USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 795 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 104 SER OG : rot 83:sc= 1.03 USER MOD Set 1.2: A 120 SER OG : rot 47:sc= 1.36 USER MOD Set 2.1: A 108 TYR OH : rot 130:sc= 0.562 USER MOD Set 2.2: A 118 SER OG : rot 118:sc= 0.635 USER MOD Set 3.1: A 69 LYS NZ :NH3+ 172:sc= -0.0125 (180deg=-0.134) USER MOD Set 3.2: A 70 GLN : amide:sc= -0.805! C(o=-0.82!,f=-4.6!) USER MOD Set 4.1: A 47 GLN : amide:sc= -0.0332 K(o=0.48,f=-0.26!) USER MOD Set 4.2: A 58 MET CE :methyl 162:sc= -0.133 (180deg=-0.691) USER MOD Set 4.3: A 98 THR OG1 : rot -90:sc= 0.325 USER MOD Set 4.4: A 127 SER OG : rot 155:sc= 0.322 USER MOD Set 5.1: A 29 TYR OH : rot 166:sc= 0.152 USER MOD Set 5.2: A 79 LYS NZ :NH3+ -146:sc= 0.544 (180deg=-0.228) USER MOD Single : A 27 SER OG : rot -15:sc= 1.19 USER MOD Single : A 34 GLN : amide:sc=-0.00171 K(o=-0.0017,f=-5.3!) USER MOD Single : A 38 THR OG1 : rot -149:sc= 1.32 USER MOD Single : A 40 SER OG : rot 165:sc= 1.53 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 SER OG : rot 166:sc= 1.07 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.193 K(o=-0.19,f=-3.5!) 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= 0.117 K(o=0.12,f=-0.65) USER MOD Single : A 61 SER OG : rot 109:sc= -0.551 USER MOD Single : A 62 GLN : amide:sc= -0.406! C(o=-0.41!,f=-7.9!) USER MOD Single : A 63 SER OG : rot 85:sc= 1.92 USER MOD Single : A 67 SER OG : rot 130:sc= 0.233 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 89:sc= 1.03 USER MOD Single : A 76 GLN : amide:sc= -0.306 X(o=-0.31,f=-0.75) USER MOD Single : A 78 SER OG : rot 87:sc= 0.745 USER MOD Single : A 82 GLN : amide:sc= -0.613 X(o=-0.61,f=-0.26) USER MOD Single : A 85 ASN : amide:sc= -0.207 K(o=-0.21,f=-1.4!) USER MOD Single : A 91 SER OG : rot 180:sc=-0.00974 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 100 THR OG1 : rot -170:sc= -0.77 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 ASN : amide:sc= 0 X(o=0,f=-0.048) USER MOD Single : A 119 HIS : no HD1:sc= -0.0403 X(o=-0.04,f=-0.04) USER MOD Single : A 122 ASN : amide:sc= 0.366 K(o=0.37,f=-5.5!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 126 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.406 -1.282 11.322 1.00 0.00 N ATOM 24 CA LEU A 26 -7.150 -0.882 10.707 1.00 0.00 C ATOM 25 C LEU A 26 -7.405 -0.124 9.416 1.00 0.00 C ATOM 26 O LEU A 26 -7.795 -0.708 8.410 1.00 0.00 O ATOM 27 CB LEU A 26 -6.256 -2.093 10.418 1.00 0.00 C ATOM 28 CG LEU A 26 -5.683 -2.813 11.640 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.909 -4.042 11.204 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.780 -1.886 12.439 1.00 0.00 C ATOM 0 HA LEU A 26 -6.635 -0.232 11.414 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.831 -2.812 9.834 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.426 -1.765 9.792 1.00 0.00 H new ATOM 0 HG LEU A 26 -6.512 -3.120 12.278 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -4.505 -4.548 12.081 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -5.574 -4.720 10.669 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.091 -3.743 10.549 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.384 -2.420 13.303 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.955 -1.551 11.810 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.353 -1.022 12.777 1.00 0.00 H new ATOM 42 N SER A 27 -7.213 1.174 9.465 1.00 0.00 N ATOM 43 CA SER A 27 -7.255 2.006 8.279 1.00 0.00 C ATOM 44 C SER A 27 -6.041 2.919 8.287 1.00 0.00 C ATOM 45 O SER A 27 -5.385 3.067 9.321 1.00 0.00 O ATOM 46 CB SER A 27 -8.550 2.826 8.245 1.00 0.00 C ATOM 47 OG SER A 27 -8.690 3.634 9.405 1.00 0.00 O ATOM 0 H SER A 27 -7.023 1.685 10.327 1.00 0.00 H new ATOM 0 HA SER A 27 -7.237 1.380 7.387 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.557 3.459 7.358 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.404 2.154 8.164 1.00 0.00 H new ATOM 0 HG SER A 27 -8.061 3.331 10.093 1.00 0.00 H new ATOM 53 N TRP A 28 -5.735 3.533 7.149 1.00 0.00 N ATOM 54 CA TRP A 28 -4.601 4.452 7.068 1.00 0.00 C ATOM 55 C TRP A 28 -4.908 5.793 7.744 1.00 0.00 C ATOM 56 O TRP A 28 -4.364 6.831 7.372 1.00 0.00 O ATOM 57 CB TRP A 28 -4.152 4.659 5.611 1.00 0.00 C ATOM 58 CG TRP A 28 -5.242 5.037 4.640 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.440 5.640 4.914 1.00 0.00 C ATOM 60 CD2 TRP A 28 -5.212 4.844 3.219 1.00 0.00 C ATOM 61 NE1 TRP A 28 -7.157 5.816 3.754 1.00 0.00 N ATOM 62 CE2 TRP A 28 -6.423 5.340 2.701 1.00 0.00 C ATOM 63 CE3 TRP A 28 -4.278 4.294 2.336 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.721 5.305 1.341 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.574 4.260 0.986 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.787 4.763 0.500 1.00 0.00 C ATOM 0 H TRP A 28 -6.250 3.414 6.276 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.775 3.993 7.612 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.388 5.436 5.592 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.681 3.740 5.261 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.773 5.935 5.898 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -8.085 6.234 3.689 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -3.341 3.902 2.702 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.656 5.692 0.963 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.858 3.839 0.295 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.990 4.722 -0.560 1.00 0.00 H new ATOM 77 N TYR A 29 -5.788 5.751 8.736 1.00 0.00 N ATOM 78 CA TYR A 29 -6.086 6.906 9.565 1.00 0.00 C ATOM 79 C TYR A 29 -6.073 6.521 11.041 1.00 0.00 C ATOM 80 O TYR A 29 -6.521 7.283 11.897 1.00 0.00 O ATOM 81 CB TYR A 29 -7.431 7.520 9.179 1.00 0.00 C ATOM 82 CG TYR A 29 -7.283 8.720 8.273 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.174 8.578 6.894 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.228 10.001 8.804 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.013 9.679 6.075 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.063 11.103 7.994 1.00 0.00 C ATOM 87 CZ TYR A 29 -6.958 10.940 6.632 1.00 0.00 C ATOM 88 OH TYR A 29 -6.776 12.043 5.832 1.00 0.00 O ATOM 0 H TYR A 29 -6.314 4.914 8.987 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.312 7.655 9.398 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.041 6.766 8.681 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.964 7.815 10.083 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.216 7.592 6.456 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -7.316 10.136 9.872 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.931 9.553 5.006 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.016 12.091 8.427 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.982 12.854 6.342 1.00 0.00 H new ATOM 98 N ASP A 30 -5.551 5.333 11.326 1.00 0.00 N ATOM 99 CA ASP A 30 -5.400 4.865 12.700 1.00 0.00 C ATOM 100 C ASP A 30 -3.965 5.071 13.160 1.00 0.00 C ATOM 101 O ASP A 30 -3.026 4.845 12.402 1.00 0.00 O ATOM 102 CB ASP A 30 -5.763 3.380 12.821 1.00 0.00 C ATOM 103 CG ASP A 30 -7.250 3.116 12.686 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.984 3.308 13.678 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.691 2.704 11.597 1.00 0.00 O ATOM 0 H ASP A 30 -5.224 4.673 10.620 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.078 5.441 13.330 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.230 2.819 12.054 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.420 3.006 13.786 1.00 0.00 H new ATOM 110 N PRO A 31 -3.779 5.498 14.420 1.00 0.00 N ATOM 111 CA PRO A 31 -2.449 5.751 14.994 1.00 0.00 C ATOM 112 C PRO A 31 -1.625 4.472 15.136 1.00 0.00 C ATOM 113 O PRO A 31 -0.418 4.516 15.380 1.00 0.00 O ATOM 114 CB PRO A 31 -2.752 6.341 16.378 1.00 0.00 C ATOM 115 CG PRO A 31 -4.193 6.720 16.347 1.00 0.00 C ATOM 116 CD PRO A 31 -4.849 5.774 15.387 1.00 0.00 C ATOM 0 HA PRO A 31 -1.857 6.409 14.358 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.555 5.614 17.166 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.123 7.208 16.580 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.639 6.641 17.339 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.318 7.753 16.023 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.190 4.865 15.884 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.720 6.222 14.909 1.00 0.00 H new ATOM 124 N ASP A 32 -2.295 3.334 14.999 1.00 0.00 N ATOM 125 CA ASP A 32 -1.640 2.031 15.072 1.00 0.00 C ATOM 126 C ASP A 32 -1.133 1.599 13.704 1.00 0.00 C ATOM 127 O ASP A 32 -0.433 0.588 13.581 1.00 0.00 O ATOM 128 CB ASP A 32 -2.607 0.971 15.609 1.00 0.00 C ATOM 129 CG ASP A 32 -2.833 1.076 17.103 1.00 0.00 C ATOM 130 OD1 ASP A 32 -3.470 2.053 17.550 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.374 0.180 17.839 1.00 0.00 O ATOM 0 H ASP A 32 -3.301 3.287 14.835 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.793 2.126 15.751 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.564 1.067 15.095 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.217 -0.020 15.375 1.00 0.00 H new ATOM 136 N PHE A 33 -1.479 2.368 12.680 1.00 0.00 N ATOM 137 CA PHE A 33 -1.128 2.021 11.314 1.00 0.00 C ATOM 138 C PHE A 33 0.319 2.403 11.013 1.00 0.00 C ATOM 139 O PHE A 33 0.686 3.577 11.051 1.00 0.00 O ATOM 140 CB PHE A 33 -2.080 2.712 10.333 1.00 0.00 C ATOM 141 CG PHE A 33 -1.817 2.380 8.893 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.221 1.163 8.367 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.168 3.283 8.063 1.00 0.00 C ATOM 144 CE1 PHE A 33 -1.984 0.854 7.043 1.00 0.00 C ATOM 145 CE2 PHE A 33 -0.929 2.978 6.738 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.337 1.762 6.228 1.00 0.00 C ATOM 0 H PHE A 33 -2.004 3.238 12.773 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.225 0.942 11.196 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.105 2.433 10.579 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.003 3.791 10.467 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.727 0.449 9.000 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.846 4.235 8.458 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.304 -0.097 6.644 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.424 3.689 6.102 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.150 1.521 5.192 1.00 0.00 H new ATOM 156 N GLN A 34 1.133 1.401 10.724 1.00 0.00 N ATOM 157 CA GLN A 34 2.532 1.618 10.389 1.00 0.00 C ATOM 158 C GLN A 34 2.821 1.095 8.992 1.00 0.00 C ATOM 159 O GLN A 34 2.385 0.002 8.632 1.00 0.00 O ATOM 160 CB GLN A 34 3.440 0.930 11.412 1.00 0.00 C ATOM 161 CG GLN A 34 3.349 1.538 12.800 1.00 0.00 C ATOM 162 CD GLN A 34 3.816 2.984 12.845 1.00 0.00 C ATOM 163 OE1 GLN A 34 3.301 3.785 13.618 1.00 0.00 O ATOM 164 NE2 GLN A 34 4.812 3.320 12.038 1.00 0.00 N ATOM 0 H GLN A 34 0.847 0.422 10.715 1.00 0.00 H new ATOM 0 HA GLN A 34 2.735 2.689 10.413 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.178 -0.127 11.468 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.472 0.984 11.066 1.00 0.00 H new ATOM 0 HG2 GLN A 34 2.317 1.484 13.148 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.950 0.946 13.490 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.215 2.626 11.409 1.00 0.00 H new ATOM 0 HE22 GLN A 34 5.176 4.273 12.046 1.00 0.00 H new ATOM 173 N ALA A 35 3.540 1.880 8.205 1.00 0.00 N ATOM 174 CA ALA A 35 3.864 1.500 6.839 1.00 0.00 C ATOM 175 C ALA A 35 5.276 1.939 6.478 1.00 0.00 C ATOM 176 O ALA A 35 5.818 2.862 7.087 1.00 0.00 O ATOM 177 CB ALA A 35 2.855 2.102 5.869 1.00 0.00 C ATOM 0 H ALA A 35 3.911 2.786 8.490 1.00 0.00 H new ATOM 0 HA ALA A 35 3.815 0.414 6.764 1.00 0.00 H new ATOM 0 HB1 ALA A 35 3.110 1.809 4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.856 1.739 6.111 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.876 3.189 5.950 1.00 0.00 H new ATOM 183 N ARG A 36 5.869 1.267 5.501 1.00 0.00 N ATOM 184 CA ARG A 36 7.208 1.602 5.048 1.00 0.00 C ATOM 185 C ARG A 36 7.348 1.328 3.557 1.00 0.00 C ATOM 186 O ARG A 36 6.618 0.509 2.994 1.00 0.00 O ATOM 187 CB ARG A 36 8.271 0.801 5.815 1.00 0.00 C ATOM 188 CG ARG A 36 8.170 -0.704 5.619 1.00 0.00 C ATOM 189 CD ARG A 36 9.447 -1.410 6.055 1.00 0.00 C ATOM 190 NE ARG A 36 9.719 -1.275 7.485 1.00 0.00 N ATOM 191 CZ ARG A 36 10.892 -0.871 7.971 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.850 -0.479 7.144 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.110 -0.857 9.276 1.00 0.00 N ATOM 0 H ARG A 36 5.441 0.484 5.007 1.00 0.00 H new ATOM 0 HA ARG A 36 7.365 2.663 5.240 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.260 1.133 5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 36 8.184 1.026 6.878 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.326 -1.091 6.190 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.972 -0.923 4.570 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.374 -2.468 5.804 1.00 0.00 H new ATOM 0 HD3 ARG A 36 10.288 -1.006 5.492 1.00 0.00 H new ATOM 0 HE ARG A 36 8.974 -1.501 8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.689 -0.487 6.137 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.748 -0.169 7.515 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.377 -1.157 9.919 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.011 -0.546 9.639 1.00 0.00 H new ATOM 206 N LEU A 37 8.282 2.021 2.929 1.00 0.00 N ATOM 207 CA LEU A 37 8.593 1.809 1.526 1.00 0.00 C ATOM 208 C LEU A 37 9.996 1.223 1.419 1.00 0.00 C ATOM 209 O LEU A 37 10.983 1.953 1.361 1.00 0.00 O ATOM 210 CB LEU A 37 8.491 3.133 0.773 1.00 0.00 C ATOM 211 CG LEU A 37 7.142 3.844 0.917 1.00 0.00 C ATOM 212 CD1 LEU A 37 7.229 5.269 0.412 1.00 0.00 C ATOM 213 CD2 LEU A 37 6.057 3.094 0.166 1.00 0.00 C ATOM 0 H LEU A 37 8.845 2.745 3.376 1.00 0.00 H new ATOM 0 HA LEU A 37 7.884 1.112 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.278 3.799 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.680 2.950 -0.285 1.00 0.00 H new ATOM 0 HG LEU A 37 6.886 3.864 1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 37 6.260 5.755 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.977 5.814 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.514 5.265 -0.640 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.107 3.616 0.282 1.00 0.00 H new ATOM 0 HD22 LEU A 37 6.316 3.042 -0.891 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.967 2.085 0.568 1.00 0.00 H new ATOM 225 N THR A 38 10.058 -0.103 1.420 1.00 0.00 N ATOM 226 CA THR A 38 11.280 -0.847 1.728 1.00 0.00 C ATOM 227 C THR A 38 12.473 -0.534 0.825 1.00 0.00 C ATOM 228 O THR A 38 13.391 0.188 1.229 1.00 0.00 O ATOM 229 CB THR A 38 11.002 -2.358 1.699 1.00 0.00 C ATOM 230 OG1 THR A 38 10.148 -2.677 0.590 1.00 0.00 O ATOM 231 CG2 THR A 38 10.356 -2.806 2.999 1.00 0.00 C ATOM 0 H THR A 38 9.258 -0.699 1.206 1.00 0.00 H new ATOM 0 HA THR A 38 11.567 -0.518 2.727 1.00 0.00 H new ATOM 0 HB THR A 38 11.949 -2.884 1.584 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.586 -3.446 0.820 1.00 0.00 H new ATOM 0 HG21 THR A 38 10.166 -3.879 2.960 1.00 0.00 H new ATOM 0 HG22 THR A 38 11.024 -2.585 3.832 1.00 0.00 H new ATOM 0 HG23 THR A 38 9.414 -2.276 3.139 1.00 0.00 H new ATOM 239 N ARG A 39 12.482 -1.104 -0.372 1.00 0.00 N ATOM 240 CA ARG A 39 13.635 -0.999 -1.258 1.00 0.00 C ATOM 241 C ARG A 39 13.206 -0.731 -2.692 1.00 0.00 C ATOM 242 O ARG A 39 12.961 -1.657 -3.467 1.00 0.00 O ATOM 243 CB ARG A 39 14.475 -2.280 -1.211 1.00 0.00 C ATOM 244 CG ARG A 39 15.067 -2.585 0.158 1.00 0.00 C ATOM 245 CD ARG A 39 15.826 -3.901 0.148 1.00 0.00 C ATOM 246 NE ARG A 39 14.962 -5.020 -0.229 1.00 0.00 N ATOM 247 CZ ARG A 39 15.210 -6.285 0.081 1.00 0.00 C ATOM 248 NH1 ARG A 39 16.288 -6.598 0.784 1.00 0.00 N ATOM 249 NH2 ARG A 39 14.376 -7.238 -0.300 1.00 0.00 N ATOM 0 H ARG A 39 11.705 -1.644 -0.753 1.00 0.00 H new ATOM 0 HA ARG A 39 14.237 -0.160 -0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 39 13.854 -3.120 -1.522 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.285 -2.197 -1.935 1.00 0.00 H new ATOM 0 HG2 ARG A 39 15.737 -1.778 0.455 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.270 -2.628 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.661 -3.835 -0.550 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.250 -4.085 1.135 1.00 0.00 H new ATOM 0 HE ARG A 39 14.117 -4.814 -0.763 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.929 -5.865 1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.477 -7.572 1.021 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.540 -7.001 -0.834 1.00 0.00 H new ATOM 0 HH22 ARG A 39 14.569 -8.210 -0.060 1.00 0.00 H new ATOM 262 N SER A 40 13.104 0.533 -3.036 1.00 0.00 N ATOM 263 CA SER A 40 12.776 0.931 -4.392 1.00 0.00 C ATOM 264 C SER A 40 13.916 1.746 -4.994 1.00 0.00 C ATOM 265 O SER A 40 14.649 1.274 -5.863 1.00 0.00 O ATOM 266 CB SER A 40 11.487 1.750 -4.380 1.00 0.00 C ATOM 267 OG SER A 40 11.587 2.815 -3.445 1.00 0.00 O ATOM 0 H SER A 40 13.244 1.311 -2.391 1.00 0.00 H new ATOM 0 HA SER A 40 12.631 0.041 -5.004 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.292 2.149 -5.376 1.00 0.00 H new ATOM 0 HB3 SER A 40 10.644 1.109 -4.123 1.00 0.00 H new ATOM 0 HG SER A 40 10.874 3.466 -3.614 1.00 0.00 H new ATOM 273 N ASN A 41 14.060 2.964 -4.497 1.00 0.00 N ATOM 274 CA ASN A 41 15.076 3.895 -4.965 1.00 0.00 C ATOM 275 C ASN A 41 15.072 5.123 -4.065 1.00 0.00 C ATOM 276 O ASN A 41 16.118 5.694 -3.754 1.00 0.00 O ATOM 277 CB ASN A 41 14.804 4.298 -6.420 1.00 0.00 C ATOM 278 CG ASN A 41 15.939 5.094 -7.034 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.966 6.320 -6.960 1.00 0.00 O ATOM 280 ND2 ASN A 41 16.883 4.402 -7.652 1.00 0.00 N ATOM 0 H ASN A 41 13.471 3.338 -3.752 1.00 0.00 H new ATOM 0 HA ASN A 41 16.054 3.416 -4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 41 14.633 3.400 -7.014 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.888 4.888 -6.463 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.668 4.886 -8.088 1.00 0.00 H new ATOM 0 HD22 ASN A 41 16.826 3.384 -7.692 1.00 0.00 H new ATOM 287 N SER A 42 13.881 5.500 -3.621 1.00 0.00 N ATOM 288 CA SER A 42 13.713 6.632 -2.730 1.00 0.00 C ATOM 289 C SER A 42 12.862 6.214 -1.538 1.00 0.00 C ATOM 290 O SER A 42 12.250 5.150 -1.551 1.00 0.00 O ATOM 291 CB SER A 42 13.058 7.795 -3.476 1.00 0.00 C ATOM 292 OG SER A 42 12.966 8.949 -2.659 1.00 0.00 O ATOM 0 H SER A 42 13.010 5.030 -3.869 1.00 0.00 H new ATOM 0 HA SER A 42 14.688 6.962 -2.372 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.636 8.026 -4.371 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.062 7.502 -3.807 1.00 0.00 H new ATOM 0 HG SER A 42 12.750 9.727 -3.215 1.00 0.00 H new ATOM 298 N LYS A 43 12.819 7.056 -0.519 1.00 0.00 N ATOM 299 CA LYS A 43 12.145 6.713 0.726 1.00 0.00 C ATOM 300 C LYS A 43 10.734 7.292 0.774 1.00 0.00 C ATOM 301 O LYS A 43 10.006 7.089 1.743 1.00 0.00 O ATOM 302 CB LYS A 43 12.961 7.208 1.925 1.00 0.00 C ATOM 303 CG LYS A 43 12.990 8.722 2.076 1.00 0.00 C ATOM 304 CD LYS A 43 13.904 9.142 3.213 1.00 0.00 C ATOM 305 CE LYS A 43 13.772 10.623 3.524 1.00 0.00 C ATOM 306 NZ LYS A 43 14.711 11.038 4.602 1.00 0.00 N ATOM 0 H LYS A 43 13.243 7.984 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 43 12.063 5.627 0.773 1.00 0.00 H new ATOM 0 HB2 LYS A 43 12.550 6.771 2.835 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.984 6.844 1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.330 9.177 1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.981 9.091 2.261 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.667 8.561 4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.938 8.916 2.951 1.00 0.00 H new ATOM 0 HE2 LYS A 43 13.970 11.204 2.623 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.748 10.843 3.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 14.596 12.054 4.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.505 10.500 5.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.689 10.850 4.302 1.00 0.00 H new ATOM 319 N CYS A 44 10.353 8.015 -0.270 1.00 0.00 N ATOM 320 CA CYS A 44 9.019 8.599 -0.341 1.00 0.00 C ATOM 321 C CYS A 44 8.242 8.020 -1.515 1.00 0.00 C ATOM 322 O CYS A 44 7.243 8.589 -1.955 1.00 0.00 O ATOM 323 CB CYS A 44 9.102 10.123 -0.465 1.00 0.00 C ATOM 324 SG CYS A 44 9.920 10.940 0.942 1.00 0.00 S ATOM 0 H CYS A 44 10.945 8.211 -1.077 1.00 0.00 H new ATOM 0 HA CYS A 44 8.493 8.353 0.581 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.640 10.374 -1.379 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.094 10.524 -0.568 1.00 0.00 H new ATOM 329 N GLN A 45 8.704 6.882 -2.015 1.00 0.00 N ATOM 330 CA GLN A 45 8.034 6.196 -3.109 1.00 0.00 C ATOM 331 C GLN A 45 8.501 4.752 -3.165 1.00 0.00 C ATOM 332 O GLN A 45 9.647 4.459 -2.832 1.00 0.00 O ATOM 333 CB GLN A 45 8.300 6.914 -4.445 1.00 0.00 C ATOM 334 CG GLN A 45 9.773 7.075 -4.797 1.00 0.00 C ATOM 335 CD GLN A 45 10.272 6.035 -5.788 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.780 4.910 -5.841 1.00 0.00 O ATOM 337 NE2 GLN A 45 11.261 6.413 -6.584 1.00 0.00 N ATOM 0 H GLN A 45 9.545 6.413 -1.678 1.00 0.00 H new ATOM 0 HA GLN A 45 6.958 6.211 -2.935 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.808 6.360 -5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.839 7.901 -4.410 1.00 0.00 H new ATOM 0 HG2 GLN A 45 9.933 8.070 -5.213 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.366 7.012 -3.885 1.00 0.00 H new ATOM 0 HE21 GLN A 45 11.643 7.356 -6.510 1.00 0.00 H new ATOM 0 HE22 GLN A 45 11.640 5.761 -7.271 1.00 0.00 H new ATOM 346 N GLY A 46 7.617 3.848 -3.548 1.00 0.00 N ATOM 347 CA GLY A 46 8.017 2.463 -3.697 1.00 0.00 C ATOM 348 C GLY A 46 6.928 1.492 -3.303 1.00 0.00 C ATOM 349 O GLY A 46 5.757 1.867 -3.238 1.00 0.00 O ATOM 0 H GLY A 46 6.638 4.043 -3.757 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.301 2.281 -4.733 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.901 2.277 -3.087 1.00 0.00 H new ATOM 353 N GLN A 47 7.319 0.244 -3.049 1.00 0.00 N ATOM 354 CA GLN A 47 6.377 -0.793 -2.640 1.00 0.00 C ATOM 355 C GLN A 47 5.807 -0.481 -1.263 1.00 0.00 C ATOM 356 O GLN A 47 6.554 -0.293 -0.300 1.00 0.00 O ATOM 357 CB GLN A 47 7.066 -2.162 -2.615 1.00 0.00 C ATOM 358 CG GLN A 47 7.442 -2.693 -3.990 1.00 0.00 C ATOM 359 CD GLN A 47 8.455 -3.822 -3.922 1.00 0.00 C ATOM 360 OE1 GLN A 47 9.294 -3.861 -3.024 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.380 -4.752 -4.861 1.00 0.00 N ATOM 0 H GLN A 47 8.286 -0.073 -3.120 1.00 0.00 H new ATOM 0 HA GLN A 47 5.562 -0.818 -3.364 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.967 -2.092 -2.005 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.406 -2.880 -2.128 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.544 -3.045 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 47 7.849 -1.880 -4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.670 -4.685 -5.590 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.033 -5.536 -4.856 1.00 0.00 H new ATOM 370 N LEU A 48 4.487 -0.422 -1.177 1.00 0.00 N ATOM 371 CA LEU A 48 3.826 -0.122 0.079 1.00 0.00 C ATOM 372 C LEU A 48 3.707 -1.372 0.938 1.00 0.00 C ATOM 373 O LEU A 48 2.911 -2.268 0.647 1.00 0.00 O ATOM 374 CB LEU A 48 2.438 0.476 -0.176 1.00 0.00 C ATOM 375 CG LEU A 48 1.659 0.877 1.079 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.388 1.975 1.838 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.253 1.324 0.711 1.00 0.00 C ATOM 0 H LEU A 48 3.855 -0.578 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 48 4.431 0.609 0.615 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.550 1.355 -0.811 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.846 -0.248 -0.736 1.00 0.00 H new ATOM 0 HG LEU A 48 1.585 0.006 1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.816 2.244 2.726 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.374 1.619 2.135 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.496 2.850 1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.287 1.606 1.615 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.308 2.181 0.039 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.271 0.507 0.215 1.00 0.00 H new ATOM 389 N GLU A 49 4.517 -1.438 1.981 1.00 0.00 N ATOM 390 CA GLU A 49 4.420 -2.516 2.947 1.00 0.00 C ATOM 391 C GLU A 49 3.870 -1.980 4.259 1.00 0.00 C ATOM 392 O GLU A 49 4.397 -1.016 4.817 1.00 0.00 O ATOM 393 CB GLU A 49 5.777 -3.196 3.167 1.00 0.00 C ATOM 394 CG GLU A 49 6.239 -4.024 1.978 1.00 0.00 C ATOM 395 CD GLU A 49 7.527 -4.773 2.244 1.00 0.00 C ATOM 396 OE1 GLU A 49 7.581 -5.540 3.228 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.483 -4.619 1.458 1.00 0.00 O ATOM 0 H GLU A 49 5.249 -0.756 2.180 1.00 0.00 H new ATOM 0 HA GLU A 49 3.738 -3.270 2.553 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.526 -2.434 3.382 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.715 -3.839 4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.458 -4.737 1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.377 -3.369 1.118 1.00 0.00 H new ATOM 404 N VAL A 50 2.798 -2.594 4.731 1.00 0.00 N ATOM 405 CA VAL A 50 2.135 -2.151 5.949 1.00 0.00 C ATOM 406 C VAL A 50 2.291 -3.189 7.050 1.00 0.00 C ATOM 407 O VAL A 50 2.445 -4.380 6.770 1.00 0.00 O ATOM 408 CB VAL A 50 0.631 -1.871 5.721 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.443 -0.775 4.685 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.106 -3.135 5.301 1.00 0.00 C ATOM 0 H VAL A 50 2.366 -3.405 4.288 1.00 0.00 H new ATOM 0 HA VAL A 50 2.614 -1.219 6.250 1.00 0.00 H new ATOM 0 HB VAL A 50 0.206 -1.533 6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.621 -0.592 4.538 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.924 0.140 5.032 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.891 -1.086 3.741 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.161 -2.907 5.148 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.322 -3.514 4.373 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.007 -3.890 6.081 1.00 0.00 H new ATOM 420 N TYR A 51 2.273 -2.735 8.293 1.00 0.00 N ATOM 421 CA TYR A 51 2.424 -3.631 9.426 1.00 0.00 C ATOM 422 C TYR A 51 1.060 -4.032 9.960 1.00 0.00 C ATOM 423 O TYR A 51 0.275 -3.185 10.388 1.00 0.00 O ATOM 424 CB TYR A 51 3.241 -2.975 10.545 1.00 0.00 C ATOM 425 CG TYR A 51 3.661 -3.945 11.632 1.00 0.00 C ATOM 426 CD1 TYR A 51 2.810 -4.256 12.685 1.00 0.00 C ATOM 427 CD2 TYR A 51 4.910 -4.551 11.603 1.00 0.00 C ATOM 428 CE1 TYR A 51 3.191 -5.144 13.674 1.00 0.00 C ATOM 429 CE2 TYR A 51 5.297 -5.439 12.586 1.00 0.00 C ATOM 430 CZ TYR A 51 4.436 -5.732 13.620 1.00 0.00 C ATOM 431 OH TYR A 51 4.824 -6.617 14.601 1.00 0.00 O ATOM 0 H TYR A 51 2.155 -1.753 8.542 1.00 0.00 H new ATOM 0 HA TYR A 51 2.957 -4.518 9.084 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.131 -2.516 10.114 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.653 -2.173 10.991 1.00 0.00 H new ATOM 0 HD1 TYR A 51 1.834 -3.796 12.732 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.591 -4.323 10.796 1.00 0.00 H new ATOM 0 HE1 TYR A 51 2.516 -5.376 14.485 1.00 0.00 H new ATOM 0 HE2 TYR A 51 6.272 -5.902 12.544 1.00 0.00 H new ATOM 0 HH TYR A 51 5.729 -6.940 14.411 1.00 0.00 H new ATOM 441 N LEU A 52 0.785 -5.323 9.926 1.00 0.00 N ATOM 442 CA LEU A 52 -0.448 -5.853 10.475 1.00 0.00 C ATOM 443 C LEU A 52 -0.125 -6.749 11.664 1.00 0.00 C ATOM 444 O LEU A 52 1.030 -6.827 12.082 1.00 0.00 O ATOM 445 CB LEU A 52 -1.226 -6.627 9.403 1.00 0.00 C ATOM 446 CG LEU A 52 -1.586 -5.829 8.146 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.395 -6.687 7.193 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.358 -4.563 8.498 1.00 0.00 C ATOM 0 H LEU A 52 1.403 -6.027 9.522 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.077 -5.029 10.811 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.636 -7.494 9.106 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.146 -7.005 9.848 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.657 -5.534 7.658 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.644 -6.108 6.304 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.811 -7.561 6.905 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.313 -7.010 7.684 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.599 -4.018 7.585 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.280 -4.831 9.015 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.748 -3.933 9.146 1.00 0.00 H new ATOM 460 N LYS A 53 -1.144 -7.424 12.187 1.00 0.00 N ATOM 461 CA LYS A 53 -1.008 -8.279 13.369 1.00 0.00 C ATOM 462 C LYS A 53 0.214 -9.198 13.291 1.00 0.00 C ATOM 463 O LYS A 53 0.973 -9.315 14.256 1.00 0.00 O ATOM 464 CB LYS A 53 -2.276 -9.122 13.537 1.00 0.00 C ATOM 465 CG LYS A 53 -2.192 -10.147 14.655 1.00 0.00 C ATOM 466 CD LYS A 53 -3.417 -11.041 14.669 1.00 0.00 C ATOM 467 CE LYS A 53 -3.293 -12.142 15.704 1.00 0.00 C ATOM 468 NZ LYS A 53 -4.473 -13.045 15.683 1.00 0.00 N ATOM 0 H LYS A 53 -2.090 -7.396 11.805 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.867 -7.626 14.230 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.119 -8.458 13.729 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.484 -9.638 12.600 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.296 -10.755 14.529 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.099 -9.637 15.614 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -4.303 -10.442 14.879 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.557 -11.483 13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.388 -12.720 15.515 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.189 -11.701 16.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -4.356 -13.786 16.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -5.333 -12.497 15.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.557 -13.484 14.744 1.00 0.00 H new ATOM 481 N ASP A 54 0.417 -9.827 12.138 1.00 0.00 N ATOM 482 CA ASP A 54 1.468 -10.832 12.001 1.00 0.00 C ATOM 483 C ASP A 54 2.715 -10.251 11.324 1.00 0.00 C ATOM 484 O ASP A 54 3.567 -10.985 10.828 1.00 0.00 O ATOM 485 CB ASP A 54 0.952 -12.046 11.219 1.00 0.00 C ATOM 486 CG ASP A 54 1.609 -13.348 11.654 1.00 0.00 C ATOM 487 OD1 ASP A 54 2.722 -13.653 11.180 1.00 0.00 O ATOM 488 OD2 ASP A 54 1.009 -14.075 12.477 1.00 0.00 O ATOM 0 H ASP A 54 -0.127 -9.662 11.291 1.00 0.00 H new ATOM 0 HA ASP A 54 1.752 -11.154 13.003 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.127 -12.126 11.351 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.132 -11.891 10.155 1.00 0.00 H new ATOM 493 N GLY A 55 2.824 -8.930 11.296 1.00 0.00 N ATOM 494 CA GLY A 55 4.026 -8.312 10.768 1.00 0.00 C ATOM 495 C GLY A 55 3.797 -7.537 9.482 1.00 0.00 C ATOM 496 O GLY A 55 2.663 -7.188 9.149 1.00 0.00 O ATOM 0 H GLY A 55 2.110 -8.280 11.625 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.438 -7.639 11.519 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.773 -9.085 10.588 1.00 0.00 H new ATOM 500 N TRP A 56 4.883 -7.278 8.759 1.00 0.00 N ATOM 501 CA TRP A 56 4.836 -6.477 7.539 1.00 0.00 C ATOM 502 C TRP A 56 4.295 -7.283 6.366 1.00 0.00 C ATOM 503 O TRP A 56 4.588 -8.470 6.225 1.00 0.00 O ATOM 504 CB TRP A 56 6.227 -5.932 7.202 1.00 0.00 C ATOM 505 CG TRP A 56 6.730 -4.945 8.208 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.580 -5.190 9.250 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.404 -3.554 8.274 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.794 -4.035 9.959 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.086 -3.018 9.380 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.604 -2.712 7.504 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.986 -1.677 9.735 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.507 -1.381 7.859 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.196 -0.875 8.965 1.00 0.00 C ATOM 0 H TRP A 56 5.815 -7.615 9.000 1.00 0.00 H new ATOM 0 HA TRP A 56 4.159 -5.642 7.718 1.00 0.00 H new ATOM 0 HB2 TRP A 56 6.930 -6.763 7.134 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.197 -5.459 6.221 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.018 -6.150 9.481 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.386 -3.949 10.785 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.070 -3.093 6.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.515 -1.284 10.591 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.888 -0.719 7.272 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.101 0.171 9.215 1.00 0.00 H new ATOM 524 N HIS A 57 3.493 -6.631 5.536 1.00 0.00 N ATOM 525 CA HIS A 57 2.912 -7.266 4.362 1.00 0.00 C ATOM 526 C HIS A 57 2.870 -6.293 3.192 1.00 0.00 C ATOM 527 O HIS A 57 2.637 -5.099 3.376 1.00 0.00 O ATOM 528 CB HIS A 57 1.495 -7.760 4.663 1.00 0.00 C ATOM 529 CG HIS A 57 1.441 -9.006 5.493 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.611 -10.269 4.967 1.00 0.00 N ATOM 531 CD2 HIS A 57 1.215 -9.180 6.817 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.488 -11.165 5.928 1.00 0.00 C ATOM 533 NE2 HIS A 57 1.247 -10.530 7.060 1.00 0.00 N ATOM 0 H HIS A 57 3.228 -5.653 5.656 1.00 0.00 H new ATOM 0 HA HIS A 57 3.539 -8.117 4.097 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.949 -6.970 5.178 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.978 -7.942 3.721 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.802 -10.478 3.987 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.042 -8.402 7.545 1.00 0.00 H new ATOM 0 HE1 HIS A 57 1.570 -12.235 5.809 1.00 0.00 H new ATOM 541 N MET A 58 3.083 -6.817 1.994 1.00 0.00 N ATOM 542 CA MET A 58 3.062 -6.005 0.782 1.00 0.00 C ATOM 543 C MET A 58 1.626 -5.772 0.337 1.00 0.00 C ATOM 544 O MET A 58 0.873 -6.727 0.153 1.00 0.00 O ATOM 545 CB MET A 58 3.835 -6.698 -0.342 1.00 0.00 C ATOM 546 CG MET A 58 5.287 -7.000 -0.006 1.00 0.00 C ATOM 547 SD MET A 58 6.115 -7.926 -1.316 1.00 0.00 S ATOM 548 CE MET A 58 5.943 -6.789 -2.690 1.00 0.00 C ATOM 0 H MET A 58 3.273 -7.806 1.833 1.00 0.00 H new ATOM 0 HA MET A 58 3.536 -5.048 1.001 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.330 -7.631 -0.593 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.803 -6.069 -1.231 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.820 -6.065 0.167 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.332 -7.569 0.922 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.658 -7.050 -3.470 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.931 -6.852 -3.090 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.135 -5.772 -2.347 1.00 0.00 H new ATOM 558 N VAL A 59 1.244 -4.517 0.163 1.00 0.00 N ATOM 559 CA VAL A 59 -0.115 -4.199 -0.253 1.00 0.00 C ATOM 560 C VAL A 59 -0.294 -4.464 -1.742 1.00 0.00 C ATOM 561 O VAL A 59 0.456 -3.953 -2.576 1.00 0.00 O ATOM 562 CB VAL A 59 -0.496 -2.732 0.054 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.923 -2.439 -0.389 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.331 -2.429 1.537 1.00 0.00 C ATOM 0 H VAL A 59 1.849 -3.707 0.302 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.778 -4.846 0.321 1.00 0.00 H new ATOM 0 HB VAL A 59 0.179 -2.086 -0.508 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.168 -1.401 -0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.013 -2.607 -1.462 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.611 -3.098 0.140 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.605 -1.392 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -0.977 -3.088 2.117 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.707 -2.590 1.828 1.00 0.00 H new ATOM 574 N CYS A 60 -1.281 -5.282 -2.069 1.00 0.00 N ATOM 575 CA CYS A 60 -1.584 -5.595 -3.453 1.00 0.00 C ATOM 576 C CYS A 60 -2.625 -4.614 -3.982 1.00 0.00 C ATOM 577 O CYS A 60 -3.608 -4.322 -3.300 1.00 0.00 O ATOM 578 CB CYS A 60 -2.107 -7.029 -3.561 1.00 0.00 C ATOM 579 SG CYS A 60 -2.017 -7.723 -5.237 1.00 0.00 S ATOM 0 H CYS A 60 -1.888 -5.742 -1.390 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.676 -5.508 -4.050 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.536 -7.665 -2.884 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -3.143 -7.053 -3.224 1.00 0.00 H new ATOM 584 N SER A 61 -2.411 -4.113 -5.194 1.00 0.00 N ATOM 585 CA SER A 61 -3.307 -3.123 -5.786 1.00 0.00 C ATOM 586 C SER A 61 -4.656 -3.740 -6.140 1.00 0.00 C ATOM 587 O SER A 61 -5.600 -3.038 -6.498 1.00 0.00 O ATOM 588 CB SER A 61 -2.663 -2.517 -7.033 1.00 0.00 C ATOM 589 OG SER A 61 -2.431 -3.506 -8.019 1.00 0.00 O ATOM 0 H SER A 61 -1.624 -4.376 -5.787 1.00 0.00 H new ATOM 0 HA SER A 61 -3.479 -2.337 -5.050 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.310 -1.739 -7.439 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.721 -2.039 -6.764 1.00 0.00 H new ATOM 0 HG SER A 61 -3.056 -3.379 -8.763 1.00 0.00 H new ATOM 595 N GLN A 62 -4.742 -5.060 -6.038 1.00 0.00 N ATOM 596 CA GLN A 62 -5.987 -5.767 -6.294 1.00 0.00 C ATOM 597 C GLN A 62 -6.939 -5.637 -5.108 1.00 0.00 C ATOM 598 O GLN A 62 -8.097 -6.042 -5.186 1.00 0.00 O ATOM 599 CB GLN A 62 -5.720 -7.246 -6.580 1.00 0.00 C ATOM 600 CG GLN A 62 -4.773 -7.499 -7.744 1.00 0.00 C ATOM 601 CD GLN A 62 -5.305 -7.003 -9.081 1.00 0.00 C ATOM 602 OE1 GLN A 62 -6.033 -6.016 -9.157 1.00 0.00 O ATOM 603 NE2 GLN A 62 -4.946 -7.697 -10.149 1.00 0.00 N ATOM 0 H GLN A 62 -3.961 -5.663 -5.779 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.452 -5.315 -7.170 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.306 -7.708 -5.684 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.669 -7.741 -6.785 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.820 -7.012 -7.538 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.576 -8.569 -7.815 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.340 -8.511 -10.048 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.275 -7.418 -11.073 1.00 0.00 H new ATOM 612 N SER A 63 -6.446 -5.068 -4.017 1.00 0.00 N ATOM 613 CA SER A 63 -7.248 -4.893 -2.822 1.00 0.00 C ATOM 614 C SER A 63 -8.370 -3.897 -3.066 1.00 0.00 C ATOM 615 O SER A 63 -8.244 -3.000 -3.906 1.00 0.00 O ATOM 616 CB SER A 63 -6.369 -4.409 -1.664 1.00 0.00 C ATOM 617 OG SER A 63 -5.329 -5.334 -1.395 1.00 0.00 O ATOM 0 H SER A 63 -5.491 -4.720 -3.938 1.00 0.00 H new ATOM 0 HA SER A 63 -7.688 -5.856 -2.563 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.941 -3.437 -1.909 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.980 -4.273 -0.771 1.00 0.00 H new ATOM 0 HG SER A 63 -4.571 -5.156 -1.990 1.00 0.00 H new ATOM 623 N TRP A 64 -9.469 -4.093 -2.343 1.00 0.00 N ATOM 624 CA TRP A 64 -10.603 -3.167 -2.317 1.00 0.00 C ATOM 625 C TRP A 64 -11.417 -3.220 -3.609 1.00 0.00 C ATOM 626 O TRP A 64 -12.629 -3.429 -3.566 1.00 0.00 O ATOM 627 CB TRP A 64 -10.132 -1.736 -2.013 1.00 0.00 C ATOM 628 CG TRP A 64 -9.236 -1.664 -0.810 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.483 -2.179 0.431 1.00 0.00 C ATOM 630 CD2 TRP A 64 -7.941 -1.052 -0.739 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.422 -1.926 1.266 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.466 -1.235 0.573 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.137 -0.365 -1.656 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.227 -0.759 0.987 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.906 0.107 -1.241 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.462 -0.092 0.069 1.00 0.00 C ATOM 0 H TRP A 64 -9.601 -4.911 -1.749 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.266 -3.486 -1.513 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.602 -1.340 -2.880 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.001 -1.098 -1.852 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.381 -2.708 0.714 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.357 -2.208 2.244 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.473 -0.206 -2.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.880 -0.910 1.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.277 0.638 -1.940 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.495 0.289 0.363 1.00 0.00 H new ATOM 647 N GLY A 65 -10.767 -3.049 -4.750 1.00 0.00 N ATOM 648 CA GLY A 65 -11.489 -3.090 -6.005 1.00 0.00 C ATOM 649 C GLY A 65 -10.613 -3.365 -7.212 1.00 0.00 C ATOM 650 O GLY A 65 -10.800 -2.734 -8.251 1.00 0.00 O ATOM 0 H GLY A 65 -9.764 -2.884 -4.830 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.259 -3.860 -5.945 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.000 -2.138 -6.149 1.00 0.00 H new ATOM 654 N ARG A 66 -9.665 -4.303 -7.068 1.00 0.00 N ATOM 655 CA ARG A 66 -8.783 -4.743 -8.168 1.00 0.00 C ATOM 656 C ARG A 66 -8.357 -3.601 -9.091 1.00 0.00 C ATOM 657 O ARG A 66 -8.956 -3.389 -10.148 1.00 0.00 O ATOM 658 CB ARG A 66 -9.454 -5.842 -8.996 1.00 0.00 C ATOM 659 CG ARG A 66 -9.125 -7.255 -8.536 1.00 0.00 C ATOM 660 CD ARG A 66 -9.751 -7.581 -7.191 1.00 0.00 C ATOM 661 NE ARG A 66 -11.206 -7.649 -7.262 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.946 -8.409 -6.466 1.00 0.00 C ATOM 663 NH1 ARG A 66 -11.373 -9.144 -5.521 1.00 0.00 N ATOM 664 NH2 ARG A 66 -13.258 -8.436 -6.603 1.00 0.00 N ATOM 0 H ARG A 66 -9.485 -4.781 -6.185 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.883 -5.132 -7.692 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -10.534 -5.702 -8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -9.154 -5.731 -10.038 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.476 -7.969 -9.281 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -8.043 -7.371 -8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.362 -8.534 -6.832 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.460 -6.823 -6.463 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.681 -7.080 -7.963 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.360 -9.126 -5.405 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.946 -9.727 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.707 -7.871 -7.323 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.823 -9.022 -5.988 1.00 0.00 H new ATOM 677 N SER A 67 -7.319 -2.881 -8.702 1.00 0.00 N ATOM 678 CA SER A 67 -6.826 -1.771 -9.499 1.00 0.00 C ATOM 679 C SER A 67 -5.560 -2.159 -10.260 1.00 0.00 C ATOM 680 O SER A 67 -4.504 -2.380 -9.663 1.00 0.00 O ATOM 681 CB SER A 67 -6.548 -0.566 -8.601 1.00 0.00 C ATOM 682 OG SER A 67 -7.710 -0.193 -7.878 1.00 0.00 O ATOM 0 H SER A 67 -6.801 -3.045 -7.839 1.00 0.00 H new ATOM 0 HA SER A 67 -7.593 -1.509 -10.228 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.743 -0.804 -7.905 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.207 0.273 -9.207 1.00 0.00 H new ATOM 0 HG SER A 67 -7.489 -0.102 -6.928 1.00 0.00 H new ATOM 688 N SER A 68 -5.675 -2.263 -11.576 1.00 0.00 N ATOM 689 CA SER A 68 -4.510 -2.477 -12.422 1.00 0.00 C ATOM 690 C SER A 68 -4.049 -1.140 -12.989 1.00 0.00 C ATOM 691 O SER A 68 -2.955 -1.020 -13.539 1.00 0.00 O ATOM 692 CB SER A 68 -4.834 -3.466 -13.547 1.00 0.00 C ATOM 693 OG SER A 68 -5.872 -2.978 -14.381 1.00 0.00 O ATOM 0 H SER A 68 -6.560 -2.203 -12.080 1.00 0.00 H new ATOM 0 HA SER A 68 -3.705 -2.907 -11.826 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.940 -3.646 -14.144 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.129 -4.424 -13.118 1.00 0.00 H new ATOM 0 HG SER A 68 -6.055 -3.629 -15.090 1.00 0.00 H new ATOM 699 N LYS A 69 -4.901 -0.138 -12.834 1.00 0.00 N ATOM 700 CA LYS A 69 -4.598 1.211 -13.280 1.00 0.00 C ATOM 701 C LYS A 69 -4.212 2.084 -12.095 1.00 0.00 C ATOM 702 O LYS A 69 -4.429 1.717 -10.939 1.00 0.00 O ATOM 703 CB LYS A 69 -5.801 1.822 -14.007 1.00 0.00 C ATOM 704 CG LYS A 69 -6.083 1.201 -15.367 1.00 0.00 C ATOM 705 CD LYS A 69 -7.257 1.877 -16.062 1.00 0.00 C ATOM 706 CE LYS A 69 -7.003 3.362 -16.300 1.00 0.00 C ATOM 707 NZ LYS A 69 -5.812 3.596 -17.163 1.00 0.00 N ATOM 0 H LYS A 69 -5.817 -0.237 -12.397 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.759 1.161 -13.974 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.685 1.714 -13.379 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -5.630 2.891 -14.135 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.195 1.279 -15.994 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.295 0.139 -15.245 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.446 1.384 -17.016 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.155 1.755 -15.457 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -7.881 3.809 -16.766 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -6.860 3.863 -15.342 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -5.755 4.605 -17.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -4.952 3.316 -16.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.897 3.031 -18.032 1.00 0.00 H new ATOM 720 N GLN A 70 -3.641 3.234 -12.396 1.00 0.00 N ATOM 721 CA GLN A 70 -3.218 4.181 -11.382 1.00 0.00 C ATOM 722 C GLN A 70 -4.344 5.167 -11.087 1.00 0.00 C ATOM 723 O GLN A 70 -5.170 5.456 -11.954 1.00 0.00 O ATOM 724 CB GLN A 70 -1.948 4.928 -11.835 1.00 0.00 C ATOM 725 CG GLN A 70 -2.099 5.724 -13.133 1.00 0.00 C ATOM 726 CD GLN A 70 -2.198 4.852 -14.373 1.00 0.00 C ATOM 727 OE1 GLN A 70 -3.295 4.468 -14.792 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.062 4.524 -14.965 1.00 0.00 N ATOM 0 H GLN A 70 -3.457 3.539 -13.352 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.983 3.635 -10.469 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.642 5.609 -11.041 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.143 4.204 -11.961 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.990 6.348 -13.065 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.247 6.396 -13.239 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -0.175 4.861 -14.589 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.072 3.934 -15.797 1.00 0.00 H new ATOM 737 N TRP A 71 -4.379 5.668 -9.860 1.00 0.00 N ATOM 738 CA TRP A 71 -5.419 6.599 -9.435 1.00 0.00 C ATOM 739 C TRP A 71 -4.925 8.041 -9.538 1.00 0.00 C ATOM 740 O TRP A 71 -3.767 8.334 -9.233 1.00 0.00 O ATOM 741 CB TRP A 71 -5.854 6.294 -7.997 1.00 0.00 C ATOM 742 CG TRP A 71 -6.651 5.029 -7.866 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.174 3.748 -7.860 1.00 0.00 C ATOM 744 CD2 TRP A 71 -8.073 4.928 -7.719 1.00 0.00 C ATOM 745 NE1 TRP A 71 -7.214 2.859 -7.725 1.00 0.00 N ATOM 746 CE2 TRP A 71 -8.388 3.560 -7.636 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.112 5.862 -7.654 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -9.696 3.106 -7.486 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.409 5.408 -7.506 1.00 0.00 C ATOM 750 CH2 TRP A 71 -10.690 4.042 -7.427 1.00 0.00 C ATOM 0 H TRP A 71 -3.696 5.445 -9.137 1.00 0.00 H new ATOM 0 HA TRP A 71 -6.277 6.477 -10.096 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.968 6.223 -7.366 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -6.447 7.128 -7.621 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.133 3.474 -7.948 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -7.126 1.843 -7.696 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -8.904 6.920 -7.718 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.917 2.051 -7.419 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.218 6.121 -7.451 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.715 3.719 -7.317 1.00 0.00 H new ATOM 761 N GLU A 72 -5.807 8.934 -9.986 1.00 0.00 N ATOM 762 CA GLU A 72 -5.463 10.346 -10.167 1.00 0.00 C ATOM 763 C GLU A 72 -5.507 11.114 -8.846 1.00 0.00 C ATOM 764 O GLU A 72 -4.923 12.195 -8.728 1.00 0.00 O ATOM 765 CB GLU A 72 -6.412 11.013 -11.173 1.00 0.00 C ATOM 766 CG GLU A 72 -6.120 10.695 -12.633 1.00 0.00 C ATOM 767 CD GLU A 72 -6.277 9.227 -12.975 1.00 0.00 C ATOM 768 OE1 GLU A 72 -7.420 8.724 -12.950 1.00 0.00 O ATOM 769 OE2 GLU A 72 -5.256 8.572 -13.272 1.00 0.00 O ATOM 0 H GLU A 72 -6.770 8.704 -10.232 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.444 10.378 -10.551 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.433 10.707 -10.946 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.365 12.093 -11.034 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -6.788 11.281 -13.265 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.103 11.008 -12.868 1.00 0.00 H new ATOM 776 N ASP A 73 -6.193 10.559 -7.857 1.00 0.00 N ATOM 777 CA ASP A 73 -6.345 11.229 -6.571 1.00 0.00 C ATOM 778 C ASP A 73 -5.912 10.310 -5.433 1.00 0.00 C ATOM 779 O ASP A 73 -6.712 9.539 -4.906 1.00 0.00 O ATOM 780 CB ASP A 73 -7.798 11.669 -6.367 1.00 0.00 C ATOM 781 CG ASP A 73 -7.984 12.575 -5.159 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.083 12.645 -4.296 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.049 13.222 -5.062 1.00 0.00 O ATOM 0 H ASP A 73 -6.652 9.650 -7.919 1.00 0.00 H new ATOM 0 HA ASP A 73 -5.706 12.112 -6.568 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.142 12.190 -7.260 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.426 10.786 -6.251 1.00 0.00 H new ATOM 788 N PRO A 74 -4.627 10.365 -5.057 1.00 0.00 N ATOM 789 CA PRO A 74 -4.085 9.587 -3.954 1.00 0.00 C ATOM 790 C PRO A 74 -4.027 10.385 -2.654 1.00 0.00 C ATOM 791 O PRO A 74 -3.317 10.014 -1.720 1.00 0.00 O ATOM 792 CB PRO A 74 -2.675 9.299 -4.452 1.00 0.00 C ATOM 793 CG PRO A 74 -2.292 10.523 -5.219 1.00 0.00 C ATOM 794 CD PRO A 74 -3.573 11.171 -5.698 1.00 0.00 C ATOM 0 HA PRO A 74 -4.684 8.707 -3.717 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.990 9.119 -3.623 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.651 8.411 -5.084 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.726 11.210 -4.590 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -1.653 10.264 -6.063 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -3.630 12.217 -5.398 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.654 11.146 -6.785 1.00 0.00 H new ATOM 802 N SER A 75 -4.791 11.470 -2.593 1.00 0.00 N ATOM 803 CA SER A 75 -4.688 12.429 -1.497 1.00 0.00 C ATOM 804 C SER A 75 -5.235 11.873 -0.178 1.00 0.00 C ATOM 805 O SER A 75 -5.195 12.547 0.847 1.00 0.00 O ATOM 806 CB SER A 75 -5.415 13.719 -1.871 1.00 0.00 C ATOM 807 OG SER A 75 -5.056 14.132 -3.184 1.00 0.00 O ATOM 0 H SER A 75 -5.493 11.709 -3.294 1.00 0.00 H new ATOM 0 HA SER A 75 -3.629 12.634 -1.339 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.493 13.565 -1.814 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.166 14.503 -1.156 1.00 0.00 H new ATOM 0 HG SER A 75 -5.661 13.718 -3.834 1.00 0.00 H new ATOM 813 N GLN A 76 -5.742 10.649 -0.203 1.00 0.00 N ATOM 814 CA GLN A 76 -6.181 9.987 1.021 1.00 0.00 C ATOM 815 C GLN A 76 -5.038 9.192 1.637 1.00 0.00 C ATOM 816 O GLN A 76 -5.150 8.666 2.742 1.00 0.00 O ATOM 817 CB GLN A 76 -7.375 9.074 0.743 1.00 0.00 C ATOM 818 CG GLN A 76 -8.670 9.833 0.516 1.00 0.00 C ATOM 819 CD GLN A 76 -9.078 10.645 1.731 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.696 11.805 1.879 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.859 10.038 2.605 1.00 0.00 N ATOM 0 H GLN A 76 -5.860 10.095 -1.051 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.492 10.754 1.730 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -7.161 8.464 -0.134 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.505 8.391 1.582 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.555 10.497 -0.341 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.464 9.128 0.269 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -10.153 9.075 2.444 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.169 10.532 3.442 1.00 0.00 H new ATOM 830 N ALA A 77 -3.925 9.133 0.921 1.00 0.00 N ATOM 831 CA ALA A 77 -2.762 8.382 1.369 1.00 0.00 C ATOM 832 C ALA A 77 -1.729 9.306 2.002 1.00 0.00 C ATOM 833 O ALA A 77 -0.598 8.899 2.269 1.00 0.00 O ATOM 834 CB ALA A 77 -2.149 7.617 0.207 1.00 0.00 C ATOM 0 H ALA A 77 -3.803 9.599 0.022 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.087 7.668 2.126 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.280 7.060 0.556 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.885 6.924 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.842 8.318 -0.569 1.00 0.00 H new ATOM 840 N SER A 78 -2.133 10.552 2.243 1.00 0.00 N ATOM 841 CA SER A 78 -1.257 11.551 2.848 1.00 0.00 C ATOM 842 C SER A 78 -0.705 11.069 4.190 1.00 0.00 C ATOM 843 O SER A 78 0.426 11.387 4.555 1.00 0.00 O ATOM 844 CB SER A 78 -2.023 12.859 3.042 1.00 0.00 C ATOM 845 OG SER A 78 -2.655 13.254 1.839 1.00 0.00 O ATOM 0 H SER A 78 -3.069 10.895 2.026 1.00 0.00 H new ATOM 0 HA SER A 78 -0.414 11.714 2.176 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.769 12.736 3.827 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.339 13.641 3.373 1.00 0.00 H new ATOM 0 HG SER A 78 -3.539 12.835 1.781 1.00 0.00 H new ATOM 851 N LYS A 79 -1.505 10.287 4.910 1.00 0.00 N ATOM 852 CA LYS A 79 -1.099 9.773 6.210 1.00 0.00 C ATOM 853 C LYS A 79 0.047 8.781 6.073 1.00 0.00 C ATOM 854 O LYS A 79 0.909 8.704 6.944 1.00 0.00 O ATOM 855 CB LYS A 79 -2.282 9.131 6.930 1.00 0.00 C ATOM 856 CG LYS A 79 -3.341 10.131 7.354 1.00 0.00 C ATOM 857 CD LYS A 79 -2.778 11.151 8.329 1.00 0.00 C ATOM 858 CE LYS A 79 -3.813 12.199 8.706 1.00 0.00 C ATOM 859 NZ LYS A 79 -4.287 12.969 7.523 1.00 0.00 N ATOM 0 H LYS A 79 -2.437 9.997 4.613 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.747 10.614 6.808 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.736 8.387 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.919 8.602 7.811 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.734 10.643 6.475 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -4.176 9.605 7.816 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -2.431 10.642 9.228 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.911 11.639 7.885 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -4.663 11.713 9.186 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -3.384 12.885 9.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.490 13.949 7.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.551 12.965 6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -5.152 12.531 7.148 1.00 0.00 H new ATOM 872 N VAL A 80 0.073 8.041 4.970 1.00 0.00 N ATOM 873 CA VAL A 80 1.171 7.122 4.710 1.00 0.00 C ATOM 874 C VAL A 80 2.454 7.912 4.516 1.00 0.00 C ATOM 875 O VAL A 80 3.478 7.617 5.131 1.00 0.00 O ATOM 876 CB VAL A 80 0.917 6.240 3.468 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.140 5.391 3.151 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.304 5.355 3.678 1.00 0.00 C ATOM 0 H VAL A 80 -0.648 8.060 4.248 1.00 0.00 H new ATOM 0 HA VAL A 80 1.256 6.459 5.571 1.00 0.00 H new ATOM 0 HB VAL A 80 0.725 6.897 2.619 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.939 4.777 2.273 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.992 6.041 2.953 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.365 4.746 4.000 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.466 4.742 2.792 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.141 4.710 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.180 5.979 3.852 1.00 0.00 H new ATOM 888 N CYS A 81 2.377 8.939 3.677 1.00 0.00 N ATOM 889 CA CYS A 81 3.507 9.828 3.448 1.00 0.00 C ATOM 890 C CYS A 81 3.941 10.476 4.761 1.00 0.00 C ATOM 891 O CYS A 81 5.129 10.648 5.015 1.00 0.00 O ATOM 892 CB CYS A 81 3.134 10.908 2.430 1.00 0.00 C ATOM 893 SG CYS A 81 2.380 10.263 0.903 1.00 0.00 S ATOM 0 H CYS A 81 1.541 9.176 3.143 1.00 0.00 H new ATOM 0 HA CYS A 81 4.336 9.242 3.051 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.441 11.608 2.897 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.030 11.472 2.170 1.00 0.00 H new ATOM 898 N GLN A 82 2.962 10.808 5.596 1.00 0.00 N ATOM 899 CA GLN A 82 3.213 11.412 6.900 1.00 0.00 C ATOM 900 C GLN A 82 4.044 10.463 7.767 1.00 0.00 C ATOM 901 O GLN A 82 5.027 10.871 8.376 1.00 0.00 O ATOM 902 CB GLN A 82 1.871 11.742 7.575 1.00 0.00 C ATOM 903 CG GLN A 82 1.920 12.804 8.673 1.00 0.00 C ATOM 904 CD GLN A 82 2.547 12.324 9.971 1.00 0.00 C ATOM 905 OE1 GLN A 82 1.872 11.735 10.817 1.00 0.00 O ATOM 906 NE2 GLN A 82 3.826 12.608 10.158 1.00 0.00 N ATOM 0 H GLN A 82 1.973 10.666 5.388 1.00 0.00 H new ATOM 0 HA GLN A 82 3.778 12.335 6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.172 12.073 6.807 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.465 10.825 8.001 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.481 13.664 8.307 1.00 0.00 H new ATOM 0 HG3 GLN A 82 0.906 13.148 8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.351 13.097 9.433 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.287 12.338 11.027 1.00 0.00 H new ATOM 915 N ARG A 83 3.676 9.185 7.784 1.00 0.00 N ATOM 916 CA ARG A 83 4.391 8.205 8.605 1.00 0.00 C ATOM 917 C ARG A 83 5.815 7.998 8.086 1.00 0.00 C ATOM 918 O ARG A 83 6.695 7.564 8.827 1.00 0.00 O ATOM 919 CB ARG A 83 3.648 6.863 8.653 1.00 0.00 C ATOM 920 CG ARG A 83 2.182 6.967 9.061 1.00 0.00 C ATOM 921 CD ARG A 83 1.987 7.678 10.394 1.00 0.00 C ATOM 922 NE ARG A 83 2.447 6.882 11.530 1.00 0.00 N ATOM 923 CZ ARG A 83 2.325 7.271 12.795 1.00 0.00 C ATOM 924 NH1 ARG A 83 1.817 8.465 13.068 1.00 0.00 N ATOM 925 NH2 ARG A 83 2.709 6.479 13.786 1.00 0.00 N ATOM 0 H ARG A 83 2.897 8.804 7.247 1.00 0.00 H new ATOM 0 HA ARG A 83 4.439 8.603 9.619 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.706 6.394 7.671 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.161 6.203 9.352 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.631 7.501 8.286 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.755 5.966 9.123 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.525 8.626 10.378 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.931 7.914 10.524 1.00 0.00 H new ATOM 0 HE ARG A 83 2.885 5.980 11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.522 9.079 12.309 1.00 0.00 H new ATOM 0 HH12 ARG A 83 1.721 8.769 14.037 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.103 5.561 13.582 1.00 0.00 H new ATOM 0 HH22 ARG A 83 2.611 6.788 14.753 1.00 0.00 H new ATOM 938 N LEU A 84 6.034 8.308 6.812 1.00 0.00 N ATOM 939 CA LEU A 84 7.370 8.256 6.221 1.00 0.00 C ATOM 940 C LEU A 84 8.050 9.625 6.294 1.00 0.00 C ATOM 941 O LEU A 84 9.189 9.790 5.850 1.00 0.00 O ATOM 942 CB LEU A 84 7.308 7.791 4.758 1.00 0.00 C ATOM 943 CG LEU A 84 7.290 6.276 4.523 1.00 0.00 C ATOM 944 CD1 LEU A 84 8.545 5.630 5.086 1.00 0.00 C ATOM 945 CD2 LEU A 84 6.044 5.640 5.121 1.00 0.00 C ATOM 0 H LEU A 84 5.301 8.599 6.165 1.00 0.00 H new ATOM 0 HA LEU A 84 7.955 7.537 6.794 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.415 8.218 4.302 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.166 8.208 4.231 1.00 0.00 H new ATOM 0 HG LEU A 84 7.268 6.106 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.512 4.555 4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.423 6.052 4.596 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.602 5.819 6.158 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.060 4.566 4.938 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.021 5.825 6.195 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.157 6.073 4.659 1.00 0.00 H new ATOM 957 N ASN A 85 7.335 10.591 6.872 1.00 0.00 N ATOM 958 CA ASN A 85 7.797 11.974 7.003 1.00 0.00 C ATOM 959 C ASN A 85 8.089 12.586 5.632 1.00 0.00 C ATOM 960 O ASN A 85 9.087 13.283 5.433 1.00 0.00 O ATOM 961 CB ASN A 85 9.026 12.066 7.914 1.00 0.00 C ATOM 962 CG ASN A 85 9.309 13.494 8.345 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.391 14.305 8.475 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.571 13.809 8.577 1.00 0.00 N ATOM 0 H ASN A 85 6.408 10.434 7.267 1.00 0.00 H new ATOM 0 HA ASN A 85 6.995 12.548 7.467 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.871 11.445 8.796 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.895 11.666 7.392 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.814 14.753 8.876 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.302 13.108 8.458 1.00 0.00 H new ATOM 971 N CYS A 86 7.203 12.317 4.689 1.00 0.00 N ATOM 972 CA CYS A 86 7.313 12.864 3.350 1.00 0.00 C ATOM 973 C CYS A 86 6.156 13.818 3.090 1.00 0.00 C ATOM 974 O CYS A 86 5.233 13.913 3.900 1.00 0.00 O ATOM 975 CB CYS A 86 7.322 11.739 2.311 1.00 0.00 C ATOM 976 SG CYS A 86 8.691 10.550 2.512 1.00 0.00 S ATOM 0 H CYS A 86 6.391 11.716 4.830 1.00 0.00 H new ATOM 0 HA CYS A 86 8.251 13.412 3.267 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.376 11.200 2.366 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.380 12.179 1.315 1.00 0.00 H new ATOM 981 N GLY A 87 6.203 14.513 1.968 1.00 0.00 N ATOM 982 CA GLY A 87 5.173 15.477 1.655 1.00 0.00 C ATOM 983 C GLY A 87 3.920 14.843 1.083 1.00 0.00 C ATOM 984 O GLY A 87 3.726 13.629 1.172 1.00 0.00 O ATOM 0 H GLY A 87 6.938 14.427 1.266 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.914 16.029 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.566 16.201 0.941 1.00 0.00 H new ATOM 988 N ASP A 88 3.082 15.678 0.489 1.00 0.00 N ATOM 989 CA ASP A 88 1.789 15.258 -0.045 1.00 0.00 C ATOM 990 C ASP A 88 1.936 14.162 -1.102 1.00 0.00 C ATOM 991 O ASP A 88 2.938 14.100 -1.820 1.00 0.00 O ATOM 992 CB ASP A 88 1.070 16.464 -0.651 1.00 0.00 C ATOM 993 CG ASP A 88 0.902 17.595 0.345 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.901 18.280 0.648 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.226 17.796 0.841 1.00 0.00 O ATOM 0 H ASP A 88 3.277 16.671 0.362 1.00 0.00 H new ATOM 0 HA ASP A 88 1.205 14.847 0.779 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.631 16.823 -1.514 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.090 16.155 -1.015 1.00 0.00 H new ATOM 1000 N PRO A 89 0.928 13.278 -1.197 1.00 0.00 N ATOM 1001 CA PRO A 89 0.927 12.168 -2.148 1.00 0.00 C ATOM 1002 C PRO A 89 0.613 12.622 -3.572 1.00 0.00 C ATOM 1003 O PRO A 89 -0.371 13.326 -3.819 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.172 11.249 -1.615 1.00 0.00 C ATOM 1005 CG PRO A 89 -1.114 12.152 -0.902 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.291 13.297 -0.372 1.00 0.00 C ATOM 0 HA PRO A 89 1.903 11.687 -2.219 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.671 10.718 -2.426 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.236 10.494 -0.943 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.891 12.512 -1.576 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.615 11.626 -0.090 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.821 14.245 -0.466 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -0.059 13.165 0.685 1.00 0.00 H new ATOM 1014 N LEU A 90 1.459 12.204 -4.500 1.00 0.00 N ATOM 1015 CA LEU A 90 1.357 12.611 -5.894 1.00 0.00 C ATOM 1016 C LEU A 90 0.648 11.556 -6.735 1.00 0.00 C ATOM 1017 O LEU A 90 -0.191 11.879 -7.575 1.00 0.00 O ATOM 1018 CB LEU A 90 2.755 12.855 -6.461 1.00 0.00 C ATOM 1019 CG LEU A 90 3.586 13.901 -5.718 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.984 13.983 -6.310 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.904 15.263 -5.756 1.00 0.00 C ATOM 0 H LEU A 90 2.237 11.572 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 90 0.770 13.529 -5.933 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.301 11.911 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.659 13.164 -7.502 1.00 0.00 H new ATOM 0 HG LEU A 90 3.669 13.596 -4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.564 14.732 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.473 13.013 -6.223 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.918 14.263 -7.361 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.514 15.991 -5.221 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.785 15.581 -6.792 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.925 15.193 -5.283 1.00 0.00 H new ATOM 1033 N SER A 91 0.988 10.293 -6.515 1.00 0.00 N ATOM 1034 CA SER A 91 0.437 9.211 -7.321 1.00 0.00 C ATOM 1035 C SER A 91 0.302 7.929 -6.506 1.00 0.00 C ATOM 1036 O SER A 91 1.082 7.681 -5.588 1.00 0.00 O ATOM 1037 CB SER A 91 1.322 8.959 -8.545 1.00 0.00 C ATOM 1038 OG SER A 91 1.453 10.133 -9.329 1.00 0.00 O ATOM 0 H SER A 91 1.639 9.993 -5.789 1.00 0.00 H new ATOM 0 HA SER A 91 -0.557 9.512 -7.651 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.307 8.621 -8.222 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.893 8.160 -9.150 1.00 0.00 H new ATOM 0 HG SER A 91 2.024 9.947 -10.104 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.700 7.130 -6.850 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.943 5.850 -6.195 1.00 0.00 C ATOM 1046 C LEU A 92 -1.384 4.823 -7.231 1.00 0.00 C ATOM 1047 O LEU A 92 -2.257 5.105 -8.054 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.030 5.995 -5.122 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.379 4.710 -4.359 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.296 4.358 -3.347 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.731 4.845 -3.669 1.00 0.00 C ATOM 0 H LEU A 92 -1.367 7.350 -7.590 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.020 5.519 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.708 6.748 -4.403 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.936 6.373 -5.596 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.439 3.898 -5.084 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.572 3.443 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.349 4.208 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.191 5.171 -2.628 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.960 3.924 -3.134 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.698 5.676 -2.964 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.503 5.033 -4.415 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.775 3.649 -7.207 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.163 2.605 -8.134 1.00 0.00 C ATOM 1065 C GLY A 93 -0.150 1.482 -8.189 1.00 0.00 C ATOM 1066 O GLY A 93 0.783 1.463 -7.387 1.00 0.00 O ATOM 0 H GLY A 93 -0.022 3.399 -6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.133 2.203 -7.840 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.283 3.032 -9.130 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.315 0.519 -9.111 1.00 0.00 N ATOM 1071 CA PRO A 94 0.650 -0.569 -9.300 1.00 0.00 C ATOM 1072 C PRO A 94 1.999 -0.036 -9.768 1.00 0.00 C ATOM 1073 O PRO A 94 2.189 0.254 -10.950 1.00 0.00 O ATOM 1074 CB PRO A 94 0.012 -1.447 -10.387 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.422 -1.047 -10.417 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.450 0.405 -10.038 1.00 0.00 C ATOM 0 HA PRO A 94 0.846 -1.112 -8.375 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.487 -1.284 -11.354 1.00 0.00 H new ATOM 0 HB3 PRO A 94 0.121 -2.506 -10.153 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.850 -1.201 -11.408 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.009 -1.644 -9.720 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.330 1.053 -10.907 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.391 0.681 -9.562 1.00 0.00 H new ATOM 1084 N PHE A 95 2.930 0.095 -8.837 1.00 0.00 N ATOM 1085 CA PHE A 95 4.213 0.715 -9.129 1.00 0.00 C ATOM 1086 C PHE A 95 5.202 -0.312 -9.665 1.00 0.00 C ATOM 1087 O PHE A 95 5.976 -0.022 -10.576 1.00 0.00 O ATOM 1088 CB PHE A 95 4.770 1.394 -7.872 1.00 0.00 C ATOM 1089 CG PHE A 95 6.006 2.214 -8.115 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.924 3.440 -8.760 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.251 1.762 -7.702 1.00 0.00 C ATOM 1092 CE1 PHE A 95 7.055 4.198 -8.988 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.386 2.516 -7.928 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.288 3.734 -8.571 1.00 0.00 C ATOM 0 H PHE A 95 2.822 -0.219 -7.873 1.00 0.00 H new ATOM 0 HA PHE A 95 4.063 1.472 -9.899 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.999 2.036 -7.447 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.994 0.630 -7.128 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.962 3.806 -9.088 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.334 0.810 -7.198 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.976 5.151 -9.491 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.350 2.153 -7.602 1.00 0.00 H new ATOM 0 HZ PHE A 95 9.175 4.324 -8.748 1.00 0.00 H new ATOM 1104 N LEU A 96 5.168 -1.510 -9.106 1.00 0.00 N ATOM 1105 CA LEU A 96 6.100 -2.555 -9.505 1.00 0.00 C ATOM 1106 C LEU A 96 5.365 -3.863 -9.767 1.00 0.00 C ATOM 1107 O LEU A 96 4.314 -4.131 -9.179 1.00 0.00 O ATOM 1108 CB LEU A 96 7.172 -2.763 -8.427 1.00 0.00 C ATOM 1109 CG LEU A 96 8.127 -1.582 -8.200 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.109 -1.900 -7.084 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.882 -1.232 -9.477 1.00 0.00 C ATOM 0 H LEU A 96 4.509 -1.784 -8.378 1.00 0.00 H new ATOM 0 HA LEU A 96 6.586 -2.238 -10.428 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.674 -2.990 -7.484 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.764 -3.639 -8.693 1.00 0.00 H new ATOM 0 HG LEU A 96 7.528 -0.719 -7.910 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.779 -1.053 -6.936 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.561 -2.095 -6.162 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.692 -2.781 -7.353 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.550 -0.392 -9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.465 -2.093 -9.803 1.00 0.00 H new ATOM 0 HD23 LEU A 96 8.171 -0.959 -10.257 1.00 0.00 H new ATOM 1123 N LYS A 97 5.917 -4.668 -10.662 1.00 0.00 N ATOM 1124 CA LYS A 97 5.335 -5.959 -10.992 1.00 0.00 C ATOM 1125 C LYS A 97 6.228 -7.073 -10.456 1.00 0.00 C ATOM 1126 O LYS A 97 7.072 -7.615 -11.171 1.00 0.00 O ATOM 1127 CB LYS A 97 5.148 -6.086 -12.509 1.00 0.00 C ATOM 1128 CG LYS A 97 4.429 -7.357 -12.931 1.00 0.00 C ATOM 1129 CD LYS A 97 4.296 -7.461 -14.445 1.00 0.00 C ATOM 1130 CE LYS A 97 3.335 -6.427 -15.008 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.147 -6.587 -16.476 1.00 0.00 N ATOM 0 H LYS A 97 6.771 -4.448 -11.175 1.00 0.00 H new ATOM 0 HA LYS A 97 4.354 -6.044 -10.525 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.587 -5.224 -12.871 1.00 0.00 H new ATOM 0 HB3 LYS A 97 6.125 -6.055 -12.991 1.00 0.00 H new ATOM 0 HG2 LYS A 97 4.973 -8.223 -12.554 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.438 -7.381 -12.477 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.276 -7.332 -14.904 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.949 -8.460 -14.710 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.371 -6.516 -14.507 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.713 -5.427 -14.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.485 -5.863 -16.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.062 -6.477 -16.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.762 -7.532 -16.676 1.00 0.00 H new ATOM 1144 N THR A 98 6.050 -7.388 -9.182 1.00 0.00 N ATOM 1145 CA THR A 98 6.909 -8.344 -8.496 1.00 0.00 C ATOM 1146 C THR A 98 6.388 -9.780 -8.621 1.00 0.00 C ATOM 1147 O THR A 98 7.181 -10.722 -8.660 1.00 0.00 O ATOM 1148 CB THR A 98 7.018 -7.970 -7.006 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.142 -6.549 -6.877 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.220 -8.639 -6.354 1.00 0.00 C ATOM 0 H THR A 98 5.313 -6.993 -8.598 1.00 0.00 H new ATOM 0 HA THR A 98 7.890 -8.301 -8.970 1.00 0.00 H new ATOM 0 HB THR A 98 6.116 -8.317 -6.503 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.090 -6.300 -6.894 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.269 -8.355 -5.303 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.121 -9.722 -6.433 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.132 -8.320 -6.859 1.00 0.00 H new ATOM 1158 N TYR A 99 5.066 -9.940 -8.696 1.00 0.00 N ATOM 1159 CA TYR A 99 4.441 -11.272 -8.750 1.00 0.00 C ATOM 1160 C TYR A 99 5.017 -12.207 -7.685 1.00 0.00 C ATOM 1161 O TYR A 99 5.689 -13.194 -8.007 1.00 0.00 O ATOM 1162 CB TYR A 99 4.620 -11.917 -10.130 1.00 0.00 C ATOM 1163 CG TYR A 99 3.718 -11.368 -11.214 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.359 -11.169 -10.991 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.222 -11.072 -12.474 1.00 0.00 C ATOM 1166 CE1 TYR A 99 1.535 -10.690 -11.991 1.00 0.00 C ATOM 1167 CE2 TYR A 99 3.403 -10.591 -13.476 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.062 -10.401 -13.229 1.00 0.00 C ATOM 1169 OH TYR A 99 1.244 -9.923 -14.228 1.00 0.00 O ATOM 0 H TYR A 99 4.403 -9.166 -8.721 1.00 0.00 H new ATOM 0 HA TYR A 99 3.378 -11.125 -8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.657 -11.790 -10.442 1.00 0.00 H new ATOM 0 HB3 TYR A 99 4.443 -12.989 -10.039 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.942 -11.393 -10.020 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.273 -11.221 -12.673 1.00 0.00 H new ATOM 0 HE1 TYR A 99 0.482 -10.543 -11.802 1.00 0.00 H new ATOM 0 HE2 TYR A 99 3.813 -10.365 -14.449 1.00 0.00 H new ATOM 0 HH TYR A 99 1.773 -9.769 -15.038 1.00 0.00 H new ATOM 1179 N THR A 100 4.778 -11.888 -6.425 1.00 0.00 N ATOM 1180 CA THR A 100 5.254 -12.715 -5.327 1.00 0.00 C ATOM 1181 C THR A 100 4.116 -13.013 -4.355 1.00 0.00 C ATOM 1182 O THR A 100 3.882 -12.266 -3.403 1.00 0.00 O ATOM 1183 CB THR A 100 6.418 -12.035 -4.584 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.447 -11.697 -5.522 1.00 0.00 O ATOM 1185 CG2 THR A 100 6.993 -12.946 -3.508 1.00 0.00 C ATOM 0 H THR A 100 4.256 -11.061 -6.135 1.00 0.00 H new ATOM 0 HA THR A 100 5.618 -13.653 -5.747 1.00 0.00 H new ATOM 0 HB THR A 100 6.038 -11.134 -4.102 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.250 -11.411 -5.038 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.813 -12.438 -3.001 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.215 -13.191 -2.785 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.363 -13.863 -3.967 1.00 0.00 H new ATOM 1193 N PRO A 101 3.401 -14.122 -4.591 1.00 0.00 N ATOM 1194 CA PRO A 101 2.227 -14.502 -3.813 1.00 0.00 C ATOM 1195 C PRO A 101 2.603 -15.126 -2.473 1.00 0.00 C ATOM 1196 O PRO A 101 2.323 -16.300 -2.214 1.00 0.00 O ATOM 1197 CB PRO A 101 1.509 -15.531 -4.704 1.00 0.00 C ATOM 1198 CG PRO A 101 2.337 -15.672 -5.942 1.00 0.00 C ATOM 1199 CD PRO A 101 3.691 -15.109 -5.628 1.00 0.00 C ATOM 0 HA PRO A 101 1.609 -13.639 -3.566 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.412 -16.488 -4.191 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.501 -15.197 -4.948 1.00 0.00 H new ATOM 0 HG2 PRO A 101 2.413 -16.718 -6.238 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.880 -15.137 -6.775 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.376 -15.879 -5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.151 -14.652 -6.504 1.00 0.00 H new ATOM 1207 N GLN A 102 3.244 -14.333 -1.630 1.00 0.00 N ATOM 1208 CA GLN A 102 3.677 -14.790 -0.319 1.00 0.00 C ATOM 1209 C GLN A 102 3.479 -13.692 0.720 1.00 0.00 C ATOM 1210 O GLN A 102 2.572 -13.760 1.549 1.00 0.00 O ATOM 1211 CB GLN A 102 5.150 -15.211 -0.358 1.00 0.00 C ATOM 1212 CG GLN A 102 5.427 -16.406 -1.255 1.00 0.00 C ATOM 1213 CD GLN A 102 6.906 -16.666 -1.439 1.00 0.00 C ATOM 1214 OE1 GLN A 102 7.718 -16.372 -0.559 1.00 0.00 O ATOM 1215 NE2 GLN A 102 7.267 -17.219 -2.586 1.00 0.00 N ATOM 0 H GLN A 102 3.478 -13.361 -1.833 1.00 0.00 H new ATOM 0 HA GLN A 102 3.071 -15.652 -0.040 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.750 -14.367 -0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.477 -15.446 0.655 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.957 -17.292 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 102 4.968 -16.238 -2.229 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.562 -17.446 -3.287 1.00 0.00 H new ATOM 0 HE22 GLN A 102 8.251 -17.418 -2.769 1.00 0.00 H new ATOM 1224 N SER A 103 4.320 -12.669 0.652 1.00 0.00 N ATOM 1225 CA SER A 103 4.288 -11.587 1.625 1.00 0.00 C ATOM 1226 C SER A 103 3.192 -10.578 1.292 1.00 0.00 C ATOM 1227 O SER A 103 2.794 -9.772 2.139 1.00 0.00 O ATOM 1228 CB SER A 103 5.647 -10.889 1.655 1.00 0.00 C ATOM 1229 OG SER A 103 6.705 -11.833 1.597 1.00 0.00 O ATOM 0 H SER A 103 5.034 -12.566 -0.069 1.00 0.00 H new ATOM 0 HA SER A 103 4.069 -12.010 2.605 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.724 -10.199 0.815 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.735 -10.295 2.565 1.00 0.00 H new ATOM 0 HG SER A 103 7.565 -11.363 1.616 1.00 0.00 H new ATOM 1235 N SER A 104 2.703 -10.626 0.060 1.00 0.00 N ATOM 1236 CA SER A 104 1.702 -9.681 -0.400 1.00 0.00 C ATOM 1237 C SER A 104 0.320 -10.051 0.129 1.00 0.00 C ATOM 1238 O SER A 104 0.006 -11.229 0.321 1.00 0.00 O ATOM 1239 CB SER A 104 1.700 -9.625 -1.928 1.00 0.00 C ATOM 1240 OG SER A 104 1.522 -10.916 -2.481 1.00 0.00 O ATOM 0 H SER A 104 2.986 -11.313 -0.639 1.00 0.00 H new ATOM 0 HA SER A 104 1.953 -8.693 -0.013 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.903 -8.965 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.639 -9.200 -2.281 1.00 0.00 H new ATOM 0 HG SER A 104 0.567 -11.135 -2.499 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.497 -9.040 0.372 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.842 -9.246 0.877 1.00 0.00 C ATOM 1248 C ILE A 105 -2.868 -8.602 -0.034 1.00 0.00 C ATOM 1249 O ILE A 105 -2.661 -7.500 -0.549 1.00 0.00 O ATOM 1250 CB ILE A 105 -2.033 -8.673 2.300 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.466 -7.252 2.388 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.400 -9.589 3.341 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.858 -6.506 3.643 1.00 0.00 C ATOM 0 H ILE A 105 -0.249 -8.062 0.226 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.987 -10.326 0.910 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.101 -8.621 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.379 -7.303 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.803 -6.684 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.546 -9.166 4.335 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.867 -10.573 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.333 -9.684 3.141 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.416 -5.510 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.944 -6.421 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.497 -7.049 4.517 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.971 -9.294 -0.231 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.109 -8.718 -0.908 1.00 0.00 C ATOM 1267 C ILE A 106 -6.198 -8.465 0.129 1.00 0.00 C ATOM 1268 O ILE A 106 -6.608 -9.370 0.860 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.630 -9.605 -2.071 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -6.745 -8.879 -2.832 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -6.113 -10.962 -1.569 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -7.313 -9.666 -3.995 1.00 0.00 C ATOM 0 H ILE A 106 -4.101 -10.260 0.070 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.804 -7.781 -1.374 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.799 -9.787 -2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -7.552 -8.645 -2.137 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.358 -7.930 -3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -6.470 -11.555 -2.411 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -5.290 -11.484 -1.081 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.925 -10.818 -0.856 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -8.096 -9.084 -4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -6.520 -9.878 -4.713 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -7.732 -10.604 -3.630 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.614 -7.223 0.245 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.562 -6.852 1.275 1.00 0.00 C ATOM 1286 C CYS A 107 -8.911 -6.514 0.665 1.00 0.00 C ATOM 1287 O CYS A 107 -8.997 -6.115 -0.497 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.030 -5.668 2.081 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.643 -5.615 3.793 1.00 0.00 S ATOM 0 H CYS A 107 -6.314 -6.456 -0.357 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.693 -7.701 1.946 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.941 -5.710 2.095 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.307 -4.742 1.576 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.961 -6.681 1.450 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.310 -6.417 0.990 1.00 0.00 C ATOM 1296 C TYR A 108 -12.091 -5.653 2.046 1.00 0.00 C ATOM 1297 O TYR A 108 -11.840 -5.801 3.243 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.024 -7.724 0.610 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.571 -8.952 1.384 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -12.166 -9.310 2.589 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.549 -9.762 0.895 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.755 -10.437 3.283 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.137 -10.888 1.582 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.741 -11.221 2.772 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.329 -12.350 3.452 1.00 0.00 O ATOM 0 H TYR A 108 -9.902 -7.001 2.417 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.254 -5.797 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -13.095 -7.592 0.761 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.873 -7.907 -0.454 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.961 -8.700 2.991 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.070 -9.505 -0.038 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -12.226 -10.700 4.219 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.344 -11.504 1.186 1.00 0.00 H new ATOM 0 HH TYR A 108 -10.307 -13.113 2.837 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.015 -4.815 1.595 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.790 -4.001 2.505 1.00 0.00 C ATOM 1317 C GLY A 109 -14.027 -2.611 1.954 1.00 0.00 C ATOM 1318 O GLY A 109 -14.949 -2.395 1.169 1.00 0.00 O ATOM 0 H GLY A 109 -13.241 -4.686 0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.748 -4.484 2.698 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.271 -3.929 3.461 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.185 -1.668 2.358 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.289 -0.285 1.903 1.00 0.00 C ATOM 1324 C GLN A 110 -11.902 0.292 1.646 1.00 0.00 C ATOM 1325 O GLN A 110 -10.907 -0.216 2.168 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.033 0.567 2.938 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.514 0.239 3.051 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.222 1.074 4.095 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -16.304 0.690 5.262 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.740 2.219 3.685 1.00 0.00 N ATOM 0 H GLN A 110 -12.415 -1.837 3.006 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.854 -0.270 0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -13.564 0.430 3.913 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.922 1.619 2.676 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.991 0.395 2.083 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.630 -0.817 3.297 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -16.649 2.499 2.708 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -17.231 2.822 4.345 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.846 1.347 0.839 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.586 1.978 0.455 1.00 0.00 C ATOM 1341 C LEU A 111 -9.793 2.424 1.680 1.00 0.00 C ATOM 1342 O LEU A 111 -10.244 3.270 2.453 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.856 3.181 -0.458 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.618 3.982 -0.893 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.721 3.160 -1.810 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.038 5.271 -1.581 1.00 0.00 C ATOM 0 H LEU A 111 -12.671 1.789 0.433 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.992 1.240 -0.084 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.369 2.827 -1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.540 3.856 0.055 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.046 4.229 0.002 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.855 3.754 -2.100 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.388 2.264 -1.286 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.278 2.872 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.151 5.828 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.636 5.035 -2.461 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.628 5.875 -0.892 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.619 1.836 1.858 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.758 2.219 2.957 1.00 0.00 C ATOM 1360 C GLY A 112 -7.947 1.352 4.184 1.00 0.00 C ATOM 1361 O GLY A 112 -7.332 1.599 5.221 1.00 0.00 O ATOM 0 H GLY A 112 -8.247 1.099 1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.718 2.161 2.634 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -7.953 3.259 3.220 1.00 0.00 H new ATOM 1365 N SER A 113 -8.800 0.344 4.071 1.00 0.00 N ATOM 1366 CA SER A 113 -9.042 -0.571 5.173 1.00 0.00 C ATOM 1367 C SER A 113 -8.105 -1.774 5.085 1.00 0.00 C ATOM 1368 O SER A 113 -8.028 -2.440 4.051 1.00 0.00 O ATOM 1369 CB SER A 113 -10.506 -1.029 5.175 1.00 0.00 C ATOM 1370 OG SER A 113 -10.788 -1.861 6.287 1.00 0.00 O ATOM 0 H SER A 113 -9.335 0.141 3.227 1.00 0.00 H new ATOM 0 HA SER A 113 -8.842 -0.048 6.108 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.161 -0.158 5.196 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.721 -1.568 4.252 1.00 0.00 H new ATOM 0 HG SER A 113 -11.729 -2.135 6.261 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.389 -2.023 6.171 1.00 0.00 N ATOM 1377 CA PHE A 114 -6.476 -3.154 6.271 1.00 0.00 C ATOM 1378 C PHE A 114 -6.831 -3.994 7.494 1.00 0.00 C ATOM 1379 O PHE A 114 -5.994 -4.721 8.029 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.028 -2.673 6.404 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.534 -1.850 5.243 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -3.979 -2.459 4.127 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.615 -0.467 5.274 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.515 -1.702 3.069 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -4.155 0.295 4.219 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.604 -0.324 3.114 1.00 0.00 C ATOM 0 H PHE A 114 -7.424 -1.445 7.011 1.00 0.00 H new ATOM 0 HA PHE A 114 -6.571 -3.751 5.364 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.937 -2.083 7.316 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -4.379 -3.541 6.520 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.909 -3.536 4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -5.044 0.022 6.136 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -3.083 -2.187 2.206 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -4.226 1.372 4.257 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.243 0.268 2.286 1.00 0.00 H new ATOM 1396 N SER A 115 -8.078 -3.889 7.927 1.00 0.00 N ATOM 1397 CA SER A 115 -8.509 -4.510 9.172 1.00 0.00 C ATOM 1398 C SER A 115 -8.709 -6.013 8.999 1.00 0.00 C ATOM 1399 O SER A 115 -8.662 -6.772 9.972 1.00 0.00 O ATOM 1400 CB SER A 115 -9.804 -3.861 9.665 1.00 0.00 C ATOM 1401 OG SER A 115 -10.073 -4.199 11.017 1.00 0.00 O ATOM 0 H SER A 115 -8.811 -3.379 7.434 1.00 0.00 H new ATOM 0 HA SER A 115 -7.726 -4.356 9.914 1.00 0.00 H new ATOM 0 HB2 SER A 115 -9.730 -2.778 9.567 1.00 0.00 H new ATOM 0 HB3 SER A 115 -10.635 -4.181 9.036 1.00 0.00 H new ATOM 0 HG SER A 115 -10.906 -3.768 11.303 1.00 0.00 H new ATOM 1407 N ASN A 116 -8.935 -6.438 7.764 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.155 -7.844 7.469 1.00 0.00 C ATOM 1409 C ASN A 116 -8.654 -8.169 6.068 1.00 0.00 C ATOM 1410 O ASN A 116 -9.391 -8.077 5.083 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.641 -8.183 7.616 1.00 0.00 C ATOM 1412 CG ASN A 116 -10.930 -9.665 7.459 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -11.270 -10.131 6.374 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -10.794 -10.415 8.539 1.00 0.00 N ATOM 0 H ASN A 116 -8.971 -5.826 6.949 1.00 0.00 H new ATOM 0 HA ASN A 116 -8.595 -8.453 8.179 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -10.988 -7.853 8.595 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.210 -7.627 6.871 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -10.973 -11.418 8.489 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -10.510 -9.991 9.422 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.382 -8.524 5.987 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.742 -8.817 4.715 1.00 0.00 C ATOM 1423 C CYS A 117 -6.172 -10.231 4.744 1.00 0.00 C ATOM 1424 O CYS A 117 -5.939 -10.786 5.820 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.613 -7.816 4.454 1.00 0.00 C ATOM 1426 SG CYS A 117 -6.007 -6.089 4.899 1.00 0.00 S ATOM 0 H CYS A 117 -6.767 -8.617 6.796 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.481 -8.738 3.918 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.732 -8.129 5.014 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.350 -7.854 3.397 1.00 0.00 H new ATOM 1431 N SER A 118 -5.943 -10.810 3.576 1.00 0.00 N ATOM 1432 CA SER A 118 -5.408 -12.162 3.486 1.00 0.00 C ATOM 1433 C SER A 118 -4.209 -12.201 2.542 1.00 0.00 C ATOM 1434 O SER A 118 -4.168 -11.467 1.552 1.00 0.00 O ATOM 1435 CB SER A 118 -6.501 -13.116 3.005 1.00 0.00 C ATOM 1436 OG SER A 118 -7.622 -13.081 3.877 1.00 0.00 O ATOM 0 H SER A 118 -6.119 -10.365 2.675 1.00 0.00 H new ATOM 0 HA SER A 118 -5.071 -12.477 4.474 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.811 -12.842 1.996 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.107 -14.131 2.953 1.00 0.00 H new ATOM 0 HG SER A 118 -8.410 -12.772 3.384 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.223 -13.038 2.863 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.032 -13.158 2.024 1.00 0.00 C ATOM 1444 C HIS A 119 -2.383 -13.855 0.713 1.00 0.00 C ATOM 1445 O HIS A 119 -2.953 -14.945 0.709 1.00 0.00 O ATOM 1446 CB HIS A 119 -0.873 -13.874 2.759 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.034 -15.356 2.963 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.029 -16.264 2.684 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -2.068 -16.085 3.449 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.439 -17.480 2.985 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -1.672 -17.400 3.453 1.00 0.00 N ATOM 0 H HIS A 119 -3.224 -13.637 3.689 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.677 -12.153 1.797 1.00 0.00 H new ATOM 0 HB2 HIS A 119 0.046 -13.703 2.199 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -0.744 -13.405 3.735 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -3.025 -15.703 3.773 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.135 -18.387 2.869 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -2.239 -18.188 3.767 1.00 0.00 H new ATOM 1459 N SER A 120 -2.058 -13.207 -0.392 1.00 0.00 N ATOM 1460 CA SER A 120 -2.463 -13.680 -1.704 1.00 0.00 C ATOM 1461 C SER A 120 -1.602 -14.854 -2.150 1.00 0.00 C ATOM 1462 O SER A 120 -0.413 -14.688 -2.411 1.00 0.00 O ATOM 1463 CB SER A 120 -2.357 -12.533 -2.712 1.00 0.00 C ATOM 1464 OG SER A 120 -1.058 -11.964 -2.687 1.00 0.00 O ATOM 0 H SER A 120 -1.511 -12.346 -0.406 1.00 0.00 H new ATOM 0 HA SER A 120 -3.496 -14.024 -1.650 1.00 0.00 H new ATOM 0 HB2 SER A 120 -2.580 -12.901 -3.714 1.00 0.00 H new ATOM 0 HB3 SER A 120 -3.099 -11.769 -2.481 1.00 0.00 H new ATOM 0 HG SER A 120 -0.387 -12.678 -2.714 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.189 -16.041 -2.214 1.00 0.00 N ATOM 1471 CA ARG A 121 -1.477 -17.206 -2.718 1.00 0.00 C ATOM 1472 C ARG A 121 -1.773 -17.396 -4.201 1.00 0.00 C ATOM 1473 O ARG A 121 -1.085 -18.144 -4.898 1.00 0.00 O ATOM 1474 CB ARG A 121 -1.855 -18.462 -1.934 1.00 0.00 C ATOM 1475 CG ARG A 121 -1.583 -18.348 -0.443 1.00 0.00 C ATOM 1476 CD ARG A 121 -1.818 -19.668 0.271 1.00 0.00 C ATOM 1477 NE ARG A 121 -0.860 -20.695 -0.140 1.00 0.00 N ATOM 1478 CZ ARG A 121 -1.153 -21.987 -0.243 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -2.384 -22.410 0.014 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -0.219 -22.852 -0.614 1.00 0.00 N ATOM 0 H ARG A 121 -3.150 -16.222 -1.925 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.408 -17.038 -2.587 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.913 -18.672 -2.088 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -1.300 -19.311 -2.333 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -0.554 -18.026 -0.284 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -2.227 -17.581 -0.013 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -1.745 -19.515 1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -2.831 -20.015 0.066 1.00 0.00 H new ATOM 0 HE ARG A 121 0.091 -20.401 -0.361 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -3.105 -21.744 0.290 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -2.609 -23.402 -0.065 1.00 0.00 H new ATOM 0 HH21 ARG A 121 0.725 -22.526 -0.821 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -0.445 -23.844 -0.693 1.00 0.00 H new ATOM 1493 N ASN A 122 -2.808 -16.714 -4.675 1.00 0.00 N ATOM 1494 CA ASN A 122 -3.138 -16.698 -6.091 1.00 0.00 C ATOM 1495 C ASN A 122 -2.448 -15.508 -6.758 1.00 0.00 C ATOM 1496 O ASN A 122 -2.708 -14.353 -6.417 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.665 -16.665 -6.313 1.00 0.00 C ATOM 1498 CG ASN A 122 -5.373 -15.515 -5.609 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.933 -15.031 -4.566 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -6.498 -15.089 -6.163 1.00 0.00 N ATOM 0 H ASN A 122 -3.437 -16.161 -4.093 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.775 -17.618 -6.550 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.864 -16.599 -7.383 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -5.092 -17.606 -5.967 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -7.029 -14.337 -5.725 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -6.833 -15.513 -7.028 1.00 0.00 H new ATOM 1507 N ASP A 123 -1.555 -15.799 -7.700 1.00 0.00 N ATOM 1508 CA ASP A 123 -0.683 -14.779 -8.286 1.00 0.00 C ATOM 1509 C ASP A 123 -1.412 -13.944 -9.334 1.00 0.00 C ATOM 1510 O ASP A 123 -1.094 -13.979 -10.521 1.00 0.00 O ATOM 1511 CB ASP A 123 0.567 -15.426 -8.894 1.00 0.00 C ATOM 1512 CG ASP A 123 1.627 -14.405 -9.279 1.00 0.00 C ATOM 1513 OD1 ASP A 123 1.732 -13.364 -8.601 1.00 0.00 O ATOM 1514 OD2 ASP A 123 2.384 -14.666 -10.244 1.00 0.00 O ATOM 0 H ASP A 123 -1.414 -16.736 -8.077 1.00 0.00 H new ATOM 0 HA ASP A 123 -0.380 -14.108 -7.483 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.990 -16.132 -8.179 1.00 0.00 H new ATOM 0 HB3 ASP A 123 0.282 -15.999 -9.777 1.00 0.00 H new ATOM 1519 N MET A 124 -2.412 -13.211 -8.878 1.00 0.00 N ATOM 1520 CA MET A 124 -3.091 -12.219 -9.697 1.00 0.00 C ATOM 1521 C MET A 124 -2.715 -10.841 -9.182 1.00 0.00 C ATOM 1522 O MET A 124 -3.437 -9.864 -9.378 1.00 0.00 O ATOM 1523 CB MET A 124 -4.612 -12.394 -9.610 1.00 0.00 C ATOM 1524 CG MET A 124 -5.126 -13.718 -10.147 1.00 0.00 C ATOM 1525 SD MET A 124 -4.911 -13.884 -11.929 1.00 0.00 S ATOM 1526 CE MET A 124 -5.762 -15.434 -12.217 1.00 0.00 C ATOM 0 H MET A 124 -2.778 -13.286 -7.929 1.00 0.00 H new ATOM 0 HA MET A 124 -2.790 -12.340 -10.738 1.00 0.00 H new ATOM 0 HB2 MET A 124 -4.917 -12.296 -8.568 1.00 0.00 H new ATOM 0 HB3 MET A 124 -5.090 -11.583 -10.160 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.605 -14.534 -9.646 1.00 0.00 H new ATOM 0 HG3 MET A 124 -6.184 -13.817 -9.903 1.00 0.00 H new ATOM 0 HE1 MET A 124 -5.720 -15.681 -13.278 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.282 -16.225 -11.641 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.803 -15.341 -11.907 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.570 -10.776 -8.524 1.00 0.00 N ATOM 1537 CA CYS A 125 -1.232 -9.629 -7.701 1.00 0.00 C ATOM 1538 C CYS A 125 -0.339 -8.627 -8.423 1.00 0.00 C ATOM 1539 O CYS A 125 0.528 -8.989 -9.217 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.550 -10.094 -6.414 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.272 -8.760 -5.208 1.00 0.00 S ATOM 0 H CYS A 125 -0.858 -11.506 -8.544 1.00 0.00 H new ATOM 0 HA CYS A 125 -2.166 -9.118 -7.468 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.160 -10.869 -5.950 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.408 -10.550 -6.665 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.578 -7.355 -8.136 1.00 0.00 N ATOM 1547 CA HIS A 126 0.284 -6.273 -8.580 1.00 0.00 C ATOM 1548 C HIS A 126 0.662 -5.445 -7.359 1.00 0.00 C ATOM 1549 O HIS A 126 -0.196 -5.135 -6.530 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.414 -5.391 -9.625 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.708 -6.086 -10.922 1.00 0.00 C ATOM 1552 ND1 HIS A 126 0.019 -5.868 -12.073 1.00 0.00 N ATOM 1553 CD2 HIS A 126 -1.665 -6.986 -11.253 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -0.474 -6.602 -13.052 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -1.495 -7.290 -12.582 1.00 0.00 N ATOM 0 H HIS A 126 -1.379 -7.045 -7.586 1.00 0.00 H new ATOM 0 HA HIS A 126 1.173 -6.688 -9.054 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.349 -5.021 -9.205 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.212 -4.521 -9.826 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -2.421 -7.389 -10.595 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.104 -6.634 -14.066 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -2.067 -7.943 -13.118 1.00 0.00 H new ATOM 1563 N SER A 127 1.934 -5.106 -7.230 1.00 0.00 N ATOM 1564 CA SER A 127 2.414 -4.434 -6.032 1.00 0.00 C ATOM 1565 C SER A 127 2.033 -2.957 -6.034 1.00 0.00 C ATOM 1566 O SER A 127 2.401 -2.205 -6.944 1.00 0.00 O ATOM 1567 CB SER A 127 3.926 -4.605 -5.915 1.00 0.00 C ATOM 1568 OG SER A 127 4.271 -5.979 -5.969 1.00 0.00 O ATOM 0 H SER A 127 2.650 -5.283 -7.935 1.00 0.00 H new ATOM 0 HA SER A 127 1.937 -4.891 -5.165 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.423 -4.066 -6.721 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.277 -4.171 -4.978 1.00 0.00 H new ATOM 0 HG SER A 127 5.194 -6.072 -6.284 1.00 0.00 H new ATOM 1574 N LEU A 128 1.287 -2.553 -5.012 1.00 0.00 N ATOM 1575 CA LEU A 128 0.832 -1.179 -4.897 1.00 0.00 C ATOM 1576 C LEU A 128 1.974 -0.289 -4.429 1.00 0.00 C ATOM 1577 O LEU A 128 2.720 -0.646 -3.514 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.342 -1.076 -3.915 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.974 0.316 -3.789 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.714 0.696 -5.064 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.910 0.372 -2.593 1.00 0.00 C ATOM 0 H LEU A 128 0.986 -3.162 -4.251 1.00 0.00 H new ATOM 0 HA LEU A 128 0.495 -0.846 -5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.114 -1.781 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.002 -1.391 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.172 1.038 -3.635 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.153 1.687 -4.948 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.016 0.704 -5.901 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.504 -0.030 -5.257 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.348 1.367 -2.520 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.703 -0.366 -2.717 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.351 0.155 -1.683 1.00 0.00 H new ATOM 1593 N GLY A 129 2.115 0.853 -5.073 1.00 0.00 N ATOM 1594 CA GLY A 129 3.128 1.798 -4.686 1.00 0.00 C ATOM 1595 C GLY A 129 2.568 3.194 -4.560 1.00 0.00 C ATOM 1596 O GLY A 129 1.598 3.547 -5.236 1.00 0.00 O ATOM 0 H GLY A 129 1.540 1.143 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.566 1.494 -3.735 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.931 1.793 -5.423 1.00 0.00 H new ATOM 1600 N LEU A 130 3.171 3.983 -3.692 1.00 0.00 N ATOM 1601 CA LEU A 130 2.732 5.346 -3.464 1.00 0.00 C ATOM 1602 C LEU A 130 3.886 6.306 -3.713 1.00 0.00 C ATOM 1603 O LEU A 130 5.024 6.027 -3.333 1.00 0.00 O ATOM 1604 CB LEU A 130 2.214 5.494 -2.029 1.00 0.00 C ATOM 1605 CG LEU A 130 1.725 6.892 -1.632 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.518 7.304 -2.461 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.389 6.932 -0.148 1.00 0.00 C ATOM 0 H LEU A 130 3.973 3.700 -3.129 1.00 0.00 H new ATOM 0 HA LEU A 130 1.922 5.584 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.395 4.790 -1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.010 5.201 -1.344 1.00 0.00 H new ATOM 0 HG LEU A 130 2.528 7.602 -1.830 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.192 8.299 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.789 7.316 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.292 6.593 -2.302 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.043 7.930 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.605 6.206 0.067 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.278 6.688 0.433 1.00 0.00 H new ATOM 1619 N THR A 131 3.602 7.412 -4.379 1.00 0.00 N ATOM 1620 CA THR A 131 4.603 8.429 -4.630 1.00 0.00 C ATOM 1621 C THR A 131 4.279 9.696 -3.846 1.00 0.00 C ATOM 1622 O THR A 131 3.282 10.357 -4.122 1.00 0.00 O ATOM 1623 CB THR A 131 4.679 8.766 -6.130 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.820 7.558 -6.887 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.847 9.695 -6.427 1.00 0.00 C ATOM 0 H THR A 131 2.679 7.627 -4.757 1.00 0.00 H new ATOM 0 HA THR A 131 5.567 8.036 -4.306 1.00 0.00 H new ATOM 0 HB THR A 131 3.758 9.275 -6.413 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.867 7.774 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.875 9.915 -7.494 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.725 10.623 -5.868 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.779 9.213 -6.132 1.00 0.00 H new ATOM 1633 N CYS A 132 5.105 10.011 -2.861 1.00 0.00 N ATOM 1634 CA CYS A 132 4.916 11.210 -2.049 1.00 0.00 C ATOM 1635 C CYS A 132 5.995 12.235 -2.376 1.00 0.00 C ATOM 1636 O CYS A 132 7.080 11.869 -2.830 1.00 0.00 O ATOM 1637 CB CYS A 132 4.982 10.846 -0.561 1.00 0.00 C ATOM 1638 SG CYS A 132 3.937 9.427 -0.095 1.00 0.00 S ATOM 0 H CYS A 132 5.918 9.452 -2.601 1.00 0.00 H new ATOM 0 HA CYS A 132 3.938 11.638 -2.271 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.016 10.624 -0.298 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.682 11.713 0.028 1.00 0.00 H new ATOM 1643 N LEU A 133 5.690 13.517 -2.167 1.00 0.00 N ATOM 1644 CA LEU A 133 6.673 14.580 -2.371 1.00 0.00 C ATOM 1645 C LEU A 133 7.919 14.336 -1.529 1.00 0.00 C ATOM 1646 O LEU A 133 7.841 14.207 -0.306 1.00 0.00 O ATOM 1647 CB LEU A 133 6.083 15.952 -2.029 1.00 0.00 C ATOM 1648 CG LEU A 133 5.188 16.580 -3.099 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.565 17.864 -2.573 1.00 0.00 C ATOM 1650 CD2 LEU A 133 5.983 16.863 -4.369 1.00 0.00 C ATOM 0 H LEU A 133 4.774 13.842 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 133 6.949 14.570 -3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.506 15.859 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 133 6.904 16.638 -1.822 1.00 0.00 H new ATOM 0 HG LEU A 133 4.394 15.874 -3.341 1.00 0.00 H new ATOM 0 HD11 LEU A 133 3.930 18.302 -3.343 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.965 17.642 -1.691 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.353 18.569 -2.308 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.327 17.309 -5.117 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.797 17.552 -4.143 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.394 15.931 -4.757 1.00 0.00 H new ATOM 1662 N GLU A 134 9.058 14.267 -2.196 1.00 0.00 N ATOM 1663 CA GLU A 134 10.330 14.027 -1.532 1.00 0.00 C ATOM 1664 C GLU A 134 10.955 15.349 -1.096 1.00 0.00 C ATOM 1665 O GLU A 134 10.658 15.811 0.026 1.00 0.00 O ATOM 1666 CB GLU A 134 11.274 13.279 -2.482 1.00 0.00 C ATOM 1667 CG GLU A 134 10.724 11.940 -2.952 1.00 0.00 C ATOM 1668 CD GLU A 134 11.287 11.511 -4.288 1.00 0.00 C ATOM 1669 OE1 GLU A 134 10.693 11.872 -5.325 1.00 0.00 O ATOM 1670 OE2 GLU A 134 12.311 10.803 -4.312 1.00 0.00 O ATOM 1671 OXT GLU A 134 11.721 15.935 -1.889 1.00 0.00 O ATOM 0 H GLU A 134 9.129 14.375 -3.208 1.00 0.00 H new ATOM 0 HA GLU A 134 10.161 13.416 -0.645 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.474 13.906 -3.351 1.00 0.00 H new ATOM 0 HB3 GLU A 134 12.228 13.115 -1.980 1.00 0.00 H new ATOM 0 HG2 GLU A 134 10.950 11.178 -2.206 1.00 0.00 H new ATOM 0 HG3 GLU A 134 9.638 12.004 -3.024 1.00 0.00 H new