USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 806 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 41 ASN : amide:sc= 0.802 K(o=0.28,f=-2) USER MOD Set 1.2: A 45 GLN : amide:sc= 0.706 K(o=0.28,f=-3) USER MOD Set 1.3: A 131 THR OG1 : rot 180:sc= -1.23 USER MOD Set 2.1: A 62 GLN : amide:sc= 1.04 K(o=1.8,f=-3.4) USER MOD Set 2.2: A 122 ASN : amide:sc= 0.781 K(o=1.8,f=-3.4!) USER MOD Set 3.1: A 113 SER OG : rot 180:sc= 0.907 USER MOD Set 3.2: A 115 SER OG : rot -84:sc= 1.03 USER MOD Set 4.1: A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 4.2: A 82 GLN :FLIP amide:sc= -0.0155 F(o=-1.2,f=-0.015) USER MOD Set 5.1: A 68 SER OG : rot -11:sc= 0.0224 USER MOD Set 5.2: A 126 HIS :FLIP no HD1:sc= -2.38! C(o=-5.3!,f=-2.4!) USER MOD Set 6.1: A 47 GLN : amide:sc= 0.743 K(o=1.7,f=-2.7) USER MOD Set 6.2: A 58 MET CE :methyl 168:sc= -0.559 (180deg=-1.03) USER MOD Set 6.3: A 98 THR OG1 : rot 139:sc= 0.837 USER MOD Set 6.4: A 100 THR OG1 : rot 160:sc= 0.358 USER MOD Set 6.5: A 127 SER OG : rot 87:sc= 0.336 USER MOD Set 7.1: A 42 SER OG : rot 180:sc= 0.185 USER MOD Set 7.2: A 43 LYS NZ :NH3+ -171:sc= 1.5 (180deg=1.05) USER MOD Single : A 27 SER OG : rot -2:sc= 1.03 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= 0.529 K(o=0.53,f=-6.2!) USER MOD Single : A 38 THR OG1 : rot -59:sc= -1.03! USER MOD Single : A 40 SER OG : rot 150:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= -0.892! C(o=-0.89!,f=-3!) USER MOD Single : A 61 SER OG : rot 111:sc= -0.164 USER MOD Single : A 63 SER OG : rot -97:sc= 1.36 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 GLN : amide:sc= -0.285 X(o=-0.28,f=0) USER MOD Single : A 75 SER OG : rot 53:sc= 1.19 USER MOD Single : A 76 GLN : amide:sc= -1.09 K(o=-1.1,f=-5.6!) USER MOD Single : A 78 SER OG : rot 86:sc= 0.997 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= -1.65! USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.327 X(o=-0.33,f=-0.11) USER MOD Single : A 103 SER OG : rot 180:sc= 0.0404 USER MOD Single : A 104 SER OG : rot -84:sc= 1.27 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HD1:sc= -0.202 X(o=-0.2,f=0.033) USER MOD Single : A 120 SER OG : rot -83:sc= 0.799 USER MOD Single : A 124 MET CE :methyl 159:sc= -0.147 (180deg=-0.76) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -9.318 -2.409 15.088 1.00 0.00 N ATOM 2 CA ARG A 25 -9.168 -1.668 13.813 1.00 0.00 C ATOM 3 C ARG A 25 -7.749 -1.784 13.284 1.00 0.00 C ATOM 4 O ARG A 25 -6.795 -1.912 14.053 1.00 0.00 O ATOM 5 CB ARG A 25 -9.502 -0.183 13.994 1.00 0.00 C ATOM 6 CG ARG A 25 -10.959 0.099 14.307 1.00 0.00 C ATOM 7 CD ARG A 25 -11.208 1.591 14.480 1.00 0.00 C ATOM 8 NE ARG A 25 -10.949 2.347 13.254 1.00 0.00 N ATOM 9 CZ ARG A 25 -10.842 3.672 13.214 1.00 0.00 C ATOM 10 NH1 ARG A 25 -10.926 4.377 14.332 1.00 0.00 N ATOM 11 NH2 ARG A 25 -10.651 4.300 12.064 1.00 0.00 N ATOM 0 HA ARG A 25 -9.864 -2.112 13.101 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -8.886 0.220 14.798 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.229 0.352 13.084 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -11.587 -0.286 13.504 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -11.246 -0.428 15.217 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -12.241 1.750 14.790 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -10.573 1.972 15.279 1.00 0.00 H new ATOM 0 HE ARG A 25 -10.845 1.829 12.382 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -11.073 3.904 15.224 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -10.844 5.393 14.301 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -10.585 3.767 11.197 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.570 5.317 12.045 1.00 0.00 H new ATOM 23 N LEU A 26 -7.633 -1.771 11.965 1.00 0.00 N ATOM 24 CA LEU A 26 -6.350 -1.676 11.289 1.00 0.00 C ATOM 25 C LEU A 26 -6.488 -0.725 10.111 1.00 0.00 C ATOM 26 O LEU A 26 -6.579 -1.145 8.962 1.00 0.00 O ATOM 27 CB LEU A 26 -5.861 -3.049 10.810 1.00 0.00 C ATOM 28 CG LEU A 26 -5.321 -3.978 11.904 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.948 -5.328 11.317 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.113 -3.357 12.586 1.00 0.00 C ATOM 0 H LEU A 26 -8.430 -1.826 11.331 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.609 -1.297 11.993 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.685 -3.553 10.305 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.077 -2.897 10.068 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.106 -4.121 12.647 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.567 -5.975 12.107 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.829 -5.785 10.867 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.180 -5.194 10.555 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.745 -4.032 13.359 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.328 -3.186 11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.399 -2.408 13.039 1.00 0.00 H new ATOM 42 N SER A 27 -6.551 0.554 10.413 1.00 0.00 N ATOM 43 CA SER A 27 -6.723 1.573 9.398 1.00 0.00 C ATOM 44 C SER A 27 -5.607 2.601 9.506 1.00 0.00 C ATOM 45 O SER A 27 -4.960 2.712 10.546 1.00 0.00 O ATOM 46 CB SER A 27 -8.088 2.245 9.570 1.00 0.00 C ATOM 47 OG SER A 27 -8.273 2.711 10.898 1.00 0.00 O ATOM 0 H SER A 27 -6.485 0.916 11.364 1.00 0.00 H new ATOM 0 HA SER A 27 -6.679 1.114 8.410 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.174 3.080 8.875 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.878 1.537 9.318 1.00 0.00 H new ATOM 0 HG SER A 27 -7.494 2.470 11.441 1.00 0.00 H new ATOM 53 N TRP A 28 -5.395 3.364 8.438 1.00 0.00 N ATOM 54 CA TRP A 28 -4.320 4.353 8.403 1.00 0.00 C ATOM 55 C TRP A 28 -4.639 5.585 9.262 1.00 0.00 C ATOM 56 O TRP A 28 -3.999 6.629 9.129 1.00 0.00 O ATOM 57 CB TRP A 28 -4.010 4.760 6.952 1.00 0.00 C ATOM 58 CG TRP A 28 -5.217 5.134 6.132 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.336 5.792 6.558 1.00 0.00 C ATOM 60 CD2 TRP A 28 -5.411 4.886 4.732 1.00 0.00 C ATOM 61 NE1 TRP A 28 -7.216 5.954 5.518 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.671 5.411 4.386 1.00 0.00 C ATOM 63 CE3 TRP A 28 -4.644 4.268 3.739 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -7.179 5.338 3.091 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -5.148 4.197 2.453 1.00 0.00 C ATOM 66 CH2 TRP A 28 -6.407 4.729 2.141 1.00 0.00 C ATOM 0 H TRP A 28 -5.953 3.317 7.585 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.433 3.887 8.833 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.321 5.604 6.965 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.495 3.935 6.460 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.504 6.135 7.568 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.128 6.406 5.579 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.675 3.853 3.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -8.148 5.748 2.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.563 3.725 1.678 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -6.775 4.656 1.128 1.00 0.00 H new ATOM 77 N TYR A 29 -5.630 5.455 10.138 1.00 0.00 N ATOM 78 CA TYR A 29 -5.960 6.501 11.093 1.00 0.00 C ATOM 79 C TYR A 29 -5.820 5.982 12.520 1.00 0.00 C ATOM 80 O TYR A 29 -6.208 6.652 13.477 1.00 0.00 O ATOM 81 CB TYR A 29 -7.375 7.033 10.857 1.00 0.00 C ATOM 82 CG TYR A 29 -7.411 8.261 9.973 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.131 8.170 8.616 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.713 9.513 10.496 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.149 9.290 7.806 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.735 10.636 9.692 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.452 10.519 8.348 1.00 0.00 C ATOM 88 OH TYR A 29 -7.465 11.639 7.545 1.00 0.00 O ATOM 0 H TYR A 29 -6.222 4.627 10.204 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.260 7.324 10.949 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.980 6.248 10.403 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.831 7.271 11.818 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.895 7.208 8.186 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.934 9.609 11.549 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.926 9.202 6.753 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.973 11.601 10.114 1.00 0.00 H new ATOM 0 HH TYR A 29 -7.699 12.424 8.083 1.00 0.00 H new ATOM 98 N ASP A 30 -5.266 4.783 12.657 1.00 0.00 N ATOM 99 CA ASP A 30 -5.012 4.210 13.971 1.00 0.00 C ATOM 100 C ASP A 30 -3.664 4.676 14.496 1.00 0.00 C ATOM 101 O ASP A 30 -2.675 4.707 13.764 1.00 0.00 O ATOM 102 CB ASP A 30 -5.074 2.682 13.937 1.00 0.00 C ATOM 103 CG ASP A 30 -6.494 2.170 13.834 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.271 2.387 14.787 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.836 1.546 12.810 1.00 0.00 O ATOM 0 H ASP A 30 -4.985 4.191 11.875 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.794 4.558 14.646 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.495 2.315 13.089 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.609 2.281 14.838 1.00 0.00 H new ATOM 110 N PRO A 31 -3.621 5.029 15.790 1.00 0.00 N ATOM 111 CA PRO A 31 -2.463 5.686 16.417 1.00 0.00 C ATOM 112 C PRO A 31 -1.170 4.880 16.333 1.00 0.00 C ATOM 113 O PRO A 31 -0.078 5.442 16.421 1.00 0.00 O ATOM 114 CB PRO A 31 -2.890 5.845 17.880 1.00 0.00 C ATOM 115 CG PRO A 31 -4.372 5.760 17.862 1.00 0.00 C ATOM 116 CD PRO A 31 -4.712 4.816 16.752 1.00 0.00 C ATOM 0 HA PRO A 31 -2.229 6.621 15.908 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.458 5.063 18.504 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.555 6.799 18.287 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.755 5.396 18.816 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.818 6.740 17.692 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.749 3.783 17.098 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.685 5.041 16.315 1.00 0.00 H new ATOM 124 N ASP A 32 -1.286 3.569 16.185 1.00 0.00 N ATOM 125 CA ASP A 32 -0.107 2.715 16.106 1.00 0.00 C ATOM 126 C ASP A 32 -0.045 1.966 14.779 1.00 0.00 C ATOM 127 O ASP A 32 0.608 0.925 14.674 1.00 0.00 O ATOM 128 CB ASP A 32 -0.068 1.724 17.276 1.00 0.00 C ATOM 129 CG ASP A 32 -1.248 0.771 17.290 1.00 0.00 C ATOM 130 OD1 ASP A 32 -2.327 1.162 17.781 1.00 0.00 O ATOM 131 OD2 ASP A 32 -1.098 -0.381 16.835 1.00 0.00 O ATOM 0 H ASP A 32 -2.176 3.075 16.117 1.00 0.00 H new ATOM 0 HA ASP A 32 0.767 3.364 16.169 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.856 1.148 17.225 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.046 2.279 18.214 1.00 0.00 H new ATOM 136 N PHE A 33 -0.715 2.495 13.762 1.00 0.00 N ATOM 137 CA PHE A 33 -0.670 1.888 12.440 1.00 0.00 C ATOM 138 C PHE A 33 0.626 2.272 11.741 1.00 0.00 C ATOM 139 O PHE A 33 0.853 3.440 11.422 1.00 0.00 O ATOM 140 CB PHE A 33 -1.867 2.319 11.590 1.00 0.00 C ATOM 141 CG PHE A 33 -1.984 1.559 10.297 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.578 0.309 10.271 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.505 2.097 9.112 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.694 -0.393 9.087 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.617 1.399 7.926 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.213 0.154 7.913 1.00 0.00 C ATOM 0 H PHE A 33 -1.290 3.335 13.827 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.714 0.806 12.561 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.781 2.183 12.167 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.784 3.384 11.371 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.955 -0.122 11.187 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.040 3.072 9.117 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.160 -1.367 9.079 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.239 1.827 7.009 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.303 -0.392 6.986 1.00 0.00 H new ATOM 156 N GLN A 34 1.478 1.291 11.510 1.00 0.00 N ATOM 157 CA GLN A 34 2.758 1.538 10.876 1.00 0.00 C ATOM 158 C GLN A 34 2.742 1.100 9.422 1.00 0.00 C ATOM 159 O GLN A 34 2.180 0.058 9.075 1.00 0.00 O ATOM 160 CB GLN A 34 3.882 0.828 11.634 1.00 0.00 C ATOM 161 CG GLN A 34 4.214 1.482 12.964 1.00 0.00 C ATOM 162 CD GLN A 34 4.636 2.930 12.811 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.806 3.837 12.834 1.00 0.00 O ATOM 164 NE2 GLN A 34 5.931 3.156 12.658 1.00 0.00 N ATOM 0 H GLN A 34 1.306 0.315 11.752 1.00 0.00 H new ATOM 0 HA GLN A 34 2.943 2.612 10.905 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.595 -0.209 11.808 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.777 0.811 11.012 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.344 1.428 13.619 1.00 0.00 H new ATOM 0 HG3 GLN A 34 5.014 0.923 13.450 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.587 2.375 12.644 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.273 4.111 12.554 1.00 0.00 H new ATOM 173 N ALA A 35 3.358 1.912 8.578 1.00 0.00 N ATOM 174 CA ALA A 35 3.480 1.614 7.166 1.00 0.00 C ATOM 175 C ALA A 35 4.803 2.153 6.650 1.00 0.00 C ATOM 176 O ALA A 35 5.393 3.048 7.261 1.00 0.00 O ATOM 177 CB ALA A 35 2.316 2.208 6.387 1.00 0.00 C ATOM 0 H ALA A 35 3.786 2.795 8.855 1.00 0.00 H new ATOM 0 HA ALA A 35 3.455 0.533 7.026 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.428 1.972 5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.380 1.788 6.755 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.305 3.290 6.518 1.00 0.00 H new ATOM 183 N ARG A 36 5.281 1.594 5.552 1.00 0.00 N ATOM 184 CA ARG A 36 6.523 2.042 4.952 1.00 0.00 C ATOM 185 C ARG A 36 6.532 1.717 3.469 1.00 0.00 C ATOM 186 O ARG A 36 5.694 0.954 2.984 1.00 0.00 O ATOM 187 CB ARG A 36 7.729 1.384 5.628 1.00 0.00 C ATOM 188 CG ARG A 36 7.879 -0.098 5.307 1.00 0.00 C ATOM 189 CD ARG A 36 9.156 -0.679 5.893 1.00 0.00 C ATOM 190 NE ARG A 36 9.355 -2.064 5.485 1.00 0.00 N ATOM 191 CZ ARG A 36 10.316 -2.848 5.949 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.197 -2.387 6.829 1.00 0.00 N ATOM 193 NH2 ARG A 36 10.400 -4.092 5.519 1.00 0.00 N ATOM 0 H ARG A 36 4.825 0.827 5.058 1.00 0.00 H new ATOM 0 HA ARG A 36 6.594 3.121 5.090 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.635 1.906 5.322 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.640 1.506 6.708 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.020 -0.643 5.698 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.880 -0.237 4.226 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.009 -0.080 5.574 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.116 -0.622 6.981 1.00 0.00 H new ATOM 0 HE ARG A 36 8.712 -2.455 4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.137 -1.422 7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.934 -2.998 7.181 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.729 -4.442 4.835 1.00 0.00 H new ATOM 0 HH22 ARG A 36 11.136 -4.704 5.870 1.00 0.00 H new ATOM 206 N LEU A 37 7.472 2.302 2.756 1.00 0.00 N ATOM 207 CA LEU A 37 7.635 2.034 1.342 1.00 0.00 C ATOM 208 C LEU A 37 8.961 1.342 1.099 1.00 0.00 C ATOM 209 O LEU A 37 10.016 1.882 1.436 1.00 0.00 O ATOM 210 CB LEU A 37 7.585 3.342 0.552 1.00 0.00 C ATOM 211 CG LEU A 37 6.280 4.127 0.679 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.433 5.521 0.100 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.154 3.395 -0.025 1.00 0.00 C ATOM 0 H LEU A 37 8.140 2.972 3.137 1.00 0.00 H new ATOM 0 HA LEU A 37 6.824 1.385 1.010 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.407 3.978 0.880 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.756 3.119 -0.501 1.00 0.00 H new ATOM 0 HG LEU A 37 6.038 4.215 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.492 6.062 0.201 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.218 6.054 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.699 5.450 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.231 3.966 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.399 3.281 -1.081 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.022 2.411 0.425 1.00 0.00 H new ATOM 225 N THR A 38 8.914 0.137 0.552 1.00 0.00 N ATOM 226 CA THR A 38 10.134 -0.528 0.136 1.00 0.00 C ATOM 227 C THR A 38 10.822 0.333 -0.907 1.00 0.00 C ATOM 228 O THR A 38 10.193 0.723 -1.890 1.00 0.00 O ATOM 229 CB THR A 38 9.871 -1.936 -0.429 1.00 0.00 C ATOM 230 OG1 THR A 38 8.763 -1.907 -1.335 1.00 0.00 O ATOM 231 CG2 THR A 38 9.597 -2.924 0.689 1.00 0.00 C ATOM 0 H THR A 38 8.057 -0.392 0.389 1.00 0.00 H new ATOM 0 HA THR A 38 10.771 -0.655 1.011 1.00 0.00 H new ATOM 0 HB THR A 38 10.763 -2.259 -0.965 1.00 0.00 H new ATOM 0 HG1 THR A 38 7.967 -1.576 -0.868 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.414 -3.911 0.265 1.00 0.00 H new ATOM 0 HG22 THR A 38 10.459 -2.969 1.354 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.721 -2.603 1.252 1.00 0.00 H new ATOM 239 N ARG A 39 12.097 0.635 -0.669 1.00 0.00 N ATOM 240 CA ARG A 39 12.816 1.660 -1.423 1.00 0.00 C ATOM 241 C ARG A 39 12.556 1.571 -2.920 1.00 0.00 C ATOM 242 O ARG A 39 11.869 2.429 -3.466 1.00 0.00 O ATOM 243 CB ARG A 39 14.317 1.597 -1.133 1.00 0.00 C ATOM 244 CG ARG A 39 14.676 2.038 0.276 1.00 0.00 C ATOM 245 CD ARG A 39 16.156 1.860 0.562 1.00 0.00 C ATOM 246 NE ARG A 39 16.997 2.625 -0.356 1.00 0.00 N ATOM 247 CZ ARG A 39 18.149 3.179 -0.001 1.00 0.00 C ATOM 248 NH1 ARG A 39 18.539 3.146 1.266 1.00 0.00 N ATOM 249 NH2 ARG A 39 18.908 3.783 -0.900 1.00 0.00 N ATOM 0 H ARG A 39 12.659 0.178 0.049 1.00 0.00 H new ATOM 0 HA ARG A 39 12.433 2.624 -1.088 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.667 0.576 -1.287 1.00 0.00 H new ATOM 0 HB3 ARG A 39 14.845 2.227 -1.849 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.403 3.085 0.410 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.095 1.462 0.996 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.365 2.170 1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.413 0.803 0.490 1.00 0.00 H new ATOM 0 HE ARG A 39 16.682 2.739 -1.319 1.00 0.00 H new ATOM 0 HH11 ARG A 39 17.953 2.694 1.968 1.00 0.00 H new ATOM 0 HH12 ARG A 39 19.425 3.572 1.538 1.00 0.00 H new ATOM 0 HH21 ARG A 39 18.609 3.825 -1.874 1.00 0.00 H new ATOM 0 HH22 ARG A 39 19.792 4.207 -0.619 1.00 0.00 H new ATOM 262 N SER A 40 13.081 0.531 -3.568 1.00 0.00 N ATOM 263 CA SER A 40 12.918 0.343 -5.014 1.00 0.00 C ATOM 264 C SER A 40 13.654 1.441 -5.793 1.00 0.00 C ATOM 265 O SER A 40 14.558 1.155 -6.579 1.00 0.00 O ATOM 266 CB SER A 40 11.429 0.313 -5.393 1.00 0.00 C ATOM 267 OG SER A 40 11.243 -0.105 -6.735 1.00 0.00 O ATOM 0 H SER A 40 13.627 -0.200 -3.112 1.00 0.00 H new ATOM 0 HA SER A 40 13.358 -0.617 -5.283 1.00 0.00 H new ATOM 0 HB2 SER A 40 10.896 -0.362 -4.723 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.998 1.305 -5.257 1.00 0.00 H new ATOM 0 HG SER A 40 10.382 -0.566 -6.818 1.00 0.00 H new ATOM 273 N ASN A 41 13.263 2.689 -5.570 1.00 0.00 N ATOM 274 CA ASN A 41 13.926 3.832 -6.173 1.00 0.00 C ATOM 275 C ASN A 41 14.311 4.840 -5.095 1.00 0.00 C ATOM 276 O ASN A 41 15.458 5.283 -5.024 1.00 0.00 O ATOM 277 CB ASN A 41 13.020 4.506 -7.203 1.00 0.00 C ATOM 278 CG ASN A 41 13.754 5.566 -8.001 1.00 0.00 C ATOM 279 OD1 ASN A 41 14.941 5.424 -8.296 1.00 0.00 O ATOM 280 ND2 ASN A 41 13.065 6.645 -8.338 1.00 0.00 N ATOM 0 H ASN A 41 12.478 2.935 -4.967 1.00 0.00 H new ATOM 0 HA ASN A 41 14.824 3.477 -6.678 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.621 3.753 -7.882 1.00 0.00 H new ATOM 0 HB3 ASN A 41 12.169 4.960 -6.695 1.00 0.00 H new ATOM 0 HD21 ASN A 41 13.516 7.396 -8.861 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.083 6.726 -8.075 1.00 0.00 H new ATOM 287 N SER A 42 13.355 5.185 -4.238 1.00 0.00 N ATOM 288 CA SER A 42 13.593 6.173 -3.200 1.00 0.00 C ATOM 289 C SER A 42 12.844 5.805 -1.922 1.00 0.00 C ATOM 290 O SER A 42 12.058 4.861 -1.910 1.00 0.00 O ATOM 291 CB SER A 42 13.172 7.562 -3.688 1.00 0.00 C ATOM 292 OG SER A 42 13.644 8.571 -2.812 1.00 0.00 O ATOM 0 H SER A 42 12.413 4.795 -4.244 1.00 0.00 H new ATOM 0 HA SER A 42 14.659 6.189 -2.975 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.563 7.733 -4.691 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.085 7.614 -3.757 1.00 0.00 H new ATOM 0 HG SER A 42 13.365 9.450 -3.144 1.00 0.00 H new ATOM 298 N LYS A 43 13.068 6.558 -0.852 1.00 0.00 N ATOM 299 CA LYS A 43 12.486 6.225 0.445 1.00 0.00 C ATOM 300 C LYS A 43 10.989 6.549 0.476 1.00 0.00 C ATOM 301 O LYS A 43 10.214 5.875 1.156 1.00 0.00 O ATOM 302 CB LYS A 43 13.225 6.945 1.593 1.00 0.00 C ATOM 303 CG LYS A 43 12.792 8.388 1.846 1.00 0.00 C ATOM 304 CD LYS A 43 13.136 9.318 0.692 1.00 0.00 C ATOM 305 CE LYS A 43 14.635 9.490 0.522 1.00 0.00 C ATOM 306 NZ LYS A 43 14.950 10.379 -0.622 1.00 0.00 N ATOM 0 H LYS A 43 13.645 7.399 -0.855 1.00 0.00 H new ATOM 0 HA LYS A 43 12.604 5.151 0.592 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.081 6.374 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.293 6.936 1.377 1.00 0.00 H new ATOM 0 HG2 LYS A 43 11.716 8.415 2.020 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.271 8.752 2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.710 8.923 -0.230 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.677 10.292 0.863 1.00 0.00 H new ATOM 0 HE2 LYS A 43 15.061 9.905 1.435 1.00 0.00 H new ATOM 0 HE3 LYS A 43 15.099 8.516 0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 15.973 10.356 -0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.437 10.053 -1.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.661 11.352 -0.395 1.00 0.00 H new ATOM 319 N CYS A 44 10.588 7.569 -0.276 1.00 0.00 N ATOM 320 CA CYS A 44 9.189 7.974 -0.330 1.00 0.00 C ATOM 321 C CYS A 44 8.577 7.596 -1.672 1.00 0.00 C ATOM 322 O CYS A 44 7.572 8.168 -2.091 1.00 0.00 O ATOM 323 CB CYS A 44 9.048 9.481 -0.097 1.00 0.00 C ATOM 324 SG CYS A 44 9.699 10.057 1.508 1.00 0.00 S ATOM 0 H CYS A 44 11.212 8.130 -0.856 1.00 0.00 H new ATOM 0 HA CYS A 44 8.655 7.450 0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.566 10.010 -0.897 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.994 9.750 -0.166 1.00 0.00 H new ATOM 329 N GLN A 45 9.183 6.625 -2.340 1.00 0.00 N ATOM 330 CA GLN A 45 8.692 6.172 -3.632 1.00 0.00 C ATOM 331 C GLN A 45 9.024 4.705 -3.835 1.00 0.00 C ATOM 332 O GLN A 45 10.108 4.365 -4.312 1.00 0.00 O ATOM 333 CB GLN A 45 9.304 6.999 -4.764 1.00 0.00 C ATOM 334 CG GLN A 45 8.823 6.588 -6.150 1.00 0.00 C ATOM 335 CD GLN A 45 9.541 7.325 -7.262 1.00 0.00 C ATOM 336 OE1 GLN A 45 10.714 7.670 -7.141 1.00 0.00 O ATOM 337 NE2 GLN A 45 8.837 7.576 -8.351 1.00 0.00 N ATOM 0 H GLN A 45 10.015 6.136 -2.008 1.00 0.00 H new ATOM 0 HA GLN A 45 7.610 6.302 -3.648 1.00 0.00 H new ATOM 0 HB2 GLN A 45 9.067 8.051 -4.603 1.00 0.00 H new ATOM 0 HB3 GLN A 45 10.389 6.907 -4.724 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.969 5.515 -6.277 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.752 6.775 -6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 45 7.865 7.272 -8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.265 8.074 -9.132 1.00 0.00 H new ATOM 346 N GLY A 46 8.085 3.848 -3.484 1.00 0.00 N ATOM 347 CA GLY A 46 8.312 2.425 -3.590 1.00 0.00 C ATOM 348 C GLY A 46 7.049 1.627 -3.366 1.00 0.00 C ATOM 349 O GLY A 46 5.942 2.167 -3.457 1.00 0.00 O ATOM 0 H GLY A 46 7.167 4.111 -3.126 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.714 2.196 -4.577 1.00 0.00 H new ATOM 0 HA3 GLY A 46 9.064 2.124 -2.861 1.00 0.00 H new ATOM 353 N GLN A 47 7.210 0.350 -3.060 1.00 0.00 N ATOM 354 CA GLN A 47 6.078 -0.546 -2.896 1.00 0.00 C ATOM 355 C GLN A 47 5.621 -0.557 -1.442 1.00 0.00 C ATOM 356 O GLN A 47 6.435 -0.683 -0.523 1.00 0.00 O ATOM 357 CB GLN A 47 6.454 -1.945 -3.386 1.00 0.00 C ATOM 358 CG GLN A 47 6.939 -1.936 -4.829 1.00 0.00 C ATOM 359 CD GLN A 47 7.437 -3.284 -5.306 1.00 0.00 C ATOM 360 OE1 GLN A 47 6.966 -4.333 -4.872 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.400 -3.265 -6.214 1.00 0.00 N ATOM 0 H GLN A 47 8.119 -0.091 -2.920 1.00 0.00 H new ATOM 0 HA GLN A 47 5.240 -0.193 -3.498 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.234 -2.356 -2.745 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.590 -2.604 -3.299 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.125 -1.608 -5.476 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.741 -1.204 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.766 -2.374 -6.551 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.776 -4.141 -6.577 1.00 0.00 H new ATOM 370 N LEU A 48 4.318 -0.417 -1.246 1.00 0.00 N ATOM 371 CA LEU A 48 3.755 -0.180 0.078 1.00 0.00 C ATOM 372 C LEU A 48 3.762 -1.436 0.943 1.00 0.00 C ATOM 373 O LEU A 48 3.287 -2.496 0.530 1.00 0.00 O ATOM 374 CB LEU A 48 2.324 0.359 -0.051 1.00 0.00 C ATOM 375 CG LEU A 48 1.635 0.738 1.265 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.336 1.909 1.935 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.171 1.070 1.022 1.00 0.00 C ATOM 0 H LEU A 48 3.625 -0.464 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 48 4.386 0.559 0.573 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.343 1.238 -0.696 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.716 -0.393 -0.555 1.00 0.00 H new ATOM 0 HG LEU A 48 1.695 -0.121 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.825 2.155 2.866 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.370 1.640 2.149 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.316 2.773 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.303 1.337 1.966 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.098 1.909 0.330 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.333 0.203 0.595 1.00 0.00 H new ATOM 389 N GLU A 49 4.315 -1.293 2.140 1.00 0.00 N ATOM 390 CA GLU A 49 4.245 -2.323 3.165 1.00 0.00 C ATOM 391 C GLU A 49 3.531 -1.776 4.390 1.00 0.00 C ATOM 392 O GLU A 49 3.794 -0.654 4.825 1.00 0.00 O ATOM 393 CB GLU A 49 5.636 -2.819 3.573 1.00 0.00 C ATOM 394 CG GLU A 49 6.218 -3.888 2.665 1.00 0.00 C ATOM 395 CD GLU A 49 7.507 -4.464 3.218 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.408 -3.678 3.573 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.617 -5.703 3.327 1.00 0.00 O ATOM 0 H GLU A 49 4.825 -0.458 2.427 1.00 0.00 H new ATOM 0 HA GLU A 49 3.694 -3.166 2.748 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.318 -1.969 3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.584 -3.212 4.588 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.490 -4.689 2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.405 -3.463 1.679 1.00 0.00 H new ATOM 404 N VAL A 50 2.623 -2.563 4.931 1.00 0.00 N ATOM 405 CA VAL A 50 1.904 -2.184 6.133 1.00 0.00 C ATOM 406 C VAL A 50 2.188 -3.180 7.250 1.00 0.00 C ATOM 407 O VAL A 50 2.485 -4.351 6.993 1.00 0.00 O ATOM 408 CB VAL A 50 0.379 -2.094 5.897 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.054 -1.019 4.871 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.188 -3.438 5.461 1.00 0.00 C ATOM 0 H VAL A 50 2.364 -3.475 4.555 1.00 0.00 H new ATOM 0 HA VAL A 50 2.256 -1.193 6.420 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.089 -1.820 6.842 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.025 -0.974 4.721 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.411 -0.054 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.542 -1.258 3.926 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.262 -3.345 5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.290 -3.751 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.001 -4.181 6.235 1.00 0.00 H new ATOM 420 N TYR A 51 2.116 -2.714 8.485 1.00 0.00 N ATOM 421 CA TYR A 51 2.405 -3.558 9.630 1.00 0.00 C ATOM 422 C TYR A 51 1.131 -4.215 10.151 1.00 0.00 C ATOM 423 O TYR A 51 0.286 -3.563 10.764 1.00 0.00 O ATOM 424 CB TYR A 51 3.078 -2.747 10.740 1.00 0.00 C ATOM 425 CG TYR A 51 3.498 -3.585 11.928 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.665 -4.342 11.895 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.721 -3.627 13.081 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.041 -5.117 12.975 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.094 -4.397 14.162 1.00 0.00 C ATOM 430 CZ TYR A 51 4.253 -5.139 14.105 1.00 0.00 C ATOM 431 OH TYR A 51 4.622 -5.912 15.182 1.00 0.00 O ATOM 0 H TYR A 51 1.860 -1.755 8.720 1.00 0.00 H new ATOM 0 HA TYR A 51 3.091 -4.342 9.310 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.955 -2.244 10.332 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.393 -1.969 11.078 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.286 -4.323 11.012 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.811 -3.047 13.130 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.948 -5.702 12.934 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.480 -4.418 15.050 1.00 0.00 H new ATOM 0 HH TYR A 51 3.959 -5.814 15.897 1.00 0.00 H new ATOM 441 N LEU A 52 1.002 -5.506 9.887 1.00 0.00 N ATOM 442 CA LEU A 52 -0.135 -6.281 10.368 1.00 0.00 C ATOM 443 C LEU A 52 0.240 -6.995 11.665 1.00 0.00 C ATOM 444 O LEU A 52 1.328 -6.778 12.202 1.00 0.00 O ATOM 445 CB LEU A 52 -0.569 -7.310 9.316 1.00 0.00 C ATOM 446 CG LEU A 52 -0.962 -6.741 7.953 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.235 -7.872 6.975 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.183 -5.837 8.073 1.00 0.00 C ATOM 0 H LEU A 52 1.674 -6.043 9.339 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.967 -5.602 10.554 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.246 -8.020 9.171 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.415 -7.872 9.712 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.133 -6.141 7.578 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.514 -7.456 6.007 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.338 -8.481 6.863 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.049 -8.491 7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.443 -5.444 7.090 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.022 -6.409 8.469 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.958 -5.010 8.746 1.00 0.00 H new ATOM 460 N LYS A 53 -0.648 -7.849 12.158 1.00 0.00 N ATOM 461 CA LYS A 53 -0.384 -8.624 13.367 1.00 0.00 C ATOM 462 C LYS A 53 0.870 -9.480 13.189 1.00 0.00 C ATOM 463 O LYS A 53 1.755 -9.490 14.048 1.00 0.00 O ATOM 464 CB LYS A 53 -1.602 -9.499 13.690 1.00 0.00 C ATOM 465 CG LYS A 53 -1.454 -10.349 14.940 1.00 0.00 C ATOM 466 CD LYS A 53 -2.725 -11.138 15.215 1.00 0.00 C ATOM 467 CE LYS A 53 -3.899 -10.214 15.504 1.00 0.00 C ATOM 468 NZ LYS A 53 -5.191 -10.947 15.547 1.00 0.00 N ATOM 0 H LYS A 53 -1.561 -8.024 11.738 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.209 -7.943 14.200 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.475 -8.856 13.804 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.798 -10.155 12.841 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.615 -11.034 14.821 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.226 -9.711 15.794 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.958 -11.767 14.356 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.566 -11.803 16.064 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.737 -9.710 16.457 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.947 -9.440 14.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.963 -10.279 15.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.360 -11.407 14.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.156 -11.669 16.295 1.00 0.00 H new ATOM 481 N ASP A 54 0.945 -10.171 12.056 1.00 0.00 N ATOM 482 CA ASP A 54 2.100 -11.008 11.726 1.00 0.00 C ATOM 483 C ASP A 54 3.349 -10.157 11.526 1.00 0.00 C ATOM 484 O ASP A 54 4.464 -10.577 11.843 1.00 0.00 O ATOM 485 CB ASP A 54 1.837 -11.818 10.451 1.00 0.00 C ATOM 486 CG ASP A 54 0.606 -12.690 10.550 1.00 0.00 C ATOM 487 OD1 ASP A 54 -0.513 -12.152 10.441 1.00 0.00 O ATOM 488 OD2 ASP A 54 0.752 -13.918 10.730 1.00 0.00 O ATOM 0 H ASP A 54 0.215 -10.169 11.344 1.00 0.00 H new ATOM 0 HA ASP A 54 2.260 -11.690 12.561 1.00 0.00 H new ATOM 0 HB2 ASP A 54 1.725 -11.135 9.609 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.704 -12.445 10.240 1.00 0.00 H new ATOM 493 N GLY A 55 3.156 -8.955 11.002 1.00 0.00 N ATOM 494 CA GLY A 55 4.276 -8.083 10.722 1.00 0.00 C ATOM 495 C GLY A 55 4.119 -7.344 9.409 1.00 0.00 C ATOM 496 O GLY A 55 3.008 -7.239 8.879 1.00 0.00 O ATOM 0 H GLY A 55 2.242 -8.569 10.766 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.382 -7.361 11.532 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.193 -8.671 10.697 1.00 0.00 H new ATOM 500 N TRP A 56 5.232 -6.847 8.882 1.00 0.00 N ATOM 501 CA TRP A 56 5.228 -6.071 7.645 1.00 0.00 C ATOM 502 C TRP A 56 4.803 -6.924 6.455 1.00 0.00 C ATOM 503 O TRP A 56 5.340 -8.008 6.228 1.00 0.00 O ATOM 504 CB TRP A 56 6.612 -5.467 7.383 1.00 0.00 C ATOM 505 CG TRP A 56 7.017 -4.439 8.398 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.887 -4.604 9.438 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.560 -3.085 8.472 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.996 -3.437 10.151 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.192 -2.489 9.579 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.676 -2.319 7.711 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.970 -1.161 9.937 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.457 -1.006 8.067 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.099 -0.438 9.172 1.00 0.00 C ATOM 0 H TRP A 56 6.157 -6.968 9.295 1.00 0.00 H new ATOM 0 HA TRP A 56 4.503 -5.266 7.766 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.353 -6.267 7.372 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.620 -5.011 6.393 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.412 -5.520 9.666 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.582 -3.298 10.974 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.172 -2.748 6.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.468 -0.719 10.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.777 -0.404 7.482 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.902 0.593 9.426 1.00 0.00 H new ATOM 524 N HIS A 57 3.824 -6.432 5.713 1.00 0.00 N ATOM 525 CA HIS A 57 3.327 -7.120 4.527 1.00 0.00 C ATOM 526 C HIS A 57 3.092 -6.127 3.403 1.00 0.00 C ATOM 527 O HIS A 57 2.701 -4.985 3.647 1.00 0.00 O ATOM 528 CB HIS A 57 2.028 -7.864 4.840 1.00 0.00 C ATOM 529 CG HIS A 57 2.238 -9.158 5.564 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.409 -9.243 6.931 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.309 -10.427 5.100 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.575 -10.507 7.274 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.518 -11.245 6.183 1.00 0.00 N ATOM 0 H HIS A 57 3.352 -5.550 5.912 1.00 0.00 H new ATOM 0 HA HIS A 57 4.078 -7.844 4.213 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.386 -7.220 5.442 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.498 -8.061 3.908 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.407 -8.453 7.576 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.218 -10.739 4.070 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.731 -10.874 8.278 1.00 0.00 H new ATOM 541 N MET A 58 3.317 -6.574 2.178 1.00 0.00 N ATOM 542 CA MET A 58 3.190 -5.720 1.003 1.00 0.00 C ATOM 543 C MET A 58 1.729 -5.589 0.601 1.00 0.00 C ATOM 544 O MET A 58 0.932 -6.482 0.864 1.00 0.00 O ATOM 545 CB MET A 58 3.983 -6.304 -0.168 1.00 0.00 C ATOM 546 CG MET A 58 5.470 -6.465 0.102 1.00 0.00 C ATOM 547 SD MET A 58 6.331 -7.221 -1.291 1.00 0.00 S ATOM 548 CE MET A 58 5.906 -6.069 -2.590 1.00 0.00 C ATOM 0 H MET A 58 3.592 -7.534 1.968 1.00 0.00 H new ATOM 0 HA MET A 58 3.587 -4.736 1.253 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.565 -7.277 -0.425 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.851 -5.660 -1.038 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.908 -5.489 0.313 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.613 -7.078 0.992 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.524 -6.264 -3.466 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.855 -6.189 -2.853 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.079 -5.050 -2.244 1.00 0.00 H new ATOM 558 N VAL A 59 1.380 -4.486 -0.040 1.00 0.00 N ATOM 559 CA VAL A 59 0.017 -4.284 -0.515 1.00 0.00 C ATOM 560 C VAL A 59 -0.067 -4.543 -2.017 1.00 0.00 C ATOM 561 O VAL A 59 0.750 -4.041 -2.791 1.00 0.00 O ATOM 562 CB VAL A 59 -0.495 -2.856 -0.204 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.911 -2.656 -0.733 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.448 -2.588 1.295 1.00 0.00 C ATOM 0 H VAL A 59 2.018 -3.717 -0.244 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.619 -4.994 0.014 1.00 0.00 H new ATOM 0 HB VAL A 59 0.160 -2.145 -0.708 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.247 -1.645 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.920 -2.803 -1.813 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.580 -3.377 -0.263 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.811 -1.580 1.496 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.078 -3.311 1.814 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.579 -2.681 1.649 1.00 0.00 H new ATOM 574 N CYS A 60 -1.041 -5.349 -2.417 1.00 0.00 N ATOM 575 CA CYS A 60 -1.260 -5.649 -3.825 1.00 0.00 C ATOM 576 C CYS A 60 -2.359 -4.736 -4.360 1.00 0.00 C ATOM 577 O CYS A 60 -3.350 -4.490 -3.672 1.00 0.00 O ATOM 578 CB CYS A 60 -1.655 -7.124 -3.989 1.00 0.00 C ATOM 579 SG CYS A 60 -1.528 -7.760 -5.694 1.00 0.00 S ATOM 0 H CYS A 60 -1.695 -5.809 -1.783 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.344 -5.476 -4.389 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.022 -7.730 -3.341 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.681 -7.252 -3.643 1.00 0.00 H new ATOM 584 N SER A 61 -2.186 -4.230 -5.579 1.00 0.00 N ATOM 585 CA SER A 61 -3.122 -3.260 -6.145 1.00 0.00 C ATOM 586 C SER A 61 -4.473 -3.898 -6.487 1.00 0.00 C ATOM 587 O SER A 61 -5.405 -3.208 -6.892 1.00 0.00 O ATOM 588 CB SER A 61 -2.519 -2.620 -7.391 1.00 0.00 C ATOM 589 OG SER A 61 -1.183 -2.218 -7.152 1.00 0.00 O ATOM 0 H SER A 61 -1.409 -4.474 -6.193 1.00 0.00 H new ATOM 0 HA SER A 61 -3.301 -2.496 -5.389 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.548 -3.328 -8.219 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.116 -1.757 -7.688 1.00 0.00 H new ATOM 0 HG SER A 61 -0.573 -2.787 -7.667 1.00 0.00 H new ATOM 595 N GLN A 62 -4.577 -5.213 -6.309 1.00 0.00 N ATOM 596 CA GLN A 62 -5.838 -5.922 -6.520 1.00 0.00 C ATOM 597 C GLN A 62 -6.750 -5.749 -5.305 1.00 0.00 C ATOM 598 O GLN A 62 -7.800 -6.384 -5.202 1.00 0.00 O ATOM 599 CB GLN A 62 -5.583 -7.415 -6.758 1.00 0.00 C ATOM 600 CG GLN A 62 -4.594 -7.705 -7.876 1.00 0.00 C ATOM 601 CD GLN A 62 -4.338 -9.189 -8.051 1.00 0.00 C ATOM 602 OE1 GLN A 62 -5.032 -9.866 -8.808 1.00 0.00 O ATOM 603 NE2 GLN A 62 -3.344 -9.708 -7.347 1.00 0.00 N ATOM 0 H GLN A 62 -3.803 -5.810 -6.019 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.324 -5.500 -7.400 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.213 -7.861 -5.835 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.530 -7.902 -6.990 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.975 -7.292 -8.810 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.652 -7.199 -7.664 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.791 -9.113 -6.730 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -3.131 -10.703 -7.422 1.00 0.00 H new ATOM 612 N SER A 63 -6.341 -4.877 -4.396 1.00 0.00 N ATOM 613 CA SER A 63 -7.031 -4.686 -3.137 1.00 0.00 C ATOM 614 C SER A 63 -8.205 -3.719 -3.297 1.00 0.00 C ATOM 615 O SER A 63 -8.209 -2.878 -4.191 1.00 0.00 O ATOM 616 CB SER A 63 -6.041 -4.151 -2.096 1.00 0.00 C ATOM 617 OG SER A 63 -6.597 -4.165 -0.796 1.00 0.00 O ATOM 0 H SER A 63 -5.520 -4.283 -4.514 1.00 0.00 H new ATOM 0 HA SER A 63 -7.431 -5.644 -2.805 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.134 -4.755 -2.111 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.751 -3.133 -2.358 1.00 0.00 H new ATOM 0 HG SER A 63 -6.957 -3.278 -0.585 1.00 0.00 H new ATOM 623 N TRP A 64 -9.203 -3.875 -2.429 1.00 0.00 N ATOM 624 CA TRP A 64 -10.355 -2.970 -2.357 1.00 0.00 C ATOM 625 C TRP A 64 -11.069 -2.823 -3.701 1.00 0.00 C ATOM 626 O TRP A 64 -11.604 -1.757 -4.012 1.00 0.00 O ATOM 627 CB TRP A 64 -9.929 -1.591 -1.836 1.00 0.00 C ATOM 628 CG TRP A 64 -9.273 -1.640 -0.488 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.844 -2.023 0.692 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.922 -1.283 -0.181 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.928 -1.930 1.712 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.742 -1.476 1.202 1.00 0.00 C ATOM 633 CE3 TRP A 64 -6.846 -0.818 -0.943 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.529 -1.222 1.834 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.644 -0.568 -0.312 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.496 -0.768 1.063 1.00 0.00 C ATOM 0 H TRP A 64 -9.238 -4.636 -1.751 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.062 -3.418 -1.659 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.242 -1.138 -2.550 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -10.805 -0.945 -1.782 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.867 -2.351 0.807 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.103 -2.162 2.690 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -6.953 -0.657 -2.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.408 -1.378 2.896 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -4.804 -0.212 -0.890 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.543 -0.559 1.527 1.00 0.00 H new ATOM 647 N GLY A 65 -11.078 -3.895 -4.484 1.00 0.00 N ATOM 648 CA GLY A 65 -11.774 -3.884 -5.758 1.00 0.00 C ATOM 649 C GLY A 65 -11.096 -3.015 -6.799 1.00 0.00 C ATOM 650 O GLY A 65 -11.761 -2.446 -7.667 1.00 0.00 O ATOM 0 H GLY A 65 -10.614 -4.775 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.845 -4.904 -6.135 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.793 -3.529 -5.605 1.00 0.00 H new ATOM 654 N ARG A 66 -9.778 -2.900 -6.717 1.00 0.00 N ATOM 655 CA ARG A 66 -9.020 -2.122 -7.684 1.00 0.00 C ATOM 656 C ARG A 66 -8.210 -3.065 -8.571 1.00 0.00 C ATOM 657 O ARG A 66 -8.166 -4.273 -8.324 1.00 0.00 O ATOM 658 CB ARG A 66 -8.097 -1.127 -6.968 1.00 0.00 C ATOM 659 CG ARG A 66 -8.792 -0.309 -5.882 1.00 0.00 C ATOM 660 CD ARG A 66 -9.902 0.574 -6.442 1.00 0.00 C ATOM 661 NE ARG A 66 -10.693 1.194 -5.377 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.273 2.388 -5.478 1.00 0.00 C ATOM 663 NH1 ARG A 66 -11.135 3.100 -6.588 1.00 0.00 N ATOM 664 NH2 ARG A 66 -11.994 2.862 -4.474 1.00 0.00 N ATOM 0 H ARG A 66 -9.212 -3.336 -5.990 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.710 -1.552 -8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.266 -1.674 -6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.671 -0.446 -7.705 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.210 -0.983 -5.134 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.057 0.315 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.466 1.351 -7.070 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.555 -0.023 -7.079 1.00 0.00 H new ATOM 0 HE ARG A 66 -10.807 0.679 -4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.585 2.733 -7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.579 4.015 -6.666 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.105 2.312 -3.622 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.438 3.777 -4.552 1.00 0.00 H new ATOM 677 N SER A 67 -7.585 -2.517 -9.602 1.00 0.00 N ATOM 678 CA SER A 67 -6.850 -3.321 -10.565 1.00 0.00 C ATOM 679 C SER A 67 -5.539 -2.638 -10.967 1.00 0.00 C ATOM 680 O SER A 67 -4.899 -1.982 -10.144 1.00 0.00 O ATOM 681 CB SER A 67 -7.729 -3.561 -11.791 1.00 0.00 C ATOM 682 OG SER A 67 -8.217 -2.336 -12.305 1.00 0.00 O ATOM 0 H SER A 67 -7.573 -1.515 -9.793 1.00 0.00 H new ATOM 0 HA SER A 67 -6.594 -4.277 -10.108 1.00 0.00 H new ATOM 0 HB2 SER A 67 -7.156 -4.081 -12.559 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.565 -4.208 -11.524 1.00 0.00 H new ATOM 0 HG SER A 67 -8.776 -2.510 -13.091 1.00 0.00 H new ATOM 688 N SER A 68 -5.143 -2.785 -12.230 1.00 0.00 N ATOM 689 CA SER A 68 -3.906 -2.188 -12.719 1.00 0.00 C ATOM 690 C SER A 68 -4.059 -0.685 -12.950 1.00 0.00 C ATOM 691 O SER A 68 -3.082 0.010 -13.238 1.00 0.00 O ATOM 692 CB SER A 68 -3.475 -2.867 -14.017 1.00 0.00 C ATOM 693 OG SER A 68 -3.321 -4.265 -13.833 1.00 0.00 O ATOM 0 H SER A 68 -5.662 -3.313 -12.932 1.00 0.00 H new ATOM 0 HA SER A 68 -3.142 -2.336 -11.956 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.216 -2.678 -14.794 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.535 -2.436 -14.362 1.00 0.00 H new ATOM 0 HG SER A 68 -3.357 -4.475 -12.876 1.00 0.00 H new ATOM 699 N LYS A 69 -5.277 -0.184 -12.818 1.00 0.00 N ATOM 700 CA LYS A 69 -5.539 1.232 -13.031 1.00 0.00 C ATOM 701 C LYS A 69 -5.540 2.001 -11.715 1.00 0.00 C ATOM 702 O LYS A 69 -6.143 1.575 -10.727 1.00 0.00 O ATOM 703 CB LYS A 69 -6.865 1.436 -13.768 1.00 0.00 C ATOM 704 CG LYS A 69 -6.809 1.048 -15.237 1.00 0.00 C ATOM 705 CD LYS A 69 -5.737 1.838 -15.969 1.00 0.00 C ATOM 706 CE LYS A 69 -5.727 1.531 -17.456 1.00 0.00 C ATOM 707 NZ LYS A 69 -4.662 2.279 -18.173 1.00 0.00 N ATOM 0 H LYS A 69 -6.098 -0.734 -12.565 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.733 1.625 -13.651 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.640 0.849 -13.275 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -7.159 2.483 -13.688 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.605 -0.019 -15.327 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.779 1.227 -15.701 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -5.905 2.904 -15.819 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.761 1.607 -15.543 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.581 0.461 -17.604 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.697 1.782 -17.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -4.691 2.040 -19.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.815 3.301 -18.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -3.733 2.021 -17.783 1.00 0.00 H new ATOM 720 N GLN A 70 -4.857 3.139 -11.724 1.00 0.00 N ATOM 721 CA GLN A 70 -4.739 3.998 -10.554 1.00 0.00 C ATOM 722 C GLN A 70 -6.055 4.726 -10.295 1.00 0.00 C ATOM 723 O GLN A 70 -6.778 5.067 -11.236 1.00 0.00 O ATOM 724 CB GLN A 70 -3.620 5.019 -10.788 1.00 0.00 C ATOM 725 CG GLN A 70 -3.293 5.874 -9.578 1.00 0.00 C ATOM 726 CD GLN A 70 -2.365 7.024 -9.917 1.00 0.00 C ATOM 727 OE1 GLN A 70 -2.811 8.127 -10.230 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.067 6.772 -9.873 1.00 0.00 N ATOM 0 H GLN A 70 -4.368 3.493 -12.546 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.503 3.386 -9.684 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.719 4.489 -11.098 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.906 5.671 -11.613 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.217 6.269 -9.155 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.831 5.252 -8.811 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.736 5.844 -9.609 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -0.397 7.506 -10.103 1.00 0.00 H new ATOM 737 N TRP A 71 -6.375 4.954 -9.030 1.00 0.00 N ATOM 738 CA TRP A 71 -7.570 5.703 -8.682 1.00 0.00 C ATOM 739 C TRP A 71 -7.266 7.197 -8.647 1.00 0.00 C ATOM 740 O TRP A 71 -6.112 7.611 -8.522 1.00 0.00 O ATOM 741 CB TRP A 71 -8.161 5.225 -7.351 1.00 0.00 C ATOM 742 CG TRP A 71 -7.166 5.089 -6.242 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.726 6.073 -5.406 1.00 0.00 C ATOM 744 CD2 TRP A 71 -6.504 3.888 -5.836 1.00 0.00 C ATOM 745 NE1 TRP A 71 -5.830 5.556 -4.504 1.00 0.00 N ATOM 746 CE2 TRP A 71 -5.677 4.216 -4.749 1.00 0.00 C ATOM 747 CE3 TRP A 71 -6.531 2.566 -6.287 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -4.887 3.271 -4.108 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -5.743 1.629 -5.648 1.00 0.00 C ATOM 750 CH2 TRP A 71 -4.933 1.986 -4.568 1.00 0.00 C ATOM 0 H TRP A 71 -5.826 4.633 -8.232 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.321 5.523 -9.451 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.938 5.924 -7.041 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.644 4.261 -7.508 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.037 7.106 -5.448 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.355 6.083 -3.771 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.157 2.282 -7.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -4.257 3.543 -3.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.753 0.604 -5.989 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.330 1.230 -4.086 1.00 0.00 H new ATOM 761 N GLU A 72 -8.324 7.989 -8.758 1.00 0.00 N ATOM 762 CA GLU A 72 -8.211 9.411 -9.064 1.00 0.00 C ATOM 763 C GLU A 72 -7.708 10.238 -7.881 1.00 0.00 C ATOM 764 O GLU A 72 -7.127 11.308 -8.079 1.00 0.00 O ATOM 765 CB GLU A 72 -9.570 9.946 -9.519 1.00 0.00 C ATOM 766 CG GLU A 72 -9.484 11.257 -10.278 1.00 0.00 C ATOM 767 CD GLU A 72 -10.842 11.879 -10.513 1.00 0.00 C ATOM 768 OE1 GLU A 72 -11.671 11.264 -11.221 1.00 0.00 O ATOM 769 OE2 GLU A 72 -11.090 12.981 -9.981 1.00 0.00 O ATOM 0 H GLU A 72 -9.284 7.666 -8.639 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.473 9.508 -9.860 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.051 9.200 -10.152 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -10.208 10.083 -8.646 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.859 11.955 -9.721 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.995 11.087 -11.237 1.00 0.00 H new ATOM 776 N ASP A 73 -7.928 9.763 -6.664 1.00 0.00 N ATOM 777 CA ASP A 73 -7.553 10.532 -5.481 1.00 0.00 C ATOM 778 C ASP A 73 -6.532 9.779 -4.633 1.00 0.00 C ATOM 779 O ASP A 73 -6.895 8.949 -3.799 1.00 0.00 O ATOM 780 CB ASP A 73 -8.789 10.853 -4.637 1.00 0.00 C ATOM 781 CG ASP A 73 -8.513 11.914 -3.591 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.005 11.578 -2.500 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.811 13.098 -3.848 1.00 0.00 O ATOM 0 H ASP A 73 -8.359 8.860 -6.468 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.099 11.463 -5.822 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.594 11.191 -5.290 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.137 9.944 -4.146 1.00 0.00 H new ATOM 788 N PRO A 74 -5.232 10.047 -4.843 1.00 0.00 N ATOM 789 CA PRO A 74 -4.156 9.427 -4.067 1.00 0.00 C ATOM 790 C PRO A 74 -4.010 10.042 -2.677 1.00 0.00 C ATOM 791 O PRO A 74 -3.353 9.479 -1.801 1.00 0.00 O ATOM 792 CB PRO A 74 -2.893 9.705 -4.898 1.00 0.00 C ATOM 793 CG PRO A 74 -3.371 10.314 -6.176 1.00 0.00 C ATOM 794 CD PRO A 74 -4.696 10.945 -5.869 1.00 0.00 C ATOM 0 HA PRO A 74 -4.348 8.367 -3.898 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.219 10.381 -4.371 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.339 8.785 -5.086 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.662 11.056 -6.543 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.471 9.557 -6.954 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.586 11.965 -5.501 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.339 10.990 -6.748 1.00 0.00 H new ATOM 802 N SER A 75 -4.648 11.190 -2.478 1.00 0.00 N ATOM 803 CA SER A 75 -4.531 11.938 -1.230 1.00 0.00 C ATOM 804 C SER A 75 -5.271 11.260 -0.074 1.00 0.00 C ATOM 805 O SER A 75 -5.302 11.771 1.046 1.00 0.00 O ATOM 806 CB SER A 75 -5.029 13.368 -1.440 1.00 0.00 C ATOM 807 OG SER A 75 -6.099 13.407 -2.373 1.00 0.00 O ATOM 0 H SER A 75 -5.256 11.626 -3.171 1.00 0.00 H new ATOM 0 HA SER A 75 -3.478 11.962 -0.949 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.358 13.785 -0.488 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.210 13.993 -1.796 1.00 0.00 H new ATOM 0 HG SER A 75 -6.793 12.770 -2.102 1.00 0.00 H new ATOM 813 N GLN A 76 -5.851 10.100 -0.336 1.00 0.00 N ATOM 814 CA GLN A 76 -6.445 9.298 0.720 1.00 0.00 C ATOM 815 C GLN A 76 -5.353 8.677 1.587 1.00 0.00 C ATOM 816 O GLN A 76 -5.614 8.193 2.685 1.00 0.00 O ATOM 817 CB GLN A 76 -7.332 8.202 0.123 1.00 0.00 C ATOM 818 CG GLN A 76 -8.550 8.730 -0.624 1.00 0.00 C ATOM 819 CD GLN A 76 -9.593 9.354 0.289 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.277 9.903 1.345 1.00 0.00 O ATOM 821 NE2 GLN A 76 -10.849 9.273 -0.114 1.00 0.00 N ATOM 0 H GLN A 76 -5.923 9.694 -1.269 1.00 0.00 H new ATOM 0 HA GLN A 76 -7.063 9.945 1.342 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.735 7.596 -0.559 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.667 7.543 0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.226 9.472 -1.354 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.008 7.913 -1.182 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.073 8.810 -0.995 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -11.594 9.673 0.456 1.00 0.00 H new ATOM 830 N ALA A 77 -4.120 8.714 1.091 1.00 0.00 N ATOM 831 CA ALA A 77 -2.998 8.104 1.790 1.00 0.00 C ATOM 832 C ALA A 77 -1.992 9.148 2.259 1.00 0.00 C ATOM 833 O ALA A 77 -0.831 8.828 2.519 1.00 0.00 O ATOM 834 CB ALA A 77 -2.308 7.089 0.895 1.00 0.00 C ATOM 0 H ALA A 77 -3.874 9.160 0.207 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.396 7.600 2.671 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.471 6.641 1.431 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.017 6.311 0.614 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.940 7.586 -0.002 1.00 0.00 H new ATOM 840 N SER A 78 -2.436 10.393 2.376 1.00 0.00 N ATOM 841 CA SER A 78 -1.564 11.471 2.821 1.00 0.00 C ATOM 842 C SER A 78 -1.028 11.200 4.226 1.00 0.00 C ATOM 843 O SER A 78 0.104 11.565 4.549 1.00 0.00 O ATOM 844 CB SER A 78 -2.309 12.802 2.783 1.00 0.00 C ATOM 845 OG SER A 78 -2.818 13.050 1.484 1.00 0.00 O ATOM 0 H SER A 78 -3.393 10.680 2.169 1.00 0.00 H new ATOM 0 HA SER A 78 -0.714 11.523 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.127 12.788 3.504 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.638 13.609 3.077 1.00 0.00 H new ATOM 0 HG SER A 78 -3.691 12.615 1.386 1.00 0.00 H new ATOM 851 N LYS A 79 -1.836 10.541 5.050 1.00 0.00 N ATOM 852 CA LYS A 79 -1.413 10.174 6.393 1.00 0.00 C ATOM 853 C LYS A 79 -0.249 9.188 6.348 1.00 0.00 C ATOM 854 O LYS A 79 0.624 9.215 7.213 1.00 0.00 O ATOM 855 CB LYS A 79 -2.582 9.583 7.187 1.00 0.00 C ATOM 856 CG LYS A 79 -3.684 10.586 7.482 1.00 0.00 C ATOM 857 CD LYS A 79 -3.126 11.822 8.172 1.00 0.00 C ATOM 858 CE LYS A 79 -4.224 12.797 8.567 1.00 0.00 C ATOM 859 NZ LYS A 79 -3.659 14.077 9.066 1.00 0.00 N ATOM 0 H LYS A 79 -2.784 10.252 4.811 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.075 11.079 6.897 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.003 8.746 6.630 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.206 9.182 8.128 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -4.176 10.875 6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.442 10.123 8.114 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.571 11.522 9.061 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.420 12.320 7.508 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.866 12.991 7.708 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -4.850 12.349 9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.434 14.720 9.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.066 13.893 9.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -3.081 14.516 8.321 1.00 0.00 H new ATOM 872 N VAL A 80 -0.225 8.340 5.325 1.00 0.00 N ATOM 873 CA VAL A 80 0.852 7.371 5.165 1.00 0.00 C ATOM 874 C VAL A 80 2.169 8.087 4.890 1.00 0.00 C ATOM 875 O VAL A 80 3.160 7.860 5.583 1.00 0.00 O ATOM 876 CB VAL A 80 0.557 6.364 4.026 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.761 5.465 3.772 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.670 5.523 4.355 1.00 0.00 C ATOM 0 H VAL A 80 -0.938 8.304 4.596 1.00 0.00 H new ATOM 0 HA VAL A 80 0.927 6.811 6.097 1.00 0.00 H new ATOM 0 HB VAL A 80 0.354 6.933 3.118 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.530 4.766 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.618 6.076 3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.998 4.909 4.679 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.860 4.822 3.542 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.495 4.970 5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.535 6.175 4.481 1.00 0.00 H new ATOM 888 N CYS A 81 2.165 8.978 3.901 1.00 0.00 N ATOM 889 CA CYS A 81 3.360 9.749 3.570 1.00 0.00 C ATOM 890 C CYS A 81 3.822 10.563 4.777 1.00 0.00 C ATOM 891 O CYS A 81 5.019 10.710 5.018 1.00 0.00 O ATOM 892 CB CYS A 81 3.095 10.678 2.379 1.00 0.00 C ATOM 893 SG CYS A 81 2.541 9.824 0.868 1.00 0.00 S ATOM 0 H CYS A 81 1.353 9.183 3.319 1.00 0.00 H new ATOM 0 HA CYS A 81 4.149 9.049 3.295 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.340 11.410 2.666 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.007 11.231 2.155 1.00 0.00 H new ATOM 898 N GLN A 82 2.862 11.072 5.545 1.00 0.00 N ATOM 899 CA GLN A 82 3.163 11.844 6.743 1.00 0.00 C ATOM 900 C GLN A 82 3.873 10.986 7.792 1.00 0.00 C ATOM 901 O GLN A 82 4.762 11.464 8.496 1.00 0.00 O ATOM 902 CB GLN A 82 1.876 12.437 7.319 1.00 0.00 C ATOM 903 CG GLN A 82 2.070 13.182 8.632 1.00 0.00 C ATOM 904 CD GLN A 82 0.787 13.807 9.141 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.080 14.225 8.231 1.00 0.00 O flip ATOM 906 NE2 GLN A 82 0.581 13.927 10.346 1.00 0.00 N flip ATOM 0 H GLN A 82 1.866 10.962 5.356 1.00 0.00 H new ATOM 0 HA GLN A 82 3.837 12.655 6.466 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.443 13.119 6.587 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.155 11.634 7.472 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.457 12.493 9.383 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.821 13.961 8.496 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.272 13.593 11.017 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.281 14.361 10.675 1.00 0.00 H new ATOM 915 N ARG A 83 3.488 9.715 7.886 1.00 0.00 N ATOM 916 CA ARG A 83 4.126 8.794 8.828 1.00 0.00 C ATOM 917 C ARG A 83 5.585 8.563 8.445 1.00 0.00 C ATOM 918 O ARG A 83 6.424 8.264 9.294 1.00 0.00 O ATOM 919 CB ARG A 83 3.385 7.449 8.880 1.00 0.00 C ATOM 920 CG ARG A 83 1.944 7.538 9.373 1.00 0.00 C ATOM 921 CD ARG A 83 1.861 7.978 10.828 1.00 0.00 C ATOM 922 NE ARG A 83 2.462 7.002 11.740 1.00 0.00 N ATOM 923 CZ ARG A 83 3.004 7.322 12.913 1.00 0.00 C ATOM 924 NH1 ARG A 83 3.061 8.593 13.302 1.00 0.00 N ATOM 925 NH2 ARG A 83 3.495 6.379 13.702 1.00 0.00 N ATOM 0 H ARG A 83 2.743 9.300 7.326 1.00 0.00 H new ATOM 0 HA ARG A 83 4.082 9.251 9.817 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.388 7.009 7.883 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.937 6.770 9.530 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.391 8.241 8.750 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.463 6.567 9.261 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.364 8.938 10.944 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.817 8.131 11.100 1.00 0.00 H new ATOM 0 HE ARG A 83 2.465 6.021 11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.688 9.328 12.700 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.477 8.833 14.202 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.459 5.402 13.412 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.909 6.630 14.600 1.00 0.00 H new ATOM 938 N LEU A 84 5.879 8.715 7.160 1.00 0.00 N ATOM 939 CA LEU A 84 7.241 8.553 6.658 1.00 0.00 C ATOM 940 C LEU A 84 7.956 9.902 6.570 1.00 0.00 C ATOM 941 O LEU A 84 9.092 9.983 6.100 1.00 0.00 O ATOM 942 CB LEU A 84 7.240 7.882 5.281 1.00 0.00 C ATOM 943 CG LEU A 84 7.038 6.360 5.272 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.653 5.978 5.762 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.270 5.814 3.876 1.00 0.00 C ATOM 0 H LEU A 84 5.192 8.951 6.444 1.00 0.00 H new ATOM 0 HA LEU A 84 7.776 7.915 7.362 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.453 8.336 4.679 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.187 8.105 4.790 1.00 0.00 H new ATOM 0 HG LEU A 84 7.764 5.921 5.956 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.546 4.893 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.516 6.337 6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 84 4.901 6.429 5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.125 4.734 3.879 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.564 6.273 3.184 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.288 6.042 3.561 1.00 0.00 H new ATOM 957 N ASN A 85 7.279 10.955 7.032 1.00 0.00 N ATOM 958 CA ASN A 85 7.817 12.317 6.989 1.00 0.00 C ATOM 959 C ASN A 85 8.075 12.774 5.555 1.00 0.00 C ATOM 960 O ASN A 85 8.999 13.547 5.295 1.00 0.00 O ATOM 961 CB ASN A 85 9.103 12.438 7.814 1.00 0.00 C ATOM 962 CG ASN A 85 8.835 12.684 9.285 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.689 11.744 10.068 1.00 0.00 O ATOM 964 ND2 ASN A 85 8.775 13.950 9.673 1.00 0.00 N ATOM 0 H ASN A 85 6.348 10.889 7.444 1.00 0.00 H new ATOM 0 HA ASN A 85 7.061 12.968 7.427 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.688 11.525 7.704 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.708 13.254 7.418 1.00 0.00 H new ATOM 0 HD21 ASN A 85 8.602 14.176 10.653 1.00 0.00 H new ATOM 0 HD22 ASN A 85 8.902 14.699 8.992 1.00 0.00 H new ATOM 971 N CYS A 86 7.254 12.302 4.631 1.00 0.00 N ATOM 972 CA CYS A 86 7.376 12.688 3.235 1.00 0.00 C ATOM 973 C CYS A 86 6.368 13.786 2.916 1.00 0.00 C ATOM 974 O CYS A 86 5.593 14.192 3.786 1.00 0.00 O ATOM 975 CB CYS A 86 7.134 11.481 2.323 1.00 0.00 C ATOM 976 SG CYS A 86 8.097 9.995 2.754 1.00 0.00 S ATOM 0 H CYS A 86 6.494 11.649 4.823 1.00 0.00 H new ATOM 0 HA CYS A 86 8.386 13.060 3.061 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.074 11.230 2.349 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.369 11.765 1.297 1.00 0.00 H new ATOM 981 N GLY A 87 6.378 14.267 1.679 1.00 0.00 N ATOM 982 CA GLY A 87 5.406 15.257 1.265 1.00 0.00 C ATOM 983 C GLY A 87 4.088 14.624 0.857 1.00 0.00 C ATOM 984 O GLY A 87 3.824 13.467 1.190 1.00 0.00 O ATOM 0 H GLY A 87 7.042 13.989 0.956 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.234 15.959 2.081 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.807 15.831 0.429 1.00 0.00 H new ATOM 988 N ASP A 88 3.271 15.375 0.132 1.00 0.00 N ATOM 989 CA ASP A 88 1.959 14.897 -0.304 1.00 0.00 C ATOM 990 C ASP A 88 2.100 13.727 -1.272 1.00 0.00 C ATOM 991 O ASP A 88 3.128 13.586 -1.943 1.00 0.00 O ATOM 992 CB ASP A 88 1.171 16.028 -0.976 1.00 0.00 C ATOM 993 CG ASP A 88 0.874 17.180 -0.039 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.702 18.113 0.044 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.188 17.162 0.611 1.00 0.00 O ATOM 0 H ASP A 88 3.492 16.324 -0.170 1.00 0.00 H new ATOM 0 HA ASP A 88 1.417 14.558 0.579 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.736 16.399 -1.831 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.233 15.630 -1.362 1.00 0.00 H new ATOM 1000 N PRO A 89 1.072 12.866 -1.352 1.00 0.00 N ATOM 1001 CA PRO A 89 1.070 11.727 -2.259 1.00 0.00 C ATOM 1002 C PRO A 89 0.841 12.158 -3.702 1.00 0.00 C ATOM 1003 O PRO A 89 -0.209 12.707 -4.044 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.093 10.848 -1.778 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.680 11.527 -0.584 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.168 12.941 -0.575 1.00 0.00 C ATOM 0 HA PRO A 89 2.028 11.207 -2.247 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.840 10.731 -2.563 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.258 9.849 -1.521 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.769 11.513 -0.631 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.394 11.009 0.332 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.883 13.629 -1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.016 13.294 0.440 1.00 0.00 H new ATOM 1014 N LEU A 90 1.832 11.909 -4.539 1.00 0.00 N ATOM 1015 CA LEU A 90 1.770 12.283 -5.941 1.00 0.00 C ATOM 1016 C LEU A 90 0.976 11.236 -6.712 1.00 0.00 C ATOM 1017 O LEU A 90 0.126 11.562 -7.539 1.00 0.00 O ATOM 1018 CB LEU A 90 3.190 12.390 -6.514 1.00 0.00 C ATOM 1019 CG LEU A 90 3.414 13.491 -7.559 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.867 13.510 -7.999 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.506 13.305 -8.763 1.00 0.00 C ATOM 0 H LEU A 90 2.699 11.444 -4.268 1.00 0.00 H new ATOM 0 HA LEU A 90 1.276 13.250 -6.036 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.882 12.555 -5.688 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.452 11.432 -6.963 1.00 0.00 H new ATOM 0 HG LEU A 90 3.168 14.446 -7.096 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.012 14.296 -8.740 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.506 13.702 -7.137 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.127 12.546 -8.436 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.690 14.101 -9.484 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.711 12.340 -9.228 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.465 13.339 -8.442 1.00 0.00 H new ATOM 1033 N SER A 91 1.252 9.976 -6.419 1.00 0.00 N ATOM 1034 CA SER A 91 0.618 8.873 -7.118 1.00 0.00 C ATOM 1035 C SER A 91 0.403 7.689 -6.183 1.00 0.00 C ATOM 1036 O SER A 91 1.186 7.468 -5.256 1.00 0.00 O ATOM 1037 CB SER A 91 1.473 8.462 -8.315 1.00 0.00 C ATOM 1038 OG SER A 91 2.833 8.327 -7.944 1.00 0.00 O ATOM 0 H SER A 91 1.915 9.692 -5.698 1.00 0.00 H new ATOM 0 HA SER A 91 -0.359 9.200 -7.474 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.108 7.519 -8.721 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.380 9.206 -9.106 1.00 0.00 H new ATOM 0 HG SER A 91 3.361 8.062 -8.726 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.658 6.936 -6.432 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.002 5.791 -5.604 1.00 0.00 C ATOM 1046 C LEU A 92 -1.649 4.722 -6.476 1.00 0.00 C ATOM 1047 O LEU A 92 -2.865 4.706 -6.655 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.975 6.219 -4.496 1.00 0.00 C ATOM 1049 CG LEU A 92 -1.818 5.518 -3.138 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.950 5.922 -2.206 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -1.775 4.006 -3.290 1.00 0.00 C ATOM 0 H LEU A 92 -1.300 7.100 -7.208 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.099 5.391 -5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.865 7.292 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.992 6.051 -4.851 1.00 0.00 H new ATOM 0 HG LEU A 92 -0.868 5.835 -2.707 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.828 5.419 -1.247 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.929 7.001 -2.055 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.905 5.635 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.663 3.545 -2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.701 3.660 -3.750 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -0.930 3.728 -3.920 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.834 3.845 -7.033 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.349 2.820 -7.920 1.00 0.00 C ATOM 1065 C GLY A 93 -0.368 1.682 -8.091 1.00 0.00 C ATOM 1066 O GLY A 93 0.614 1.612 -7.361 1.00 0.00 O ATOM 0 H GLY A 93 0.176 3.822 -6.889 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.288 2.434 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.570 3.259 -8.893 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.603 0.763 -9.039 1.00 0.00 N ATOM 1071 CA PRO A 94 0.307 -0.362 -9.287 1.00 0.00 C ATOM 1072 C PRO A 94 1.677 0.101 -9.774 1.00 0.00 C ATOM 1073 O PRO A 94 1.780 0.971 -10.641 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.401 -1.178 -10.377 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.815 -0.712 -10.354 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.765 0.730 -9.938 1.00 0.00 C ATOM 0 HA PRO A 94 0.501 -0.931 -8.378 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.054 -1.010 -11.353 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.335 -2.247 -10.175 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.278 -0.820 -11.335 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.409 -1.300 -9.655 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.636 1.394 -10.792 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.679 1.038 -9.431 1.00 0.00 H new ATOM 1084 N PHE A 95 2.722 -0.488 -9.214 1.00 0.00 N ATOM 1085 CA PHE A 95 4.086 -0.145 -9.569 1.00 0.00 C ATOM 1086 C PHE A 95 4.857 -1.408 -9.938 1.00 0.00 C ATOM 1087 O PHE A 95 5.407 -2.084 -9.063 1.00 0.00 O ATOM 1088 CB PHE A 95 4.774 0.572 -8.402 1.00 0.00 C ATOM 1089 CG PHE A 95 6.135 1.122 -8.740 1.00 0.00 C ATOM 1090 CD1 PHE A 95 6.259 2.289 -9.478 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.286 0.477 -8.315 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.506 2.799 -9.790 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.534 0.982 -8.625 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.645 2.145 -9.361 1.00 0.00 C ATOM 0 H PHE A 95 2.647 -1.215 -8.503 1.00 0.00 H new ATOM 0 HA PHE A 95 4.070 0.526 -10.428 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.137 1.389 -8.064 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.871 -0.123 -7.568 1.00 0.00 H new ATOM 0 HD1 PHE A 95 5.372 2.806 -9.813 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.206 -0.431 -7.735 1.00 0.00 H new ATOM 0 HE1 PHE A 95 7.589 3.707 -10.368 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.423 0.467 -8.292 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.620 2.543 -9.601 1.00 0.00 H new ATOM 1104 N LEU A 96 4.852 -1.735 -11.231 1.00 0.00 N ATOM 1105 CA LEU A 96 5.578 -2.898 -11.754 1.00 0.00 C ATOM 1106 C LEU A 96 5.034 -4.201 -11.162 1.00 0.00 C ATOM 1107 O LEU A 96 3.991 -4.214 -10.501 1.00 0.00 O ATOM 1108 CB LEU A 96 7.079 -2.775 -11.458 1.00 0.00 C ATOM 1109 CG LEU A 96 7.775 -1.568 -12.099 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.248 -1.539 -11.715 1.00 0.00 C ATOM 1111 CD2 LEU A 96 7.619 -1.596 -13.613 1.00 0.00 C ATOM 0 H LEU A 96 4.348 -1.206 -11.943 1.00 0.00 H new ATOM 0 HA LEU A 96 5.430 -2.923 -12.834 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.217 -2.722 -10.378 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.576 -3.684 -11.799 1.00 0.00 H new ATOM 0 HG LEU A 96 7.301 -0.661 -11.725 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.728 -0.677 -12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.340 -1.467 -10.631 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.732 -2.452 -12.061 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.120 -0.731 -14.046 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.065 -2.509 -14.008 1.00 0.00 H new ATOM 0 HD23 LEU A 96 6.560 -1.568 -13.870 1.00 0.00 H new ATOM 1123 N LYS A 97 5.728 -5.297 -11.428 1.00 0.00 N ATOM 1124 CA LYS A 97 5.352 -6.596 -10.891 1.00 0.00 C ATOM 1125 C LYS A 97 6.577 -7.304 -10.334 1.00 0.00 C ATOM 1126 O LYS A 97 7.377 -7.868 -11.082 1.00 0.00 O ATOM 1127 CB LYS A 97 4.691 -7.460 -11.970 1.00 0.00 C ATOM 1128 CG LYS A 97 3.387 -6.887 -12.504 1.00 0.00 C ATOM 1129 CD LYS A 97 2.802 -7.753 -13.607 1.00 0.00 C ATOM 1130 CE LYS A 97 3.717 -7.815 -14.820 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.124 -8.621 -15.919 1.00 0.00 N ATOM 0 H LYS A 97 6.561 -5.312 -12.017 1.00 0.00 H new ATOM 0 HA LYS A 97 4.633 -6.440 -10.087 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.388 -7.585 -12.799 1.00 0.00 H new ATOM 0 HB3 LYS A 97 4.500 -8.452 -11.561 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.668 -6.800 -11.690 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.561 -5.881 -12.885 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.633 -8.761 -13.227 1.00 0.00 H new ATOM 0 HD3 LYS A 97 1.831 -7.357 -13.904 1.00 0.00 H new ATOM 0 HE2 LYS A 97 3.916 -6.805 -15.177 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.676 -8.245 -14.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 3.778 -8.639 -16.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 2.957 -9.592 -15.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.221 -8.196 -16.213 1.00 0.00 H new ATOM 1144 N THR A 98 6.727 -7.257 -9.020 1.00 0.00 N ATOM 1145 CA THR A 98 7.866 -7.879 -8.352 1.00 0.00 C ATOM 1146 C THR A 98 7.670 -9.390 -8.212 1.00 0.00 C ATOM 1147 O THR A 98 8.613 -10.134 -7.933 1.00 0.00 O ATOM 1148 CB THR A 98 8.084 -7.255 -6.959 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.970 -5.832 -7.057 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.453 -7.609 -6.395 1.00 0.00 C ATOM 0 H THR A 98 6.073 -6.793 -8.390 1.00 0.00 H new ATOM 0 HA THR A 98 8.747 -7.699 -8.969 1.00 0.00 H new ATOM 0 HB THR A 98 7.325 -7.655 -6.286 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.477 -5.489 -6.282 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.571 -7.152 -5.413 1.00 0.00 H new ATOM 0 HG22 THR A 98 9.540 -8.692 -6.304 1.00 0.00 H new ATOM 0 HG23 THR A 98 10.229 -7.237 -7.064 1.00 0.00 H new ATOM 1158 N TYR A 99 6.428 -9.820 -8.438 1.00 0.00 N ATOM 1159 CA TYR A 99 6.038 -11.232 -8.347 1.00 0.00 C ATOM 1160 C TYR A 99 6.214 -11.772 -6.927 1.00 0.00 C ATOM 1161 O TYR A 99 6.945 -12.735 -6.709 1.00 0.00 O ATOM 1162 CB TYR A 99 6.845 -12.100 -9.323 1.00 0.00 C ATOM 1163 CG TYR A 99 6.729 -11.702 -10.781 1.00 0.00 C ATOM 1164 CD1 TYR A 99 5.559 -11.928 -11.497 1.00 0.00 C ATOM 1165 CD2 TYR A 99 7.799 -11.114 -11.444 1.00 0.00 C ATOM 1166 CE1 TYR A 99 5.460 -11.574 -12.831 1.00 0.00 C ATOM 1167 CE2 TYR A 99 7.707 -10.759 -12.775 1.00 0.00 C ATOM 1168 CZ TYR A 99 6.539 -10.992 -13.465 1.00 0.00 C ATOM 1169 OH TYR A 99 6.454 -10.646 -14.796 1.00 0.00 O ATOM 0 H TYR A 99 5.660 -9.198 -8.690 1.00 0.00 H new ATOM 0 HA TYR A 99 4.983 -11.283 -8.616 1.00 0.00 H new ATOM 0 HB2 TYR A 99 7.896 -12.064 -9.035 1.00 0.00 H new ATOM 0 HB3 TYR A 99 6.521 -13.135 -9.218 1.00 0.00 H new ATOM 0 HD1 TYR A 99 4.714 -12.387 -11.005 1.00 0.00 H new ATOM 0 HD2 TYR A 99 8.719 -10.931 -10.909 1.00 0.00 H new ATOM 0 HE1 TYR A 99 4.543 -11.752 -13.373 1.00 0.00 H new ATOM 0 HE2 TYR A 99 8.548 -10.300 -13.273 1.00 0.00 H new ATOM 0 HH TYR A 99 7.301 -10.247 -15.085 1.00 0.00 H new ATOM 1179 N THR A 100 5.541 -11.160 -5.964 1.00 0.00 N ATOM 1180 CA THR A 100 5.594 -11.628 -4.584 1.00 0.00 C ATOM 1181 C THR A 100 4.208 -12.070 -4.100 1.00 0.00 C ATOM 1182 O THR A 100 3.576 -11.391 -3.286 1.00 0.00 O ATOM 1183 CB THR A 100 6.155 -10.534 -3.651 1.00 0.00 C ATOM 1184 OG1 THR A 100 5.569 -9.263 -3.970 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.672 -10.441 -3.767 1.00 0.00 C ATOM 0 H THR A 100 4.953 -10.340 -6.111 1.00 0.00 H new ATOM 0 HA THR A 100 6.263 -12.488 -4.554 1.00 0.00 H new ATOM 0 HB THR A 100 5.901 -10.804 -2.626 1.00 0.00 H new ATOM 0 HG1 THR A 100 5.663 -8.658 -3.205 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.041 -9.663 -3.099 1.00 0.00 H new ATOM 0 HG22 THR A 100 8.117 -11.397 -3.491 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.944 -10.197 -4.794 1.00 0.00 H new ATOM 1193 N PRO A 101 3.728 -13.235 -4.574 1.00 0.00 N ATOM 1194 CA PRO A 101 2.379 -13.724 -4.294 1.00 0.00 C ATOM 1195 C PRO A 101 2.276 -14.404 -2.933 1.00 0.00 C ATOM 1196 O PRO A 101 1.789 -15.529 -2.820 1.00 0.00 O ATOM 1197 CB PRO A 101 2.119 -14.740 -5.419 1.00 0.00 C ATOM 1198 CG PRO A 101 3.372 -14.794 -6.241 1.00 0.00 C ATOM 1199 CD PRO A 101 4.462 -14.187 -5.406 1.00 0.00 C ATOM 0 HA PRO A 101 1.655 -12.910 -4.262 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.882 -15.721 -5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.268 -14.435 -6.028 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.616 -15.822 -6.508 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.247 -14.244 -7.174 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.979 -14.936 -4.806 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.216 -13.693 -6.019 1.00 0.00 H new ATOM 1207 N GLN A 102 2.741 -13.712 -1.909 1.00 0.00 N ATOM 1208 CA GLN A 102 2.705 -14.217 -0.545 1.00 0.00 C ATOM 1209 C GLN A 102 2.932 -13.055 0.404 1.00 0.00 C ATOM 1210 O GLN A 102 2.168 -12.846 1.346 1.00 0.00 O ATOM 1211 CB GLN A 102 3.778 -15.302 -0.354 1.00 0.00 C ATOM 1212 CG GLN A 102 3.614 -16.164 0.896 1.00 0.00 C ATOM 1213 CD GLN A 102 4.214 -15.547 2.149 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.401 -15.715 2.426 1.00 0.00 O ATOM 1215 NE2 GLN A 102 3.396 -14.864 2.932 1.00 0.00 N ATOM 0 H GLN A 102 3.155 -12.784 -1.997 1.00 0.00 H new ATOM 0 HA GLN A 102 1.736 -14.670 -0.336 1.00 0.00 H new ATOM 0 HB2 GLN A 102 3.774 -15.953 -1.228 1.00 0.00 H new ATOM 0 HB3 GLN A 102 4.756 -14.822 -0.319 1.00 0.00 H new ATOM 0 HG2 GLN A 102 2.552 -16.346 1.064 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.080 -17.134 0.721 1.00 0.00 H new ATOM 0 HE21 GLN A 102 2.418 -14.746 2.668 1.00 0.00 H new ATOM 0 HE22 GLN A 102 3.743 -14.455 3.799 1.00 0.00 H new ATOM 1224 N SER A 103 3.979 -12.295 0.124 1.00 0.00 N ATOM 1225 CA SER A 103 4.301 -11.110 0.895 1.00 0.00 C ATOM 1226 C SER A 103 3.215 -10.051 0.733 1.00 0.00 C ATOM 1227 O SER A 103 2.950 -9.271 1.649 1.00 0.00 O ATOM 1228 CB SER A 103 5.639 -10.554 0.424 1.00 0.00 C ATOM 1229 OG SER A 103 6.515 -11.608 0.065 1.00 0.00 O ATOM 0 H SER A 103 4.626 -12.483 -0.642 1.00 0.00 H new ATOM 0 HA SER A 103 4.363 -11.379 1.949 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.485 -9.894 -0.430 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.088 -9.953 1.214 1.00 0.00 H new ATOM 0 HG SER A 103 7.369 -11.235 -0.237 1.00 0.00 H new ATOM 1235 N SER A 104 2.590 -10.035 -0.437 1.00 0.00 N ATOM 1236 CA SER A 104 1.565 -9.057 -0.741 1.00 0.00 C ATOM 1237 C SER A 104 0.197 -9.532 -0.254 1.00 0.00 C ATOM 1238 O SER A 104 -0.128 -10.724 -0.319 1.00 0.00 O ATOM 1239 CB SER A 104 1.532 -8.787 -2.246 1.00 0.00 C ATOM 1240 OG SER A 104 1.359 -9.991 -2.972 1.00 0.00 O ATOM 0 H SER A 104 2.780 -10.694 -1.192 1.00 0.00 H new ATOM 0 HA SER A 104 1.805 -8.130 -0.220 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.720 -8.098 -2.478 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.459 -8.303 -2.553 1.00 0.00 H new ATOM 0 HG SER A 104 2.227 -10.429 -3.090 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.590 -8.597 0.249 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.927 -8.888 0.725 1.00 0.00 C ATOM 1248 C ILE A 105 -2.971 -8.172 -0.122 1.00 0.00 C ATOM 1249 O ILE A 105 -2.687 -7.155 -0.762 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.119 -8.487 2.207 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.780 -7.002 2.407 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.279 -9.375 3.119 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -2.023 -6.494 3.813 1.00 0.00 C ATOM 0 H ILE A 105 -0.319 -7.618 0.338 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.058 -9.967 0.640 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.165 -8.633 2.475 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.733 -6.842 2.151 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -2.373 -6.409 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.429 -9.076 4.156 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.581 -10.415 2.994 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.226 -9.270 2.860 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.759 -5.438 3.869 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -3.075 -6.619 4.068 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.410 -7.059 4.515 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.168 -8.723 -0.128 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.298 -8.137 -0.819 1.00 0.00 C ATOM 1267 C ILE A 106 -6.432 -7.915 0.174 1.00 0.00 C ATOM 1268 O ILE A 106 -6.977 -8.872 0.730 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.785 -9.039 -1.981 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.723 -9.113 -3.078 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.097 -8.526 -2.558 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.079 -10.057 -4.208 1.00 0.00 C ATOM 0 H ILE A 106 -4.385 -9.597 0.351 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.983 -7.186 -1.248 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.954 -10.039 -1.583 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.565 -8.115 -3.486 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.778 -9.430 -2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.416 -9.177 -3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.859 -8.519 -1.779 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.957 -7.514 -2.937 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.279 -10.057 -4.948 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.208 -11.065 -3.813 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.007 -9.730 -4.677 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.757 -6.659 0.422 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.810 -6.315 1.361 1.00 0.00 C ATOM 1286 C CYS A 107 -9.129 -6.152 0.623 1.00 0.00 C ATOM 1287 O CYS A 107 -9.149 -5.862 -0.574 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.451 -5.029 2.106 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.839 -5.100 2.951 1.00 0.00 S ATOM 0 H CYS A 107 -6.305 -5.857 -0.016 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.914 -7.119 2.090 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -7.445 -4.199 1.399 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -8.228 -4.816 2.841 1.00 0.00 H new ATOM 1294 N TYR A 108 -10.229 -6.352 1.326 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.539 -6.267 0.710 1.00 0.00 C ATOM 1296 C TYR A 108 -12.415 -5.270 1.456 1.00 0.00 C ATOM 1297 O TYR A 108 -12.172 -4.975 2.628 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.208 -7.646 0.689 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.422 -8.701 -0.066 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.508 -8.801 -1.450 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.590 -9.593 0.603 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.792 -9.759 -2.143 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.871 -10.552 -0.085 1.00 0.00 C ATOM 1304 CZ TYR A 108 -9.974 -10.630 -1.456 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.258 -11.588 -2.141 1.00 0.00 O ATOM 0 H TYR A 108 -10.241 -6.574 2.322 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.415 -5.921 -0.316 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.356 -7.983 1.715 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.196 -7.552 0.239 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.145 -8.119 -1.993 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.505 -9.535 1.678 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.873 -9.825 -3.218 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.231 -11.238 0.450 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.731 -12.118 -1.507 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.414 -4.735 0.766 1.00 0.00 N ATOM 1316 CA GLY A 109 -14.369 -3.854 1.408 1.00 0.00 C ATOM 1317 C GLY A 109 -14.015 -2.385 1.288 1.00 0.00 C ATOM 1318 O GLY A 109 -13.960 -1.835 0.183 1.00 0.00 O ATOM 0 H GLY A 109 -13.580 -4.896 -0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.354 -4.019 0.971 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -14.441 -4.117 2.463 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.756 -1.761 2.429 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.597 -0.312 2.513 1.00 0.00 C ATOM 1324 C GLN A 110 -12.147 0.109 2.301 1.00 0.00 C ATOM 1325 O GLN A 110 -11.240 -0.405 2.960 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.082 0.179 3.879 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.547 -0.116 4.155 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.942 0.207 5.582 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.342 1.326 5.890 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -15.845 -0.779 6.460 1.00 0.00 N ATOM 0 H GLN A 110 -13.650 -2.242 3.322 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.195 0.138 1.721 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.475 -0.284 4.657 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.919 1.255 3.946 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.167 0.462 3.470 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.747 -1.169 3.955 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -15.508 -1.695 6.163 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.108 -0.623 7.433 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.944 1.054 1.388 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.618 1.583 1.086 1.00 0.00 C ATOM 1341 C LEU A 111 -9.980 2.204 2.328 1.00 0.00 C ATOM 1342 O LEU A 111 -10.471 3.201 2.861 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.718 2.629 -0.033 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.410 3.341 -0.404 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.402 2.368 -1.004 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.685 4.483 -1.374 1.00 0.00 C ATOM 0 H LEU A 111 -12.693 1.474 0.837 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.986 0.759 0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.109 2.141 -0.926 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.447 3.382 0.264 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.980 3.750 0.510 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.486 2.902 -1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.177 1.585 -0.280 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.821 1.920 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.748 4.978 -1.628 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.144 4.088 -2.280 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.360 5.201 -0.909 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.887 1.604 2.783 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.199 2.105 3.958 1.00 0.00 C ATOM 1360 C GLY A 112 -8.323 1.172 5.143 1.00 0.00 C ATOM 1361 O GLY A 112 -7.592 1.302 6.125 1.00 0.00 O ATOM 0 H GLY A 112 -8.464 0.778 2.359 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.145 2.251 3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.604 3.081 4.224 1.00 0.00 H new ATOM 1365 N SER A 113 -9.251 0.231 5.055 1.00 0.00 N ATOM 1366 CA SER A 113 -9.451 -0.737 6.115 1.00 0.00 C ATOM 1367 C SER A 113 -8.614 -1.987 5.854 1.00 0.00 C ATOM 1368 O SER A 113 -8.866 -2.730 4.905 1.00 0.00 O ATOM 1369 CB SER A 113 -10.935 -1.098 6.224 1.00 0.00 C ATOM 1370 OG SER A 113 -11.180 -1.964 7.320 1.00 0.00 O ATOM 0 H SER A 113 -9.877 0.120 4.257 1.00 0.00 H new ATOM 0 HA SER A 113 -9.129 -0.298 7.059 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.524 -0.188 6.339 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.263 -1.576 5.301 1.00 0.00 H new ATOM 0 HG SER A 113 -12.136 -2.175 7.363 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.613 -2.203 6.695 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.745 -3.369 6.583 1.00 0.00 C ATOM 1378 C PHE A 114 -7.161 -4.434 7.590 1.00 0.00 C ATOM 1379 O PHE A 114 -6.354 -5.267 8.000 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.278 -2.981 6.822 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.711 -2.041 5.792 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.819 -0.668 5.950 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.061 -2.532 4.670 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.290 0.197 5.009 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.531 -1.672 3.729 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.646 -0.305 3.898 1.00 0.00 C ATOM 0 H PHE A 114 -7.380 -1.581 7.469 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.843 -3.768 5.573 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.192 -2.519 7.805 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.673 -3.888 6.842 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.322 -0.269 6.818 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -3.968 -3.599 4.531 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.381 1.265 5.144 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.026 -2.068 2.860 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.232 0.368 3.162 1.00 0.00 H new ATOM 1396 N SER A 115 -8.423 -4.396 7.996 1.00 0.00 N ATOM 1397 CA SER A 115 -8.936 -5.345 8.975 1.00 0.00 C ATOM 1398 C SER A 115 -9.272 -6.682 8.319 1.00 0.00 C ATOM 1399 O SER A 115 -9.112 -7.743 8.925 1.00 0.00 O ATOM 1400 CB SER A 115 -10.166 -4.764 9.672 1.00 0.00 C ATOM 1401 OG SER A 115 -11.087 -4.247 8.729 1.00 0.00 O ATOM 0 H SER A 115 -9.110 -3.719 7.663 1.00 0.00 H new ATOM 0 HA SER A 115 -8.160 -5.525 9.720 1.00 0.00 H new ATOM 0 HB2 SER A 115 -10.648 -5.537 10.270 1.00 0.00 H new ATOM 0 HB3 SER A 115 -9.860 -3.974 10.358 1.00 0.00 H new ATOM 0 HG SER A 115 -10.826 -3.335 8.483 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.722 -6.625 7.076 1.00 0.00 N ATOM 1408 CA ASN A 116 -10.080 -7.824 6.339 1.00 0.00 C ATOM 1409 C ASN A 116 -9.199 -7.955 5.109 1.00 0.00 C ATOM 1410 O ASN A 116 -9.576 -7.547 4.007 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.554 -7.789 5.931 1.00 0.00 C ATOM 1412 CG ASN A 116 -12.000 -9.079 5.269 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.503 -10.162 5.590 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.935 -8.977 4.341 1.00 0.00 N ATOM 0 H ASN A 116 -9.848 -5.757 6.555 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.925 -8.688 6.984 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.168 -7.605 6.812 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.720 -6.956 5.247 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -13.271 -9.812 3.862 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.321 -8.063 4.104 1.00 0.00 H new ATOM 1421 N CYS A 117 -8.014 -8.503 5.304 1.00 0.00 N ATOM 1422 CA CYS A 117 -7.079 -8.678 4.211 1.00 0.00 C ATOM 1423 C CYS A 117 -6.651 -10.134 4.109 1.00 0.00 C ATOM 1424 O CYS A 117 -6.497 -10.820 5.120 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.856 -7.777 4.401 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.264 -6.027 4.704 1.00 0.00 S ATOM 0 H CYS A 117 -7.677 -8.834 6.208 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.576 -8.395 3.283 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.268 -8.152 5.238 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.227 -7.844 3.514 1.00 0.00 H new ATOM 1431 N SER A 118 -6.476 -10.597 2.887 1.00 0.00 N ATOM 1432 CA SER A 118 -6.079 -11.966 2.630 1.00 0.00 C ATOM 1433 C SER A 118 -4.760 -11.977 1.871 1.00 0.00 C ATOM 1434 O SER A 118 -4.437 -11.022 1.170 1.00 0.00 O ATOM 1435 CB SER A 118 -7.169 -12.669 1.815 1.00 0.00 C ATOM 1436 OG SER A 118 -6.874 -14.043 1.626 1.00 0.00 O ATOM 0 H SER A 118 -6.605 -10.035 2.046 1.00 0.00 H new ATOM 0 HA SER A 118 -5.947 -12.496 3.574 1.00 0.00 H new ATOM 0 HB2 SER A 118 -8.127 -12.569 2.325 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.271 -12.181 0.846 1.00 0.00 H new ATOM 0 HG SER A 118 -7.590 -14.462 1.104 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.989 -13.039 2.032 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.762 -13.201 1.267 1.00 0.00 C ATOM 1444 C HIS A 119 -3.113 -13.401 -0.199 1.00 0.00 C ATOM 1445 O HIS A 119 -4.117 -14.046 -0.511 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.944 -14.385 1.793 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.343 -14.145 3.143 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -1.919 -14.585 4.316 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.206 -13.507 3.502 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -1.161 -14.229 5.338 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -0.116 -13.573 4.871 1.00 0.00 N ATOM 0 H HIS A 119 -4.189 -13.799 2.682 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.151 -12.305 1.374 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.584 -15.266 1.841 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.147 -14.609 1.084 1.00 0.00 H new ATOM 0 HD2 HIS A 119 0.500 -13.034 2.836 1.00 0.00 H new ATOM 0 HE1 HIS A 119 -1.362 -14.439 6.378 1.00 0.00 H new ATOM 0 HE2 HIS A 119 0.637 -13.179 5.435 1.00 0.00 H new ATOM 1459 N SER A 120 -2.312 -12.822 -1.088 1.00 0.00 N ATOM 1460 CA SER A 120 -2.591 -12.871 -2.516 1.00 0.00 C ATOM 1461 C SER A 120 -2.584 -14.310 -3.023 1.00 0.00 C ATOM 1462 O SER A 120 -1.525 -14.886 -3.287 1.00 0.00 O ATOM 1463 CB SER A 120 -1.571 -12.025 -3.291 1.00 0.00 C ATOM 1464 OG SER A 120 -1.936 -11.903 -4.658 1.00 0.00 O ATOM 0 H SER A 120 -1.463 -12.313 -0.842 1.00 0.00 H new ATOM 0 HA SER A 120 -3.585 -12.457 -2.682 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.500 -11.035 -2.841 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.584 -12.481 -3.215 1.00 0.00 H new ATOM 0 HG SER A 120 -1.634 -12.695 -5.149 1.00 0.00 H new ATOM 1470 N ARG A 121 -3.774 -14.893 -3.134 1.00 0.00 N ATOM 1471 CA ARG A 121 -3.930 -16.243 -3.654 1.00 0.00 C ATOM 1472 C ARG A 121 -3.545 -16.273 -5.130 1.00 0.00 C ATOM 1473 O ARG A 121 -3.034 -17.272 -5.642 1.00 0.00 O ATOM 1474 CB ARG A 121 -5.379 -16.694 -3.478 1.00 0.00 C ATOM 1475 CG ARG A 121 -5.571 -18.201 -3.471 1.00 0.00 C ATOM 1476 CD ARG A 121 -4.839 -18.858 -2.310 1.00 0.00 C ATOM 1477 NE ARG A 121 -5.340 -20.207 -2.055 1.00 0.00 N ATOM 1478 CZ ARG A 121 -4.561 -21.255 -1.824 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -3.245 -21.115 -1.815 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -5.089 -22.445 -1.590 1.00 0.00 N ATOM 0 H ARG A 121 -4.650 -14.445 -2.867 1.00 0.00 H new ATOM 0 HA ARG A 121 -3.277 -16.922 -3.106 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -5.762 -16.287 -2.542 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -5.980 -16.267 -4.281 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -6.634 -18.432 -3.408 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -5.210 -18.618 -4.411 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -3.772 -18.900 -2.529 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -4.957 -18.250 -1.413 1.00 0.00 H new ATOM 0 HE ARG A 121 -6.350 -20.351 -2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -2.828 -20.200 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.647 -21.922 -1.637 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.102 -22.562 -1.586 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -4.483 -23.246 -1.413 1.00 0.00 H new ATOM 1493 N ASN A 122 -3.789 -15.158 -5.803 1.00 0.00 N ATOM 1494 CA ASN A 122 -3.406 -15.004 -7.198 1.00 0.00 C ATOM 1495 C ASN A 122 -1.921 -14.677 -7.290 1.00 0.00 C ATOM 1496 O ASN A 122 -1.449 -13.713 -6.683 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.234 -13.898 -7.871 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.802 -13.629 -9.304 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -3.285 -14.510 -9.987 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.021 -12.408 -9.773 1.00 0.00 N ATOM 0 H ASN A 122 -4.253 -14.343 -5.402 1.00 0.00 H new ATOM 0 HA ASN A 122 -3.601 -15.941 -7.719 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -5.287 -14.181 -7.861 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.145 -12.980 -7.291 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -3.758 -12.175 -10.730 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.453 -11.702 -9.176 1.00 0.00 H new ATOM 1507 N ASP A 123 -1.190 -15.485 -8.041 1.00 0.00 N ATOM 1508 CA ASP A 123 0.247 -15.299 -8.188 1.00 0.00 C ATOM 1509 C ASP A 123 0.556 -14.157 -9.150 1.00 0.00 C ATOM 1510 O ASP A 123 1.679 -13.654 -9.195 1.00 0.00 O ATOM 1511 CB ASP A 123 0.910 -16.593 -8.666 1.00 0.00 C ATOM 1512 CG ASP A 123 0.339 -17.090 -9.974 1.00 0.00 C ATOM 1513 OD1 ASP A 123 -0.752 -17.695 -9.958 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.977 -16.879 -11.026 1.00 0.00 O ATOM 0 H ASP A 123 -1.568 -16.278 -8.560 1.00 0.00 H new ATOM 0 HA ASP A 123 0.654 -15.039 -7.211 1.00 0.00 H new ATOM 0 HB2 ASP A 123 1.981 -16.427 -8.781 1.00 0.00 H new ATOM 0 HB3 ASP A 123 0.787 -17.363 -7.904 1.00 0.00 H new ATOM 1519 N MET A 124 -0.444 -13.740 -9.911 1.00 0.00 N ATOM 1520 CA MET A 124 -0.295 -12.611 -10.818 1.00 0.00 C ATOM 1521 C MET A 124 -0.615 -11.311 -10.090 1.00 0.00 C ATOM 1522 O MET A 124 -1.510 -10.564 -10.484 1.00 0.00 O ATOM 1523 CB MET A 124 -1.208 -12.766 -12.038 1.00 0.00 C ATOM 1524 CG MET A 124 -0.854 -13.944 -12.928 1.00 0.00 C ATOM 1525 SD MET A 124 -1.971 -14.110 -14.334 1.00 0.00 S ATOM 1526 CE MET A 124 -1.736 -12.532 -15.152 1.00 0.00 C ATOM 0 H MET A 124 -1.370 -14.167 -9.919 1.00 0.00 H new ATOM 0 HA MET A 124 0.738 -12.584 -11.164 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.237 -12.878 -11.697 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.166 -11.851 -12.629 1.00 0.00 H new ATOM 0 HG2 MET A 124 0.167 -13.826 -13.291 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.879 -14.861 -12.339 1.00 0.00 H new ATOM 0 HE1 MET A 124 -2.045 -12.613 -16.194 1.00 0.00 H new ATOM 0 HE2 MET A 124 -2.336 -11.771 -14.653 1.00 0.00 H new ATOM 0 HE3 MET A 124 -0.684 -12.252 -15.107 1.00 0.00 H new ATOM 1536 N CYS A 125 0.113 -11.054 -9.016 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.095 -9.848 -8.231 1.00 0.00 C ATOM 1538 C CYS A 125 0.803 -8.719 -8.713 1.00 0.00 C ATOM 1539 O CYS A 125 2.032 -8.832 -8.694 1.00 0.00 O ATOM 1540 CB CYS A 125 0.157 -10.106 -6.740 1.00 0.00 C ATOM 1541 SG CYS A 125 0.329 -8.585 -5.741 1.00 0.00 S ATOM 0 H CYS A 125 0.853 -11.664 -8.668 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.136 -9.552 -8.364 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.665 -10.700 -6.341 1.00 0.00 H new ATOM 0 HB3 CYS A 125 1.063 -10.703 -6.633 1.00 0.00 H new ATOM 1546 N HIS A 126 0.180 -7.646 -9.169 1.00 0.00 N ATOM 1547 CA HIS A 126 0.901 -6.423 -9.479 1.00 0.00 C ATOM 1548 C HIS A 126 1.054 -5.589 -8.208 1.00 0.00 C ATOM 1549 O HIS A 126 0.067 -5.247 -7.553 1.00 0.00 O ATOM 1550 CB HIS A 126 0.202 -5.628 -10.598 1.00 0.00 C ATOM 1551 CG HIS A 126 -1.298 -5.609 -10.518 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -2.138 -4.920 -9.714 1.00 0.00 N flip ATOM 1553 CD2 HIS A 126 -2.103 -6.363 -11.347 1.00 0.00 C flip ATOM 1554 CE1 HIS A 126 -3.417 -5.268 -10.066 1.00 0.00 C flip ATOM 1555 NE2 HIS A 126 -3.367 -6.140 -11.056 1.00 0.00 N flip ATOM 0 H HIS A 126 -0.826 -7.597 -9.333 1.00 0.00 H new ATOM 0 HA HIS A 126 1.893 -6.680 -9.851 1.00 0.00 H new ATOM 0 HB2 HIS A 126 0.566 -4.601 -10.575 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.495 -6.049 -11.560 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -1.750 -7.033 -12.117 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -4.319 -4.890 -9.608 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -4.170 -6.568 -11.516 1.00 0.00 H new ATOM 1563 N SER A 127 2.298 -5.297 -7.857 1.00 0.00 N ATOM 1564 CA SER A 127 2.619 -4.627 -6.606 1.00 0.00 C ATOM 1565 C SER A 127 2.136 -3.178 -6.603 1.00 0.00 C ATOM 1566 O SER A 127 2.103 -2.528 -7.646 1.00 0.00 O ATOM 1567 CB SER A 127 4.128 -4.694 -6.386 1.00 0.00 C ATOM 1568 OG SER A 127 4.814 -4.790 -7.630 1.00 0.00 O ATOM 0 H SER A 127 3.112 -5.518 -8.431 1.00 0.00 H new ATOM 0 HA SER A 127 2.103 -5.134 -5.791 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.462 -3.807 -5.848 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.372 -5.555 -5.763 1.00 0.00 H new ATOM 0 HG SER A 127 4.979 -3.891 -7.983 1.00 0.00 H new ATOM 1574 N LEU A 128 1.757 -2.682 -5.432 1.00 0.00 N ATOM 1575 CA LEU A 128 1.245 -1.325 -5.309 1.00 0.00 C ATOM 1576 C LEU A 128 2.368 -0.357 -4.947 1.00 0.00 C ATOM 1577 O LEU A 128 3.122 -0.586 -3.998 1.00 0.00 O ATOM 1578 CB LEU A 128 0.121 -1.283 -4.264 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.650 0.036 -4.164 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.078 -0.223 -3.712 1.00 0.00 C ATOM 1581 CD2 LEU A 128 0.036 0.985 -3.191 1.00 0.00 C ATOM 0 H LEU A 128 1.795 -3.200 -4.554 1.00 0.00 H new ATOM 0 HA LEU A 128 0.835 -1.013 -6.270 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.588 -2.080 -4.489 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.551 -1.505 -3.287 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.667 0.499 -5.151 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.616 0.723 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -2.575 -0.873 -4.432 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.068 -0.705 -2.734 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -0.527 1.917 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 128 0.079 0.525 -2.204 1.00 0.00 H new ATOM 0 HD23 LEU A 128 1.048 1.193 -3.538 1.00 0.00 H new ATOM 1593 N GLY A 129 2.461 0.728 -5.703 1.00 0.00 N ATOM 1594 CA GLY A 129 3.507 1.702 -5.494 1.00 0.00 C ATOM 1595 C GLY A 129 2.961 3.052 -5.084 1.00 0.00 C ATOM 1596 O GLY A 129 2.053 3.589 -5.726 1.00 0.00 O ATOM 0 H GLY A 129 1.821 0.950 -6.466 1.00 0.00 H new ATOM 0 HA2 GLY A 129 4.189 1.340 -4.725 1.00 0.00 H new ATOM 0 HA3 GLY A 129 4.088 1.810 -6.410 1.00 0.00 H new ATOM 1600 N LEU A 130 3.512 3.598 -4.016 1.00 0.00 N ATOM 1601 CA LEU A 130 3.113 4.907 -3.532 1.00 0.00 C ATOM 1602 C LEU A 130 4.271 5.883 -3.706 1.00 0.00 C ATOM 1603 O LEU A 130 5.413 5.573 -3.356 1.00 0.00 O ATOM 1604 CB LEU A 130 2.700 4.824 -2.058 1.00 0.00 C ATOM 1605 CG LEU A 130 2.368 6.162 -1.382 1.00 0.00 C ATOM 1606 CD1 LEU A 130 1.152 6.816 -2.026 1.00 0.00 C ATOM 1607 CD2 LEU A 130 2.138 5.959 0.108 1.00 0.00 C ATOM 0 H LEU A 130 4.243 3.151 -3.463 1.00 0.00 H new ATOM 0 HA LEU A 130 2.257 5.260 -4.107 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.829 4.173 -1.980 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.506 4.347 -1.500 1.00 0.00 H new ATOM 0 HG LEU A 130 3.219 6.830 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.940 7.762 -1.527 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.354 7.000 -3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.290 6.155 -1.931 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.904 6.916 0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.307 5.270 0.257 1.00 0.00 H new ATOM 0 HD23 LEU A 130 3.038 5.545 0.562 1.00 0.00 H new ATOM 1619 N THR A 131 3.986 7.041 -4.278 1.00 0.00 N ATOM 1620 CA THR A 131 4.999 8.059 -4.479 1.00 0.00 C ATOM 1621 C THR A 131 4.620 9.344 -3.754 1.00 0.00 C ATOM 1622 O THR A 131 3.668 10.026 -4.134 1.00 0.00 O ATOM 1623 CB THR A 131 5.198 8.345 -5.978 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.630 7.145 -6.637 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.215 9.459 -6.202 1.00 0.00 C ATOM 0 H THR A 131 3.057 7.298 -4.612 1.00 0.00 H new ATOM 0 HA THR A 131 5.936 7.684 -4.067 1.00 0.00 H new ATOM 0 HB THR A 131 4.247 8.675 -6.396 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.756 7.324 -7.592 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.332 9.636 -7.271 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.867 10.372 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 131 7.175 9.167 -5.776 1.00 0.00 H new ATOM 1633 N CYS A 132 5.354 9.648 -2.698 1.00 0.00 N ATOM 1634 CA CYS A 132 5.148 10.873 -1.944 1.00 0.00 C ATOM 1635 C CYS A 132 6.228 11.881 -2.329 1.00 0.00 C ATOM 1636 O CYS A 132 7.365 11.498 -2.607 1.00 0.00 O ATOM 1637 CB CYS A 132 5.193 10.581 -0.439 1.00 0.00 C ATOM 1638 SG CYS A 132 4.254 9.095 0.056 1.00 0.00 S ATOM 0 H CYS A 132 6.105 9.057 -2.340 1.00 0.00 H new ATOM 0 HA CYS A 132 4.168 11.289 -2.178 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.232 10.460 -0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.800 11.443 0.100 1.00 0.00 H new ATOM 1643 N LEU A 133 5.863 13.158 -2.371 1.00 0.00 N ATOM 1644 CA LEU A 133 6.781 14.211 -2.796 1.00 0.00 C ATOM 1645 C LEU A 133 8.005 14.307 -1.886 1.00 0.00 C ATOM 1646 O LEU A 133 7.929 14.858 -0.787 1.00 0.00 O ATOM 1647 CB LEU A 133 6.061 15.563 -2.828 1.00 0.00 C ATOM 1648 CG LEU A 133 4.999 15.716 -3.918 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.264 17.033 -3.760 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.631 15.633 -5.299 1.00 0.00 C ATOM 0 H LEU A 133 4.934 13.491 -2.115 1.00 0.00 H new ATOM 0 HA LEU A 133 7.125 13.952 -3.797 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.589 15.727 -1.859 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.805 16.349 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 133 4.284 14.900 -3.814 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.512 17.126 -4.543 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.778 17.064 -2.785 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.973 17.857 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 133 4.859 15.744 -6.060 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.367 16.429 -5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.121 14.666 -5.418 1.00 0.00 H new ATOM 1662 N GLU A 134 9.121 13.763 -2.349 1.00 0.00 N ATOM 1663 CA GLU A 134 10.393 13.887 -1.651 1.00 0.00 C ATOM 1664 C GLU A 134 11.519 13.756 -2.670 1.00 0.00 C ATOM 1665 O GLU A 134 11.964 12.617 -2.922 1.00 0.00 O ATOM 1666 CB GLU A 134 10.526 12.812 -0.561 1.00 0.00 C ATOM 1667 CG GLU A 134 11.405 13.207 0.627 1.00 0.00 C ATOM 1668 CD GLU A 134 12.834 13.561 0.249 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.656 12.640 0.054 1.00 0.00 O ATOM 1670 OE2 GLU A 134 13.149 14.766 0.165 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.921 14.785 -3.246 1.00 0.00 O ATOM 0 H GLU A 134 9.171 13.226 -3.215 1.00 0.00 H new ATOM 0 HA GLU A 134 10.447 14.859 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 134 9.531 12.564 -0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.934 11.907 -1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.952 14.060 1.133 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.422 12.384 1.342 1.00 0.00 H new TER 1678 GLU A 134