.475 1.00 0.00 O ATOM 307 CB VAL A 21 13.756 -9.008 -5.200 1.00 0.00 C ATOM 308 CG1 VAL A 21 13.514 -7.701 -4.442 1.00 0.00 C ATOM 309 CG2 VAL A 21 13.578 -10.217 -4.280 1.00 0.00 C ATOM 0 H VAL A 21 13.799 -7.340 -7.006 1.00 0.00 H new ATOM 0 HA VAL A 21 13.117 -10.029 -6.940 1.00 0.00 H new ATOM 0 HB VAL A 21 14.788 -9.005 -5.552 1.00 0.00 H new ATOM 0 HG11 VAL A 21 14.176 -7.654 -3.577 1.00 0.00 H new ATOM 0 HG12 VAL A 21 13.716 -6.856 -5.100 1.00 0.00 H new ATOM 0 HG13 VAL A 21 12.477 -7.661 -4.108 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.239 -10.119 -3.419 1.00 0.00 H new ATOM 0 HG22 VAL A 21 12.544 -10.266 -3.940 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.825 -11.128 -4.825 1.00 0.00 H new ATOM 319 N LYS A 22 10.777 -10.352 -6.409 1.00 0.00 N ATOM 320 CA LYS A 22 9.372 -10.590 -6.123 1.00 0.00 C ATOM 321 C LYS A 22 9.220 -11.026 -4.664 1.00 0.00 C ATOM 322 O LYS A 22 8.881 -12.176 -4.389 1.00 0.00 O ATOM 323 CB LYS A 22 8.782 -11.584 -7.127 1.00 0.00 C ATOM 324 CG LYS A 22 7.857 -10.876 -8.119 1.00 0.00 C ATOM 325 CD LYS A 22 8.659 -10.232 -9.252 1.00 0.00 C ATOM 326 CE LYS A 22 7.977 -10.458 -10.603 1.00 0.00 C ATOM 327 NZ LYS A 22 8.884 -10.081 -11.710 1.00 0.00 N ATOM 0 H LYS A 22 11.250 -11.116 -6.891 1.00 0.00 H new ATOM 0 HA LYS A 22 8.797 -9.672 -6.243 1.00 0.00 H new ATOM 0 HB2 LYS A 22 9.587 -12.082 -7.667 1.00 0.00 H new ATOM 0 HB3 LYS A 22 8.228 -12.358 -6.596 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.146 -11.591 -8.533 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.277 -10.113 -7.600 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.763 -9.163 -9.067 1.00 0.00 H new ATOM 0 HD3 LYS A 22 9.665 -10.651 -9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.689 -11.505 -10.701 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.062 -9.869 -10.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.406 -10.240 -12.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 9.138 -9.076 -11.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 9.746 -10.661 -11.665 1.00 0.00 H new ATOM 341 N ASN A 23 9.477 -10.085 -3.769 1.00 0.00 N ATOM 342 CA ASN A 23 9.372 -10.357 -2.345 1.00 0.00 C ATOM 343 C ASN A 23 8.424 -9.342 -1.704 1.00 0.00 C ATOM 344 O ASN A 23 8.450 -8.161 -2.045 1.00 0.00 O ATOM 345 CB ASN A 23 10.734 -10.230 -1.659 1.00 0.00 C ATOM 346 CG ASN A 23 11.337 -11.608 -1.379 1.00 0.00 C ATOM 347 OD1 ASN A 23 12.215 -12.084 -2.081 1.00 0.00 O ATOM 348 ND2 ASN A 23 10.819 -12.221 -0.319 1.00 0.00 N ATOM 0 H ASN A 23 9.758 -9.132 -4.002 1.00 0.00 H new ATOM 0 HA ASN A 23 8.999 -11.374 -2.223 1.00 0.00 H new ATOM 0 HB2 ASN A 23 11.411 -9.654 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 23 10.625 -9.680 -0.724 1.00 0.00 H new ATOM 0 HD21 ASN A 23 11.155 -13.146 -0.050 1.00 0.00 H new ATOM 0 HD22 ASN A 23 10.086 -11.766 0.226 1.00 0.00 H new ATOM 355 N TRP A 24 7.608 -9.840 -0.787 1.00 0.00 N ATOM 356 CA TRP A 24 6.652 -8.992 -0.095 1.00 0.00 C ATOM 357 C TRP A 24 7.340 -8.419 1.146 1.00 0.00 C ATOM 358 O TRP A 24 8.098 -9.118 1.817 1.00 0.00 O ATOM 359 CB TRP A 24 5.372 -9.763 0.233 1.00 0.00 C ATOM 360 CG TRP A 24 4.599 -10.238 -0.999 1.00 0.00 C ATOM 361 CD1 TRP A 24 4.659 -11.434 -1.600 1.00 0.00 C ATOM 362 CD2 TRP A 24 3.640 -9.473 -1.760 1.00 0.00 C ATOM 363 NE1 TRP A 24 3.813 -11.497 -2.688 1.00 0.00 N ATOM 364 CE2 TRP A 24 3.174 -10.266 -2.789 1.00 0.00 C ATOM 365 CE3 TRP A 24 3.182 -8.156 -1.586 1.00 0.00 C ATOM 366 CZ2 TRP A 24 2.226 -9.831 -3.723 1.00 0.00 C ATOM 367 CZ3 TRP A 24 2.236 -7.736 -2.528 1.00 0.00 C ATOM 368 CH2 TRP A 24 1.756 -8.521 -3.569 1.00 0.00 C ATOM 0 H TRP A 24 7.589 -10.821 -0.507 1.00 0.00 H new ATOM 0 HA TRP A 24 6.338 -8.165 -0.732 1.00 0.00 H new ATOM 0 HB2 TRP A 24 5.628 -10.628 0.845 1.00 0.00 H new ATOM 0 HB3 TRP A 24 4.722 -9.128 0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 24 5.291 -12.247 -1.274 1.00 0.00 H new ATOM 0 HE1 TRP A 24 3.681 -12.299 -3.305 1.00 0.00 H new ATOM 0 HE3 TRP A 24 3.532 -7.518 -0.788 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 1.876 -10.471 -4.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 1.852 -6.730 -2.439 1.00 0.00 H new ATOM 0 HH2 TRP A 24 1.024 -8.123 -4.256 1.00 0.00 H new ATOM 379 N GLN A 25 7.051 -7.154 1.413 1.00 0.00 N ATOM 380 CA GLN A 25 7.632 -6.480 2.561 1.00 0.00 C ATOM 381 C GLN A 25 6.529 -5.938 3.473 1.00 0.00 C ATOM 382 O GLN A 25 5.794 -5.028 3.091 1.00 0.00 O ATOM 383 CB GLN A 25 8.577 -5.361 2.120 1.00 0.00 C ATOM 384 CG GLN A 25 9.202 -4.662 3.329 1.00 0.00 C ATOM 385 CD GLN A 25 10.532 -5.313 3.712 1.00 0.00 C ATOM 386 OE1 GLN A 25 11.569 -5.064 3.119 1.00 0.00 O ATOM 387 NE2 GLN A 25 10.445 -6.160 4.734 1.00 0.00 N ATOM 0 H GLN A 25 6.422 -6.578 0.854 1.00 0.00 H new ATOM 0 HA GLN A 25 8.219 -7.205 3.124 1.00 0.00 H new ATOM 0 HB2 GLN A 25 9.363 -5.773 1.487 1.00 0.00 H new ATOM 0 HB3 GLN A 25 8.031 -4.635 1.518 1.00 0.00 H new ATOM 0 HG2 GLN A 25 9.361 -3.608 3.102 1.00 0.00 H new ATOM 0 HG3 GLN A 25 8.515 -4.706 4.174 1.00 0.00 H new ATOM 0 HE21 GLN A 25 9.545 -6.323 5.186 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.278 -6.646 5.066 1.00 0.00 H new ATOM 396 N GLN A 26 6.448 -6.520 4.660 1.00 0.00 N ATOM 397 CA GLN A 26 5.447 -6.106 5.629 1.00 0.00 C ATOM 398 C GLN A 26 5.808 -4.740 6.216 1.00 0.00 C ATOM 399 O GLN A 26 6.717 -4.634 7.038 1.00 0.00 O ATOM 400 CB GLN A 26 5.288 -7.153 6.734 1.00 0.00 C ATOM 401 CG GLN A 26 3.821 -7.300 7.143 1.00 0.00 C ATOM 402 CD GLN A 26 3.699 -7.667 8.623 1.00 0.00 C ATOM 403 OE1 GLN A 26 4.679 -7.858 9.325 1.00 0.00 O ATOM 404 NE2 GLN A 26 2.445 -7.756 9.057 1.00 0.00 N ATOM 0 H GLN A 26 7.059 -7.275 4.973 1.00 0.00 H new ATOM 0 HA GLN A 26 4.489 -6.017 5.117 1.00 0.00 H new ATOM 0 HB2 GLN A 26 5.671 -8.113 6.388 1.00 0.00 H new ATOM 0 HB3 GLN A 26 5.884 -6.866 7.600 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.291 -6.367 6.951 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.345 -8.068 6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.670 -7.584 8.416 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.258 -7.997 10.030 1.00 0.00 H new ATOM 413 N ARG A 27 5.078 -3.728 5.770 1.00 0.00 N ATOM 414 CA ARG A 27 5.310 -2.373 6.240 1.00 0.00 C ATOM 415 C ARG A 27 4.040 -1.809 6.880 1.00 0.00 C ATOM 416 O ARG A 27 2.962 -2.385 6.743 1.00 0.00 O ATOM 417 CB ARG A 27 5.745 -1.459 5.093 1.00 0.00 C ATOM 418 CG ARG A 27 6.929 -0.584 5.509 1.00 0.00 C ATOM 419 CD ARG A 27 8.257 -1.230 5.107 1.00 0.00 C ATOM 420 NE ARG A 27 8.636 -2.264 6.096 1.00 0.00 N ATOM 421 CZ ARG A 27 9.730 -3.031 5.998 1.00 0.00 C ATOM 422 NH1 ARG A 27 10.559 -2.886 4.955 1.00 0.00 N ATOM 423 NH2 ARG A 27 9.994 -3.945 6.942 1.00 0.00 N ATOM 0 H ARG A 27 4.325 -3.820 5.088 1.00 0.00 H new ATOM 0 HA ARG A 27 6.108 -2.411 6.981 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.020 -2.061 4.227 1.00 0.00 H new ATOM 0 HB3 ARG A 27 4.910 -0.827 4.790 1.00 0.00 H new ATOM 0 HG2 ARG A 27 6.842 0.397 5.043 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.909 -0.427 6.587 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.169 -1.677 4.117 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.037 -0.471 5.045 1.00 0.00 H new ATOM 0 HE ARG A 27 8.026 -2.401 6.902 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.357 -2.192 4.236 1.00 0.00 H new ATOM 0 HH12 ARG A 27 11.392 -3.470 4.881 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.362 -4.057 7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 27 10.827 -4.529 6.868 1.00 0.00 H new ATOM 437 N TYR A 28 4.209 -0.687 7.565 1.00 0.00 N ATOM 438 CA TYR A 28 3.090 -0.038 8.225 1.00 0.00 C ATOM 439 C TYR A 28 2.576 1.143 7.400 1.00 0.00 C ATOM 440 O TYR A 28 3.211 2.196 7.353 1.00 0.00 O ATOM 441 CB TYR A 28 3.632 0.484 9.558 1.00 0.00 C ATOM 442 CG TYR A 28 2.574 1.146 10.443 1.00 0.00 C ATOM 443 CD1 TYR A 28 1.236 0.872 10.242 1.00 0.00 C ATOM 444 CD2 TYR A 28 2.958 2.016 11.443 1.00 0.00 C ATOM 445 CE1 TYR A 28 0.241 1.495 11.076 1.00 0.00 C ATOM 446 CE2 TYR A 28 1.962 2.640 12.276 1.00 0.00 C ATOM 447 CZ TYR A 28 0.653 2.348 12.052 1.00 0.00 C ATOM 448 OH TYR A 28 -0.287 2.937 12.839 1.00 0.00 O ATOM 0 H TYR A 28 5.104 -0.211 7.677 1.00 0.00 H new ATOM 0 HA TYR A 28 2.263 -0.737 8.354 1.00 0.00 H new ATOM 0 HB2 TYR A 28 4.082 -0.344 10.105 1.00 0.00 H new ATOM 0 HB3 TYR A 28 4.426 1.203 9.359 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.936 0.191 9.460 1.00 0.00 H new ATOM 0 HD2 TYR A 28 4.005 2.229 11.601 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -0.809 1.289 10.930 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.249 3.324 13.061 1.00 0.00 H new ATOM 0 HH TYR A 28 0.152 3.520 13.493 1.00 0.00 H new ATOM 458 N PHE A 29 1.430 0.930 6.770 1.00 0.00 N ATOM 459 CA PHE A 29 0.824 1.964 5.948 1.00 0.00 C ATOM 460 C PHE A 29 -0.221 2.752 6.742 1.00 0.00 C ATOM 461 O PHE A 29 -1.031 2.167 7.460 1.00 0.00 O ATOM 462 CB PHE A 29 0.133 1.259 4.779 1.00 0.00 C ATOM 463 CG PHE A 29 1.065 0.937 3.609 1.00 0.00 C ATOM 464 CD1 PHE A 29 1.821 -0.193 3.632 1.00 0.00 C ATOM 465 CD2 PHE A 29 1.137 1.781 2.545 1.00 0.00 C ATOM 466 CE1 PHE A 29 2.686 -0.491 2.546 1.00 0.00 C ATOM 467 CE2 PHE A 29 2.001 1.483 1.459 1.00 0.00 C ATOM 468 CZ PHE A 29 2.757 0.353 1.482 1.00 0.00 C ATOM 0 H PHE A 29 0.905 0.057 6.812 1.00 0.00 H new ATOM 0 HA PHE A 29 1.587 2.664 5.607 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -0.314 0.333 5.140 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.682 1.887 4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.764 -0.864 4.476 1.00 0.00 H new ATOM 0 HD2 PHE A 29 0.536 2.678 2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.287 -1.388 2.565 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.058 2.154 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.414 0.126 0.655 1.00 0.00 H new ATOM 478 N VAL A 30 -0.168 4.066 6.585 1.00 0.00 N ATOM 479 CA VAL A 30 -1.099 4.940 7.278 1.00 0.00 C ATOM 480 C VAL A 30 -1.772 5.868 6.264 1.00 0.00 C ATOM 481 O VAL A 30 -1.153 6.272 5.282 1.00 0.00 O ATOM 482 CB VAL A 30 -0.375 5.698 8.393 1.00 0.00 C ATOM 483 CG1 VAL A 30 -1.234 6.849 8.921 1.00 0.00 C ATOM 484 CG2 VAL A 30 0.030 4.752 9.525 1.00 0.00 C ATOM 0 H VAL A 30 0.505 4.547 5.988 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.885 4.357 7.757 1.00 0.00 H new ATOM 0 HB VAL A 30 0.535 6.125 7.972 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.696 7.371 9.712 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.450 7.544 8.109 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.169 6.453 9.318 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.543 5.316 10.304 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.860 4.282 9.943 1.00 0.00 H new ATOM 0 HG23 VAL A 30 0.697 3.983 9.135 1.00 0.00 H new ATOM 494 N LEU A 31 -3.031 6.177 6.538 1.00 0.00 N ATOM 495 CA LEU A 31 -3.794 7.050 5.662 1.00 0.00 C ATOM 496 C LEU A 31 -4.030 8.389 6.362 1.00 0.00 C ATOM 497 O LEU A 31 -4.471 8.425 7.510 1.00 0.00 O ATOM 498 CB LEU A 31 -5.082 6.359 5.208 1.00 0.00 C ATOM 499 CG LEU A 31 -5.445 6.522 3.731 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.857 5.183 3.116 1.00 0.00 C ATOM 501 CD2 LEU A 31 -6.523 7.593 3.547 1.00 0.00 C ATOM 0 H LEU A 31 -3.542 5.839 7.354 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.233 7.261 4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.996 5.294 5.425 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.907 6.741 5.809 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.558 6.862 3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.110 5.327 2.066 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.031 4.476 3.197 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.724 4.790 3.647 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -6.763 7.689 2.488 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -7.419 7.306 4.098 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.156 8.547 3.924 1.00 0.00 H new ATOM 513 N ARG A 32 -3.725 9.459 5.642 1.00 0.00 N ATOM 514 CA ARG A 32 -3.898 10.797 6.180 1.00 0.00 C ATOM 515 C ARG A 32 -4.194 11.788 5.052 1.00 0.00 C ATOM 516 O ARG A 32 -3.650 11.667 3.956 1.00 0.00 O ATOM 517 CB ARG A 32 -2.647 11.253 6.935 1.00 0.00 C ATOM 518 CG ARG A 32 -2.809 11.041 8.441 1.00 0.00 C ATOM 519 CD ARG A 32 -1.468 11.190 9.163 1.00 0.00 C ATOM 520 NE ARG A 32 -1.485 12.399 10.017 1.00 0.00 N ATOM 521 CZ ARG A 32 -1.229 13.637 9.573 1.00 0.00 C ATOM 522 NH1 ARG A 32 -0.934 13.837 8.281 1.00 0.00 N ATOM 523 NH2 ARG A 32 -1.267 14.674 10.420 1.00 0.00 N ATOM 0 H ARG A 32 -3.359 9.426 4.690 1.00 0.00 H new ATOM 0 HA ARG A 32 -4.738 10.770 6.874 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.779 10.699 6.577 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -2.458 12.307 6.731 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.522 11.763 8.839 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.220 10.049 8.630 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.273 10.307 9.772 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -0.659 11.260 8.435 1.00 0.00 H new ATOM 0 HE ARG A 32 -1.706 12.282 11.006 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -0.905 13.047 7.636 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -0.739 14.779 7.942 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -1.491 14.521 11.403 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -1.072 15.616 10.082 1.00 0.00 H new ATOM 537 N ALA A 33 -5.056 12.746 5.361 1.00 0.00 N ATOM 538 CA ALA A 33 -5.431 13.757 4.387 1.00 0.00 C ATOM 539 C ALA A 33 -5.667 13.090 3.030 1.00 0.00 C ATOM 540 O ALA A 33 -6.246 12.007 2.960 1.00 0.00 O ATOM 541 CB ALA A 33 -4.347 14.835 4.326 1.00 0.00 C ATOM 0 H ALA A 33 -5.505 12.843 6.272 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.360 14.245 4.680 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -4.629 15.593 3.595 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.239 15.298 5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.400 14.382 4.033 1.00 0.00 H new ATOM 547 N GLN A 34 -5.206 13.765 1.987 1.00 0.00 N ATOM 548 CA GLN A 34 -5.360 13.251 0.637 1.00 0.00 C ATOM 549 C GLN A 34 -4.033 12.678 0.133 1.00 0.00 C ATOM 550 O GLN A 34 -3.637 12.929 -1.005 1.00 0.00 O ATOM 551 CB GLN A 34 -5.883 14.336 -0.307 1.00 0.00 C ATOM 552 CG GLN A 34 -7.137 15.001 0.264 1.00 0.00 C ATOM 553 CD GLN A 34 -7.339 16.394 -0.335 1.00 0.00 C ATOM 554 OE1 GLN A 34 -8.077 16.588 -1.287 1.00 0.00 O ATOM 555 NE2 GLN A 34 -6.644 17.351 0.275 1.00 0.00 N ATOM 0 H GLN A 34 -4.726 14.663 2.050 1.00 0.00 H new ATOM 0 HA GLN A 34 -6.096 12.448 0.657 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.110 15.087 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.109 13.899 -1.279 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -8.009 14.381 0.055 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.052 15.076 1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -6.044 17.120 1.067 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -6.711 18.316 -0.049 1.00 0.00 H new ATOM 564 N GLN A 35 -3.384 11.920 1.004 1.00 0.00 N ATOM 565 CA GLN A 35 -2.110 11.310 0.661 1.00 0.00 C ATOM 566 C GLN A 35 -1.907 10.021 1.459 1.00 0.00 C ATOM 567 O GLN A 35 -2.270 9.949 2.632 1.00 0.00 O ATOM 568 CB GLN A 35 -0.955 12.286 0.893 1.00 0.00 C ATOM 569 CG GLN A 35 -0.551 12.978 -0.410 1.00 0.00 C ATOM 570 CD GLN A 35 0.775 13.725 -0.247 1.00 0.00 C ATOM 571 OE1 GLN A 35 1.814 13.145 0.022 1.00 0.00 O ATOM 572 NE2 GLN A 35 0.680 15.040 -0.424 1.00 0.00 N ATOM 0 H GLN A 35 -3.716 11.714 1.946 1.00 0.00 H new ATOM 0 HA GLN A 35 -2.123 11.059 -0.400 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -1.249 13.034 1.630 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -0.099 11.751 1.305 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -0.460 12.238 -1.206 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -1.331 13.677 -0.712 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -0.222 15.461 -0.648 1.00 0.00 H new ATOM 0 HE22 GLN A 35 1.509 15.628 -0.336 1.00 0.00 H new ATOM 581 N LEU A 36 -1.328 9.034 0.791 1.00 0.00 N ATOM 582 CA LEU A 36 -1.073 7.751 1.423 1.00 0.00 C ATOM 583 C LEU A 36 0.392 7.684 1.858 1.00 0.00 C ATOM 584 O LEU A 36 1.292 7.951 1.064 1.00 0.00 O ATOM 585 CB LEU A 36 -1.493 6.605 0.500 1.00 0.00 C ATOM 586 CG LEU A 36 -1.443 5.202 1.107 1.00 0.00 C ATOM 587 CD1 LEU A 36 0.001 4.763 1.357 1.00 0.00 C ATOM 588 CD2 LEU A 36 -2.294 5.123 2.375 1.00 0.00 C ATOM 0 H LEU A 36 -1.028 9.097 -0.182 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.679 7.643 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -2.510 6.795 0.158 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.852 6.621 -0.381 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.871 4.504 0.388 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.007 3.762 1.789 1.00 0.00 H new ATOM 0 HD12 LEU A 36 0.547 4.755 0.414 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.479 5.459 2.047 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.241 4.115 2.786 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -1.919 5.835 3.110 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.330 5.362 2.134 1.00 0.00 H new ATOM 600 N TYR A 37 0.586 7.326 3.119 1.00 0.00 N ATOM 601 CA TYR A 37 1.926 7.221 3.670 1.00 0.00 C ATOM 602 C TYR A 37 2.185 5.817 4.220 1.00 0.00 C ATOM 603 O TYR A 37 1.247 5.055 4.453 1.00 0.00 O ATOM 604 CB TYR A 37 1.990 8.227 4.821 1.00 0.00 C ATOM 605 CG TYR A 37 1.363 9.584 4.496 1.00 0.00 C ATOM 606 CD1 TYR A 37 2.132 10.582 3.933 1.00 0.00 C ATOM 607 CD2 TYR A 37 0.029 9.811 4.767 1.00 0.00 C ATOM 608 CE1 TYR A 37 1.543 11.860 3.627 1.00 0.00 C ATOM 609 CE2 TYR A 37 -0.561 11.088 4.461 1.00 0.00 C ATOM 610 CZ TYR A 37 0.225 12.050 3.906 1.00 0.00 C ATOM 611 OH TYR A 37 -0.332 13.257 3.618 1.00 0.00 O ATOM 0 H TYR A 37 -0.163 7.105 3.775 1.00 0.00 H new ATOM 0 HA TYR A 37 2.673 7.418 2.901 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.485 7.803 5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.033 8.378 5.101 1.00 0.00 H new ATOM 0 HD1 TYR A 37 3.176 10.405 3.722 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.573 9.030 5.209 1.00 0.00 H new ATOM 0 HE1 TYR A 37 2.134 12.649 3.186 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.604 11.278 4.667 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.279 13.249 3.870 1.00 0.00 H new ATOM 621 N TYR A 38 3.461 5.517 4.413 1.00 0.00 N ATOM 622 CA TYR A 38 3.854 4.218 4.932 1.00 0.00 C ATOM 623 C TYR A 38 5.263 4.268 5.525 1.00 0.00 C ATOM 624 O TYR A 38 6.185 4.792 4.902 1.00 0.00 O ATOM 625 CB TYR A 38 3.851 3.267 3.734 1.00 0.00 C ATOM 626 CG TYR A 38 5.171 3.237 2.961 1.00 0.00 C ATOM 627 CD1 TYR A 38 6.285 2.644 3.520 1.00 0.00 C ATOM 628 CD2 TYR A 38 5.248 3.802 1.704 1.00 0.00 C ATOM 629 CE1 TYR A 38 7.527 2.615 2.792 1.00 0.00 C ATOM 630 CE2 TYR A 38 6.490 3.774 0.976 1.00 0.00 C ATOM 631 CZ TYR A 38 7.568 3.182 1.556 1.00 0.00 C ATOM 632 OH TYR A 38 8.742 3.155 0.869 1.00 0.00 O ATOM 0 H TYR A 38 4.236 6.151 4.219 1.00 0.00 H new ATOM 0 HA TYR A 38 3.174 3.898 5.721 1.00 0.00 H new ATOM 0 HB2 TYR A 38 3.623 2.260 4.083 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.050 3.558 3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 38 6.225 2.202 4.503 1.00 0.00 H new ATOM 0 HD2 TYR A 38 4.376 4.265 1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 38 8.406 2.154 3.217 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.564 4.213 -0.008 1.00 0.00 H new ATOM 0 HH TYR A 38 8.624 3.595 0.002 1.00 0.00 H new ATOM 642 N TYR A 39 5.386 3.716 6.724 1.00 0.00 N ATOM 643 CA TYR A 39 6.668 3.691 7.408 1.00 0.00 C ATOM 644 C TYR A 39 7.145 2.254 7.627 1.00 0.00 C ATOM 645 O TYR A 39 6.333 1.341 7.763 1.00 0.00 O ATOM 646 CB TYR A 39 6.432 4.350 8.768 1.00 0.00 C ATOM 647 CG TYR A 39 5.629 5.651 8.699 1.00 0.00 C ATOM 648 CD1 TYR A 39 4.267 5.610 8.479 1.00 0.00 C ATOM 649 CD2 TYR A 39 6.267 6.865 8.856 1.00 0.00 C ATOM 650 CE1 TYR A 39 3.511 6.834 8.414 1.00 0.00 C ATOM 651 CE2 TYR A 39 5.511 8.089 8.791 1.00 0.00 C ATOM 652 CZ TYR A 39 4.170 8.013 8.573 1.00 0.00 C ATOM 653 OH TYR A 39 3.456 9.169 8.512 1.00 0.00 O ATOM 0 H TYR A 39 4.619 3.283 7.239 1.00 0.00 H new ATOM 0 HA TYR A 39 7.427 4.206 6.819 1.00 0.00 H new ATOM 0 HB2 TYR A 39 5.909 3.646 9.415 1.00 0.00 H new ATOM 0 HB3 TYR A 39 7.396 4.555 9.233 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.768 4.660 8.356 1.00 0.00 H new ATOM 0 HD2 TYR A 39 7.333 6.897 9.028 1.00 0.00 H new ATOM 0 HE1 TYR A 39 2.445 6.816 8.243 1.00 0.00 H new ATOM 0 HE2 TYR A 39 5.997 9.046 8.913 1.00 0.00 H new ATOM 0 HH TYR A 39 4.057 9.932 8.644 1.00 0.00 H new ATOM 663 N LYS A 40 8.461 2.099 7.654 1.00 0.00 N ATOM 664 CA LYS A 40 9.056 0.789 7.853 1.00 0.00 C ATOM 665 C LYS A 40 8.488 0.165 9.130 1.00 0.00 C ATOM 666 O LYS A 40 8.456 -1.057 9.267 1.00 0.00 O ATOM 667 CB LYS A 40 10.583 0.886 7.843 1.00 0.00 C ATOM 668 CG LYS A 40 11.106 1.143 6.428 1.00 0.00 C ATOM 669 CD LYS A 40 11.734 2.534 6.320 1.00 0.00 C ATOM 670 CE LYS A 40 12.859 2.709 7.342 1.00 0.00 C ATOM 671 NZ LYS A 40 14.167 2.823 6.659 1.00 0.00 N ATOM 0 H LYS A 40 9.132 2.859 7.541 1.00 0.00 H new ATOM 0 HA LYS A 40 8.797 0.124 7.029 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.904 1.690 8.505 1.00 0.00 H new ATOM 0 HB3 LYS A 40 11.012 -0.038 8.231 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.845 0.385 6.166 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.289 1.052 5.712 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.126 2.683 5.314 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.970 3.295 6.481 1.00 0.00 H new ATOM 0 HE2 LYS A 40 12.677 3.600 7.943 1.00 0.00 H new ATOM 0 HE3 LYS A 40 12.872 1.860 8.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 14.927 2.856 7.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.308 2.000 6.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 14.187 3.693 6.090 1.00 0.00 H new ATOM 685 N ASP A 41 8.054 1.033 10.032 1.00 0.00 N ATOM 686 CA ASP A 41 7.489 0.582 11.293 1.00 0.00 C ATOM 687 C ASP A 41 6.752 1.744 11.961 1.00 0.00 C ATOM 688 O ASP A 41 6.596 2.809 11.365 1.00 0.00 O ATOM 689 CB ASP A 41 8.585 0.106 12.249 1.00 0.00 C ATOM 690 CG ASP A 41 8.159 -0.991 13.226 1.00 0.00 C ATOM 691 OD1 ASP A 41 7.061 -0.842 13.803 1.00 0.00 O ATOM 692 OD2 ASP A 41 8.942 -1.955 13.372 1.00 0.00 O ATOM 0 H ASP A 41 8.082 2.046 9.915 1.00 0.00 H new ATOM 0 HA ASP A 41 6.810 -0.244 11.082 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.426 -0.260 11.660 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.944 0.962 12.821 1.00 0.00 H new ATOM 697 N GLU A 42 6.318 1.500 13.188 1.00 0.00 N ATOM 698 CA GLU A 42 5.600 2.514 13.944 1.00 0.00 C ATOM 699 C GLU A 42 6.518 3.141 14.994 1.00 0.00 C ATOM 700 O GLU A 42 6.112 3.340 16.139 1.00 0.00 O ATOM 701 CB GLU A 42 4.344 1.927 14.592 1.00 0.00 C ATOM 702 CG GLU A 42 4.700 0.773 15.532 1.00 0.00 C ATOM 703 CD GLU A 42 4.256 1.076 16.964 1.00 0.00 C ATOM 704 OE1 GLU A 42 4.216 2.278 17.304 1.00 0.00 O ATOM 705 OE2 GLU A 42 3.968 0.098 17.687 1.00 0.00 O ATOM 0 H GLU A 42 6.449 0.615 13.679 1.00 0.00 H new ATOM 0 HA GLU A 42 5.281 3.296 13.255 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.820 2.705 15.147 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.663 1.573 13.818 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.222 -0.144 15.186 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.776 0.600 15.510 1.00 0.00 H new ATOM 712 N GLU A 43 7.737 3.437 14.569 1.00 0.00 N ATOM 713 CA GLU A 43 8.716 4.038 15.459 1.00 0.00 C ATOM 714 C GLU A 43 9.486 5.142 14.732 1.00 0.00 C ATOM 715 O GLU A 43 10.612 5.468 15.106 1.00 0.00 O ATOM 716 CB GLU A 43 9.670 2.981 16.019 1.00 0.00 C ATOM 717 CG GLU A 43 9.810 3.118 17.536 1.00 0.00 C ATOM 718 CD GLU A 43 11.162 2.582 18.012 1.00 0.00 C ATOM 719 OE1 GLU A 43 11.432 1.395 17.730 1.00 0.00 O ATOM 720 OE2 GLU A 43 11.893 3.371 18.649 1.00 0.00 O ATOM 0 H GLU A 43 8.070 3.272 13.619 1.00 0.00 H new ATOM 0 HA GLU A 43 8.187 4.485 16.301 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.301 1.986 15.773 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.648 3.083 15.549 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.709 4.165 17.821 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.005 2.574 18.030 1.00 0.00 H new ATOM 727 N ASP A 44 8.849 5.688 13.707 1.00 0.00 N ATOM 728 CA ASP A 44 9.460 6.749 12.925 1.00 0.00 C ATOM 729 C ASP A 44 8.579 7.998 12.990 1.00 0.00 C ATOM 730 O ASP A 44 7.568 8.013 13.691 1.00 0.00 O ATOM 731 CB ASP A 44 9.596 6.342 11.456 1.00 0.00 C ATOM 732 CG ASP A 44 10.862 5.553 11.118 1.00 0.00 C ATOM 733 OD1 ASP A 44 11.944 6.003 11.552 1.00 0.00 O ATOM 734 OD2 ASP A 44 10.719 4.517 10.433 1.00 0.00 O ATOM 0 H ASP A 44 7.915 5.415 13.400 1.00 0.00 H new ATOM 0 HA ASP A 44 10.449 6.945 13.338 1.00 0.00 H new ATOM 0 HB2 ASP A 44 8.728 5.744 11.179 1.00 0.00 H new ATOM 0 HB3 ASP A 44 9.572 7.242 10.842 1.00 0.00 H new ATOM 739 N THR A 45 8.994 9.016 12.250 1.00 0.00 N ATOM 740 CA THR A 45 8.255 10.266 12.215 1.00 0.00 C ATOM 741 C THR A 45 7.965 10.674 10.769 1.00 0.00 C ATOM 742 O THR A 45 6.842 11.053 10.440 1.00 0.00 O ATOM 743 CB THR A 45 9.057 11.311 12.993 1.00 0.00 C ATOM 744 OG1 THR A 45 10.365 11.231 12.434 1.00 0.00 O ATOM 745 CG2 THR A 45 9.254 10.925 14.460 1.00 0.00 C ATOM 0 H THR A 45 9.833 9.000 11.670 1.00 0.00 H new ATOM 0 HA THR A 45 7.280 10.163 12.692 1.00 0.00 H new ATOM 0 HB THR A 45 8.549 12.274 12.937 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.951 11.877 12.880 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.829 11.700 14.966 1.00 0.00 H new ATOM 0 HG22 THR A 45 8.282 10.821 14.942 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.791 9.978 14.518 1.00 0.00 H new ATOM 753 N LYS A 46 8.998 10.584 9.945 1.00 0.00 N ATOM 754 CA LYS A 46 8.869 10.939 8.542 1.00 0.00 C ATOM 755 C LYS A 46 8.454 9.703 7.743 1.00 0.00 C ATOM 756 O LYS A 46 8.949 8.604 7.990 1.00 0.00 O ATOM 757 CB LYS A 46 10.155 11.596 8.035 1.00 0.00 C ATOM 758 CG LYS A 46 9.894 13.032 7.577 1.00 0.00 C ATOM 759 CD LYS A 46 11.207 13.761 7.284 1.00 0.00 C ATOM 760 CE LYS A 46 11.251 15.117 7.992 1.00 0.00 C ATOM 761 NZ LYS A 46 10.512 16.134 7.211 1.00 0.00 N ATOM 0 H LYS A 46 9.928 10.270 10.222 1.00 0.00 H new ATOM 0 HA LYS A 46 8.084 11.683 8.408 1.00 0.00 H new ATOM 0 HB2 LYS A 46 10.905 11.594 8.826 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.562 11.015 7.208 1.00 0.00 H new ATOM 0 HG2 LYS A 46 9.271 13.025 6.683 1.00 0.00 H new ATOM 0 HG3 LYS A 46 9.340 13.568 8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.048 13.149 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 46 11.316 13.904 6.209 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.816 15.028 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.286 15.432 8.123 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 10.552 17.048 7.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 10.944 16.230 6.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 9.520 15.839 7.108 1.00 0.00 H new ATOM 775 N PRO A 47 7.525 9.928 6.776 1.00 0.00 N ATOM 776 CA PRO A 47 7.037 8.845 5.939 1.00 0.00 C ATOM 777 C PRO A 47 8.080 8.449 4.893 1.00 0.00 C ATOM 778 O PRO A 47 8.876 9.280 4.458 1.00 0.00 O ATOM 779 CB PRO A 47 5.750 9.371 5.326 1.00 0.00 C ATOM 780 CG PRO A 47 5.806 10.883 5.471 1.00 0.00 C ATOM 781 CD PRO A 47 6.916 11.216 6.455 1.00 0.00 C ATOM 0 HA PRO A 47 6.849 7.930 6.501 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.670 9.082 4.278 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.878 8.962 5.837 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.998 11.352 4.506 1.00 0.00 H new ATOM 0 HG3 PRO A 47 4.851 11.268 5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.643 11.899 6.016 1.00 0.00 H new ATOM 0 HD3 PRO A 47 6.521 11.701 7.348 1.00 0.00 H new ATOM 789 N GLN A 48 8.042 7.178 4.518 1.00 0.00 N ATOM 790 CA GLN A 48 8.974 6.661 3.530 1.00 0.00 C ATOM 791 C GLN A 48 8.519 7.042 2.120 1.00 0.00 C ATOM 792 O GLN A 48 9.319 7.503 1.308 1.00 0.00 O ATOM 793 CB GLN A 48 9.132 5.146 3.665 1.00 0.00 C ATOM 794 CG GLN A 48 10.470 4.789 4.315 1.00 0.00 C ATOM 795 CD GLN A 48 11.633 5.454 3.576 1.00 0.00 C ATOM 796 OE1 GLN A 48 11.471 6.067 2.534 1.00 0.00 O ATOM 797 NE2 GLN A 48 12.812 5.299 4.172 1.00 0.00 N ATOM 0 H GLN A 48 7.381 6.491 4.881 1.00 0.00 H new ATOM 0 HA GLN A 48 9.950 7.112 3.709 1.00 0.00 H new ATOM 0 HB2 GLN A 48 8.314 4.744 4.263 1.00 0.00 H new ATOM 0 HB3 GLN A 48 9.066 4.681 2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 48 10.468 5.106 5.358 1.00 0.00 H new ATOM 0 HG3 GLN A 48 10.603 3.707 4.311 1.00 0.00 H new ATOM 0 HE21 GLN A 48 12.878 4.774 5.044 1.00 0.00 H new ATOM 0 HE22 GLN A 48 13.650 5.706 3.757 1.00 0.00 H new ATOM 806 N GLY A 49 7.234 6.834 1.872 1.00 0.00 N ATOM 807 CA GLY A 49 6.662 7.150 0.574 1.00 0.00 C ATOM 808 C GLY A 49 5.407 8.012 0.722 1.00 0.00 C ATOM 809 O GLY A 49 4.919 8.218 1.833 1.00 0.00 O ATOM 0 H GLY A 49 6.573 6.451 2.548 1.00 0.00 H new ATOM 0 HA2 GLY A 49 7.399 7.676 -0.034 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.414 6.228 0.048 1.00 0.00 H new ATOM 813 N CYS A 50 4.920 8.493 -0.412 1.00 0.00 N ATOM 814 CA CYS A 50 3.731 9.328 -0.422 1.00 0.00 C ATOM 815 C CYS A 50 3.011 9.122 -1.756 1.00 0.00 C ATOM 816 O CYS A 50 3.617 9.249 -2.819 1.00 0.00 O ATOM 817 CB CYS A 50 4.072 10.800 -0.178 1.00 0.00 C ATOM 818 SG CYS A 50 5.129 11.430 -1.532 1.00 0.00 S ATOM 0 H CYS A 50 5.327 8.320 -1.331 1.00 0.00 H new ATOM 0 HA CYS A 50 3.071 9.036 0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.157 11.389 -0.116 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.586 10.909 0.777 1.00 0.00 H new ATOM 0 HG CYS A 50 4.887 10.760 -2.619 1.00 0.00 H new ATOM 824 N MET A 51 1.728 8.809 -1.657 1.00 0.00 N ATOM 825 CA MET A 51 0.918 8.584 -2.843 1.00 0.00 C ATOM 826 C MET A 51 -0.253 9.567 -2.901 1.00 0.00 C ATOM 827 O MET A 51 -0.810 9.937 -1.868 1.00 0.00 O ATOM 828 CB MET A 51 0.383 7.151 -2.832 1.00 0.00 C ATOM 829 CG MET A 51 0.451 6.530 -4.228 1.00 0.00 C ATOM 830 SD MET A 51 1.972 5.615 -4.416 1.00 0.00 S ATOM 831 CE MET A 51 1.570 4.636 -5.853 1.00 0.00 C ATOM 0 H MET A 51 1.229 8.706 -0.774 1.00 0.00 H new ATOM 0 HA MET A 51 1.543 8.740 -3.722 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.963 6.548 -2.133 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.648 7.147 -2.478 1.00 0.00 H new ATOM 0 HG2 MET A 51 -0.402 5.869 -4.383 1.00 0.00 H new ATOM 0 HG3 MET A 51 0.391 7.311 -4.986 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.430 4.027 -6.131 1.00 0.00 H new ATOM 0 HE2 MET A 51 0.724 3.987 -5.626 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.309 5.295 -6.681 1.00 0.00 H new ATOM 841 N TYR A 52 -0.593 9.962 -4.119 1.00 0.00 N ATOM 842 CA TYR A 52 -1.688 10.894 -4.326 1.00 0.00 C ATOM 843 C TYR A 52 -3.008 10.151 -4.538 1.00 0.00 C ATOM 844 O TYR A 52 -3.228 9.558 -5.593 1.00 0.00 O ATOM 845 CB TYR A 52 -1.345 11.673 -5.597 1.00 0.00 C ATOM 846 CG TYR A 52 -1.983 13.061 -5.668 1.00 0.00 C ATOM 847 CD1 TYR A 52 -2.031 13.858 -4.542 1.00 0.00 C ATOM 848 CD2 TYR A 52 -2.512 13.518 -6.858 1.00 0.00 C ATOM 849 CE1 TYR A 52 -2.632 15.164 -4.608 1.00 0.00 C ATOM 850 CE2 TYR A 52 -3.113 14.824 -6.925 1.00 0.00 C ATOM 851 CZ TYR A 52 -3.143 15.583 -5.797 1.00 0.00 C ATOM 852 OH TYR A 52 -3.711 16.817 -5.860 1.00 0.00 O ATOM 0 H TYR A 52 -0.129 9.653 -4.973 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.809 11.543 -3.458 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -0.262 11.778 -5.665 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.664 11.093 -6.463 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -1.617 13.501 -3.610 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.475 12.895 -7.740 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -2.676 15.797 -3.734 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -3.531 15.193 -7.850 1.00 0.00 H new ATOM 0 HH TYR A 52 -4.032 16.983 -6.771 1.00 0.00 H new ATOM 862 N LEU A 53 -3.853 10.207 -3.519 1.00 0.00 N ATOM 863 CA LEU A 53 -5.145 9.547 -3.580 1.00 0.00 C ATOM 864 C LEU A 53 -5.989 10.189 -4.683 1.00 0.00 C ATOM 865 O LEU A 53 -6.633 9.489 -5.464 1.00 0.00 O ATOM 866 CB LEU A 53 -5.819 9.558 -2.206 1.00 0.00 C ATOM 867 CG LEU A 53 -4.947 9.117 -1.029 1.00 0.00 C ATOM 868 CD1 LEU A 53 -5.768 9.031 0.259 1.00 0.00 C ATOM 869 CD2 LEU A 53 -4.230 7.802 -1.340 1.00 0.00 C ATOM 0 H LEU A 53 -3.667 10.700 -2.646 1.00 0.00 H new ATOM 0 HA LEU A 53 -5.023 8.496 -3.841 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -6.179 10.568 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -6.694 8.910 -2.247 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.178 9.873 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.125 8.715 1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -6.193 10.009 0.486 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -6.573 8.307 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.617 7.511 -0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.967 7.024 -1.539 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.594 7.932 -2.216 1.00 0.00 H new ATOM 881 N PRO A 54 -5.957 11.548 -4.714 1.00 0.00 N ATOM 882 CA PRO A 54 -6.711 12.292 -5.709 1.00 0.00 C ATOM 883 C PRO A 54 -6.038 12.211 -7.080 1.00 0.00 C ATOM 884 O PRO A 54 -5.569 13.219 -7.606 1.00 0.00 O ATOM 885 CB PRO A 54 -6.785 13.710 -5.166 1.00 0.00 C ATOM 886 CG PRO A 54 -5.682 13.817 -4.126 1.00 0.00 C ATOM 887 CD PRO A 54 -5.206 12.410 -3.806 1.00 0.00 C ATOM 0 HA PRO A 54 -7.711 11.888 -5.869 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -6.643 14.441 -5.962 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -7.761 13.908 -4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.858 14.422 -4.504 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -6.052 14.309 -3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.132 12.310 -3.963 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -5.401 12.153 -2.765 1.00 0.00 H new ATOM 895 N GLY A 55 -6.013 11.002 -7.621 1.00 0.00 N ATOM 896 CA GLY A 55 -5.405 10.776 -8.921 1.00 0.00 C ATOM 897 C GLY A 55 -4.592 9.480 -8.929 1.00 0.00 C ATOM 898 O GLY A 55 -3.486 9.440 -9.466 1.00 0.00 O ATOM 0 H GLY A 55 -6.404 10.168 -7.182 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.180 10.728 -9.685 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -4.759 11.616 -9.175 1.00 0.00 H new ATOM 902 N CYS A 56 -5.172 8.452 -8.327 1.00 0.00 N ATOM 903 CA CYS A 56 -4.515 7.158 -8.258 1.00 0.00 C ATOM 904 C CYS A 56 -5.484 6.098 -8.786 1.00 0.00 C ATOM 905 O CYS A 56 -6.691 6.326 -8.836 1.00 0.00 O ATOM 906 CB CYS A 56 -4.040 6.839 -6.839 1.00 0.00 C ATOM 907 SG CYS A 56 -2.222 7.025 -6.730 1.00 0.00 S ATOM 0 H CYS A 56 -6.089 8.489 -7.883 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.618 7.170 -8.877 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -4.525 7.505 -6.126 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.326 5.822 -6.571 1.00 0.00 H new ATOM 0 HG CYS A 56 -1.935 8.170 -6.185 1.00 0.00 H new ATOM 913 N THR A 57 -4.918 4.962 -9.168 1.00 0.00 N ATOM 914 CA THR A 57 -5.717 3.867 -9.691 1.00 0.00 C ATOM 915 C THR A 57 -5.571 2.629 -8.803 1.00 0.00 C ATOM 916 O THR A 57 -4.502 2.023 -8.748 1.00 0.00 O ATOM 917 CB THR A 57 -5.297 3.627 -11.142 1.00 0.00 C ATOM 918 OG1 THR A 57 -6.093 4.542 -11.890 1.00 0.00 O ATOM 919 CG2 THR A 57 -5.728 2.252 -11.656 1.00 0.00 C ATOM 0 H THR A 57 -3.916 4.777 -9.126 1.00 0.00 H new ATOM 0 HA THR A 57 -6.779 4.112 -9.681 1.00 0.00 H new ATOM 0 HB THR A 57 -4.215 3.724 -11.227 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.883 4.455 -12.843 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.405 2.133 -12.690 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.273 1.475 -11.042 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.813 2.167 -11.602 1.00 0.00 H new ATOM 927 N ILE A 58 -6.661 2.291 -8.130 1.00 0.00 N ATOM 928 CA ILE A 58 -6.668 1.137 -7.248 1.00 0.00 C ATOM 929 C ILE A 58 -6.981 -0.120 -8.062 1.00 0.00 C ATOM 930 O ILE A 58 -8.142 -0.400 -8.358 1.00 0.00 O ATOM 931 CB ILE A 58 -7.624 1.364 -6.076 1.00 0.00 C ATOM 932 CG1 ILE A 58 -7.003 2.297 -5.034 1.00 0.00 C ATOM 933 CG2 ILE A 58 -8.066 0.033 -5.463 1.00 0.00 C ATOM 934 CD1 ILE A 58 -7.728 3.644 -5.003 1.00 0.00 C ATOM 0 H ILE A 58 -7.546 2.796 -8.178 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.684 0.992 -6.803 1.00 0.00 H new ATOM 0 HB ILE A 58 -8.519 1.857 -6.456 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.051 1.832 -4.050 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.949 2.453 -5.262 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -8.745 0.223 -4.632 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.576 -0.564 -6.219 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -7.192 -0.509 -5.101 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -7.267 4.288 -4.254 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.658 4.118 -5.982 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -8.777 3.487 -4.750 1.00 0.00 H new ATOM 946 N LYS A 59 -5.925 -0.845 -8.402 1.00 0.00 N ATOM 947 CA LYS A 59 -6.072 -2.066 -9.176 1.00 0.00 C ATOM 948 C LYS A 59 -6.183 -3.258 -8.224 1.00 0.00 C ATOM 949 O LYS A 59 -5.388 -3.391 -7.294 1.00 0.00 O ATOM 950 CB LYS A 59 -4.937 -2.195 -10.194 1.00 0.00 C ATOM 951 CG LYS A 59 -5.335 -1.585 -11.539 1.00 0.00 C ATOM 952 CD LYS A 59 -4.211 -1.739 -12.565 1.00 0.00 C ATOM 953 CE LYS A 59 -4.751 -2.269 -13.895 1.00 0.00 C ATOM 954 NZ LYS A 59 -3.701 -3.021 -14.618 1.00 0.00 N ATOM 0 H LYS A 59 -4.964 -0.610 -8.155 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.992 -2.038 -9.761 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.045 -1.697 -9.814 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.682 -3.246 -10.329 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -6.239 -2.069 -11.909 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -5.570 -0.529 -11.408 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.724 -0.777 -12.724 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.452 -2.420 -12.179 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -5.610 -2.915 -13.714 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -5.100 -1.439 -14.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.084 -3.374 -15.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.893 -2.394 -14.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.387 -3.824 -14.037 1.00 0.00 H new ATOM 968 N GLU A 60 -7.175 -4.095 -8.488 1.00 0.00 N ATOM 969 CA GLU A 60 -7.401 -5.272 -7.667 1.00 0.00 C ATOM 970 C GLU A 60 -6.717 -6.492 -8.288 1.00 0.00 C ATOM 971 O GLU A 60 -7.347 -7.258 -9.016 1.00 0.00 O ATOM 972 CB GLU A 60 -8.896 -5.524 -7.468 1.00 0.00 C ATOM 973 CG GLU A 60 -9.458 -4.640 -6.353 1.00 0.00 C ATOM 974 CD GLU A 60 -10.953 -4.898 -6.149 1.00 0.00 C ATOM 975 OE1 GLU A 60 -11.661 -4.974 -7.176 1.00 0.00 O ATOM 976 OE2 GLU A 60 -11.352 -5.014 -4.970 1.00 0.00 O ATOM 0 H GLU A 60 -7.832 -3.981 -9.260 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.963 -5.095 -6.685 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -9.429 -5.325 -8.398 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -9.062 -6.573 -7.224 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -8.922 -4.835 -5.424 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -9.297 -3.591 -6.600 1.00 0.00 H new ATOM 983 N ILE A 61 -5.437 -6.635 -7.977 1.00 0.00 N ATOM 984 CA ILE A 61 -4.661 -7.748 -8.496 1.00 0.00 C ATOM 985 C ILE A 61 -5.167 -9.051 -7.874 1.00 0.00 C ATOM 986 O ILE A 61 -5.352 -9.133 -6.661 1.00 0.00 O ATOM 987 CB ILE A 61 -3.165 -7.505 -8.281 1.00 0.00 C ATOM 988 CG1 ILE A 61 -2.815 -6.029 -8.481 1.00 0.00 C ATOM 989 CG2 ILE A 61 -2.327 -8.420 -9.177 1.00 0.00 C ATOM 990 CD1 ILE A 61 -3.544 -5.453 -9.696 1.00 0.00 C ATOM 0 H ILE A 61 -4.918 -5.998 -7.372 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.795 -7.835 -9.574 1.00 0.00 H new ATOM 0 HB ILE A 61 -2.923 -7.756 -7.248 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -3.084 -5.464 -7.589 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.738 -5.921 -8.614 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.268 -8.227 -9.005 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.549 -9.461 -8.943 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.566 -8.224 -10.222 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.278 -4.403 -9.816 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.254 -6.005 -10.590 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -4.621 -5.540 -9.549 1.00 0.00 H new ATOM 1002 N ALA A 62 -5.378 -10.037 -8.734 1.00 0.00 N ATOM 1003 CA ALA A 62 -5.860 -11.332 -8.284 1.00 0.00 C ATOM 1004 C ALA A 62 -4.774 -12.385 -8.518 1.00 0.00 C ATOM 1005 O ALA A 62 -3.934 -12.229 -9.402 1.00 0.00 O ATOM 1006 CB ALA A 62 -7.165 -11.670 -9.006 1.00 0.00 C ATOM 0 H ALA A 62 -5.224 -9.965 -9.740 1.00 0.00 H new ATOM 0 HA ALA A 62 -6.075 -11.312 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -7.527 -12.641 -8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.912 -10.908 -8.784 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -6.988 -11.702 -10.081 1.00 0.00 H new ATOM 1012 N THR A 63 -4.828 -13.433 -7.709 1.00 0.00 N ATOM 1013 CA THR A 63 -3.860 -14.512 -7.817 1.00 0.00 C ATOM 1014 C THR A 63 -4.167 -15.384 -9.036 1.00 0.00 C ATOM 1015 O THR A 63 -3.450 -16.344 -9.313 1.00 0.00 O ATOM 1016 CB THR A 63 -3.866 -15.286 -6.498 1.00 0.00 C ATOM 1017 OG1 THR A 63 -3.332 -14.364 -5.552 1.00 0.00 O ATOM 1018 CG2 THR A 63 -2.866 -16.444 -6.494 1.00 0.00 C ATOM 0 H THR A 63 -5.526 -13.558 -6.976 1.00 0.00 H new ATOM 0 HA THR A 63 -2.854 -14.126 -7.979 1.00 0.00 H new ATOM 0 HB THR A 63 -4.868 -15.671 -6.308 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.302 -14.784 -4.667 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.911 -16.960 -5.535 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.114 -17.142 -7.294 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.859 -16.056 -6.651 1.00 0.00 H new ATOM 1026 N ASN A 64 -5.235 -15.020 -9.731 1.00 0.00 N ATOM 1027 CA ASN A 64 -5.646 -15.757 -10.913 1.00 0.00 C ATOM 1028 C ASN A 64 -7.011 -15.247 -11.378 1.00 0.00 C ATOM 1029 O ASN A 64 -7.697 -14.540 -10.642 1.00 0.00 O ATOM 1030 CB ASN A 64 -5.777 -17.252 -10.612 1.00 0.00 C ATOM 1031 CG ASN A 64 -4.864 -18.077 -11.521 1.00 0.00 C ATOM 1032 OD1 ASN A 64 -3.874 -17.598 -12.048 1.00 0.00 O ATOM 1033 ND2 ASN A 64 -5.252 -19.340 -11.675 1.00 0.00 N ATOM 0 H ASN A 64 -5.828 -14.224 -9.497 1.00 0.00 H new ATOM 0 HA ASN A 64 -4.889 -15.609 -11.683 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -5.523 -17.440 -9.569 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -6.812 -17.565 -10.750 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -4.709 -19.972 -12.264 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -6.092 -19.676 -11.204 1.00 0.00 H new ATOM 1040 N PRO A 65 -7.374 -15.636 -12.630 1.00 0.00 N ATOM 1041 CA PRO A 65 -8.645 -15.226 -13.202 1.00 0.00 C ATOM 1042 C PRO A 65 -9.804 -16.011 -12.584 1.00 0.00 C ATOM 1043 O PRO A 65 -10.921 -15.506 -12.491 1.00 0.00 O ATOM 1044 CB PRO A 65 -8.498 -15.460 -14.696 1.00 0.00 C ATOM 1045 CG PRO A 65 -7.332 -16.422 -14.854 1.00 0.00 C ATOM 1046 CD PRO A 65 -6.587 -16.473 -13.530 1.00 0.00 C ATOM 0 HA PRO A 65 -8.881 -14.182 -12.998 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -9.411 -15.880 -15.117 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -8.306 -14.524 -15.221 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.690 -17.414 -15.129 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -6.669 -16.090 -15.653 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -6.512 -17.494 -13.157 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -5.570 -16.096 -13.633 1.00 0.00 H new ATOM 1054 N GLU A 66 -9.497 -17.235 -12.178 1.00 0.00 N ATOM 1055 CA GLU A 66 -10.498 -18.095 -11.572 1.00 0.00 C ATOM 1056 C GLU A 66 -10.510 -17.909 -10.054 1.00 0.00 C ATOM 1057 O GLU A 66 -11.501 -17.448 -9.489 1.00 0.00 O ATOM 1058 CB GLU A 66 -10.259 -19.560 -11.943 1.00 0.00 C ATOM 1059 CG GLU A 66 -11.442 -20.434 -11.518 1.00 0.00 C ATOM 1060 CD GLU A 66 -10.981 -21.851 -11.174 1.00 0.00 C ATOM 1061 OE1 GLU A 66 -10.423 -22.503 -12.082 1.00 0.00 O ATOM 1062 OE2 GLU A 66 -11.196 -22.250 -10.009 1.00 0.00 O ATOM 0 H GLU A 66 -8.569 -17.651 -12.257 1.00 0.00 H new ATOM 0 HA GLU A 66 -11.476 -17.811 -11.960 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -10.107 -19.646 -13.019 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -9.348 -19.916 -11.463 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -11.936 -19.989 -10.654 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -12.178 -20.472 -12.321 1.00 0.00 H new ATOM 1069 N GLU A 67 -9.397 -18.276 -9.436 1.00 0.00 N ATOM 1070 CA GLU A 67 -9.267 -18.155 -7.994 1.00 0.00 C ATOM 1071 C GLU A 67 -9.890 -16.843 -7.513 1.00 0.00 C ATOM 1072 O GLU A 67 -9.686 -15.794 -8.122 1.00 0.00 O ATOM 1073 CB GLU A 67 -7.802 -18.255 -7.565 1.00 0.00 C ATOM 1074 CG GLU A 67 -7.330 -19.710 -7.562 1.00 0.00 C ATOM 1075 CD GLU A 67 -7.940 -20.482 -6.390 1.00 0.00 C ATOM 1076 OE1 GLU A 67 -7.488 -20.236 -5.251 1.00 0.00 O ATOM 1077 OE2 GLU A 67 -8.845 -21.301 -6.660 1.00 0.00 O ATOM 0 H GLU A 67 -8.577 -18.657 -9.908 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.805 -18.982 -7.530 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -7.180 -17.669 -8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.681 -17.828 -6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.608 -20.188 -8.501 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.242 -19.743 -7.497 1.00 0.00 H new ATOM 1084 N ALA A 68 -10.638 -16.944 -6.424 1.00 0.00 N ATOM 1085 CA ALA A 68 -11.293 -15.779 -5.854 1.00 0.00 C ATOM 1086 C ALA A 68 -10.308 -14.609 -5.827 1.00 0.00 C ATOM 1087 O ALA A 68 -9.140 -14.783 -5.483 1.00 0.00 O ATOM 1088 CB ALA A 68 -11.828 -16.123 -4.463 1.00 0.00 C ATOM 0 H ALA A 68 -10.805 -17.815 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 68 -12.144 -15.480 -6.465 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -12.319 -15.249 -4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -12.545 -16.940 -4.541 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -11.002 -16.425 -3.820 1.00 0.00 H new ATOM 1094 N GLY A 69 -10.815 -13.441 -6.195 1.00 0.00 N ATOM 1095 CA GLY A 69 -9.994 -12.242 -6.217 1.00 0.00 C ATOM 1096 C GLY A 69 -9.213 -12.088 -4.911 1.00 0.00 C ATOM 1097 O GLY A 69 -9.717 -11.519 -3.945 1.00 0.00 O ATOM 0 H GLY A 69 -11.784 -13.300 -6.480 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.300 -12.287 -7.056 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.626 -11.367 -6.372 1.00 0.00 H new ATOM 1101 N LYS A 70 -7.994 -12.607 -4.923 1.00 0.00 N ATOM 1102 CA LYS A 70 -7.137 -12.535 -3.752 1.00 0.00 C ATOM 1103 C LYS A 70 -7.064 -11.085 -3.268 1.00 0.00 C ATOM 1104 O LYS A 70 -7.192 -10.154 -4.062 1.00 0.00 O ATOM 1105 CB LYS A 70 -5.770 -13.154 -4.048 1.00 0.00 C ATOM 1106 CG LYS A 70 -4.936 -13.277 -2.772 1.00 0.00 C ATOM 1107 CD LYS A 70 -5.341 -14.515 -1.969 1.00 0.00 C ATOM 1108 CE LYS A 70 -5.398 -14.203 -0.472 1.00 0.00 C ATOM 1109 NZ LYS A 70 -6.624 -14.774 0.129 1.00 0.00 N ATOM 0 H LYS A 70 -7.579 -13.080 -5.726 1.00 0.00 H new ATOM 0 HA LYS A 70 -7.557 -13.124 -2.936 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -5.902 -14.139 -4.497 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -5.239 -12.541 -4.776 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -3.878 -13.336 -3.029 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -5.066 -12.384 -2.161 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -6.314 -14.870 -2.307 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -4.628 -15.319 -2.150 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -4.518 -14.612 0.025 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -5.379 -13.124 -0.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -7.047 -14.081 0.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -7.305 -15.004 -0.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -6.383 -15.639 0.654 1.00 0.00 H new ATOM 1123 N PHE A 71 -6.858 -10.938 -1.967 1.00 0.00 N ATOM 1124 CA PHE A 71 -6.766 -9.618 -1.368 1.00 0.00 C ATOM 1125 C PHE A 71 -5.431 -8.952 -1.711 1.00 0.00 C ATOM 1126 O PHE A 71 -4.585 -8.764 -0.838 1.00 0.00 O ATOM 1127 CB PHE A 71 -6.853 -9.807 0.147 1.00 0.00 C ATOM 1128 CG PHE A 71 -7.851 -10.882 0.583 1.00 0.00 C ATOM 1129 CD1 PHE A 71 -8.989 -11.084 -0.133 1.00 0.00 C ATOM 1130 CD2 PHE A 71 -7.599 -11.635 1.687 1.00 0.00 C ATOM 1131 CE1 PHE A 71 -9.915 -12.082 0.272 1.00 0.00 C ATOM 1132 CE2 PHE A 71 -8.525 -12.633 2.092 1.00 0.00 C ATOM 1133 CZ PHE A 71 -9.663 -12.835 1.376 1.00 0.00 C ATOM 0 H PHE A 71 -6.752 -11.712 -1.311 1.00 0.00 H new ATOM 0 HA PHE A 71 -7.567 -8.982 -1.745 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -5.865 -10.067 0.528 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.132 -8.859 0.606 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -9.189 -10.486 -1.010 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -6.695 -11.474 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.819 -12.243 -0.297 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.325 -13.231 2.969 1.00 0.00 H new ATOM 0 HZ PHE A 71 -10.367 -13.594 1.684 1.00 0.00 H new ATOM 1143 N VAL A 72 -5.284 -8.615 -2.984 1.00 0.00 N ATOM 1144 CA VAL A 72 -4.067 -7.975 -3.452 1.00 0.00 C ATOM 1145 C VAL A 72 -4.430 -6.846 -4.420 1.00 0.00 C ATOM 1146 O VAL A 72 -5.083 -7.080 -5.435 1.00 0.00 O ATOM 1147 CB VAL A 72 -3.133 -9.016 -4.072 1.00 0.00 C ATOM 1148 CG1 VAL A 72 -1.837 -8.367 -4.563 1.00 0.00 C ATOM 1149 CG2 VAL A 72 -2.839 -10.146 -3.083 1.00 0.00 C ATOM 0 H VAL A 72 -5.988 -8.773 -3.705 1.00 0.00 H new ATOM 0 HA VAL A 72 -3.526 -7.528 -2.618 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.639 -9.448 -4.935 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -1.191 -9.129 -4.999 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -2.070 -7.614 -5.316 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -1.326 -7.895 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.173 -10.873 -3.548 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.363 -9.735 -2.193 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -3.771 -10.636 -2.803 1.00 0.00 H new ATOM 1159 N PHE A 73 -3.989 -5.646 -4.071 1.00 0.00 N ATOM 1160 CA PHE A 73 -4.259 -4.481 -4.896 1.00 0.00 C ATOM 1161 C PHE A 73 -3.022 -3.587 -5.003 1.00 0.00 C ATOM 1162 O PHE A 73 -2.295 -3.408 -4.028 1.00 0.00 O ATOM 1163 CB PHE A 73 -5.382 -3.699 -4.211 1.00 0.00 C ATOM 1164 CG PHE A 73 -4.951 -2.987 -2.927 1.00 0.00 C ATOM 1165 CD1 PHE A 73 -4.746 -3.704 -1.789 1.00 0.00 C ATOM 1166 CD2 PHE A 73 -4.773 -1.639 -2.923 1.00 0.00 C ATOM 1167 CE1 PHE A 73 -4.346 -3.044 -0.597 1.00 0.00 C ATOM 1168 CE2 PHE A 73 -4.373 -0.979 -1.731 1.00 0.00 C ATOM 1169 CZ PHE A 73 -4.169 -1.696 -0.593 1.00 0.00 C ATOM 0 H PHE A 73 -3.447 -5.456 -3.228 1.00 0.00 H new ATOM 0 HA PHE A 73 -4.536 -4.793 -5.903 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -5.775 -2.960 -4.910 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -6.198 -4.383 -3.978 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -4.887 -4.775 -1.792 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -4.936 -1.070 -3.827 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -4.182 -3.613 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -4.231 0.092 -1.728 1.00 0.00 H new ATOM 0 HZ PHE A 73 -3.866 -1.194 0.314 1.00 0.00 H new ATOM 1179 N GLU A 74 -2.822 -3.048 -6.197 1.00 0.00 N ATOM 1180 CA GLU A 74 -1.686 -2.177 -6.444 1.00 0.00 C ATOM 1181 C GLU A 74 -2.164 -0.755 -6.747 1.00 0.00 C ATOM 1182 O GLU A 74 -3.071 -0.560 -7.554 1.00 0.00 O ATOM 1183 CB GLU A 74 -0.818 -2.718 -7.583 1.00 0.00 C ATOM 1184 CG GLU A 74 -1.163 -2.034 -8.907 1.00 0.00 C ATOM 1185 CD GLU A 74 -0.560 -2.795 -10.090 1.00 0.00 C ATOM 1186 OE1 GLU A 74 0.320 -3.643 -9.830 1.00 0.00 O ATOM 1187 OE2 GLU A 74 -0.993 -2.511 -11.228 1.00 0.00 O ATOM 0 H GLU A 74 -3.428 -3.198 -7.004 1.00 0.00 H new ATOM 0 HA GLU A 74 -1.071 -2.149 -5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 74 0.235 -2.558 -7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -0.964 -3.794 -7.677 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -2.246 -1.977 -9.020 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -0.789 -1.010 -8.900 1.00 0.00 H new ATOM 1194 N ILE A 75 -1.531 0.201 -6.083 1.00 0.00 N ATOM 1195 CA ILE A 75 -1.879 1.599 -6.271 1.00 0.00 C ATOM 1196 C ILE A 75 -1.020 2.188 -7.392 1.00 0.00 C ATOM 1197 O ILE A 75 0.206 2.108 -7.346 1.00 0.00 O ATOM 1198 CB ILE A 75 -1.771 2.360 -4.948 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -2.536 1.639 -3.837 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -2.229 3.811 -5.112 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -1.836 1.813 -2.487 1.00 0.00 C ATOM 0 H ILE A 75 -0.779 0.035 -5.414 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.919 1.694 -6.583 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.722 2.385 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -3.552 2.030 -3.777 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -2.616 0.578 -4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -2.142 4.330 -4.157 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.604 4.308 -5.853 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -3.268 3.830 -5.442 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.400 1.291 -1.714 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.829 1.399 -2.543 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.779 2.873 -2.241 1.00 0.00 H new ATOM 1213 N ILE A 76 -1.699 2.767 -8.372 1.00 0.00 N ATOM 1214 CA ILE A 76 -1.013 3.370 -9.502 1.00 0.00 C ATOM 1215 C ILE A 76 -1.130 4.892 -9.412 1.00 0.00 C ATOM 1216 O ILE A 76 -2.235 5.433 -9.377 1.00 0.00 O ATOM 1217 CB ILE A 76 -1.537 2.790 -10.818 1.00 0.00 C ATOM 1218 CG1 ILE A 76 -0.998 1.376 -11.047 1.00 0.00 C ATOM 1219 CG2 ILE A 76 -1.223 3.720 -11.991 1.00 0.00 C ATOM 1220 CD1 ILE A 76 -2.117 0.427 -11.481 1.00 0.00 C ATOM 0 H ILE A 76 -2.716 2.831 -8.407 1.00 0.00 H new ATOM 0 HA ILE A 76 0.050 3.130 -9.474 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.622 2.714 -10.750 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.219 1.399 -11.809 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -0.537 1.006 -10.131 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.606 3.284 -12.914 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.695 4.688 -11.824 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -0.144 3.851 -12.073 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.708 -0.571 -11.637 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.882 0.388 -10.706 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -2.560 0.787 -12.410 1.00 0.00 H new ATOM 1232 N PRO A 77 0.055 5.559 -9.375 1.00 0.00 N ATOM 1233 CA PRO A 77 0.096 7.009 -9.289 1.00 0.00 C ATOM 1234 C PRO A 77 -0.262 7.648 -10.632 1.00 0.00 C ATOM 1235 O PRO A 77 0.622 8.043 -11.391 1.00 0.00 O ATOM 1236 CB PRO A 77 1.508 7.336 -8.833 1.00 0.00 C ATOM 1237 CG PRO A 77 2.339 6.098 -9.127 1.00 0.00 C ATOM 1238 CD PRO A 77 1.382 4.952 -9.414 1.00 0.00 C ATOM 0 HA PRO A 77 -0.637 7.410 -8.589 1.00 0.00 H new ATOM 0 HB2 PRO A 77 1.899 8.204 -9.364 1.00 0.00 H new ATOM 0 HB3 PRO A 77 1.529 7.577 -7.770 1.00 0.00 H new ATOM 0 HG2 PRO A 77 2.994 6.272 -9.981 1.00 0.00 H new ATOM 0 HG3 PRO A 77 2.979 5.857 -8.278 1.00 0.00 H new ATOM 0 HD2 PRO A 77 1.583 4.502 -10.386 1.00 0.00 H new ATOM 0 HD3 PRO A 77 1.478 4.161 -8.671 1.00 0.00 H new ATOM 1246 N ALA A 78 -1.560 7.730 -10.886 1.00 0.00 N ATOM 1247 CA ALA A 78 -2.045 8.314 -12.124 1.00 0.00 C ATOM 1248 C ALA A 78 -1.260 7.730 -13.301 1.00 0.00 C ATOM 1249 O ALA A 78 -0.464 6.809 -13.124 1.00 0.00 O ATOM 1250 CB ALA A 78 -1.934 9.838 -12.048 1.00 0.00 C ATOM 0 H ALA A 78 -2.291 7.401 -10.255 1.00 0.00 H new ATOM 0 HA ALA A 78 -3.097 8.071 -12.276 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.298 10.276 -12.977 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -2.533 10.205 -11.215 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.892 10.120 -11.898 1.00 0.00 H new ATOM 1256 N SER A 79 -1.512 8.291 -14.475 1.00 0.00 N ATOM 1257 CA SER A 79 -0.838 7.837 -15.680 1.00 0.00 C ATOM 1258 C SER A 79 0.637 7.561 -15.382 1.00 0.00 C ATOM 1259 O SER A 79 1.398 8.482 -15.090 1.00 0.00 O ATOM 1260 CB SER A 79 -0.969 8.866 -16.804 1.00 0.00 C ATOM 1261 OG SER A 79 -0.453 10.139 -16.426 1.00 0.00 O ATOM 0 H SER A 79 -2.173 9.055 -14.617 1.00 0.00 H new ATOM 0 HA SER A 79 -1.314 6.914 -16.011 1.00 0.00 H new ATOM 0 HB2 SER A 79 -0.439 8.508 -17.687 1.00 0.00 H new ATOM 0 HB3 SER A 79 -2.018 8.968 -17.081 1.00 0.00 H new ATOM 0 HG SER A 79 0.324 10.017 -15.841 1.00 0.00 H new ATOM 1267 N TRP A 80 0.997 6.288 -15.467 1.00 0.00 N ATOM 1268 CA TRP A 80 2.367 5.879 -15.211 1.00 0.00 C ATOM 1269 C TRP A 80 2.868 5.111 -16.436 1.00 0.00 C ATOM 1270 O TRP A 80 2.488 3.962 -16.650 1.00 0.00 O ATOM 1271 CB TRP A 80 2.464 5.069 -13.917 1.00 0.00 C ATOM 1272 CG TRP A 80 3.893 4.682 -13.531 1.00 0.00 C ATOM 1273 CD1 TRP A 80 4.793 5.412 -12.858 1.00 0.00 C ATOM 1274 CD2 TRP A 80 4.554 3.433 -13.825 1.00 0.00 C ATOM 1275 NE1 TRP A 80 5.981 4.728 -12.697 1.00 0.00 N ATOM 1276 CE2 TRP A 80 5.831 3.486 -13.304 1.00 0.00 C ATOM 1277 CE3 TRP A 80 4.089 2.296 -14.508 1.00 0.00 C ATOM 1278 CZ2 TRP A 80 6.748 2.433 -13.411 1.00 0.00 C ATOM 1279 CZ3 TRP A 80 5.017 1.252 -14.607 1.00 0.00 C ATOM 1280 CH2 TRP A 80 6.306 1.290 -14.088 1.00 0.00 C ATOM 0 H TRP A 80 0.363 5.527 -15.710 1.00 0.00 H new ATOM 0 HA TRP A 80 3.007 6.748 -15.059 1.00 0.00 H new ATOM 0 HB2 TRP A 80 2.023 5.647 -13.105 1.00 0.00 H new ATOM 0 HB3 TRP A 80 1.869 4.162 -14.023 1.00 0.00 H new ATOM 0 HD1 TRP A 80 4.612 6.410 -12.488 1.00 0.00 H new ATOM 0 HE1 TRP A 80 6.815 5.071 -12.221 1.00 0.00 H new ATOM 0 HE3 TRP A 80 3.094 2.233 -14.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 7.742 2.499 -12.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 4.710 0.354 -15.123 1.00 0.00 H new ATOM 0 HH2 TRP A 80 6.964 0.442 -14.206 1.00 0.00 H new ATOM 1291 N ASP A 81 3.714 5.778 -17.207 1.00 0.00 N ATOM 1292 CA ASP A 81 4.271 5.173 -18.405 1.00 0.00 C ATOM 1293 C ASP A 81 5.798 5.157 -18.300 1.00 0.00 C ATOM 1294 O ASP A 81 6.491 5.565 -19.230 1.00 0.00 O ATOM 1295 CB ASP A 81 3.891 5.972 -19.653 1.00 0.00 C ATOM 1296 CG ASP A 81 3.899 7.491 -19.476 1.00 0.00 C ATOM 1297 OD1 ASP A 81 2.959 7.991 -18.821 1.00 0.00 O ATOM 1298 OD2 ASP A 81 4.845 8.119 -20.000 1.00 0.00 O ATOM 0 H ASP A 81 4.027 6.732 -17.025 1.00 0.00 H new ATOM 0 HA ASP A 81 3.872 4.162 -18.489 1.00 0.00 H new ATOM 0 HB2 ASP A 81 4.580 5.711 -20.456 1.00 0.00 H new ATOM 0 HB3 ASP A 81 2.896 5.664 -19.974 1.00 0.00 H new ATOM 1303 N GLN A 82 6.276 4.682 -17.160 1.00 0.00 N ATOM 1304 CA GLN A 82 7.707 4.607 -16.921 1.00 0.00 C ATOM 1305 C GLN A 82 8.393 5.886 -17.406 1.00 0.00 C ATOM 1306 O GLN A 82 8.391 6.898 -16.708 1.00 0.00 O ATOM 1307 CB GLN A 82 8.311 3.372 -17.593 1.00 0.00 C ATOM 1308 CG GLN A 82 8.110 2.125 -16.730 1.00 0.00 C ATOM 1309 CD GLN A 82 9.400 1.307 -16.640 1.00 0.00 C ATOM 1310 OE1 GLN A 82 10.482 1.828 -16.429 1.00 0.00 O ATOM 1311 NE2 GLN A 82 9.224 0.000 -16.810 1.00 0.00 N ATOM 0 H GLN A 82 5.697 4.345 -16.391 1.00 0.00 H new ATOM 0 HA GLN A 82 7.873 4.513 -15.848 1.00 0.00 H new ATOM 0 HB2 GLN A 82 7.849 3.222 -18.569 1.00 0.00 H new ATOM 0 HB3 GLN A 82 9.375 3.531 -17.766 1.00 0.00 H new ATOM 0 HG2 GLN A 82 7.790 2.418 -15.730 1.00 0.00 H new ATOM 0 HG3 GLN A 82 7.314 1.511 -17.152 1.00 0.00 H new ATOM 0 HE21 GLN A 82 8.290 -0.370 -16.983 1.00 0.00 H new ATOM 0 HE22 GLN A 82 10.023 -0.632 -16.767 1.00 0.00 H new ATOM 1320 N ASN A 83 8.964 5.797 -18.599 1.00 0.00 N ATOM 1321 CA ASN A 83 9.652 6.935 -19.185 1.00 0.00 C ATOM 1322 C ASN A 83 10.920 7.229 -18.380 1.00 0.00 C ATOM 1323 O ASN A 83 12.030 7.060 -18.881 1.00 0.00 O ATOM 1324 CB ASN A 83 8.773 8.186 -19.155 1.00 0.00 C ATOM 1325 CG ASN A 83 9.375 9.300 -20.013 1.00 0.00 C ATOM 1326 OD1 ASN A 83 10.063 9.062 -20.992 1.00 0.00 O ATOM 1327 ND2 ASN A 83 9.080 10.527 -19.592 1.00 0.00 N ATOM 0 H ASN A 83 8.964 4.955 -19.175 1.00 0.00 H new ATOM 0 HA ASN A 83 9.891 6.688 -20.219 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.775 7.942 -19.518 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.663 8.533 -18.128 1.00 0.00 H new ATOM 0 HD21 ASN A 83 9.436 11.339 -20.097 1.00 0.00 H new ATOM 0 HD22 ASN A 83 8.498 10.656 -18.764 1.00 0.00 H new ATOM 1334 N ARG A 84 10.711 7.663 -17.145 1.00 0.00 N ATOM 1335 CA ARG A 84 11.823 7.981 -16.266 1.00 0.00 C ATOM 1336 C ARG A 84 11.306 8.444 -14.902 1.00 0.00 C ATOM 1337 O ARG A 84 11.825 9.401 -14.330 1.00 0.00 O ATOM 1338 CB ARG A 84 12.704 9.078 -16.868 1.00 0.00 C ATOM 1339 CG ARG A 84 14.074 9.115 -16.188 1.00 0.00 C ATOM 1340 CD ARG A 84 15.185 8.739 -17.171 1.00 0.00 C ATOM 1341 NE ARG A 84 16.023 9.923 -17.464 1.00 0.00 N ATOM 1342 CZ ARG A 84 16.731 10.589 -16.541 1.00 0.00 C ATOM 1343 NH1 ARG A 84 16.706 10.192 -15.262 1.00 0.00 N ATOM 1344 NH2 ARG A 84 17.464 11.653 -16.898 1.00 0.00 N ATOM 0 H ARG A 84 9.788 7.802 -16.733 1.00 0.00 H new ATOM 0 HA ARG A 84 12.419 7.077 -16.145 1.00 0.00 H new ATOM 0 HB2 ARG A 84 12.829 8.904 -17.937 1.00 0.00 H new ATOM 0 HB3 ARG A 84 12.213 10.045 -16.758 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.259 10.112 -15.789 1.00 0.00 H new ATOM 0 HG3 ARG A 84 14.083 8.427 -15.343 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.800 7.943 -16.751 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.751 8.353 -18.093 1.00 0.00 H new ATOM 0 HE ARG A 84 16.064 10.253 -18.428 1.00 0.00 H new ATOM 0 HH11 ARG A 84 16.148 9.383 -14.990 1.00 0.00 H new ATOM 0 HH12 ARG A 84 17.245 10.699 -14.560 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.483 11.956 -17.872 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.003 12.160 -16.196 1.00 0.00 H new ATOM 1358 N MET A 85 10.290 7.742 -14.422 1.00 0.00 N ATOM 1359 CA MET A 85 9.697 8.068 -13.136 1.00 0.00 C ATOM 1360 C MET A 85 9.245 6.803 -12.404 1.00 0.00 C ATOM 1361 O MET A 85 8.617 5.928 -12.999 1.00 0.00 O ATOM 1362 CB MET A 85 8.496 8.993 -13.348 1.00 0.00 C ATOM 1363 CG MET A 85 8.899 10.246 -14.128 1.00 0.00 C ATOM 1364 SD MET A 85 7.455 11.230 -14.491 1.00 0.00 S ATOM 1365 CE MET A 85 7.597 12.471 -13.215 1.00 0.00 C ATOM 0 H MET A 85 9.862 6.949 -14.900 1.00 0.00 H new ATOM 0 HA MET A 85 10.449 8.568 -12.526 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.713 8.460 -13.888 1.00 0.00 H new ATOM 0 HB3 MET A 85 8.079 9.280 -12.383 1.00 0.00 H new ATOM 0 HG2 MET A 85 9.612 10.832 -13.548 1.00 0.00 H new ATOM 0 HG3 MET A 85 9.398 9.963 -15.055 1.00 0.00 H new ATOM 0 HE1 MET A 85 6.767 13.173 -13.297 1.00 0.00 H new ATOM 0 HE2 MET A 85 7.572 11.991 -12.237 1.00 0.00 H new ATOM 0 HE3 MET A 85 8.539 13.007 -13.332 1.00 0.00 H new ATOM 1375 N GLY A 86 9.581 6.747 -11.124 1.00 0.00 N ATOM 1376 CA GLY A 86 9.217 5.604 -10.304 1.00 0.00 C ATOM 1377 C GLY A 86 9.684 4.297 -10.948 1.00 0.00 C ATOM 1378 O GLY A 86 10.120 4.289 -12.098 1.00 0.00 O ATOM 0 H GLY A 86 10.102 7.475 -10.634 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.662 5.705 -9.314 1.00 0.00 H new ATOM 0 HA3 GLY A 86 8.136 5.580 -10.166 1.00 0.00 H new ATOM 1382 N GLN A 87 9.575 3.223 -10.179 1.00 0.00 N ATOM 1383 CA GLN A 87 9.980 1.914 -10.661 1.00 0.00 C ATOM 1384 C GLN A 87 8.755 1.102 -11.087 1.00 0.00 C ATOM 1385 O GLN A 87 8.831 0.297 -12.014 1.00 0.00 O ATOM 1386 CB GLN A 87 10.791 1.166 -9.600 1.00 0.00 C ATOM 1387 CG GLN A 87 10.163 1.329 -8.215 1.00 0.00 C ATOM 1388 CD GLN A 87 10.819 2.477 -7.446 1.00 0.00 C ATOM 1389 OE1 GLN A 87 10.446 3.633 -7.567 1.00 0.00 O ATOM 1390 NE2 GLN A 87 11.815 2.097 -6.651 1.00 0.00 N ATOM 0 H GLN A 87 9.212 3.233 -9.226 1.00 0.00 H new ATOM 0 HA GLN A 87 10.621 2.052 -11.532 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.844 0.108 -9.857 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.814 1.543 -9.586 1.00 0.00 H new ATOM 0 HG2 GLN A 87 9.094 1.519 -8.317 1.00 0.00 H new ATOM 0 HG3 GLN A 87 10.270 0.402 -7.652 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.077 1.113 -6.596 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.317 2.790 -6.096 1.00 0.00 H new ATOM 1399 N ASP A 88 7.654 1.343 -10.390 1.00 0.00 N ATOM 1400 CA ASP A 88 6.414 0.645 -10.684 1.00 0.00 C ATOM 1401 C ASP A 88 5.347 1.060 -9.670 1.00 0.00 C ATOM 1402 O ASP A 88 5.646 1.748 -8.696 1.00 0.00 O ATOM 1403 CB ASP A 88 6.598 -0.871 -10.583 1.00 0.00 C ATOM 1404 CG ASP A 88 6.276 -1.649 -11.860 1.00 0.00 C ATOM 1405 OD1 ASP A 88 5.121 -1.527 -12.323 1.00 0.00 O ATOM 1406 OD2 ASP A 88 7.193 -2.347 -12.346 1.00 0.00 O ATOM 0 H ASP A 88 7.595 2.012 -9.622 1.00 0.00 H new ATOM 0 HA ASP A 88 6.113 0.905 -11.699 1.00 0.00 H new ATOM 0 HB2 ASP A 88 7.630 -1.078 -10.300 1.00 0.00 H new ATOM 0 HB3 ASP A 88 5.965 -1.246 -9.778 1.00 0.00 H new ATOM 1411 N SER A 89 4.124 0.625 -9.935 1.00 0.00 N ATOM 1412 CA SER A 89 3.010 0.944 -9.058 1.00 0.00 C ATOM 1413 C SER A 89 3.295 0.434 -7.644 1.00 0.00 C ATOM 1414 O SER A 89 4.341 -0.164 -7.395 1.00 0.00 O ATOM 1415 CB SER A 89 1.705 0.344 -9.585 1.00 0.00 C ATOM 1416 OG SER A 89 1.826 -1.051 -9.848 1.00 0.00 O ATOM 0 H SER A 89 3.880 0.054 -10.744 1.00 0.00 H new ATOM 0 HA SER A 89 2.895 2.028 -9.031 1.00 0.00 H new ATOM 0 HB2 SER A 89 0.911 0.508 -8.857 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.411 0.861 -10.499 1.00 0.00 H new ATOM 0 HG SER A 89 1.640 -1.223 -10.795 1.00 0.00 H new ATOM 1422 N TYR A 90 2.346 0.688 -6.755 1.00 0.00 N ATOM 1423 CA TYR A 90 2.482 0.262 -5.372 1.00 0.00 C ATOM 1424 C TYR A 90 1.698 -1.026 -5.116 1.00 0.00 C ATOM 1425 O TYR A 90 0.520 -0.980 -4.764 1.00 0.00 O ATOM 1426 CB TYR A 90 1.885 1.387 -4.524 1.00 0.00 C ATOM 1427 CG TYR A 90 2.929 2.275 -3.844 1.00 0.00 C ATOM 1428 CD1 TYR A 90 4.137 2.520 -4.465 1.00 0.00 C ATOM 1429 CD2 TYR A 90 2.663 2.831 -2.609 1.00 0.00 C ATOM 1430 CE1 TYR A 90 5.119 3.356 -3.825 1.00 0.00 C ATOM 1431 CE2 TYR A 90 3.645 3.667 -1.969 1.00 0.00 C ATOM 1432 CZ TYR A 90 4.825 3.888 -2.609 1.00 0.00 C ATOM 1433 OH TYR A 90 5.753 4.678 -2.004 1.00 0.00 O ATOM 0 H TYR A 90 1.480 1.183 -6.965 1.00 0.00 H new ATOM 0 HA TYR A 90 3.527 0.067 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 90 1.252 2.008 -5.157 1.00 0.00 H new ATOM 0 HB3 TYR A 90 1.242 0.950 -3.760 1.00 0.00 H new ATOM 0 HD1 TYR A 90 4.346 2.085 -5.431 1.00 0.00 H new ATOM 0 HD2 TYR A 90 1.718 2.639 -2.123 1.00 0.00 H new ATOM 0 HE1 TYR A 90 6.068 3.556 -4.300 1.00 0.00 H new ATOM 0 HE2 TYR A 90 3.449 4.109 -1.003 1.00 0.00 H new ATOM 0 HH TYR A 90 5.332 5.514 -1.714 1.00 0.00 H new ATOM 1443 N VAL A 91 2.382 -2.145 -5.302 1.00 0.00 N ATOM 1444 CA VAL A 91 1.764 -3.443 -5.095 1.00 0.00 C ATOM 1445 C VAL A 91 1.614 -3.698 -3.594 1.00 0.00 C ATOM 1446 O VAL A 91 2.571 -4.093 -2.929 1.00 0.00 O ATOM 1447 CB VAL A 91 2.575 -4.528 -5.808 1.00 0.00 C ATOM 1448 CG1 VAL A 91 1.923 -5.902 -5.635 1.00 0.00 C ATOM 1449 CG2 VAL A 91 2.759 -4.190 -7.288 1.00 0.00 C ATOM 0 H VAL A 91 3.359 -2.179 -5.594 1.00 0.00 H new ATOM 0 HA VAL A 91 0.765 -3.464 -5.530 1.00 0.00 H new ATOM 0 HB VAL A 91 3.563 -4.566 -5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 91 2.519 -6.655 -6.151 1.00 0.00 H new ATOM 0 HG12 VAL A 91 1.867 -6.147 -4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 91 0.918 -5.883 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 91 3.338 -4.977 -7.772 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.783 -4.111 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 91 3.287 -3.241 -7.382 1.00 0.00 H new ATOM 1459 N LEU A 92 0.406 -3.463 -3.104 1.00 0.00 N ATOM 1460 CA LEU A 92 0.118 -3.662 -1.693 1.00 0.00 C ATOM 1461 C LEU A 92 -0.797 -4.877 -1.531 1.00 0.00 C ATOM 1462 O LEU A 92 -1.737 -5.058 -2.304 1.00 0.00 O ATOM 1463 CB LEU A 92 -0.444 -2.381 -1.075 1.00 0.00 C ATOM 1464 CG LEU A 92 0.339 -1.098 -1.361 1.00 0.00 C ATOM 1465 CD1 LEU A 92 -0.131 0.044 -0.458 1.00 0.00 C ATOM 1466 CD2 LEU A 92 1.846 -1.338 -1.244 1.00 0.00 C ATOM 0 H LEU A 92 -0.385 -3.137 -3.659 1.00 0.00 H new ATOM 0 HA LEU A 92 1.034 -3.877 -1.143 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.465 -2.247 -1.432 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.499 -2.516 0.005 1.00 0.00 H new ATOM 0 HG LEU A 92 0.139 -0.798 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 92 0.442 0.944 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.190 0.235 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.020 -0.232 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 92 2.379 -0.410 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 92 2.084 -1.675 -0.235 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.150 -2.100 -1.962 1.00 0.00 H new ATOM 1478 N MET A 93 -0.491 -5.678 -0.521 1.00 0.00 N ATOM 1479 CA MET A 93 -1.275 -6.870 -0.247 1.00 0.00 C ATOM 1480 C MET A 93 -1.747 -6.894 1.208 1.00 0.00 C ATOM 1481 O MET A 93 -0.989 -6.557 2.116 1.00 0.00 O ATOM 1482 CB MET A 93 -0.429 -8.114 -0.530 1.00 0.00 C ATOM 1483 CG MET A 93 -1.131 -9.379 -0.032 1.00 0.00 C ATOM 1484 SD MET A 93 -0.491 -10.809 -0.889 1.00 0.00 S ATOM 1485 CE MET A 93 1.236 -10.682 -0.457 1.00 0.00 C ATOM 0 H MET A 93 0.289 -5.525 0.118 1.00 0.00 H new ATOM 0 HA MET A 93 -2.152 -6.861 -0.894 1.00 0.00 H new ATOM 0 HB2 MET A 93 -0.242 -8.195 -1.601 1.00 0.00 H new ATOM 0 HB3 MET A 93 0.541 -8.017 -0.043 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.980 -9.490 1.042 1.00 0.00 H new ATOM 0 HG3 MET A 93 -2.206 -9.297 -0.196 1.00 0.00 H new ATOM 0 HE1 MET A 93 1.787 -11.504 -0.913 1.00 0.00 H new ATOM 0 HE2 MET A 93 1.633 -9.734 -0.820 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.344 -10.730 0.627 1.00 0.00 H new ATOM 1495 N ALA A 94 -2.998 -7.296 1.384 1.00 0.00 N ATOM 1496 CA ALA A 94 -3.580 -7.368 2.713 1.00 0.00 C ATOM 1497 C ALA A 94 -3.699 -8.834 3.135 1.00 0.00 C ATOM 1498 O ALA A 94 -4.067 -9.687 2.329 1.00 0.00 O ATOM 1499 CB ALA A 94 -4.930 -6.648 2.719 1.00 0.00 C ATOM 0 H ALA A 94 -3.624 -7.575 0.628 1.00 0.00 H new ATOM 0 HA ALA A 94 -2.940 -6.867 3.439 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -5.367 -6.702 3.716 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -4.787 -5.604 2.442 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -5.600 -7.125 2.003 1.00 0.00 H new ATOM 1505 N SER A 95 -3.380 -9.081 4.397 1.00 0.00 N ATOM 1506 CA SER A 95 -3.446 -10.429 4.935 1.00 0.00 C ATOM 1507 C SER A 95 -4.879 -10.959 4.844 1.00 0.00 C ATOM 1508 O SER A 95 -5.106 -12.066 4.358 1.00 0.00 O ATOM 1509 CB SER A 95 -2.957 -10.469 6.384 1.00 0.00 C ATOM 1510 OG SER A 95 -3.662 -9.548 7.211 1.00 0.00 O ATOM 0 H SER A 95 -3.075 -8.371 5.062 1.00 0.00 H new ATOM 0 HA SER A 95 -2.791 -11.066 4.341 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.078 -11.477 6.780 1.00 0.00 H new ATOM 0 HB3 SER A 95 -1.892 -10.241 6.413 1.00 0.00 H new ATOM 0 HG SER A 95 -3.322 -9.605 8.128 1.00 0.00 H new ATOM 1516 N SER A 96 -5.809 -10.144 5.319 1.00 0.00 N ATOM 1517 CA SER A 96 -7.213 -10.516 5.298 1.00 0.00 C ATOM 1518 C SER A 96 -7.963 -9.671 4.266 1.00 0.00 C ATOM 1519 O SER A 96 -7.356 -8.876 3.550 1.00 0.00 O ATOM 1520 CB SER A 96 -7.847 -10.352 6.680 1.00 0.00 C ATOM 1521 OG SER A 96 -7.015 -10.869 7.715 1.00 0.00 O ATOM 0 H SER A 96 -5.617 -9.226 5.721 1.00 0.00 H new ATOM 0 HA SER A 96 -7.284 -11.567 5.018 1.00 0.00 H new ATOM 0 HB2 SER A 96 -8.043 -9.296 6.866 1.00 0.00 H new ATOM 0 HB3 SER A 96 -8.810 -10.863 6.700 1.00 0.00 H new ATOM 0 HG SER A 96 -7.455 -10.743 8.582 1.00 0.00 H new ATOM 1527 N GLN A 97 -9.272 -9.872 4.223 1.00 0.00 N ATOM 1528 CA GLN A 97 -10.111 -9.138 3.291 1.00 0.00 C ATOM 1529 C GLN A 97 -10.666 -7.877 3.956 1.00 0.00 C ATOM 1530 O GLN A 97 -10.542 -6.780 3.415 1.00 0.00 O ATOM 1531 CB GLN A 97 -11.242 -10.021 2.759 1.00 0.00 C ATOM 1532 CG GLN A 97 -12.148 -9.238 1.807 1.00 0.00 C ATOM 1533 CD GLN A 97 -13.093 -10.176 1.054 1.00 0.00 C ATOM 1534 OE1 GLN A 97 -13.848 -10.937 1.636 1.00 0.00 O ATOM 1535 NE2 GLN A 97 -13.010 -10.080 -0.270 1.00 0.00 N ATOM 0 H GLN A 97 -9.772 -10.532 4.818 1.00 0.00 H new ATOM 0 HA GLN A 97 -9.499 -8.837 2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -10.822 -10.883 2.240 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -11.830 -10.406 3.592 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -12.728 -8.507 2.370 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -11.539 -8.681 1.095 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -12.356 -9.422 -0.694 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -13.600 -10.665 -0.862 1.00 0.00 H new ATOM 1544 N ALA A 98 -11.268 -8.076 5.120 1.00 0.00 N ATOM 1545 CA ALA A 98 -11.843 -6.969 5.864 1.00 0.00 C ATOM 1546 C ALA A 98 -10.827 -5.827 5.936 1.00 0.00 C ATOM 1547 O ALA A 98 -11.204 -4.665 6.079 1.00 0.00 O ATOM 1548 CB ALA A 98 -12.273 -7.454 7.250 1.00 0.00 C ATOM 0 H ALA A 98 -11.370 -8.988 5.566 1.00 0.00 H new ATOM 0 HA ALA A 98 -12.732 -6.589 5.361 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -12.705 -6.623 7.808 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -13.016 -8.245 7.145 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -11.406 -7.840 7.786 1.00 0.00 H new ATOM 1554 N GLU A 99 -9.559 -6.197 5.833 1.00 0.00 N ATOM 1555 CA GLU A 99 -8.487 -5.218 5.884 1.00 0.00 C ATOM 1556 C GLU A 99 -8.378 -4.480 4.548 1.00 0.00 C ATOM 1557 O GLU A 99 -8.410 -3.251 4.510 1.00 0.00 O ATOM 1558 CB GLU A 99 -7.158 -5.879 6.255 1.00 0.00 C ATOM 1559 CG GLU A 99 -6.125 -4.833 6.679 1.00 0.00 C ATOM 1560 CD GLU A 99 -5.806 -4.951 8.171 1.00 0.00 C ATOM 1561 OE1 GLU A 99 -6.764 -4.846 8.967 1.00 0.00 O ATOM 1562 OE2 GLU A 99 -4.610 -5.142 8.481 1.00 0.00 O ATOM 0 H GLU A 99 -9.250 -7.162 5.714 1.00 0.00 H new ATOM 0 HA GLU A 99 -8.723 -4.490 6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -7.315 -6.590 7.066 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -6.779 -6.445 5.404 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -5.212 -4.961 6.097 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -6.504 -3.834 6.462 1.00 0.00 H new ATOM 1569 N MET A 100 -8.251 -5.261 3.486 1.00 0.00 N ATOM 1570 CA MET A 100 -8.137 -4.697 2.152 1.00 0.00 C ATOM 1571 C MET A 100 -9.331 -3.795 1.833 1.00 0.00 C ATOM 1572 O MET A 100 -9.176 -2.755 1.196 1.00 0.00 O ATOM 1573 CB MET A 100 -8.063 -5.828 1.124 1.00 0.00 C ATOM 1574 CG MET A 100 -7.875 -5.272 -0.290 1.00 0.00 C ATOM 1575 SD MET A 100 -8.358 -6.497 -1.496 1.00 0.00 S ATOM 1576 CE MET A 100 -10.111 -6.577 -1.171 1.00 0.00 C ATOM 0 H MET A 100 -8.224 -6.280 3.522 1.00 0.00 H new ATOM 0 HA MET A 100 -7.229 -4.095 2.110 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.236 -6.494 1.370 1.00 0.00 H new ATOM 0 HB3 MET A 100 -8.975 -6.423 1.166 1.00 0.00 H new ATOM 0 HG2 MET A 100 -8.472 -4.369 -0.417 1.00 0.00 H new ATOM 0 HG3 MET A 100 -6.833 -4.989 -0.443 1.00 0.00 H new ATOM 0 HE1 MET A 100 -10.641 -6.817 -2.093 1.00 0.00 H new ATOM 0 HE2 MET A 100 -10.308 -7.349 -0.427 1.00 0.00 H new ATOM 0 HE3 MET A 100 -10.456 -5.614 -0.794 1.00 0.00 H new ATOM 1586 N GLU A 101 -10.497 -4.227 2.293 1.00 0.00 N ATOM 1587 CA GLU A 101 -11.717 -3.471 2.065 1.00 0.00 C ATOM 1588 C GLU A 101 -11.614 -2.089 2.713 1.00 0.00 C ATOM 1589 O GLU A 101 -11.795 -1.072 2.046 1.00 0.00 O ATOM 1590 CB GLU A 101 -12.938 -4.232 2.587 1.00 0.00 C ATOM 1591 CG GLU A 101 -13.791 -4.758 1.431 1.00 0.00 C ATOM 1592 CD GLU A 101 -14.167 -3.630 0.469 1.00 0.00 C ATOM 1593 OE1 GLU A 101 -14.404 -2.510 0.972 1.00 0.00 O ATOM 1594 OE2 GLU A 101 -14.209 -3.912 -0.748 1.00 0.00 O ATOM 0 H GLU A 101 -10.622 -5.090 2.822 1.00 0.00 H new ATOM 0 HA GLU A 101 -11.844 -3.338 0.991 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -12.613 -5.064 3.212 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -13.538 -3.576 3.217 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -13.243 -5.532 0.893 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -14.696 -5.222 1.824 1.00 0.00 H new ATOM 1601 N GLU A 102 -11.324 -2.097 4.006 1.00 0.00 N ATOM 1602 CA GLU A 102 -11.194 -0.856 4.751 1.00 0.00 C ATOM 1603 C GLU A 102 -10.133 0.041 4.109 1.00 0.00 C ATOM 1604 O GLU A 102 -10.318 1.253 4.009 1.00 0.00 O ATOM 1605 CB GLU A 102 -10.865 -1.130 6.220 1.00 0.00 C ATOM 1606 CG GLU A 102 -10.776 0.174 7.015 1.00 0.00 C ATOM 1607 CD GLU A 102 -12.108 0.492 7.697 1.00 0.00 C ATOM 1608 OE1 GLU A 102 -13.019 0.953 6.975 1.00 0.00 O ATOM 1609 OE2 GLU A 102 -12.186 0.268 8.924 1.00 0.00 O ATOM 0 H GLU A 102 -11.175 -2.943 4.556 1.00 0.00 H new ATOM 0 HA GLU A 102 -12.150 -0.334 4.718 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -11.631 -1.773 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -9.920 -1.668 6.290 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -9.989 0.094 7.765 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -10.500 0.992 6.349 1.00 0.00 H new ATOM 1616 N TRP A 103 -9.046 -0.590 3.692 1.00 0.00 N ATOM 1617 CA TRP A 103 -7.955 0.136 3.063 1.00 0.00 C ATOM 1618 C TRP A 103 -8.487 0.765 1.774 1.00 0.00 C ATOM 1619 O TRP A 103 -8.529 1.988 1.648 1.00 0.00 O ATOM 1620 CB TRP A 103 -6.751 -0.779 2.829 1.00 0.00 C ATOM 1621 CG TRP A 103 -5.708 -0.734 3.948 1.00 0.00 C ATOM 1622 CD1 TRP A 103 -5.248 -1.751 4.688 1.00 0.00 C ATOM 1623 CD2 TRP A 103 -5.010 0.435 4.425 1.00 0.00 C ATOM 1624 NE1 TRP A 103 -4.309 -1.326 5.605 1.00 0.00 N ATOM 1625 CE2 TRP A 103 -4.159 0.046 5.440 1.00 0.00 C ATOM 1626 CE3 TRP A 103 -5.094 1.777 4.014 1.00 0.00 C ATOM 1627 CZ2 TRP A 103 -3.328 0.939 6.127 1.00 0.00 C ATOM 1628 CZ3 TRP A 103 -4.257 2.656 4.711 1.00 0.00 C ATOM 1629 CH2 TRP A 103 -3.395 2.281 5.735 1.00 0.00 C ATOM 0 H TRP A 103 -8.897 -1.595 3.777 1.00 0.00 H new ATOM 0 HA TRP A 103 -7.594 0.931 3.715 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -7.103 -1.804 2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -6.273 -0.501 1.890 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -5.572 -2.776 4.580 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -3.816 -1.911 6.280 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -5.752 2.104 3.223 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -2.670 0.610 6.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -4.283 3.699 4.434 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -2.780 3.021 6.226 1.00 0.00 H new ATOM 1640 N VAL A 104 -8.880 -0.099 0.850 1.00 0.00 N ATOM 1641 CA VAL A 104 -9.408 0.357 -0.425 1.00 0.00 C ATOM 1642 C VAL A 104 -10.522 1.375 -0.176 1.00 0.00 C ATOM 1643 O VAL A 104 -10.558 2.430 -0.808 1.00 0.00 O ATOM 1644 CB VAL A 104 -9.867 -0.840 -1.260 1.00 0.00 C ATOM 1645 CG1 VAL A 104 -10.590 -0.380 -2.527 1.00 0.00 C ATOM 1646 CG2 VAL A 104 -8.689 -1.755 -1.601 1.00 0.00 C ATOM 0 H VAL A 104 -8.843 -1.113 0.959 1.00 0.00 H new ATOM 0 HA VAL A 104 -8.632 0.860 -1.002 1.00 0.00 H new ATOM 0 HB VAL A 104 -10.574 -1.414 -0.662 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -10.906 -1.250 -3.102 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.464 0.210 -2.253 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -9.916 0.228 -3.130 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -9.043 -2.598 -2.195 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -7.947 -1.196 -2.171 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -8.237 -2.124 -0.681 1.00 0.00 H new ATOM 1656 N LYS A 105 -11.406 1.024 0.747 1.00 0.00 N ATOM 1657 CA LYS A 105 -12.519 1.894 1.088 1.00 0.00 C ATOM 1658 C LYS A 105 -12.021 3.337 1.183 1.00 0.00 C ATOM 1659 O LYS A 105 -12.428 4.191 0.397 1.00 0.00 O ATOM 1660 CB LYS A 105 -13.217 1.399 2.356 1.00 0.00 C ATOM 1661 CG LYS A 105 -14.409 2.290 2.709 1.00 0.00 C ATOM 1662 CD LYS A 105 -14.036 3.301 3.795 1.00 0.00 C ATOM 1663 CE LYS A 105 -14.359 2.755 5.187 1.00 0.00 C ATOM 1664 NZ LYS A 105 -15.590 3.383 5.717 1.00 0.00 N ATOM 0 H LYS A 105 -11.374 0.149 1.269 1.00 0.00 H new ATOM 0 HA LYS A 105 -13.277 1.869 0.305 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -13.555 0.373 2.212 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -12.509 1.388 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -14.750 2.817 1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -15.240 1.673 3.051 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -12.973 3.535 3.730 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -14.578 4.233 3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -14.487 1.674 5.139 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -13.525 2.948 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -15.795 3.001 6.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -15.455 4.412 5.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -16.386 3.177 5.081 1.00 0.00 H new ATOM 1678 N PHE A 106 -11.147 3.566 2.153 1.00 0.00 N ATOM 1679 CA PHE A 106 -10.590 4.891 2.361 1.00 0.00 C ATOM 1680 C PHE A 106 -9.835 5.370 1.119 1.00 0.00 C ATOM 1681 O PHE A 106 -10.134 6.433 0.578 1.00 0.00 O ATOM 1682 CB PHE A 106 -9.609 4.785 3.530 1.00 0.00 C ATOM 1683 CG PHE A 106 -10.275 4.832 4.907 1.00 0.00 C ATOM 1684 CD1 PHE A 106 -11.012 5.916 5.270 1.00 0.00 C ATOM 1685 CD2 PHE A 106 -10.130 3.789 5.768 1.00 0.00 C ATOM 1686 CE1 PHE A 106 -11.630 5.959 6.548 1.00 0.00 C ATOM 1687 CE2 PHE A 106 -10.748 3.832 7.046 1.00 0.00 C ATOM 1688 CZ PHE A 106 -11.485 4.916 7.409 1.00 0.00 C ATOM 0 H PHE A 106 -10.811 2.855 2.803 1.00 0.00 H new ATOM 0 HA PHE A 106 -11.390 5.603 2.564 1.00 0.00 H new ATOM 0 HB2 PHE A 106 -9.051 3.853 3.439 1.00 0.00 H new ATOM 0 HB3 PHE A 106 -8.886 5.598 3.459 1.00 0.00 H new ATOM 0 HD1 PHE A 106 -11.127 6.744 4.586 1.00 0.00 H new ATOM 0 HD2 PHE A 106 -9.545 2.928 5.480 1.00 0.00 H new ATOM 0 HE1 PHE A 106 -12.215 6.820 6.836 1.00 0.00 H new ATOM 0 HE2 PHE A 106 -10.633 3.004 7.730 1.00 0.00 H new ATOM 0 HZ PHE A 106 -11.955 4.949 8.381 1.00 0.00 H new ATOM 1698 N LEU A 107 -8.871 4.562 0.704 1.00 0.00 N ATOM 1699 CA LEU A 107 -8.071 4.889 -0.464 1.00 0.00 C ATOM 1700 C LEU A 107 -8.983 5.433 -1.566 1.00 0.00 C ATOM 1701 O LEU A 107 -8.903 6.608 -1.919 1.00 0.00 O ATOM 1702 CB LEU A 107 -7.236 3.683 -0.897 1.00 0.00 C ATOM 1703 CG LEU A 107 -6.088 3.292 0.037 1.00 0.00 C ATOM 1704 CD1 LEU A 107 -5.735 1.811 -0.119 1.00 0.00 C ATOM 1705 CD2 LEU A 107 -4.873 4.196 -0.178 1.00 0.00 C ATOM 0 H LEU A 107 -8.626 3.681 1.156 1.00 0.00 H new ATOM 0 HA LEU A 107 -7.354 5.675 -0.226 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -7.900 2.825 -1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -6.821 3.889 -1.884 1.00 0.00 H new ATOM 0 HG LEU A 107 -6.420 3.438 1.065 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -4.917 1.559 0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -6.606 1.202 0.124 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -5.431 1.616 -1.147 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -4.072 3.896 0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -4.530 4.106 -1.209 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -5.149 5.231 0.023 1.00 0.00 H new ATOM 1717 N ARG A 108 -9.830 4.551 -2.077 1.00 0.00 N ATOM 1718 CA ARG A 108 -10.756 4.928 -3.131 1.00 0.00 C ATOM 1719 C ARG A 108 -11.566 6.156 -2.712 1.00 0.00 C ATOM 1720 O ARG A 108 -11.647 7.134 -3.455 1.00 0.00 O ATOM 1721 CB ARG A 108 -11.714 3.781 -3.459 1.00 0.00 C ATOM 1722 CG ARG A 108 -11.526 3.303 -4.900 1.00 0.00 C ATOM 1723 CD ARG A 108 -11.108 1.832 -4.940 1.00 0.00 C ATOM 1724 NE ARG A 108 -11.388 1.263 -6.278 1.00 0.00 N ATOM 1725 CZ ARG A 108 -12.592 0.823 -6.670 1.00 0.00 C ATOM 1726 NH1 ARG A 108 -13.634 0.884 -5.830 1.00 0.00 N ATOM 1727 NH2 ARG A 108 -12.753 0.322 -7.902 1.00 0.00 N ATOM 0 H ARG A 108 -9.894 3.577 -1.781 1.00 0.00 H new ATOM 0 HA ARG A 108 -10.169 5.162 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG A 108 -11.543 2.952 -2.772 1.00 0.00 H new ATOM 0 HB3 ARG A 108 -12.743 4.109 -3.312 1.00 0.00 H new ATOM 0 HG2 ARG A 108 -12.455 3.436 -5.455 1.00 0.00 H new ATOM 0 HG3 ARG A 108 -10.770 3.913 -5.393 1.00 0.00 H new ATOM 0 HD2 ARG A 108 -10.046 1.741 -4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 108 -11.647 1.271 -4.177 1.00 0.00 H new ATOM 0 HE ARG A 108 -10.617 1.202 -6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 108 -13.511 1.265 -4.892 1.00 0.00 H new ATOM 0 HH12 ARG A 108 -14.550 0.549 -6.129 1.00 0.00 H new ATOM 0 HH21 ARG A 108 -11.960 0.275 -8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 108 -13.669 -0.013 -8.201 1.00 0.00 H new ATOM 1741 N ARG A 109 -12.145 6.066 -1.524 1.00 0.00 N ATOM 1742 CA ARG A 109 -12.946 7.158 -0.997 1.00 0.00 C ATOM 1743 C ARG A 109 -12.275 8.500 -1.294 1.00 0.00 C ATOM 1744 O ARG A 109 -12.747 9.262 -2.136 1.00 0.00 O ATOM 1745 CB ARG A 109 -13.144 7.017 0.513 1.00 0.00 C ATOM 1746 CG ARG A 109 -14.078 8.104 1.048 1.00 0.00 C ATOM 1747 CD ARG A 109 -13.378 8.956 2.109 1.00 0.00 C ATOM 1748 NE ARG A 109 -14.287 10.024 2.582 1.00 0.00 N ATOM 1749 CZ ARG A 109 -14.478 11.185 1.942 1.00 0.00 C ATOM 1750 NH1 ARG A 109 -13.825 11.436 0.799 1.00 0.00 N ATOM 1751 NH2 ARG A 109 -15.322 12.096 2.445 1.00 0.00 N ATOM 0 H ARG A 109 -12.076 5.254 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 109 -13.920 7.120 -1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -13.557 6.034 0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -12.180 7.081 1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -14.410 8.740 0.227 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -14.969 7.644 1.476 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -13.073 8.329 2.947 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -12.472 9.396 1.694 1.00 0.00 H new ATOM 0 HE ARG A 109 -14.800 9.866 3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -13.182 10.743 0.416 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -13.971 12.320 0.312 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -15.819 11.905 3.315 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -15.468 12.980 1.958 1.00 0.00 H new ATOM 1765 N VAL A 110 -11.183 8.748 -0.585 1.00 0.00 N ATOM 1766 CA VAL A 110 -10.441 9.985 -0.762 1.00 0.00 C ATOM 1767 C VAL A 110 -10.173 10.206 -2.252 1.00 0.00 C ATOM 1768 O VAL A 110 -10.487 11.266 -2.793 1.00 0.00 O ATOM 1769 CB VAL A 110 -9.162 9.953 0.077 1.00 0.00 C ATOM 1770 CG1 VAL A 110 -8.393 11.270 -0.045 1.00 0.00 C ATOM 1771 CG2 VAL A 110 -9.474 9.634 1.541 1.00 0.00 C ATOM 0 H VAL A 110 -10.794 8.114 0.113 1.00 0.00 H new ATOM 0 HA VAL A 110 -11.025 10.834 -0.408 1.00 0.00 H new ATOM 0 HB VAL A 110 -8.527 9.157 -0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -7.488 11.221 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -8.123 11.438 -1.087 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -9.019 12.091 0.304 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -8.548 9.617 2.115 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -10.138 10.397 1.946 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.959 8.660 1.606 1.00 0.00 H new ATOM 1781 N ALA A 111 -9.597 9.188 -2.874 1.00 0.00 N ATOM 1782 CA ALA A 111 -9.283 9.258 -4.291 1.00 0.00 C ATOM 1783 C ALA A 111 -10.524 9.713 -5.062 1.00 0.00 C ATOM 1784 O ALA A 111 -10.410 10.307 -6.133 1.00 0.00 O ATOM 1785 CB ALA A 111 -8.768 7.898 -4.767 1.00 0.00 C ATOM 0 H ALA A 111 -9.340 8.310 -2.423 1.00 0.00 H new ATOM 0 HA ALA A 111 -8.495 9.988 -4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -8.532 7.950 -5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -7.870 7.633 -4.209 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -9.534 7.141 -4.602 1.00 0.00 H new ATOM 1791 N GLY A 112 -11.680 9.419 -4.486 1.00 0.00 N ATOM 1792 CA GLY A 112 -12.941 9.791 -5.106 1.00 0.00 C ATOM 1793 C GLY A 112 -13.112 9.098 -6.459 1.00 0.00 C ATOM 1794 O GLY A 112 -12.762 9.659 -7.497 1.00 0.00 O ATOM 0 H GLY A 112 -11.770 8.928 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -13.767 9.521 -4.448 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -12.980 10.872 -5.240 1.00 0.00 H new ATOM 1798 N SER A 113 -13.650 7.889 -6.405 1.00 0.00 N ATOM 1799 CA SER A 113 -13.872 7.114 -7.614 1.00 0.00 C ATOM 1800 C SER A 113 -14.934 6.042 -7.361 1.00 0.00 C ATOM 1801 O SER A 113 -14.675 5.057 -6.671 1.00 0.00 O ATOM 1802 CB SER A 113 -12.573 6.469 -8.101 1.00 0.00 C ATOM 1803 OG SER A 113 -11.966 7.218 -9.151 1.00 0.00 O ATOM 0 H SER A 113 -13.939 7.427 -5.543 1.00 0.00 H new ATOM 0 HA SER A 113 -14.225 7.790 -8.393 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.876 6.383 -7.267 1.00 0.00 H new ATOM 0 HB3 SER A 113 -12.779 5.457 -8.450 1.00 0.00 H new ATOM 0 HG SER A 113 -12.049 8.176 -8.960 1.00 0.00 H new ATOM 1809 N GLY A 114 -16.107 6.270 -7.933 1.00 0.00 N ATOM 1810 CA GLY A 114 -17.210 5.336 -7.778 1.00 0.00 C ATOM 1811 C GLY A 114 -18.348 5.960 -6.968 1.00 0.00 C ATOM 1812 O GLY A 114 -18.315 7.151 -6.662 1.00 0.00 O ATOM 0 H GLY A 114 -16.318 7.088 -8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -17.579 5.037 -8.759 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -16.858 4.432 -7.281 1.00 0.00 H new ATOM 1816 N PRO A 115 -19.353 5.107 -6.636 1.00 0.00 N ATOM 1817 CA PRO A 115 -20.499 5.562 -5.868 1.00 0.00 C ATOM 1818 C PRO A 115 -20.130 5.756 -4.396 1.00 0.00 C ATOM 1819 O PRO A 115 -19.356 4.978 -3.839 1.00 0.00 O ATOM 1820 CB PRO A 115 -21.562 4.497 -6.079 1.00 0.00 C ATOM 1821 CG PRO A 115 -20.825 3.263 -6.573 1.00 0.00 C ATOM 1822 CD PRO A 115 -19.424 3.690 -6.982 1.00 0.00 C ATOM 0 HA PRO A 115 -20.862 6.537 -6.192 1.00 0.00 H new ATOM 0 HB2 PRO A 115 -22.095 4.288 -5.151 1.00 0.00 H new ATOM 0 HB3 PRO A 115 -22.305 4.825 -6.806 1.00 0.00 H new ATOM 0 HG2 PRO A 115 -20.780 2.506 -5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 115 -21.350 2.817 -7.418 1.00 0.00 H new ATOM 0 HD2 PRO A 115 -18.664 3.115 -6.453 1.00 0.00 H new ATOM 0 HD3 PRO A 115 -19.258 3.534 -8.048 1.00 0.00 H new ATOM 1830 N SER A 116 -20.702 6.796 -3.808 1.00 0.00 N ATOM 1831 CA SER A 116 -20.443 7.101 -2.411 1.00 0.00 C ATOM 1832 C SER A 116 -21.749 7.474 -1.706 1.00 0.00 C ATOM 1833 O SER A 116 -22.403 8.448 -2.077 1.00 0.00 O ATOM 1834 CB SER A 116 -19.424 8.234 -2.274 1.00 0.00 C ATOM 1835 OG SER A 116 -19.875 9.436 -2.893 1.00 0.00 O ATOM 0 H SER A 116 -21.344 7.438 -4.273 1.00 0.00 H new ATOM 0 HA SER A 116 -20.023 6.212 -1.939 1.00 0.00 H new ATOM 0 HB2 SER A 116 -19.230 8.421 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 116 -18.479 7.928 -2.723 1.00 0.00 H new ATOM 0 HG SER A 116 -20.855 9.441 -2.923 1.00 0.00 H new ATOM 1841 N SER A 117 -22.089 6.680 -0.702 1.00 0.00 N ATOM 1842 CA SER A 117 -23.305 6.915 0.058 1.00 0.00 C ATOM 1843 C SER A 117 -23.312 8.343 0.607 1.00 0.00 C ATOM 1844 O SER A 117 -22.412 8.731 1.350 1.00 0.00 O ATOM 1845 CB SER A 117 -23.444 5.907 1.201 1.00 0.00 C ATOM 1846 OG SER A 117 -24.437 4.923 0.927 1.00 0.00 O ATOM 0 H SER A 117 -21.544 5.873 -0.397 1.00 0.00 H new ATOM 0 HA SER A 117 -24.156 6.785 -0.611 1.00 0.00 H new ATOM 0 HB2 SER A 117 -22.485 5.417 1.371 1.00 0.00 H new ATOM 0 HB3 SER A 117 -23.700 6.434 2.120 1.00 0.00 H new ATOM 0 HG SER A 117 -24.494 4.298 1.679 1.00 0.00 H new ATOM 1852 N GLY A 118 -24.338 9.087 0.219 1.00 0.00 N ATOM 1853 CA GLY A 118 -24.474 10.464 0.663 1.00 0.00 C ATOM 1854 C GLY A 118 -24.331 10.567 2.182 1.00 0.00 C ATOM 1855 O GLY A 118 -24.994 11.385 2.818 1.00 0.00 O ATOM 0 H GLY A 118 -25.083 8.762 -0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 118 -23.717 11.082 0.180 1.00 0.00 H new ATOM 0 HA3 GLY A 118 -25.445 10.854 0.358 1.00 0.00 H new TER 1859 GLY A 118