USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=36 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 47 GLN : amide:sc= -1.02 K(o=-1.1,f=-5.2!) USER MOD Set 1.2: A 58 MET CE :methyl 165:sc= -0.086 (180deg=-0.469) USER MOD Set 1.3: A 98 THR OG1 : rot -150:sc= 0 USER MOD Set 1.4: A 127 SER OG : rot 160:sc= 0 USER MOD Set 2.1: A 120 SER OG : rot 178:sc= 0.161 USER MOD Set 2.2: A 122 ASN :FLIP amide:sc= -0.256 F(o=-0.81,f=-0.095) USER MOD Set 3.1: A 102 GLN : amide:sc= -0.137 X(o=-0.23,f=-0.19) USER MOD Set 3.2: A 119 HIS : no HD1:sc= -0.0888 X(o=-0.23,f=-0.14) USER MOD Set 4.1: A 108 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 118 SER OG : rot -116:sc= 0.231 USER MOD Set 5.1: A 91 SER OG : rot 180:sc= 0.0461 USER MOD Set 5.2: A 131 THR OG1 : rot 131:sc= 0.422 USER MOD Set 6.1: A 29 TYR OH : rot 99:sc= 0.0493 USER MOD Set 6.2: A 76 GLN : amide:sc= 1.07 K(o=1.1,f=-0.49) USER MOD Set 7.1: A 62 GLN : amide:sc= -2.28! C(o=-1.7!,f=-4.2!) USER MOD Set 7.2: A 126 HIS : no HE2:sc= 0.582 K(o=-1.7,f=-6.4!) USER MOD Set 8.1: A 42 SER OG : rot -155:sc= 1.3 USER MOD Set 8.2: A 45 GLN : amide:sc= -3.98! C(o=-2.7!,f=-2.6!) USER MOD Set 9.1: A 38 THR OG1 : rot 89:sc= 1.79 USER MOD Set 9.2: A 40 SER OG : rot 160:sc= 0.718 USER MOD Single : A 27 SER OG : rot 44:sc= 0.219 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 43 LYS NZ :NH3+ -164:sc= -0.0804 (180deg=-0.314) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 163:sc= -0.0516 (180deg=-0.327) USER MOD Single : A 57 HIS : no HE2:sc= -0.179 K(o=-0.18,f=-1.8!) USER MOD Single : A 61 SER OG : rot -3:sc= -0.205 USER MOD Single : A 63 SER OG : rot 76:sc= 1.09 USER MOD Single : A 67 SER OG : rot 180:sc= -0.0686 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0673 USER MOD Single : A 69 LYS NZ :NH3+ -168:sc=-0.00699 (180deg=-0.141) USER MOD Single : A 70 GLN : amide:sc= -0.0974 K(o=-0.097,f=-0.77) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -90:sc= 1.22 USER MOD Single : A 79 LYS NZ :NH3+ -178:sc= 0.0527 (180deg=0.0494) USER MOD Single : A 82 GLN :FLIP amide:sc= 0 F(o=-0.75,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.0259 K(o=-0.026,f=-1.2) USER MOD Single : A 97 LYS NZ :NH3+ -167:sc= -0.0393 (180deg=-0.288) USER MOD Single : A 99 TYR OH : rot 30:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.158 USER MOD Single : A 103 SER OG : rot 103:sc= 1.42 USER MOD Single : A 104 SER OG : rot -117:sc= 1.24 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.55) 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=-0.49) USER MOD Single : A 124 MET CE :methyl 165:sc= -0.616 (180deg=-1.15) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.348 -1.880 10.956 1.00 0.00 N ATOM 24 CA LEU A 26 -7.215 -0.967 10.993 1.00 0.00 C ATOM 25 C LEU A 26 -7.314 0.004 9.829 1.00 0.00 C ATOM 26 O LEU A 26 -7.731 -0.374 8.736 1.00 0.00 O ATOM 27 CB LEU A 26 -5.880 -1.722 10.930 1.00 0.00 C ATOM 28 CG LEU A 26 -5.401 -2.335 12.249 1.00 0.00 C ATOM 29 CD1 LEU A 26 -6.291 -3.487 12.676 1.00 0.00 C ATOM 30 CD2 LEU A 26 -3.958 -2.790 12.122 1.00 0.00 C ATOM 0 HA LEU A 26 -7.245 -0.423 11.937 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.969 -2.519 10.191 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.113 -1.037 10.569 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.460 -1.568 13.021 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.925 -3.901 13.616 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.311 -3.128 12.811 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -6.277 -4.261 11.909 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.629 -3.224 13.066 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.880 -3.537 11.332 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.327 -1.936 11.876 1.00 0.00 H new ATOM 42 N SER A 27 -6.957 1.251 10.057 1.00 0.00 N ATOM 43 CA SER A 27 -6.984 2.244 9.002 1.00 0.00 C ATOM 44 C SER A 27 -5.633 2.933 8.929 1.00 0.00 C ATOM 45 O SER A 27 -4.957 3.087 9.941 1.00 0.00 O ATOM 46 CB SER A 27 -8.090 3.271 9.265 1.00 0.00 C ATOM 47 OG SER A 27 -8.295 4.105 8.135 1.00 0.00 O ATOM 0 H SER A 27 -6.645 1.601 10.963 1.00 0.00 H new ATOM 0 HA SER A 27 -7.192 1.754 8.051 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.018 2.755 9.513 1.00 0.00 H new ATOM 0 HB3 SER A 27 -7.825 3.882 10.128 1.00 0.00 H new ATOM 0 HG SER A 27 -8.300 3.558 7.322 1.00 0.00 H new ATOM 53 N TRP A 28 -5.235 3.348 7.732 1.00 0.00 N ATOM 54 CA TRP A 28 -3.948 4.007 7.559 1.00 0.00 C ATOM 55 C TRP A 28 -3.982 5.446 8.078 1.00 0.00 C ATOM 56 O TRP A 28 -3.034 6.205 7.890 1.00 0.00 O ATOM 57 CB TRP A 28 -3.483 3.951 6.094 1.00 0.00 C ATOM 58 CG TRP A 28 -4.442 4.514 5.077 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.414 5.456 5.272 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.491 4.176 3.684 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.067 5.711 4.092 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.519 4.940 3.103 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.764 3.298 2.869 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.837 4.858 1.749 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -4.084 3.215 1.527 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.111 3.992 0.978 1.00 0.00 C ATOM 0 H TRP A 28 -5.779 3.241 6.876 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.218 3.461 8.157 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.539 4.490 6.012 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.280 2.911 5.837 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -5.635 5.930 6.217 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -6.837 6.369 3.972 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.968 2.697 3.282 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.629 5.457 1.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.532 2.539 0.891 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.335 3.906 -0.075 1.00 0.00 H new ATOM 77 N TYR A 29 -5.083 5.809 8.728 1.00 0.00 N ATOM 78 CA TYR A 29 -5.189 7.094 9.399 1.00 0.00 C ATOM 79 C TYR A 29 -4.865 6.945 10.883 1.00 0.00 C ATOM 80 O TYR A 29 -4.709 7.938 11.593 1.00 0.00 O ATOM 81 CB TYR A 29 -6.588 7.695 9.228 1.00 0.00 C ATOM 82 CG TYR A 29 -6.846 8.285 7.857 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.326 9.526 7.509 1.00 0.00 C ATOM 84 CD2 TYR A 29 -7.616 7.611 6.918 1.00 0.00 C ATOM 85 CE1 TYR A 29 -6.563 10.076 6.264 1.00 0.00 C ATOM 86 CE2 TYR A 29 -7.856 8.155 5.669 1.00 0.00 C ATOM 87 CZ TYR A 29 -7.329 9.389 5.348 1.00 0.00 C ATOM 88 OH TYR A 29 -7.565 9.936 4.107 1.00 0.00 O ATOM 0 H TYR A 29 -5.917 5.226 8.803 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.468 7.771 8.941 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.330 6.921 9.424 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.732 8.472 9.979 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -5.726 10.070 8.224 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.034 6.647 7.167 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.149 11.041 6.010 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.453 7.616 4.948 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.949 9.543 3.454 1.00 0.00 H new ATOM 98 N ASP A 30 -4.764 5.701 11.343 1.00 0.00 N ATOM 99 CA ASP A 30 -4.436 5.423 12.738 1.00 0.00 C ATOM 100 C ASP A 30 -3.028 5.911 13.063 1.00 0.00 C ATOM 101 O ASP A 30 -2.096 5.722 12.281 1.00 0.00 O ATOM 102 CB ASP A 30 -4.556 3.927 13.046 1.00 0.00 C ATOM 103 CG ASP A 30 -5.988 3.480 13.274 1.00 0.00 C ATOM 104 OD1 ASP A 30 -6.553 3.825 14.331 1.00 0.00 O ATOM 105 OD2 ASP A 30 -6.555 2.781 12.405 1.00 0.00 O ATOM 0 H ASP A 30 -4.905 4.869 10.770 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.150 5.960 13.362 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.131 3.357 12.220 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.964 3.696 13.931 1.00 0.00 H new ATOM 110 N PRO A 31 -2.863 6.552 14.230 1.00 0.00 N ATOM 111 CA PRO A 31 -1.597 7.177 14.630 1.00 0.00 C ATOM 112 C PRO A 31 -0.486 6.166 14.897 1.00 0.00 C ATOM 113 O PRO A 31 0.693 6.523 14.925 1.00 0.00 O ATOM 114 CB PRO A 31 -1.956 7.930 15.912 1.00 0.00 C ATOM 115 CG PRO A 31 -3.153 7.227 16.448 1.00 0.00 C ATOM 116 CD PRO A 31 -3.908 6.716 15.255 1.00 0.00 C ATOM 0 HA PRO A 31 -1.202 7.814 13.839 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.133 7.909 16.626 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.173 8.978 15.707 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.861 6.407 17.104 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.770 7.904 17.038 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.409 5.773 15.471 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -4.677 7.419 14.935 1.00 0.00 H new ATOM 124 N ASP A 32 -0.860 4.914 15.105 1.00 0.00 N ATOM 125 CA ASP A 32 0.121 3.856 15.311 1.00 0.00 C ATOM 126 C ASP A 32 0.104 2.857 14.165 1.00 0.00 C ATOM 127 O ASP A 32 0.560 1.725 14.308 1.00 0.00 O ATOM 128 CB ASP A 32 -0.113 3.131 16.639 1.00 0.00 C ATOM 129 CG ASP A 32 0.507 3.855 17.815 1.00 0.00 C ATOM 130 OD1 ASP A 32 -0.100 4.830 18.311 1.00 0.00 O ATOM 131 OD2 ASP A 32 1.607 3.452 18.254 1.00 0.00 O ATOM 0 H ASP A 32 -1.831 4.604 15.136 1.00 0.00 H new ATOM 0 HA ASP A 32 1.102 4.330 15.343 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -1.185 3.025 16.807 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.301 2.125 16.577 1.00 0.00 H new ATOM 136 N PHE A 33 -0.417 3.276 13.020 1.00 0.00 N ATOM 137 CA PHE A 33 -0.422 2.418 11.849 1.00 0.00 C ATOM 138 C PHE A 33 0.951 2.439 11.196 1.00 0.00 C ATOM 139 O PHE A 33 1.280 3.350 10.437 1.00 0.00 O ATOM 140 CB PHE A 33 -1.490 2.861 10.849 1.00 0.00 C ATOM 141 CG PHE A 33 -1.804 1.819 9.814 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.657 0.767 10.113 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.247 1.884 8.548 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.948 -0.199 9.171 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.533 0.919 7.600 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.385 -0.122 7.912 1.00 0.00 C ATOM 0 H PHE A 33 -0.837 4.195 12.880 1.00 0.00 H new ATOM 0 HA PHE A 33 -0.658 1.401 12.164 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.402 3.112 11.390 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.155 3.770 10.349 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.099 0.703 11.096 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.582 2.697 8.298 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.614 -1.013 9.418 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.091 0.979 6.617 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.611 -0.876 7.172 1.00 0.00 H new ATOM 156 N GLN A 34 1.758 1.443 11.518 1.00 0.00 N ATOM 157 CA GLN A 34 3.119 1.371 11.012 1.00 0.00 C ATOM 158 C GLN A 34 3.131 0.917 9.556 1.00 0.00 C ATOM 159 O GLN A 34 2.636 -0.160 9.222 1.00 0.00 O ATOM 160 CB GLN A 34 3.953 0.421 11.876 1.00 0.00 C ATOM 161 CG GLN A 34 4.098 0.875 13.320 1.00 0.00 C ATOM 162 CD GLN A 34 4.856 -0.124 14.170 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.269 -1.032 14.758 1.00 0.00 O ATOM 164 NE2 GLN A 34 6.164 0.043 14.260 1.00 0.00 N ATOM 0 H GLN A 34 1.494 0.670 12.129 1.00 0.00 H new ATOM 0 HA GLN A 34 3.559 2.367 11.061 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.494 -0.568 11.860 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.945 0.320 11.435 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.615 1.834 13.345 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.108 1.034 13.748 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.616 0.807 13.758 1.00 0.00 H new ATOM 0 HE22 GLN A 34 6.721 -0.592 14.831 1.00 0.00 H new ATOM 173 N ALA A 35 3.681 1.757 8.696 1.00 0.00 N ATOM 174 CA ALA A 35 3.810 1.441 7.282 1.00 0.00 C ATOM 175 C ALA A 35 5.157 1.922 6.764 1.00 0.00 C ATOM 176 O ALA A 35 5.751 2.843 7.327 1.00 0.00 O ATOM 177 CB ALA A 35 2.676 2.072 6.484 1.00 0.00 C ATOM 0 H ALA A 35 4.049 2.672 8.955 1.00 0.00 H new ATOM 0 HA ALA A 35 3.750 0.360 7.159 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.791 1.823 5.429 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.721 1.690 6.845 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.703 3.155 6.607 1.00 0.00 H new ATOM 183 N ARG A 36 5.643 1.297 5.704 1.00 0.00 N ATOM 184 CA ARG A 36 6.929 1.659 5.137 1.00 0.00 C ATOM 185 C ARG A 36 6.912 1.499 3.624 1.00 0.00 C ATOM 186 O ARG A 36 6.142 0.706 3.078 1.00 0.00 O ATOM 187 CB ARG A 36 8.045 0.793 5.730 1.00 0.00 C ATOM 188 CG ARG A 36 7.975 -0.665 5.301 1.00 0.00 C ATOM 189 CD ARG A 36 9.167 -1.459 5.804 1.00 0.00 C ATOM 190 NE ARG A 36 9.171 -2.813 5.253 1.00 0.00 N ATOM 191 CZ ARG A 36 10.006 -3.774 5.635 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.927 -3.536 6.559 1.00 0.00 N ATOM 193 NH2 ARG A 36 9.933 -4.969 5.073 1.00 0.00 N ATOM 0 H ARG A 36 5.165 0.537 5.220 1.00 0.00 H new ATOM 0 HA ARG A 36 7.121 2.703 5.383 1.00 0.00 H new ATOM 0 HB2 ARG A 36 9.010 1.205 5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.996 0.846 6.818 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.055 -1.111 5.679 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.933 -0.722 4.213 1.00 0.00 H new ATOM 0 HD2 ARG A 36 10.090 -0.949 5.528 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.142 -1.507 6.893 1.00 0.00 H new ATOM 0 HE ARG A 36 8.489 -3.035 4.528 1.00 0.00 H new ATOM 0 HH11 ARG A 36 10.998 -2.610 6.982 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.564 -4.279 6.847 1.00 0.00 H new ATOM 0 HH21 ARG A 36 9.238 -5.151 4.349 1.00 0.00 H new ATOM 0 HH22 ARG A 36 10.572 -5.709 5.363 1.00 0.00 H new ATOM 206 N LEU A 37 7.755 2.268 2.959 1.00 0.00 N ATOM 207 CA LEU A 37 7.967 2.126 1.531 1.00 0.00 C ATOM 208 C LEU A 37 9.340 1.515 1.299 1.00 0.00 C ATOM 209 O LEU A 37 10.324 1.920 1.924 1.00 0.00 O ATOM 210 CB LEU A 37 7.846 3.484 0.837 1.00 0.00 C ATOM 211 CG LEU A 37 6.461 4.132 0.937 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.484 5.540 0.377 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.425 3.301 0.202 1.00 0.00 C ATOM 0 H LEU A 37 8.310 3.006 3.392 1.00 0.00 H new ATOM 0 HA LEU A 37 7.206 1.471 1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.582 4.163 1.267 1.00 0.00 H new ATOM 0 HB3 LEU A 37 8.100 3.363 -0.216 1.00 0.00 H new ATOM 0 HG LEU A 37 6.190 4.179 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.490 5.980 0.458 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.196 6.144 0.940 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.783 5.510 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.449 3.779 0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.701 3.222 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.380 2.304 0.641 1.00 0.00 H new ATOM 225 N THR A 38 9.392 0.527 0.421 1.00 0.00 N ATOM 226 CA THR A 38 10.600 -0.258 0.197 1.00 0.00 C ATOM 227 C THR A 38 11.741 0.573 -0.390 1.00 0.00 C ATOM 228 O THR A 38 11.535 1.671 -0.908 1.00 0.00 O ATOM 229 CB THR A 38 10.303 -1.438 -0.739 1.00 0.00 C ATOM 230 OG1 THR A 38 9.667 -0.960 -1.932 1.00 0.00 O ATOM 231 CG2 THR A 38 9.412 -2.458 -0.045 1.00 0.00 C ATOM 0 H THR A 38 8.600 0.245 -0.157 1.00 0.00 H new ATOM 0 HA THR A 38 10.920 -0.622 1.173 1.00 0.00 H new ATOM 0 HB THR A 38 11.243 -1.924 -1.002 1.00 0.00 H new ATOM 0 HG1 THR A 38 10.349 -0.725 -2.595 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.212 -3.287 -0.723 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.914 -2.832 0.847 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.471 -1.986 0.239 1.00 0.00 H new ATOM 239 N ARG A 39 12.947 0.015 -0.317 1.00 0.00 N ATOM 240 CA ARG A 39 14.161 0.689 -0.776 1.00 0.00 C ATOM 241 C ARG A 39 14.281 0.643 -2.301 1.00 0.00 C ATOM 242 O ARG A 39 15.338 0.320 -2.848 1.00 0.00 O ATOM 243 CB ARG A 39 15.394 0.053 -0.112 1.00 0.00 C ATOM 244 CG ARG A 39 15.526 -1.450 -0.347 1.00 0.00 C ATOM 245 CD ARG A 39 16.606 -2.064 0.526 1.00 0.00 C ATOM 246 NE ARG A 39 16.729 -3.504 0.311 1.00 0.00 N ATOM 247 CZ ARG A 39 16.780 -4.405 1.291 1.00 0.00 C ATOM 248 NH1 ARG A 39 16.689 -4.017 2.558 1.00 0.00 N ATOM 249 NH2 ARG A 39 16.926 -5.688 1.006 1.00 0.00 N ATOM 0 H ARG A 39 13.111 -0.918 0.062 1.00 0.00 H new ATOM 0 HA ARG A 39 14.103 1.738 -0.485 1.00 0.00 H new ATOM 0 HB2 ARG A 39 16.290 0.548 -0.486 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.352 0.239 0.961 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.572 -1.935 -0.141 1.00 0.00 H new ATOM 0 HG3 ARG A 39 15.758 -1.635 -1.396 1.00 0.00 H new ATOM 0 HD2 ARG A 39 17.561 -1.583 0.314 1.00 0.00 H new ATOM 0 HD3 ARG A 39 16.378 -1.872 1.574 1.00 0.00 H new ATOM 0 HE ARG A 39 16.779 -3.841 -0.650 1.00 0.00 H new ATOM 0 HH11 ARG A 39 16.580 -3.028 2.782 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.728 -4.708 3.307 1.00 0.00 H new ATOM 0 HH21 ARG A 39 17.000 -5.989 0.034 1.00 0.00 H new ATOM 0 HH22 ARG A 39 16.965 -6.376 1.758 1.00 0.00 H new ATOM 262 N SER A 40 13.192 0.974 -2.974 1.00 0.00 N ATOM 263 CA SER A 40 13.149 0.989 -4.426 1.00 0.00 C ATOM 264 C SER A 40 13.835 2.242 -4.959 1.00 0.00 C ATOM 265 O SER A 40 14.871 2.169 -5.624 1.00 0.00 O ATOM 266 CB SER A 40 11.693 0.944 -4.889 1.00 0.00 C ATOM 267 OG SER A 40 10.996 -0.112 -4.250 1.00 0.00 O ATOM 0 H SER A 40 12.313 1.240 -2.529 1.00 0.00 H new ATOM 0 HA SER A 40 13.676 0.117 -4.813 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.206 1.894 -4.668 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.654 0.810 -5.970 1.00 0.00 H new ATOM 0 HG SER A 40 10.032 0.058 -4.295 1.00 0.00 H new ATOM 273 N ASN A 41 13.255 3.392 -4.651 1.00 0.00 N ATOM 274 CA ASN A 41 13.835 4.666 -5.048 1.00 0.00 C ATOM 275 C ASN A 41 14.197 5.466 -3.812 1.00 0.00 C ATOM 276 O ASN A 41 15.369 5.721 -3.541 1.00 0.00 O ATOM 277 CB ASN A 41 12.865 5.465 -5.922 1.00 0.00 C ATOM 278 CG ASN A 41 12.588 4.798 -7.254 1.00 0.00 C ATOM 279 OD1 ASN A 41 13.422 4.061 -7.779 1.00 0.00 O ATOM 280 ND2 ASN A 41 11.416 5.055 -7.812 1.00 0.00 N ATOM 0 H ASN A 41 12.383 3.469 -4.127 1.00 0.00 H new ATOM 0 HA ASN A 41 14.733 4.469 -5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.926 5.598 -5.386 1.00 0.00 H new ATOM 0 HB3 ASN A 41 13.276 6.459 -6.097 1.00 0.00 H new ATOM 0 HD21 ASN A 41 11.176 4.636 -8.711 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.752 5.672 -7.344 1.00 0.00 H new ATOM 287 N SER A 42 13.176 5.826 -3.055 1.00 0.00 N ATOM 288 CA SER A 42 13.341 6.559 -1.816 1.00 0.00 C ATOM 289 C SER A 42 12.245 6.129 -0.856 1.00 0.00 C ATOM 290 O SER A 42 11.345 5.382 -1.240 1.00 0.00 O ATOM 291 CB SER A 42 13.250 8.062 -2.075 1.00 0.00 C ATOM 292 OG SER A 42 14.211 8.485 -3.028 1.00 0.00 O ATOM 0 H SER A 42 12.205 5.616 -3.285 1.00 0.00 H new ATOM 0 HA SER A 42 14.320 6.346 -1.387 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.250 8.311 -2.430 1.00 0.00 H new ATOM 0 HB3 SER A 42 13.400 8.603 -1.141 1.00 0.00 H new ATOM 0 HG SER A 42 14.410 9.435 -2.892 1.00 0.00 H new ATOM 298 N LYS A 43 12.294 6.616 0.373 1.00 0.00 N ATOM 299 CA LYS A 43 11.283 6.260 1.363 1.00 0.00 C ATOM 300 C LYS A 43 9.995 7.033 1.107 1.00 0.00 C ATOM 301 O LYS A 43 9.063 6.986 1.900 1.00 0.00 O ATOM 302 CB LYS A 43 11.779 6.529 2.788 1.00 0.00 C ATOM 303 CG LYS A 43 13.077 5.816 3.138 1.00 0.00 C ATOM 304 CD LYS A 43 13.036 4.341 2.769 1.00 0.00 C ATOM 305 CE LYS A 43 14.326 3.631 3.149 1.00 0.00 C ATOM 306 NZ LYS A 43 15.532 4.390 2.712 1.00 0.00 N ATOM 0 H LYS A 43 13.015 7.254 0.710 1.00 0.00 H new ATOM 0 HA LYS A 43 11.086 5.192 1.267 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.920 7.602 2.916 1.00 0.00 H new ATOM 0 HB3 LYS A 43 11.007 6.223 3.494 1.00 0.00 H new ATOM 0 HG2 LYS A 43 13.906 6.297 2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 43 13.269 5.917 4.206 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.196 3.863 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.866 4.238 1.697 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.358 3.491 4.230 1.00 0.00 H new ATOM 0 HE3 LYS A 43 14.340 2.639 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 16.364 3.766 2.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 15.391 4.736 1.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.684 5.198 3.349 1.00 0.00 H new ATOM 319 N CYS A 44 9.958 7.751 -0.006 1.00 0.00 N ATOM 320 CA CYS A 44 8.776 8.500 -0.386 1.00 0.00 C ATOM 321 C CYS A 44 8.080 7.850 -1.581 1.00 0.00 C ATOM 322 O CYS A 44 6.987 8.254 -1.956 1.00 0.00 O ATOM 323 CB CYS A 44 9.145 9.949 -0.707 1.00 0.00 C ATOM 324 SG CYS A 44 9.967 10.824 0.666 1.00 0.00 S ATOM 0 H CYS A 44 10.736 7.829 -0.661 1.00 0.00 H new ATOM 0 HA CYS A 44 8.083 8.494 0.455 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.801 9.962 -1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.240 10.492 -0.981 1.00 0.00 H new ATOM 329 N GLN A 45 8.709 6.836 -2.172 1.00 0.00 N ATOM 330 CA GLN A 45 8.107 6.123 -3.296 1.00 0.00 C ATOM 331 C GLN A 45 8.665 4.708 -3.422 1.00 0.00 C ATOM 332 O GLN A 45 9.869 4.508 -3.620 1.00 0.00 O ATOM 333 CB GLN A 45 8.279 6.887 -4.622 1.00 0.00 C ATOM 334 CG GLN A 45 9.701 7.324 -4.945 1.00 0.00 C ATOM 335 CD GLN A 45 10.021 8.723 -4.442 1.00 0.00 C ATOM 336 OE1 GLN A 45 11.168 9.035 -4.127 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.010 9.572 -4.362 1.00 0.00 N ATOM 0 H GLN A 45 9.628 6.492 -1.894 1.00 0.00 H new ATOM 0 HA GLN A 45 7.039 6.054 -3.087 1.00 0.00 H new ATOM 0 HB2 GLN A 45 7.918 6.256 -5.434 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.642 7.771 -4.597 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.402 6.616 -4.503 1.00 0.00 H new ATOM 0 HG3 GLN A 45 9.850 7.289 -6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.072 9.275 -4.633 1.00 0.00 H new ATOM 0 HE22 GLN A 45 9.168 10.523 -4.030 1.00 0.00 H new ATOM 346 N GLY A 46 7.775 3.732 -3.305 1.00 0.00 N ATOM 347 CA GLY A 46 8.160 2.336 -3.397 1.00 0.00 C ATOM 348 C GLY A 46 6.996 1.421 -3.078 1.00 0.00 C ATOM 349 O GLY A 46 5.841 1.847 -3.148 1.00 0.00 O ATOM 0 H GLY A 46 6.779 3.885 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.528 2.124 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.981 2.137 -2.708 1.00 0.00 H new ATOM 353 N GLN A 47 7.289 0.172 -2.724 1.00 0.00 N ATOM 354 CA GLN A 47 6.250 -0.793 -2.388 1.00 0.00 C ATOM 355 C GLN A 47 5.678 -0.485 -1.011 1.00 0.00 C ATOM 356 O GLN A 47 6.426 -0.271 -0.055 1.00 0.00 O ATOM 357 CB GLN A 47 6.805 -2.222 -2.401 1.00 0.00 C ATOM 358 CG GLN A 47 7.361 -2.658 -3.746 1.00 0.00 C ATOM 359 CD GLN A 47 8.103 -3.984 -3.680 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.695 -4.331 -2.662 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.074 -4.737 -4.768 1.00 0.00 N ATOM 0 H GLN A 47 8.239 -0.194 -2.663 1.00 0.00 H new ATOM 0 HA GLN A 47 5.462 -0.717 -3.137 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.592 -2.302 -1.651 1.00 0.00 H new ATOM 0 HB3 GLN A 47 6.013 -2.911 -2.106 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.543 -2.741 -4.462 1.00 0.00 H new ATOM 0 HG3 GLN A 47 8.036 -1.888 -4.121 1.00 0.00 H new ATOM 0 HE21 GLN A 47 7.572 -4.417 -5.596 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.554 -5.637 -4.778 1.00 0.00 H new ATOM 370 N LEU A 48 4.359 -0.448 -0.917 1.00 0.00 N ATOM 371 CA LEU A 48 3.701 -0.175 0.351 1.00 0.00 C ATOM 372 C LEU A 48 3.593 -1.438 1.197 1.00 0.00 C ATOM 373 O LEU A 48 2.786 -2.327 0.909 1.00 0.00 O ATOM 374 CB LEU A 48 2.306 0.416 0.120 1.00 0.00 C ATOM 375 CG LEU A 48 1.533 0.781 1.393 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.246 1.879 2.165 1.00 0.00 C ATOM 377 CD2 LEU A 48 0.116 1.207 1.048 1.00 0.00 C ATOM 0 H LEU A 48 3.724 -0.603 -1.700 1.00 0.00 H new ATOM 0 HA LEU A 48 4.310 0.551 0.889 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.405 1.311 -0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.716 -0.300 -0.452 1.00 0.00 H new ATOM 0 HG LEU A 48 1.486 -0.103 2.028 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.678 2.120 3.063 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.242 1.538 2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.330 2.768 1.540 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.420 1.463 1.962 1.00 0.00 H new ATOM 0 HD22 LEU A 48 0.147 2.076 0.390 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.397 0.388 0.544 1.00 0.00 H new ATOM 389 N GLU A 49 4.417 -1.518 2.231 1.00 0.00 N ATOM 390 CA GLU A 49 4.305 -2.586 3.209 1.00 0.00 C ATOM 391 C GLU A 49 3.734 -2.043 4.504 1.00 0.00 C ATOM 392 O GLU A 49 4.214 -1.042 5.040 1.00 0.00 O ATOM 393 CB GLU A 49 5.652 -3.256 3.487 1.00 0.00 C ATOM 394 CG GLU A 49 6.088 -4.251 2.426 1.00 0.00 C ATOM 395 CD GLU A 49 7.268 -5.084 2.877 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.395 -4.552 2.919 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.073 -6.273 3.204 1.00 0.00 O ATOM 0 H GLU A 49 5.170 -0.855 2.413 1.00 0.00 H new ATOM 0 HA GLU A 49 3.637 -3.340 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.416 -2.484 3.580 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.598 -3.768 4.448 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.253 -4.908 2.181 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.350 -3.716 1.514 1.00 0.00 H new ATOM 404 N VAL A 50 2.698 -2.694 4.994 1.00 0.00 N ATOM 405 CA VAL A 50 2.064 -2.287 6.234 1.00 0.00 C ATOM 406 C VAL A 50 2.358 -3.298 7.335 1.00 0.00 C ATOM 407 O VAL A 50 2.491 -4.495 7.071 1.00 0.00 O ATOM 408 CB VAL A 50 0.537 -2.119 6.067 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.227 -1.055 5.023 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.120 -3.439 5.692 1.00 0.00 C ATOM 0 H VAL A 50 2.275 -3.510 4.551 1.00 0.00 H new ATOM 0 HA VAL A 50 2.479 -1.318 6.512 1.00 0.00 H new ATOM 0 HB VAL A 50 0.127 -1.797 7.024 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.853 -0.951 4.919 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.655 -0.103 5.336 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.657 -1.349 4.065 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.194 -3.292 5.581 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.296 -3.798 4.751 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.067 -4.174 6.475 1.00 0.00 H new ATOM 420 N TYR A 51 2.481 -2.810 8.558 1.00 0.00 N ATOM 421 CA TYR A 51 2.797 -3.659 9.694 1.00 0.00 C ATOM 422 C TYR A 51 1.524 -4.064 10.418 1.00 0.00 C ATOM 423 O TYR A 51 1.047 -3.359 11.305 1.00 0.00 O ATOM 424 CB TYR A 51 3.739 -2.929 10.655 1.00 0.00 C ATOM 425 CG TYR A 51 4.362 -3.813 11.719 1.00 0.00 C ATOM 426 CD1 TYR A 51 5.474 -4.595 11.432 1.00 0.00 C ATOM 427 CD2 TYR A 51 3.852 -3.853 13.015 1.00 0.00 C ATOM 428 CE1 TYR A 51 6.060 -5.390 12.398 1.00 0.00 C ATOM 429 CE2 TYR A 51 4.438 -4.644 13.988 1.00 0.00 C ATOM 430 CZ TYR A 51 5.540 -5.410 13.674 1.00 0.00 C ATOM 431 OH TYR A 51 6.133 -6.189 14.642 1.00 0.00 O ATOM 0 H TYR A 51 2.366 -1.823 8.790 1.00 0.00 H new ATOM 0 HA TYR A 51 3.295 -4.558 9.329 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.536 -2.461 10.077 1.00 0.00 H new ATOM 0 HB3 TYR A 51 3.187 -2.127 11.145 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.888 -4.581 10.435 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.986 -3.258 13.264 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.922 -5.993 12.154 1.00 0.00 H new ATOM 0 HE2 TYR A 51 4.033 -4.661 14.989 1.00 0.00 H new ATOM 0 HH TYR A 51 5.645 -6.089 15.486 1.00 0.00 H new ATOM 441 N LEU A 52 0.965 -5.190 10.015 1.00 0.00 N ATOM 442 CA LEU A 52 -0.199 -5.734 10.692 1.00 0.00 C ATOM 443 C LEU A 52 0.265 -6.682 11.791 1.00 0.00 C ATOM 444 O LEU A 52 1.466 -6.775 12.053 1.00 0.00 O ATOM 445 CB LEU A 52 -1.122 -6.450 9.696 1.00 0.00 C ATOM 446 CG LEU A 52 -1.636 -5.592 8.533 1.00 0.00 C ATOM 447 CD1 LEU A 52 -2.530 -6.417 7.621 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.387 -4.370 9.046 1.00 0.00 C ATOM 0 H LEU A 52 1.296 -5.744 9.225 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.773 -4.922 11.140 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.588 -7.306 9.284 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.980 -6.843 10.241 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.775 -5.246 7.961 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.887 -5.794 6.801 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.964 -7.257 7.219 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.382 -6.792 8.189 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.741 -3.779 8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.239 -4.692 9.646 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.720 -3.764 9.659 1.00 0.00 H new ATOM 460 N LYS A 53 -0.652 -7.393 12.430 1.00 0.00 N ATOM 461 CA LYS A 53 -0.275 -8.286 13.517 1.00 0.00 C ATOM 462 C LYS A 53 0.563 -9.447 12.975 1.00 0.00 C ATOM 463 O LYS A 53 1.400 -10.013 13.682 1.00 0.00 O ATOM 464 CB LYS A 53 -1.520 -8.798 14.247 1.00 0.00 C ATOM 465 CG LYS A 53 -1.212 -9.463 15.576 1.00 0.00 C ATOM 466 CD LYS A 53 -2.481 -9.769 16.350 1.00 0.00 C ATOM 467 CE LYS A 53 -2.176 -10.334 17.729 1.00 0.00 C ATOM 468 NZ LYS A 53 -1.416 -9.371 18.572 1.00 0.00 N ATOM 0 H LYS A 53 -1.650 -7.371 12.219 1.00 0.00 H new ATOM 0 HA LYS A 53 0.330 -7.733 14.236 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.201 -7.964 14.416 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.041 -9.509 13.606 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.658 -10.386 15.403 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -0.570 -8.812 16.170 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.073 -8.860 16.452 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.086 -10.482 15.790 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.109 -10.595 18.228 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.603 -11.255 17.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.476 -9.660 19.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.420 -9.360 18.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.820 -8.419 18.462 1.00 0.00 H new ATOM 481 N ASP A 54 0.344 -9.771 11.706 1.00 0.00 N ATOM 482 CA ASP A 54 1.125 -10.800 11.014 1.00 0.00 C ATOM 483 C ASP A 54 2.504 -10.285 10.610 1.00 0.00 C ATOM 484 O ASP A 54 3.332 -11.048 10.116 1.00 0.00 O ATOM 485 CB ASP A 54 0.394 -11.298 9.761 1.00 0.00 C ATOM 486 CG ASP A 54 -0.779 -12.201 10.077 1.00 0.00 C ATOM 487 OD1 ASP A 54 -1.842 -11.683 10.472 1.00 0.00 O ATOM 488 OD2 ASP A 54 -0.640 -13.436 9.937 1.00 0.00 O ATOM 0 H ASP A 54 -0.374 -9.334 11.128 1.00 0.00 H new ATOM 0 HA ASP A 54 1.247 -11.624 11.717 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.041 -10.440 9.189 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.098 -11.836 9.127 1.00 0.00 H new ATOM 493 N GLY A 55 2.747 -8.996 10.805 1.00 0.00 N ATOM 494 CA GLY A 55 4.023 -8.414 10.427 1.00 0.00 C ATOM 495 C GLY A 55 3.929 -7.617 9.142 1.00 0.00 C ATOM 496 O GLY A 55 2.825 -7.380 8.638 1.00 0.00 O ATOM 0 H GLY A 55 2.084 -8.341 11.219 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.377 -7.767 11.229 1.00 0.00 H new ATOM 0 HA3 GLY A 55 4.761 -9.207 10.308 1.00 0.00 H new ATOM 500 N TRP A 56 5.078 -7.215 8.605 1.00 0.00 N ATOM 501 CA TRP A 56 5.119 -6.423 7.378 1.00 0.00 C ATOM 502 C TRP A 56 4.567 -7.218 6.202 1.00 0.00 C ATOM 503 O TRP A 56 4.921 -8.382 6.004 1.00 0.00 O ATOM 504 CB TRP A 56 6.550 -5.974 7.058 1.00 0.00 C ATOM 505 CG TRP A 56 7.129 -5.006 8.050 1.00 0.00 C ATOM 506 CD1 TRP A 56 8.097 -5.262 8.980 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.780 -3.623 8.207 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.370 -4.125 9.702 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.573 -3.106 9.249 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.876 -2.772 7.568 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.485 -1.779 9.664 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.789 -1.459 7.983 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.589 -0.972 9.020 1.00 0.00 C ATOM 0 H TRP A 56 5.994 -7.425 9.001 1.00 0.00 H new ATOM 0 HA TRP A 56 4.499 -5.541 7.539 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.192 -6.853 7.008 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.562 -5.515 6.070 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.577 -6.218 9.126 1.00 0.00 H new ATOM 0 HE1 TRP A 56 9.055 -4.051 10.454 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.255 -3.135 6.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.102 -1.401 10.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.089 -0.795 7.497 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.498 0.062 9.318 1.00 0.00 H new ATOM 524 N HIS A 57 3.685 -6.597 5.435 1.00 0.00 N ATOM 525 CA HIS A 57 3.107 -7.243 4.266 1.00 0.00 C ATOM 526 C HIS A 57 2.905 -6.251 3.133 1.00 0.00 C ATOM 527 O HIS A 57 2.466 -5.120 3.353 1.00 0.00 O ATOM 528 CB HIS A 57 1.779 -7.917 4.617 1.00 0.00 C ATOM 529 CG HIS A 57 1.941 -9.253 5.274 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.066 -9.415 6.639 1.00 0.00 N ATOM 531 CD2 HIS A 57 1.998 -10.496 4.743 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.193 -10.699 6.917 1.00 0.00 C ATOM 533 NE2 HIS A 57 2.153 -11.377 5.785 1.00 0.00 N ATOM 0 H HIS A 57 3.353 -5.647 5.600 1.00 0.00 H new ATOM 0 HA HIS A 57 3.809 -8.007 3.932 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.212 -7.262 5.279 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.191 -8.037 3.707 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.061 -8.661 7.325 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.934 -10.748 3.695 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.310 -11.123 7.903 1.00 0.00 H new ATOM 541 N MET A 58 3.233 -6.690 1.927 1.00 0.00 N ATOM 542 CA MET A 58 3.104 -5.867 0.734 1.00 0.00 C ATOM 543 C MET A 58 1.648 -5.777 0.315 1.00 0.00 C ATOM 544 O MET A 58 0.997 -6.798 0.114 1.00 0.00 O ATOM 545 CB MET A 58 3.918 -6.473 -0.412 1.00 0.00 C ATOM 546 CG MET A 58 5.394 -6.659 -0.098 1.00 0.00 C ATOM 547 SD MET A 58 6.250 -7.641 -1.348 1.00 0.00 S ATOM 548 CE MET A 58 5.872 -6.710 -2.830 1.00 0.00 C ATOM 0 H MET A 58 3.596 -7.626 1.748 1.00 0.00 H new ATOM 0 HA MET A 58 3.479 -4.869 0.961 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.489 -7.440 -0.675 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.823 -5.833 -1.289 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.871 -5.682 -0.019 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.497 -7.143 0.873 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.535 -7.025 -3.636 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.837 -6.891 -3.119 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.014 -5.647 -2.638 1.00 0.00 H new ATOM 558 N VAL A 59 1.136 -4.566 0.183 1.00 0.00 N ATOM 559 CA VAL A 59 -0.234 -4.383 -0.264 1.00 0.00 C ATOM 560 C VAL A 59 -0.303 -4.545 -1.777 1.00 0.00 C ATOM 561 O VAL A 59 0.457 -3.914 -2.515 1.00 0.00 O ATOM 562 CB VAL A 59 -0.796 -3.001 0.139 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.242 -2.847 -0.319 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.692 -2.791 1.642 1.00 0.00 C ATOM 0 H VAL A 59 1.642 -3.702 0.377 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.846 -5.142 0.223 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.195 -2.239 -0.358 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.615 -1.866 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.292 -2.943 -1.404 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.854 -3.622 0.142 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.094 -1.811 1.901 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.261 -3.565 2.158 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.353 -2.846 1.946 1.00 0.00 H new ATOM 574 N CYS A 60 -1.189 -5.413 -2.236 1.00 0.00 N ATOM 575 CA CYS A 60 -1.346 -5.651 -3.660 1.00 0.00 C ATOM 576 C CYS A 60 -2.301 -4.615 -4.248 1.00 0.00 C ATOM 577 O CYS A 60 -3.348 -4.337 -3.665 1.00 0.00 O ATOM 578 CB CYS A 60 -1.861 -7.073 -3.904 1.00 0.00 C ATOM 579 SG CYS A 60 -1.416 -7.758 -5.530 1.00 0.00 S ATOM 0 H CYS A 60 -1.810 -5.964 -1.643 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.379 -5.554 -4.154 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.468 -7.728 -3.126 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.947 -7.076 -3.805 1.00 0.00 H new ATOM 584 N SER A 61 -1.924 -4.042 -5.389 1.00 0.00 N ATOM 585 CA SER A 61 -2.621 -2.893 -5.971 1.00 0.00 C ATOM 586 C SER A 61 -4.140 -3.076 -6.042 1.00 0.00 C ATOM 587 O SER A 61 -4.889 -2.246 -5.522 1.00 0.00 O ATOM 588 CB SER A 61 -2.067 -2.608 -7.366 1.00 0.00 C ATOM 589 OG SER A 61 -0.656 -2.470 -7.333 1.00 0.00 O ATOM 0 H SER A 61 -1.126 -4.360 -5.938 1.00 0.00 H new ATOM 0 HA SER A 61 -2.440 -2.047 -5.308 1.00 0.00 H new ATOM 0 HB2 SER A 61 -2.341 -3.417 -8.043 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.516 -1.697 -7.761 1.00 0.00 H new ATOM 0 HG SER A 61 -0.342 -2.539 -6.407 1.00 0.00 H new ATOM 595 N GLN A 62 -4.591 -4.158 -6.671 1.00 0.00 N ATOM 596 CA GLN A 62 -6.019 -4.366 -6.892 1.00 0.00 C ATOM 597 C GLN A 62 -6.709 -4.933 -5.644 1.00 0.00 C ATOM 598 O GLN A 62 -7.342 -5.990 -5.677 1.00 0.00 O ATOM 599 CB GLN A 62 -6.269 -5.251 -8.132 1.00 0.00 C ATOM 600 CG GLN A 62 -5.736 -6.678 -8.054 1.00 0.00 C ATOM 601 CD GLN A 62 -4.222 -6.780 -8.104 1.00 0.00 C ATOM 602 OE1 GLN A 62 -3.535 -5.945 -8.700 1.00 0.00 O ATOM 603 NE2 GLN A 62 -3.695 -7.823 -7.488 1.00 0.00 N ATOM 0 H GLN A 62 -3.993 -4.900 -7.035 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.466 -3.391 -7.089 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.343 -5.295 -8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.821 -4.764 -8.998 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.090 -7.136 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.155 -7.256 -8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.299 -8.490 -7.007 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.684 -7.962 -7.493 1.00 0.00 H new ATOM 612 N SER A 63 -6.576 -4.210 -4.541 1.00 0.00 N ATOM 613 CA SER A 63 -7.263 -4.552 -3.307 1.00 0.00 C ATOM 614 C SER A 63 -8.475 -3.645 -3.112 1.00 0.00 C ATOM 615 O SER A 63 -8.537 -2.556 -3.693 1.00 0.00 O ATOM 616 CB SER A 63 -6.321 -4.413 -2.107 1.00 0.00 C ATOM 617 OG SER A 63 -5.288 -5.384 -2.149 1.00 0.00 O ATOM 0 H SER A 63 -5.993 -3.376 -4.478 1.00 0.00 H new ATOM 0 HA SER A 63 -7.594 -5.588 -3.377 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.884 -3.414 -2.098 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.888 -4.521 -1.182 1.00 0.00 H new ATOM 0 HG SER A 63 -4.622 -5.124 -2.819 1.00 0.00 H new ATOM 623 N TRP A 64 -9.418 -4.100 -2.287 1.00 0.00 N ATOM 624 CA TRP A 64 -10.636 -3.354 -1.960 1.00 0.00 C ATOM 625 C TRP A 64 -11.482 -3.080 -3.204 1.00 0.00 C ATOM 626 O TRP A 64 -12.409 -3.829 -3.519 1.00 0.00 O ATOM 627 CB TRP A 64 -10.298 -2.034 -1.250 1.00 0.00 C ATOM 628 CG TRP A 64 -9.494 -2.214 0.002 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.915 -2.773 1.172 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.132 -1.824 0.211 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.902 -2.750 2.099 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.795 -2.177 1.532 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.165 -1.213 -0.590 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.530 -1.937 2.065 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -5.912 -0.977 -0.059 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.604 -1.340 1.256 1.00 0.00 C ATOM 0 H TRP A 64 -9.358 -5.006 -1.822 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.222 -3.977 -1.284 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.746 -1.393 -1.937 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.225 -1.515 -1.005 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.902 -3.176 1.345 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.964 -3.102 3.054 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.393 -0.930 -1.607 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.290 -2.213 3.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.157 -0.504 -0.670 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.614 -1.145 1.640 1.00 0.00 H new ATOM 647 N GLY A 65 -11.154 -2.009 -3.907 1.00 0.00 N ATOM 648 CA GLY A 65 -11.877 -1.655 -5.108 1.00 0.00 C ATOM 649 C GLY A 65 -11.014 -0.898 -6.097 1.00 0.00 C ATOM 650 O GLY A 65 -11.513 -0.050 -6.842 1.00 0.00 O ATOM 0 H GLY A 65 -10.394 -1.374 -3.665 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.258 -2.561 -5.580 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.741 -1.046 -4.843 1.00 0.00 H new ATOM 654 N ARG A 66 -9.718 -1.192 -6.107 1.00 0.00 N ATOM 655 CA ARG A 66 -8.800 -0.528 -7.019 1.00 0.00 C ATOM 656 C ARG A 66 -8.526 -1.396 -8.235 1.00 0.00 C ATOM 657 O ARG A 66 -8.309 -2.601 -8.120 1.00 0.00 O ATOM 658 CB ARG A 66 -7.493 -0.157 -6.313 1.00 0.00 C ATOM 659 CG ARG A 66 -7.571 1.173 -5.576 1.00 0.00 C ATOM 660 CD ARG A 66 -7.786 2.327 -6.549 1.00 0.00 C ATOM 661 NE ARG A 66 -8.061 3.592 -5.867 1.00 0.00 N ATOM 662 CZ ARG A 66 -9.237 4.214 -5.931 1.00 0.00 C ATOM 663 NH1 ARG A 66 -10.241 3.648 -6.582 1.00 0.00 N ATOM 664 NH2 ARG A 66 -9.416 5.394 -5.355 1.00 0.00 N ATOM 0 H ARG A 66 -9.283 -1.883 -5.496 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.273 0.394 -7.357 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.233 -0.944 -5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -6.690 -0.112 -7.048 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -8.387 1.145 -4.854 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -6.652 1.335 -5.012 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -6.900 2.440 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -8.617 2.088 -7.213 1.00 0.00 H new ATOM 0 HE ARG A 66 -7.316 4.018 -5.316 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.111 2.741 -7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -11.144 4.119 -6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -8.647 5.839 -4.854 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.323 5.858 -5.413 1.00 0.00 H new ATOM 677 N SER A 67 -8.568 -0.773 -9.397 1.00 0.00 N ATOM 678 CA SER A 67 -8.355 -1.465 -10.650 1.00 0.00 C ATOM 679 C SER A 67 -7.054 -0.996 -11.303 1.00 0.00 C ATOM 680 O SER A 67 -6.327 -0.176 -10.741 1.00 0.00 O ATOM 681 CB SER A 67 -9.556 -1.232 -11.566 1.00 0.00 C ATOM 682 OG SER A 67 -9.954 0.128 -11.551 1.00 0.00 O ATOM 0 H SER A 67 -8.751 0.226 -9.497 1.00 0.00 H new ATOM 0 HA SER A 67 -8.261 -2.535 -10.467 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.304 -1.529 -12.584 1.00 0.00 H new ATOM 0 HB3 SER A 67 -10.387 -1.861 -11.247 1.00 0.00 H new ATOM 0 HG SER A 67 -10.723 0.250 -12.146 1.00 0.00 H new ATOM 688 N SER A 68 -6.772 -1.515 -12.490 1.00 0.00 N ATOM 689 CA SER A 68 -5.487 -1.303 -13.145 1.00 0.00 C ATOM 690 C SER A 68 -5.414 0.029 -13.898 1.00 0.00 C ATOM 691 O SER A 68 -5.186 0.057 -15.111 1.00 0.00 O ATOM 692 CB SER A 68 -5.222 -2.469 -14.095 1.00 0.00 C ATOM 693 OG SER A 68 -6.411 -2.841 -14.778 1.00 0.00 O ATOM 0 H SER A 68 -7.422 -2.091 -13.024 1.00 0.00 H new ATOM 0 HA SER A 68 -4.719 -1.257 -12.373 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.455 -2.189 -14.817 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.837 -3.321 -13.534 1.00 0.00 H new ATOM 0 HG SER A 68 -6.221 -3.588 -15.383 1.00 0.00 H new ATOM 699 N LYS A 69 -5.607 1.124 -13.173 1.00 0.00 N ATOM 700 CA LYS A 69 -5.419 2.465 -13.717 1.00 0.00 C ATOM 701 C LYS A 69 -5.353 3.469 -12.570 1.00 0.00 C ATOM 702 O LYS A 69 -5.922 3.236 -11.503 1.00 0.00 O ATOM 703 CB LYS A 69 -6.543 2.848 -14.704 1.00 0.00 C ATOM 704 CG LYS A 69 -7.870 3.239 -14.057 1.00 0.00 C ATOM 705 CD LYS A 69 -8.588 2.045 -13.456 1.00 0.00 C ATOM 706 CE LYS A 69 -9.042 1.058 -14.521 1.00 0.00 C ATOM 707 NZ LYS A 69 -10.091 1.632 -15.406 1.00 0.00 N ATOM 0 H LYS A 69 -5.897 1.109 -12.195 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.483 2.480 -14.275 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -6.198 3.679 -15.318 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.718 2.007 -15.375 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -7.689 3.981 -13.279 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.511 3.709 -14.803 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.926 1.540 -12.752 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -9.453 2.390 -12.889 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.185 0.756 -15.124 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -9.426 0.158 -14.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.514 0.874 -15.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.828 2.080 -14.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.665 2.344 -16.033 1.00 0.00 H new ATOM 720 N GLN A 70 -4.637 4.565 -12.781 1.00 0.00 N ATOM 721 CA GLN A 70 -4.509 5.594 -11.761 1.00 0.00 C ATOM 722 C GLN A 70 -5.823 6.349 -11.609 1.00 0.00 C ATOM 723 O GLN A 70 -6.370 6.864 -12.590 1.00 0.00 O ATOM 724 CB GLN A 70 -3.386 6.574 -12.115 1.00 0.00 C ATOM 725 CG GLN A 70 -3.222 7.698 -11.100 1.00 0.00 C ATOM 726 CD GLN A 70 -2.204 8.737 -11.526 1.00 0.00 C ATOM 727 OE1 GLN A 70 -1.023 8.641 -11.200 1.00 0.00 O ATOM 728 NE2 GLN A 70 -2.658 9.737 -12.263 1.00 0.00 N ATOM 0 H GLN A 70 -4.137 4.763 -13.648 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.262 5.109 -10.817 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.447 6.026 -12.194 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.586 7.006 -13.095 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.185 8.184 -10.945 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.921 7.274 -10.142 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.646 9.779 -12.512 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.020 10.466 -12.583 1.00 0.00 H new ATOM 737 N TRP A 71 -6.323 6.411 -10.383 1.00 0.00 N ATOM 738 CA TRP A 71 -7.574 7.099 -10.100 1.00 0.00 C ATOM 739 C TRP A 71 -7.303 8.586 -9.882 1.00 0.00 C ATOM 740 O TRP A 71 -6.172 8.967 -9.572 1.00 0.00 O ATOM 741 CB TRP A 71 -8.249 6.484 -8.865 1.00 0.00 C ATOM 742 CG TRP A 71 -9.714 6.788 -8.757 1.00 0.00 C ATOM 743 CD1 TRP A 71 -10.290 7.848 -8.122 1.00 0.00 C ATOM 744 CD2 TRP A 71 -10.789 6.013 -9.298 1.00 0.00 C ATOM 745 NE1 TRP A 71 -11.656 7.784 -8.243 1.00 0.00 N ATOM 746 CE2 TRP A 71 -11.987 6.664 -8.956 1.00 0.00 C ATOM 747 CE3 TRP A 71 -10.853 4.830 -10.040 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -13.235 6.172 -9.333 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -12.093 4.344 -10.410 1.00 0.00 C ATOM 750 CH2 TRP A 71 -13.268 5.014 -10.057 1.00 0.00 C ATOM 0 H TRP A 71 -5.879 5.991 -9.566 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.248 6.985 -10.949 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.113 5.403 -8.890 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.746 6.848 -7.969 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -9.751 8.625 -7.600 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -12.317 8.462 -7.863 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.951 4.306 -10.319 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -14.144 6.688 -9.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -12.155 3.430 -10.982 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -14.221 4.608 -10.363 1.00 0.00 H new ATOM 761 N GLU A 72 -8.322 9.422 -10.048 1.00 0.00 N ATOM 762 CA GLU A 72 -8.153 10.868 -9.899 1.00 0.00 C ATOM 763 C GLU A 72 -7.673 11.260 -8.500 1.00 0.00 C ATOM 764 O GLU A 72 -6.856 12.173 -8.357 1.00 0.00 O ATOM 765 CB GLU A 72 -9.452 11.608 -10.222 1.00 0.00 C ATOM 766 CG GLU A 72 -9.779 11.660 -11.702 1.00 0.00 C ATOM 767 CD GLU A 72 -10.940 12.584 -11.994 1.00 0.00 C ATOM 768 OE1 GLU A 72 -10.726 13.813 -12.036 1.00 0.00 O ATOM 769 OE2 GLU A 72 -12.075 12.092 -12.167 1.00 0.00 O ATOM 0 H GLU A 72 -9.270 9.128 -10.285 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.382 11.162 -10.611 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -10.275 11.124 -9.695 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.383 12.626 -9.839 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.902 11.994 -12.256 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.016 10.657 -12.056 1.00 0.00 H new ATOM 776 N ASP A 73 -8.163 10.575 -7.471 1.00 0.00 N ATOM 777 CA ASP A 73 -7.840 10.950 -6.096 1.00 0.00 C ATOM 778 C ASP A 73 -7.004 9.877 -5.400 1.00 0.00 C ATOM 779 O ASP A 73 -7.533 8.865 -4.933 1.00 0.00 O ATOM 780 CB ASP A 73 -9.116 11.210 -5.290 1.00 0.00 C ATOM 781 CG ASP A 73 -8.822 11.795 -3.922 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.543 11.023 -2.986 1.00 0.00 O ATOM 783 OD2 ASP A 73 -8.868 13.034 -3.778 1.00 0.00 O ATOM 0 H ASP A 73 -8.778 9.766 -7.560 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.251 11.866 -6.143 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.761 11.893 -5.844 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.666 10.276 -5.173 1.00 0.00 H new ATOM 788 N PRO A 74 -5.675 10.064 -5.361 1.00 0.00 N ATOM 789 CA PRO A 74 -4.764 9.225 -4.603 1.00 0.00 C ATOM 790 C PRO A 74 -4.344 9.876 -3.281 1.00 0.00 C ATOM 791 O PRO A 74 -3.463 9.379 -2.578 1.00 0.00 O ATOM 792 CB PRO A 74 -3.568 9.127 -5.551 1.00 0.00 C ATOM 793 CG PRO A 74 -3.621 10.360 -6.407 1.00 0.00 C ATOM 794 CD PRO A 74 -4.921 11.073 -6.107 1.00 0.00 C ATOM 0 HA PRO A 74 -5.201 8.268 -4.318 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.632 9.077 -4.995 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.625 8.225 -6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.771 11.009 -6.196 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.565 10.095 -7.463 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.761 11.976 -5.519 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.438 11.373 -7.018 1.00 0.00 H new ATOM 802 N SER A 75 -4.999 10.982 -2.945 1.00 0.00 N ATOM 803 CA SER A 75 -4.617 11.792 -1.794 1.00 0.00 C ATOM 804 C SER A 75 -5.067 11.160 -0.478 1.00 0.00 C ATOM 805 O SER A 75 -4.753 11.664 0.598 1.00 0.00 O ATOM 806 CB SER A 75 -5.213 13.192 -1.937 1.00 0.00 C ATOM 807 OG SER A 75 -5.009 13.694 -3.249 1.00 0.00 O ATOM 0 H SER A 75 -5.804 11.340 -3.459 1.00 0.00 H new ATOM 0 HA SER A 75 -3.529 11.853 -1.769 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.280 13.163 -1.716 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.755 13.863 -1.210 1.00 0.00 H new ATOM 0 HG SER A 75 -5.399 14.590 -3.321 1.00 0.00 H new ATOM 813 N GLN A 76 -5.786 10.047 -0.564 1.00 0.00 N ATOM 814 CA GLN A 76 -6.263 9.350 0.626 1.00 0.00 C ATOM 815 C GLN A 76 -5.100 8.715 1.387 1.00 0.00 C ATOM 816 O GLN A 76 -5.230 8.351 2.554 1.00 0.00 O ATOM 817 CB GLN A 76 -7.275 8.271 0.238 1.00 0.00 C ATOM 818 CG GLN A 76 -8.427 8.799 -0.598 1.00 0.00 C ATOM 819 CD GLN A 76 -9.265 9.839 0.126 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.426 9.794 1.347 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.777 10.800 -0.621 1.00 0.00 N ATOM 0 H GLN A 76 -6.052 9.607 -1.445 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.747 10.080 1.274 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.763 7.485 -0.317 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.673 7.813 1.144 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.032 9.235 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.066 7.966 -0.891 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.620 10.801 -1.629 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.329 11.542 -0.190 1.00 0.00 H new ATOM 830 N ALA A 77 -3.962 8.598 0.719 1.00 0.00 N ATOM 831 CA ALA A 77 -2.784 7.983 1.314 1.00 0.00 C ATOM 832 C ALA A 77 -1.837 9.042 1.870 1.00 0.00 C ATOM 833 O ALA A 77 -0.673 8.762 2.159 1.00 0.00 O ATOM 834 CB ALA A 77 -2.074 7.119 0.285 1.00 0.00 C ATOM 0 H ALA A 77 -3.829 8.922 -0.239 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.105 7.353 2.144 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.194 6.663 0.738 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.750 6.338 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.768 7.736 -0.560 1.00 0.00 H new ATOM 840 N SER A 78 -2.352 10.254 2.027 1.00 0.00 N ATOM 841 CA SER A 78 -1.565 11.370 2.539 1.00 0.00 C ATOM 842 C SER A 78 -1.000 11.069 3.928 1.00 0.00 C ATOM 843 O SER A 78 0.158 11.381 4.223 1.00 0.00 O ATOM 844 CB SER A 78 -2.433 12.627 2.575 1.00 0.00 C ATOM 845 OG SER A 78 -3.738 12.323 3.038 1.00 0.00 O ATOM 0 H SER A 78 -3.319 10.491 1.805 1.00 0.00 H new ATOM 0 HA SER A 78 -0.718 11.530 1.872 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.975 13.372 3.226 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.488 13.065 1.578 1.00 0.00 H new ATOM 0 HG SER A 78 -4.311 12.096 2.276 1.00 0.00 H new ATOM 851 N LYS A 79 -1.814 10.439 4.773 1.00 0.00 N ATOM 852 CA LYS A 79 -1.384 10.091 6.121 1.00 0.00 C ATOM 853 C LYS A 79 -0.195 9.130 6.079 1.00 0.00 C ATOM 854 O LYS A 79 0.681 9.187 6.941 1.00 0.00 O ATOM 855 CB LYS A 79 -2.540 9.482 6.923 1.00 0.00 C ATOM 856 CG LYS A 79 -2.217 9.276 8.397 1.00 0.00 C ATOM 857 CD LYS A 79 -1.907 10.596 9.092 1.00 0.00 C ATOM 858 CE LYS A 79 -1.440 10.385 10.527 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.489 9.765 11.384 1.00 0.00 N ATOM 0 H LYS A 79 -2.769 10.161 4.548 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.068 11.007 6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.412 10.131 6.838 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.812 8.523 6.482 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.060 8.793 8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.364 8.604 8.493 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.137 11.128 8.534 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -2.796 11.226 9.088 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.554 9.751 10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.146 11.344 10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.133 9.674 12.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -3.339 10.364 11.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.728 8.823 11.013 1.00 0.00 H new ATOM 872 N VAL A 80 -0.148 8.273 5.061 1.00 0.00 N ATOM 873 CA VAL A 80 0.967 7.343 4.901 1.00 0.00 C ATOM 874 C VAL A 80 2.247 8.108 4.585 1.00 0.00 C ATOM 875 O VAL A 80 3.293 7.864 5.187 1.00 0.00 O ATOM 876 CB VAL A 80 0.705 6.300 3.792 1.00 0.00 C ATOM 877 CG1 VAL A 80 1.928 5.410 3.595 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.517 5.455 4.122 1.00 0.00 C ATOM 0 H VAL A 80 -0.865 8.203 4.339 1.00 0.00 H new ATOM 0 HA VAL A 80 1.075 6.807 5.844 1.00 0.00 H new ATOM 0 HB VAL A 80 0.511 6.835 2.862 1.00 0.00 H new ATOM 0 HG11 VAL A 80 1.725 4.681 2.810 1.00 0.00 H new ATOM 0 HG12 VAL A 80 2.782 6.024 3.309 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.152 4.888 4.525 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.682 4.728 3.327 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -0.354 4.932 5.064 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -1.392 6.099 4.211 1.00 0.00 H new ATOM 888 N CYS A 81 2.152 9.050 3.655 1.00 0.00 N ATOM 889 CA CYS A 81 3.287 9.902 3.317 1.00 0.00 C ATOM 890 C CYS A 81 3.781 10.641 4.559 1.00 0.00 C ATOM 891 O CYS A 81 4.984 10.803 4.761 1.00 0.00 O ATOM 892 CB CYS A 81 2.895 10.909 2.234 1.00 0.00 C ATOM 893 SG CYS A 81 2.308 10.153 0.681 1.00 0.00 S ATOM 0 H CYS A 81 1.304 9.244 3.122 1.00 0.00 H new ATOM 0 HA CYS A 81 4.090 9.271 2.936 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.113 11.560 2.626 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.755 11.541 2.014 1.00 0.00 H new ATOM 898 N GLN A 82 2.842 11.066 5.399 1.00 0.00 N ATOM 899 CA GLN A 82 3.173 11.755 6.640 1.00 0.00 C ATOM 900 C GLN A 82 3.854 10.806 7.627 1.00 0.00 C ATOM 901 O GLN A 82 4.765 11.202 8.352 1.00 0.00 O ATOM 902 CB GLN A 82 1.911 12.356 7.266 1.00 0.00 C ATOM 903 CG GLN A 82 2.154 13.017 8.616 1.00 0.00 C ATOM 904 CD GLN A 82 0.892 13.588 9.231 1.00 0.00 C ATOM 905 OE1 GLN A 82 -0.019 14.065 8.397 1.00 0.00 O flip ATOM 906 NE2 GLN A 82 0.748 13.613 10.454 1.00 0.00 N flip ATOM 0 H GLN A 82 1.842 10.944 5.241 1.00 0.00 H new ATOM 0 HA GLN A 82 3.869 12.561 6.407 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.491 13.093 6.581 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.165 11.570 7.385 1.00 0.00 H new ATOM 0 HG2 GLN A 82 2.586 12.286 9.300 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.887 13.815 8.497 1.00 0.00 H new ATOM 0 HE21 GLN A 82 1.475 13.234 11.061 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -0.098 14.012 10.860 1.00 0.00 H new ATOM 915 N ARG A 83 3.415 9.550 7.640 1.00 0.00 N ATOM 916 CA ARG A 83 4.000 8.537 8.521 1.00 0.00 C ATOM 917 C ARG A 83 5.477 8.330 8.199 1.00 0.00 C ATOM 918 O ARG A 83 6.273 7.995 9.077 1.00 0.00 O ATOM 919 CB ARG A 83 3.256 7.201 8.395 1.00 0.00 C ATOM 920 CG ARG A 83 1.837 7.213 8.950 1.00 0.00 C ATOM 921 CD ARG A 83 1.819 7.201 10.472 1.00 0.00 C ATOM 922 NE ARG A 83 2.420 5.983 11.016 1.00 0.00 N ATOM 923 CZ ARG A 83 2.876 5.869 12.259 1.00 0.00 C ATOM 924 NH1 ARG A 83 2.801 6.898 13.092 1.00 0.00 N ATOM 925 NH2 ARG A 83 3.409 4.729 12.669 1.00 0.00 N ATOM 0 H ARG A 83 2.656 9.207 7.051 1.00 0.00 H new ATOM 0 HA ARG A 83 3.904 8.897 9.545 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.219 6.918 7.343 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.828 6.431 8.912 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.314 8.098 8.588 1.00 0.00 H new ATOM 0 HG3 ARG A 83 1.294 6.346 8.574 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.358 8.071 10.848 1.00 0.00 H new ATOM 0 HD3 ARG A 83 0.791 7.286 10.823 1.00 0.00 H new ATOM 0 HE ARG A 83 2.494 5.171 10.403 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.393 7.779 12.779 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.151 6.809 14.046 1.00 0.00 H new ATOM 0 HH21 ARG A 83 3.470 3.936 12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.758 4.644 13.623 1.00 0.00 H new ATOM 938 N LEU A 84 5.843 8.532 6.941 1.00 0.00 N ATOM 939 CA LEU A 84 7.233 8.385 6.524 1.00 0.00 C ATOM 940 C LEU A 84 7.913 9.744 6.369 1.00 0.00 C ATOM 941 O LEU A 84 9.035 9.835 5.869 1.00 0.00 O ATOM 942 CB LEU A 84 7.335 7.588 5.219 1.00 0.00 C ATOM 943 CG LEU A 84 7.131 6.073 5.356 1.00 0.00 C ATOM 944 CD1 LEU A 84 5.669 5.731 5.589 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.654 5.354 4.128 1.00 0.00 C ATOM 0 H LEU A 84 5.201 8.797 6.194 1.00 0.00 H new ATOM 0 HA LEU A 84 7.751 7.832 7.308 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.596 7.975 4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.316 7.767 4.779 1.00 0.00 H new ATOM 0 HG LEU A 84 7.696 5.737 6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.558 4.651 5.682 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.325 6.211 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 84 5.074 6.086 4.748 1.00 0.00 H new ATOM 0 HD21 LEU A 84 7.501 4.281 4.242 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.119 5.705 3.246 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.718 5.559 4.012 1.00 0.00 H new ATOM 957 N ASN A 85 7.218 10.791 6.818 1.00 0.00 N ATOM 958 CA ASN A 85 7.735 12.162 6.793 1.00 0.00 C ATOM 959 C ASN A 85 8.119 12.604 5.381 1.00 0.00 C ATOM 960 O ASN A 85 9.178 13.196 5.167 1.00 0.00 O ATOM 961 CB ASN A 85 8.926 12.315 7.747 1.00 0.00 C ATOM 962 CG ASN A 85 8.501 12.392 9.201 1.00 0.00 C ATOM 963 OD1 ASN A 85 7.437 12.921 9.524 1.00 0.00 O ATOM 964 ND2 ASN A 85 9.323 11.855 10.087 1.00 0.00 N ATOM 0 H ASN A 85 6.280 10.713 7.210 1.00 0.00 H new ATOM 0 HA ASN A 85 6.930 12.814 7.132 1.00 0.00 H new ATOM 0 HB2 ASN A 85 9.604 11.472 7.614 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.482 13.215 7.487 1.00 0.00 H new ATOM 0 HD21 ASN A 85 9.084 11.870 11.079 1.00 0.00 H new ATOM 0 HD22 ASN A 85 10.196 11.426 9.779 1.00 0.00 H new ATOM 971 N CYS A 86 7.248 12.320 4.428 1.00 0.00 N ATOM 972 CA CYS A 86 7.438 12.761 3.054 1.00 0.00 C ATOM 973 C CYS A 86 6.378 13.795 2.686 1.00 0.00 C ATOM 974 O CYS A 86 5.553 14.162 3.524 1.00 0.00 O ATOM 975 CB CYS A 86 7.389 11.567 2.093 1.00 0.00 C ATOM 976 SG CYS A 86 8.793 10.417 2.274 1.00 0.00 S ATOM 0 H CYS A 86 6.395 11.782 4.581 1.00 0.00 H new ATOM 0 HA CYS A 86 8.421 13.224 2.967 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.460 11.020 2.255 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.365 11.938 1.068 1.00 0.00 H new ATOM 981 N GLY A 87 6.406 14.267 1.446 1.00 0.00 N ATOM 982 CA GLY A 87 5.457 15.273 1.014 1.00 0.00 C ATOM 983 C GLY A 87 4.131 14.678 0.589 1.00 0.00 C ATOM 984 O GLY A 87 3.844 13.515 0.876 1.00 0.00 O ATOM 0 H GLY A 87 7.070 13.970 0.731 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.290 15.982 1.825 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.882 15.835 0.182 1.00 0.00 H new ATOM 988 N ASP A 88 3.329 15.478 -0.104 1.00 0.00 N ATOM 989 CA ASP A 88 1.999 15.057 -0.547 1.00 0.00 C ATOM 990 C ASP A 88 2.087 13.886 -1.526 1.00 0.00 C ATOM 991 O ASP A 88 3.069 13.750 -2.262 1.00 0.00 O ATOM 992 CB ASP A 88 1.258 16.224 -1.210 1.00 0.00 C ATOM 993 CG ASP A 88 0.921 17.346 -0.245 1.00 0.00 C ATOM 994 OD1 ASP A 88 -0.158 17.295 0.386 1.00 0.00 O ATOM 995 OD2 ASP A 88 1.724 18.294 -0.125 1.00 0.00 O ATOM 0 H ASP A 88 3.577 16.430 -0.374 1.00 0.00 H new ATOM 0 HA ASP A 88 1.446 14.733 0.335 1.00 0.00 H new ATOM 0 HB2 ASP A 88 1.871 16.622 -2.019 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.337 15.852 -1.660 1.00 0.00 H new ATOM 1000 N PRO A 89 1.062 13.019 -1.538 1.00 0.00 N ATOM 1001 CA PRO A 89 1.024 11.855 -2.418 1.00 0.00 C ATOM 1002 C PRO A 89 0.627 12.217 -3.845 1.00 0.00 C ATOM 1003 O PRO A 89 -0.453 12.759 -4.087 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.034 10.960 -1.776 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.947 11.886 -1.051 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.136 13.104 -0.683 1.00 0.00 C ATOM 0 HA PRO A 89 2.002 11.382 -2.510 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.573 10.386 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.420 10.242 -1.094 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.795 12.162 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.353 11.408 -0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.692 14.023 -0.869 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.129 13.100 0.374 1.00 0.00 H new ATOM 1014 N LEU A 90 1.510 11.919 -4.783 1.00 0.00 N ATOM 1015 CA LEU A 90 1.275 12.213 -6.188 1.00 0.00 C ATOM 1016 C LEU A 90 0.416 11.131 -6.828 1.00 0.00 C ATOM 1017 O LEU A 90 -0.610 11.421 -7.440 1.00 0.00 O ATOM 1018 CB LEU A 90 2.607 12.321 -6.938 1.00 0.00 C ATOM 1019 CG LEU A 90 3.538 13.442 -6.473 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.883 13.343 -7.181 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.909 14.804 -6.728 1.00 0.00 C ATOM 0 H LEU A 90 2.406 11.469 -4.595 1.00 0.00 H new ATOM 0 HA LEU A 90 0.748 13.165 -6.251 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.135 11.372 -6.843 1.00 0.00 H new ATOM 0 HB3 LEU A 90 2.396 12.464 -7.998 1.00 0.00 H new ATOM 0 HG LEU A 90 3.697 13.331 -5.400 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.534 14.148 -6.839 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.344 12.382 -6.954 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.735 13.429 -8.257 1.00 0.00 H new ATOM 0 HD21 LEU A 90 3.588 15.587 -6.390 1.00 0.00 H new ATOM 0 HD22 LEU A 90 2.720 14.923 -7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.968 14.878 -6.182 1.00 0.00 H new ATOM 1033 N SER A 91 0.836 9.885 -6.675 1.00 0.00 N ATOM 1034 CA SER A 91 0.134 8.769 -7.281 1.00 0.00 C ATOM 1035 C SER A 91 0.078 7.576 -6.335 1.00 0.00 C ATOM 1036 O SER A 91 0.919 7.431 -5.446 1.00 0.00 O ATOM 1037 CB SER A 91 0.804 8.378 -8.601 1.00 0.00 C ATOM 1038 OG SER A 91 2.212 8.286 -8.459 1.00 0.00 O ATOM 0 H SER A 91 1.661 9.623 -6.135 1.00 0.00 H new ATOM 0 HA SER A 91 -0.890 9.081 -7.485 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.408 7.422 -8.943 1.00 0.00 H new ATOM 0 HB3 SER A 91 0.561 9.115 -9.366 1.00 0.00 H new ATOM 0 HG SER A 91 2.612 8.033 -9.317 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.928 6.737 -6.534 1.00 0.00 N ATOM 1045 CA LEU A 92 -1.126 5.542 -5.727 1.00 0.00 C ATOM 1046 C LEU A 92 -1.673 4.432 -6.615 1.00 0.00 C ATOM 1047 O LEU A 92 -2.880 4.353 -6.847 1.00 0.00 O ATOM 1048 CB LEU A 92 -2.107 5.825 -4.581 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.456 4.621 -3.694 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.253 4.176 -2.873 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.632 4.950 -2.783 1.00 0.00 C ATOM 0 H LEU A 92 -1.631 6.866 -7.261 1.00 0.00 H new ATOM 0 HA LEU A 92 -0.173 5.236 -5.295 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.685 6.608 -3.951 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -3.030 6.220 -5.006 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.742 3.796 -4.346 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.530 3.322 -2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.441 3.891 -3.542 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.926 4.996 -2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.865 4.085 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.373 5.795 -2.145 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.501 5.206 -3.389 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.789 3.594 -7.131 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.217 2.560 -8.051 1.00 0.00 C ATOM 1065 C GLY A 93 -0.207 1.439 -8.185 1.00 0.00 C ATOM 1066 O GLY A 93 0.628 1.246 -7.302 1.00 0.00 O ATOM 0 H GLY A 93 0.211 3.609 -6.932 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.167 2.148 -7.711 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.394 3.003 -9.031 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.262 0.674 -9.285 1.00 0.00 N ATOM 1071 CA PRO A 94 0.662 -0.430 -9.542 1.00 0.00 C ATOM 1072 C PRO A 94 2.036 0.071 -9.981 1.00 0.00 C ATOM 1073 O PRO A 94 2.357 0.069 -11.170 1.00 0.00 O ATOM 1074 CB PRO A 94 -0.009 -1.214 -10.684 1.00 0.00 C ATOM 1075 CG PRO A 94 -1.354 -0.589 -10.879 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.235 0.817 -10.373 1.00 0.00 C ATOM 0 HA PRO A 94 0.838 -1.030 -8.649 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.584 -1.157 -11.597 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.103 -2.270 -10.430 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -1.641 -0.602 -11.930 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -2.121 -1.137 -10.332 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -0.883 1.500 -11.147 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.190 1.204 -10.017 1.00 0.00 H new ATOM 1084 N PHE A 95 2.843 0.499 -9.020 1.00 0.00 N ATOM 1085 CA PHE A 95 4.144 1.079 -9.329 1.00 0.00 C ATOM 1086 C PHE A 95 5.154 -0.008 -9.673 1.00 0.00 C ATOM 1087 O PHE A 95 5.838 0.069 -10.697 1.00 0.00 O ATOM 1088 CB PHE A 95 4.660 1.914 -8.155 1.00 0.00 C ATOM 1089 CG PHE A 95 5.723 2.907 -8.539 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.373 4.150 -9.044 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.070 2.603 -8.397 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.344 5.068 -9.400 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.042 3.516 -8.751 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.680 4.750 -9.252 1.00 0.00 C ATOM 0 H PHE A 95 2.622 0.456 -8.025 1.00 0.00 H new ATOM 0 HA PHE A 95 4.020 1.729 -10.195 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.823 2.447 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.059 1.245 -7.393 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.330 4.404 -9.161 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.361 1.640 -8.005 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.058 6.032 -9.793 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.086 3.265 -8.636 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.440 5.466 -9.528 1.00 0.00 H new ATOM 1104 N LEU A 96 5.245 -1.026 -8.827 1.00 0.00 N ATOM 1105 CA LEU A 96 6.217 -2.089 -9.041 1.00 0.00 C ATOM 1106 C LEU A 96 5.535 -3.361 -9.520 1.00 0.00 C ATOM 1107 O LEU A 96 4.420 -3.685 -9.104 1.00 0.00 O ATOM 1108 CB LEU A 96 7.037 -2.380 -7.776 1.00 0.00 C ATOM 1109 CG LEU A 96 7.960 -1.244 -7.316 1.00 0.00 C ATOM 1110 CD1 LEU A 96 7.207 -0.247 -6.447 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.171 -1.800 -6.580 1.00 0.00 C ATOM 0 H LEU A 96 4.665 -1.138 -7.996 1.00 0.00 H new ATOM 0 HA LEU A 96 6.902 -1.740 -9.814 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.350 -2.618 -6.964 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.643 -3.269 -7.952 1.00 0.00 H new ATOM 0 HG LEU A 96 8.313 -0.715 -8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 96 7.884 0.548 -6.135 1.00 0.00 H new ATOM 0 HD12 LEU A 96 6.382 0.182 -7.016 1.00 0.00 H new ATOM 0 HD13 LEU A 96 6.814 -0.756 -5.567 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.813 -0.978 -6.262 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.840 -2.361 -5.706 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.729 -2.460 -7.244 1.00 0.00 H new ATOM 1123 N LYS A 97 6.218 -4.077 -10.395 1.00 0.00 N ATOM 1124 CA LYS A 97 5.693 -5.304 -10.962 1.00 0.00 C ATOM 1125 C LYS A 97 6.596 -6.474 -10.592 1.00 0.00 C ATOM 1126 O LYS A 97 7.270 -7.049 -11.446 1.00 0.00 O ATOM 1127 CB LYS A 97 5.579 -5.179 -12.486 1.00 0.00 C ATOM 1128 CG LYS A 97 4.699 -4.023 -12.943 1.00 0.00 C ATOM 1129 CD LYS A 97 4.594 -3.957 -14.459 1.00 0.00 C ATOM 1130 CE LYS A 97 3.758 -2.766 -14.903 1.00 0.00 C ATOM 1131 NZ LYS A 97 2.394 -2.803 -14.314 1.00 0.00 N ATOM 0 H LYS A 97 7.148 -3.825 -10.731 1.00 0.00 H new ATOM 0 HA LYS A 97 4.698 -5.485 -10.555 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.577 -5.052 -12.907 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.179 -6.109 -12.889 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.703 -4.133 -12.514 1.00 0.00 H new ATOM 0 HG3 LYS A 97 5.106 -3.085 -12.566 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.592 -3.886 -14.892 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.148 -4.878 -14.835 1.00 0.00 H new ATOM 0 HE2 LYS A 97 4.256 -1.842 -14.610 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.685 -2.758 -15.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 1.787 -2.113 -14.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 1.993 -3.756 -14.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.446 -2.566 -13.303 1.00 0.00 H new ATOM 1144 N THR A 98 6.629 -6.801 -9.309 1.00 0.00 N ATOM 1145 CA THR A 98 7.467 -7.887 -8.824 1.00 0.00 C ATOM 1146 C THR A 98 6.696 -9.209 -8.807 1.00 0.00 C ATOM 1147 O THR A 98 7.275 -10.283 -8.954 1.00 0.00 O ATOM 1148 CB THR A 98 7.999 -7.571 -7.416 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.388 -6.191 -7.354 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.193 -8.448 -7.067 1.00 0.00 C ATOM 0 H THR A 98 6.086 -6.330 -8.585 1.00 0.00 H new ATOM 0 HA THR A 98 8.311 -7.988 -9.506 1.00 0.00 H new ATOM 0 HB THR A 98 7.205 -7.772 -6.697 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.119 -6.086 -6.710 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.546 -8.201 -6.066 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.896 -9.496 -7.098 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.993 -8.276 -7.787 1.00 0.00 H new ATOM 1158 N TYR A 99 5.376 -9.099 -8.628 1.00 0.00 N ATOM 1159 CA TYR A 99 4.448 -10.237 -8.725 1.00 0.00 C ATOM 1160 C TYR A 99 4.722 -11.334 -7.696 1.00 0.00 C ATOM 1161 O TYR A 99 4.283 -12.465 -7.882 1.00 0.00 O ATOM 1162 CB TYR A 99 4.489 -10.847 -10.129 1.00 0.00 C ATOM 1163 CG TYR A 99 4.095 -9.894 -11.234 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.762 -9.580 -11.471 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.058 -9.312 -12.047 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.403 -8.712 -12.483 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.705 -8.444 -13.058 1.00 0.00 C ATOM 1168 CZ TYR A 99 3.378 -8.148 -13.274 1.00 0.00 C ATOM 1169 OH TYR A 99 3.033 -7.281 -14.284 1.00 0.00 O ATOM 0 H TYR A 99 4.916 -8.215 -8.411 1.00 0.00 H new ATOM 0 HA TYR A 99 3.458 -9.832 -8.515 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.497 -11.213 -10.324 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.825 -11.711 -10.156 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.994 -10.022 -10.853 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.100 -9.543 -11.885 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.363 -8.477 -12.653 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.467 -7.997 -13.679 1.00 0.00 H new ATOM 0 HH TYR A 99 2.211 -6.806 -14.041 1.00 0.00 H new ATOM 1179 N THR A 100 5.428 -11.004 -6.620 1.00 0.00 N ATOM 1180 CA THR A 100 5.738 -11.983 -5.582 1.00 0.00 C ATOM 1181 C THR A 100 4.495 -12.329 -4.758 1.00 0.00 C ATOM 1182 O THR A 100 4.028 -11.516 -3.958 1.00 0.00 O ATOM 1183 CB THR A 100 6.835 -11.456 -4.636 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.943 -10.967 -5.402 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.312 -12.553 -3.693 1.00 0.00 C ATOM 0 H THR A 100 5.796 -10.069 -6.443 1.00 0.00 H new ATOM 0 HA THR A 100 6.095 -12.881 -6.086 1.00 0.00 H new ATOM 0 HB THR A 100 6.414 -10.646 -4.041 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.637 -10.632 -4.796 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.086 -12.157 -3.036 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.473 -12.908 -3.094 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.719 -13.381 -4.274 1.00 0.00 H new ATOM 1193 N PRO A 101 3.952 -13.547 -4.929 1.00 0.00 N ATOM 1194 CA PRO A 101 2.753 -13.989 -4.235 1.00 0.00 C ATOM 1195 C PRO A 101 3.081 -14.716 -2.933 1.00 0.00 C ATOM 1196 O PRO A 101 2.724 -15.883 -2.746 1.00 0.00 O ATOM 1197 CB PRO A 101 2.129 -14.941 -5.252 1.00 0.00 C ATOM 1198 CG PRO A 101 3.284 -15.528 -6.003 1.00 0.00 C ATOM 1199 CD PRO A 101 4.468 -14.605 -5.811 1.00 0.00 C ATOM 0 HA PRO A 101 2.102 -13.168 -3.935 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.546 -15.718 -4.758 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.452 -14.412 -5.922 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.513 -16.528 -5.634 1.00 0.00 H new ATOM 0 HG3 PRO A 101 3.043 -15.627 -7.061 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.312 -15.126 -5.359 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.816 -14.199 -6.761 1.00 0.00 H new ATOM 1207 N GLN A 102 3.777 -14.026 -2.043 1.00 0.00 N ATOM 1208 CA GLN A 102 4.190 -14.610 -0.773 1.00 0.00 C ATOM 1209 C GLN A 102 4.158 -13.555 0.323 1.00 0.00 C ATOM 1210 O GLN A 102 3.523 -13.733 1.359 1.00 0.00 O ATOM 1211 CB GLN A 102 5.600 -15.197 -0.903 1.00 0.00 C ATOM 1212 CG GLN A 102 6.055 -16.004 0.303 1.00 0.00 C ATOM 1213 CD GLN A 102 5.191 -17.226 0.549 1.00 0.00 C ATOM 1214 OE1 GLN A 102 4.217 -17.174 1.302 1.00 0.00 O ATOM 1215 NE2 GLN A 102 5.532 -18.330 -0.096 1.00 0.00 N ATOM 0 H GLN A 102 4.069 -13.058 -2.176 1.00 0.00 H new ATOM 0 HA GLN A 102 3.498 -15.409 -0.508 1.00 0.00 H new ATOM 0 HB2 GLN A 102 5.636 -15.834 -1.787 1.00 0.00 H new ATOM 0 HB3 GLN A 102 6.306 -14.383 -1.068 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.088 -16.318 0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.038 -15.368 1.188 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.346 -18.331 -0.710 1.00 0.00 H new ATOM 0 HE22 GLN A 102 4.981 -19.180 0.021 1.00 0.00 H new ATOM 1224 N SER A 103 4.839 -12.450 0.079 1.00 0.00 N ATOM 1225 CA SER A 103 4.905 -11.363 1.039 1.00 0.00 C ATOM 1226 C SER A 103 3.787 -10.351 0.808 1.00 0.00 C ATOM 1227 O SER A 103 3.661 -9.368 1.540 1.00 0.00 O ATOM 1228 CB SER A 103 6.270 -10.690 0.931 1.00 0.00 C ATOM 1229 OG SER A 103 6.639 -10.516 -0.430 1.00 0.00 O ATOM 0 H SER A 103 5.358 -12.281 -0.783 1.00 0.00 H new ATOM 0 HA SER A 103 4.773 -11.767 2.043 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.244 -9.722 1.432 1.00 0.00 H new ATOM 0 HB3 SER A 103 7.020 -11.294 1.442 1.00 0.00 H new ATOM 0 HG SER A 103 6.499 -9.582 -0.690 1.00 0.00 H new ATOM 1235 N SER A 104 2.969 -10.607 -0.201 1.00 0.00 N ATOM 1236 CA SER A 104 1.915 -9.685 -0.588 1.00 0.00 C ATOM 1237 C SER A 104 0.552 -10.138 -0.062 1.00 0.00 C ATOM 1238 O SER A 104 0.309 -11.333 0.131 1.00 0.00 O ATOM 1239 CB SER A 104 1.883 -9.566 -2.112 1.00 0.00 C ATOM 1240 OG SER A 104 1.804 -10.846 -2.717 1.00 0.00 O ATOM 0 H SER A 104 3.017 -11.452 -0.770 1.00 0.00 H new ATOM 0 HA SER A 104 2.128 -8.711 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.028 -8.962 -2.416 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.778 -9.049 -2.460 1.00 0.00 H new ATOM 0 HG SER A 104 2.606 -11.002 -3.258 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.329 -9.171 0.176 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.679 -9.451 0.643 1.00 0.00 C ATOM 1248 C ILE A 105 -2.709 -8.656 -0.152 1.00 0.00 C ATOM 1249 O ILE A 105 -2.415 -7.577 -0.673 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.864 -9.118 2.145 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.437 -7.671 2.429 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.094 -10.101 3.019 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.750 -7.196 3.832 1.00 0.00 C ATOM 0 H ILE A 105 -0.128 -8.179 0.051 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.832 -10.520 0.497 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.921 -9.215 2.392 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.364 -7.580 2.257 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.931 -7.011 1.715 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.240 -9.846 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.458 -11.112 2.837 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.032 -10.049 2.777 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.417 -6.165 3.950 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.825 -7.252 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.234 -7.829 4.554 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.908 -9.201 -0.241 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.040 -8.500 -0.822 1.00 0.00 C ATOM 1267 C ILE A 106 -6.098 -8.319 0.252 1.00 0.00 C ATOM 1268 O ILE A 106 -6.511 -9.282 0.893 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.631 -9.253 -2.043 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.828 -8.917 -3.300 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.107 -8.924 -2.240 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.314 -9.621 -4.551 1.00 0.00 C ATOM 0 H ILE A 106 -4.126 -10.142 0.087 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.699 -7.531 -1.188 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.559 -10.324 -1.852 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.865 -7.840 -3.465 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -3.783 -9.178 -3.131 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.489 -9.468 -3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.666 -9.215 -1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.222 -7.853 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.692 -9.329 -5.397 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.251 -10.700 -4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.349 -9.341 -4.747 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.518 -7.092 0.473 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.442 -6.819 1.555 1.00 0.00 C ATOM 1286 C CYS A 107 -8.815 -6.446 1.018 1.00 0.00 C ATOM 1287 O CYS A 107 -8.933 -5.837 -0.049 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.895 -5.716 2.459 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.543 -5.780 4.161 1.00 0.00 S ATOM 0 H CYS A 107 -6.240 -6.277 -0.073 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.550 -7.727 2.148 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.808 -5.789 2.490 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.137 -4.747 2.023 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.845 -6.833 1.757 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.219 -6.567 1.370 1.00 0.00 C ATOM 1296 C TYR A 108 -11.825 -5.517 2.291 1.00 0.00 C ATOM 1297 O TYR A 108 -11.309 -5.264 3.382 1.00 0.00 O ATOM 1298 CB TYR A 108 -12.057 -7.848 1.439 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.503 -8.999 0.625 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -11.628 -9.021 -0.760 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.864 -10.067 1.243 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -11.129 -10.075 -1.504 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.362 -11.122 0.506 1.00 0.00 C ATOM 1304 CZ TYR A 108 -10.498 -11.123 -0.866 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.002 -12.176 -1.602 1.00 0.00 O ATOM 0 H TYR A 108 -9.750 -7.338 2.638 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.220 -6.198 0.344 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.137 -8.160 2.480 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -13.067 -7.627 1.094 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -12.122 -8.203 -1.262 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.758 -10.072 2.318 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -11.233 -10.078 -2.579 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.865 -11.942 1.002 1.00 0.00 H new ATOM 0 HH TYR A 108 -9.587 -12.829 -1.000 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.921 -4.913 1.857 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.577 -3.907 2.661 1.00 0.00 C ATOM 1317 C GLY A 109 -13.716 -2.594 1.928 1.00 0.00 C ATOM 1318 O GLY A 109 -14.535 -2.464 1.017 1.00 0.00 O ATOM 0 H GLY A 109 -13.368 -5.103 0.960 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.564 -4.265 2.953 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.010 -3.751 3.579 1.00 0.00 H new ATOM 1322 N GLN A 110 -12.911 -1.622 2.317 1.00 0.00 N ATOM 1323 CA GLN A 110 -12.936 -0.306 1.699 1.00 0.00 C ATOM 1324 C GLN A 110 -11.520 0.248 1.649 1.00 0.00 C ATOM 1325 O GLN A 110 -10.682 -0.133 2.463 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.844 0.631 2.500 1.00 0.00 C ATOM 1327 CG GLN A 110 -14.185 1.927 1.778 1.00 0.00 C ATOM 1328 CD GLN A 110 -14.996 2.875 2.640 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -15.724 2.447 3.536 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -14.887 4.164 2.367 1.00 0.00 N ATOM 0 H GLN A 110 -12.225 -1.720 3.065 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.329 -0.385 0.685 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.769 0.107 2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.358 0.871 3.446 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -13.264 2.420 1.469 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -14.744 1.698 0.871 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -14.272 4.476 1.616 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -15.418 4.847 2.908 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.253 1.124 0.687 1.00 0.00 N ATOM 1340 CA LEU A 111 -9.929 1.716 0.528 1.00 0.00 C ATOM 1341 C LEU A 111 -9.490 2.412 1.817 1.00 0.00 C ATOM 1342 O LEU A 111 -10.022 3.460 2.180 1.00 0.00 O ATOM 1343 CB LEU A 111 -9.936 2.715 -0.637 1.00 0.00 C ATOM 1344 CG LEU A 111 -8.604 3.419 -0.925 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -7.553 2.429 -1.406 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -8.800 4.526 -1.951 1.00 0.00 C ATOM 0 H LEU A 111 -11.939 1.441 0.002 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.218 0.919 0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -10.249 2.189 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -10.690 3.475 -0.433 1.00 0.00 H new ATOM 0 HG LEU A 111 -8.249 3.862 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -6.619 2.956 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -7.388 1.672 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -7.898 1.949 -2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -7.846 5.016 -2.144 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -9.183 4.099 -2.878 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -9.512 5.257 -1.566 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.526 1.811 2.504 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.057 2.353 3.765 1.00 0.00 C ATOM 1360 C GLY A 112 -8.489 1.509 4.950 1.00 0.00 C ATOM 1361 O GLY A 112 -8.144 1.809 6.095 1.00 0.00 O ATOM 0 H GLY A 112 -8.059 0.954 2.208 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.969 2.420 3.747 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.437 3.367 3.886 1.00 0.00 H new ATOM 1365 N SER A 113 -9.249 0.459 4.673 1.00 0.00 N ATOM 1366 CA SER A 113 -9.716 -0.455 5.703 1.00 0.00 C ATOM 1367 C SER A 113 -8.926 -1.763 5.653 1.00 0.00 C ATOM 1368 O SER A 113 -9.239 -2.669 4.879 1.00 0.00 O ATOM 1369 CB SER A 113 -11.215 -0.729 5.522 1.00 0.00 C ATOM 1370 OG SER A 113 -11.721 -1.571 6.545 1.00 0.00 O ATOM 0 H SER A 113 -9.558 0.218 3.731 1.00 0.00 H new ATOM 0 HA SER A 113 -9.558 0.005 6.678 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.760 0.215 5.524 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.386 -1.193 4.551 1.00 0.00 H new ATOM 0 HG SER A 113 -12.678 -1.723 6.400 1.00 0.00 H new ATOM 1376 N PHE A 114 -7.901 -1.849 6.485 1.00 0.00 N ATOM 1377 CA PHE A 114 -7.080 -3.047 6.583 1.00 0.00 C ATOM 1378 C PHE A 114 -7.662 -3.974 7.642 1.00 0.00 C ATOM 1379 O PHE A 114 -7.035 -4.250 8.666 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.633 -2.683 6.936 1.00 0.00 C ATOM 1381 CG PHE A 114 -4.902 -1.942 5.849 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -4.987 -0.561 5.751 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.124 -2.627 4.930 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.309 0.119 4.756 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.444 -1.952 3.934 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.539 -0.578 3.847 1.00 0.00 C ATOM 0 H PHE A 114 -7.615 -1.095 7.109 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.077 -3.555 5.618 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.633 -2.073 7.839 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -5.086 -3.597 7.169 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.589 -0.011 6.459 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.048 -3.702 4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.382 1.195 4.690 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -2.840 -2.499 3.225 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.011 -0.048 3.068 1.00 0.00 H new ATOM 1396 N SER A 115 -8.880 -4.424 7.402 1.00 0.00 N ATOM 1397 CA SER A 115 -9.582 -5.261 8.357 1.00 0.00 C ATOM 1398 C SER A 115 -9.474 -6.735 7.966 1.00 0.00 C ATOM 1399 O SER A 115 -8.866 -7.536 8.681 1.00 0.00 O ATOM 1400 CB SER A 115 -11.049 -4.825 8.448 1.00 0.00 C ATOM 1401 OG SER A 115 -11.663 -5.320 9.626 1.00 0.00 O ATOM 0 H SER A 115 -9.405 -4.223 6.551 1.00 0.00 H new ATOM 0 HA SER A 115 -9.120 -5.143 9.337 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.108 -3.737 8.435 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.592 -5.185 7.574 1.00 0.00 H new ATOM 0 HG SER A 115 -12.597 -5.024 9.657 1.00 0.00 H new ATOM 1407 N ASN A 116 -10.047 -7.088 6.822 1.00 0.00 N ATOM 1408 CA ASN A 116 -10.019 -8.467 6.355 1.00 0.00 C ATOM 1409 C ASN A 116 -9.085 -8.598 5.163 1.00 0.00 C ATOM 1410 O ASN A 116 -9.498 -8.446 4.012 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.428 -8.947 5.981 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.450 -10.396 5.516 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -10.640 -11.216 5.948 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.381 -10.720 4.633 1.00 0.00 N ATOM 0 H ASN A 116 -10.535 -6.441 6.203 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.649 -9.095 7.165 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -12.086 -8.836 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.827 -8.310 5.191 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.445 -11.677 4.287 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.035 -10.012 4.298 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.820 -8.851 5.442 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.833 -8.997 4.388 1.00 0.00 C ATOM 1423 C CYS A 117 -6.423 -10.460 4.265 1.00 0.00 C ATOM 1424 O CYS A 117 -6.240 -11.144 5.273 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.604 -8.127 4.676 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.974 -6.437 5.278 1.00 0.00 S ATOM 0 H CYS A 117 -7.452 -8.960 6.387 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.274 -8.668 3.447 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.985 -8.633 5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.011 -8.050 3.765 1.00 0.00 H new ATOM 1431 N SER A 118 -6.288 -10.941 3.041 1.00 0.00 N ATOM 1432 CA SER A 118 -5.951 -12.333 2.802 1.00 0.00 C ATOM 1433 C SER A 118 -4.613 -12.456 2.075 1.00 0.00 C ATOM 1434 O SER A 118 -4.145 -11.509 1.434 1.00 0.00 O ATOM 1435 CB SER A 118 -7.064 -12.999 1.988 1.00 0.00 C ATOM 1436 OG SER A 118 -7.354 -12.255 0.818 1.00 0.00 O ATOM 0 H SER A 118 -6.407 -10.385 2.194 1.00 0.00 H new ATOM 0 HA SER A 118 -5.856 -12.838 3.763 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.764 -14.010 1.715 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.963 -13.087 2.599 1.00 0.00 H new ATOM 0 HG SER A 118 -8.271 -11.914 0.866 1.00 0.00 H new ATOM 1442 N HIS A 119 -4.001 -13.625 2.203 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.735 -13.922 1.547 1.00 0.00 C ATOM 1444 C HIS A 119 -2.925 -13.952 0.033 1.00 0.00 C ATOM 1445 O HIS A 119 -3.797 -14.657 -0.475 1.00 0.00 O ATOM 1446 CB HIS A 119 -2.205 -15.269 2.054 1.00 0.00 C ATOM 1447 CG HIS A 119 -0.841 -15.633 1.553 1.00 0.00 C ATOM 1448 ND1 HIS A 119 0.312 -15.361 2.255 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -0.452 -16.269 0.424 1.00 0.00 C ATOM 1450 CE1 HIS A 119 1.351 -15.815 1.582 1.00 0.00 C ATOM 1451 NE2 HIS A 119 0.914 -16.371 0.467 1.00 0.00 N ATOM 0 H HIS A 119 -4.368 -14.394 2.764 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.009 -13.144 1.783 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -2.184 -15.249 3.144 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -2.905 -16.052 1.763 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -1.097 -16.629 -0.364 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.384 -15.744 1.890 1.00 0.00 H new ATOM 0 HE2 HIS A 119 1.498 -16.806 -0.247 1.00 0.00 H new ATOM 1459 N SER A 120 -2.109 -13.191 -0.682 1.00 0.00 N ATOM 1460 CA SER A 120 -2.245 -13.081 -2.126 1.00 0.00 C ATOM 1461 C SER A 120 -1.839 -14.389 -2.806 1.00 0.00 C ATOM 1462 O SER A 120 -0.668 -14.775 -2.799 1.00 0.00 O ATOM 1463 CB SER A 120 -1.405 -11.912 -2.649 1.00 0.00 C ATOM 1464 OG SER A 120 -1.654 -11.673 -4.023 1.00 0.00 O ATOM 0 H SER A 120 -1.347 -12.641 -0.286 1.00 0.00 H new ATOM 0 HA SER A 120 -3.291 -12.888 -2.364 1.00 0.00 H new ATOM 0 HB2 SER A 120 -1.631 -11.014 -2.075 1.00 0.00 H new ATOM 0 HB3 SER A 120 -0.347 -12.127 -2.501 1.00 0.00 H new ATOM 0 HG SER A 120 -1.131 -10.900 -4.321 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.824 -15.077 -3.372 1.00 0.00 N ATOM 1471 CA ARG A 121 -2.593 -16.352 -4.042 1.00 0.00 C ATOM 1472 C ARG A 121 -2.383 -16.166 -5.539 1.00 0.00 C ATOM 1473 O ARG A 121 -2.254 -17.139 -6.280 1.00 0.00 O ATOM 1474 CB ARG A 121 -3.780 -17.289 -3.820 1.00 0.00 C ATOM 1475 CG ARG A 121 -5.095 -16.717 -4.318 1.00 0.00 C ATOM 1476 CD ARG A 121 -6.197 -17.760 -4.313 1.00 0.00 C ATOM 1477 NE ARG A 121 -6.434 -18.320 -2.985 1.00 0.00 N ATOM 1478 CZ ARG A 121 -7.312 -19.285 -2.747 1.00 0.00 C ATOM 1479 NH1 ARG A 121 -8.010 -19.798 -3.748 1.00 0.00 N ATOM 1480 NH2 ARG A 121 -7.483 -19.751 -1.522 1.00 0.00 N ATOM 0 H ARG A 121 -3.797 -14.771 -3.380 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.690 -16.786 -3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -3.588 -18.235 -4.327 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.867 -17.509 -2.756 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -5.387 -15.876 -3.690 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -4.964 -16.330 -5.329 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -7.119 -17.311 -4.684 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -5.935 -18.564 -5.001 1.00 0.00 H new ATOM 0 HE ARG A 121 -5.897 -17.950 -2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -7.871 -19.451 -4.697 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -8.687 -20.540 -3.570 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -6.937 -19.368 -0.750 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -8.161 -20.493 -1.349 1.00 0.00 H new ATOM 1493 N ASN A 122 -2.355 -14.921 -5.987 1.00 0.00 N ATOM 1494 CA ASN A 122 -2.233 -14.642 -7.409 1.00 0.00 C ATOM 1495 C ASN A 122 -0.841 -14.125 -7.729 1.00 0.00 C ATOM 1496 O ASN A 122 -0.306 -13.266 -7.028 1.00 0.00 O ATOM 1497 CB ASN A 122 -3.306 -13.645 -7.876 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.190 -12.283 -7.219 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -3.847 -12.118 -6.083 1.00 0.00 O flip ATOM 1500 ND2 ASN A 122 -2.529 -11.385 -7.735 1.00 0.00 N flip ATOM 0 H ASN A 122 -2.414 -14.094 -5.393 1.00 0.00 H new ATOM 0 HA ASN A 122 -2.390 -15.574 -7.951 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -3.235 -13.526 -8.957 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.292 -14.059 -7.665 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -2.037 -11.554 -8.612 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -2.472 -10.471 -7.286 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.251 -14.666 -8.781 1.00 0.00 N ATOM 1508 CA ASP A 123 1.095 -14.276 -9.186 1.00 0.00 C ATOM 1509 C ASP A 123 1.044 -13.143 -10.205 1.00 0.00 C ATOM 1510 O ASP A 123 2.045 -12.818 -10.841 1.00 0.00 O ATOM 1511 CB ASP A 123 1.866 -15.473 -9.747 1.00 0.00 C ATOM 1512 CG ASP A 123 1.218 -16.065 -10.977 1.00 0.00 C ATOM 1513 OD1 ASP A 123 0.243 -16.837 -10.829 1.00 0.00 O ATOM 1514 OD2 ASP A 123 1.692 -15.782 -12.094 1.00 0.00 O ATOM 0 H ASP A 123 -0.680 -15.377 -9.373 1.00 0.00 H new ATOM 0 HA ASP A 123 1.623 -13.918 -8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 123 2.882 -15.162 -9.991 1.00 0.00 H new ATOM 0 HB3 ASP A 123 1.944 -16.241 -8.978 1.00 0.00 H new ATOM 1519 N MET A 124 -0.133 -12.549 -10.354 1.00 0.00 N ATOM 1520 CA MET A 124 -0.287 -11.332 -11.139 1.00 0.00 C ATOM 1521 C MET A 124 -0.388 -10.152 -10.184 1.00 0.00 C ATOM 1522 O MET A 124 -0.868 -9.074 -10.541 1.00 0.00 O ATOM 1523 CB MET A 124 -1.535 -11.379 -12.034 1.00 0.00 C ATOM 1524 CG MET A 124 -1.624 -12.598 -12.939 1.00 0.00 C ATOM 1525 SD MET A 124 -2.306 -14.042 -12.098 1.00 0.00 S ATOM 1526 CE MET A 124 -3.966 -13.472 -11.739 1.00 0.00 C ATOM 0 H MET A 124 -0.999 -12.893 -9.939 1.00 0.00 H new ATOM 0 HA MET A 124 0.579 -11.230 -11.793 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.421 -11.349 -11.400 1.00 0.00 H new ATOM 0 HB3 MET A 124 -1.555 -10.482 -12.653 1.00 0.00 H new ATOM 0 HG2 MET A 124 -2.244 -12.359 -13.803 1.00 0.00 H new ATOM 0 HG3 MET A 124 -0.630 -12.838 -13.317 1.00 0.00 H new ATOM 0 HE1 MET A 124 -4.592 -14.322 -11.467 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.936 -12.763 -10.911 1.00 0.00 H new ATOM 0 HE3 MET A 124 -4.381 -12.983 -12.620 1.00 0.00 H new ATOM 1536 N CYS A 125 0.061 -10.383 -8.959 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.019 -9.388 -7.902 1.00 0.00 C ATOM 1538 C CYS A 125 0.865 -8.189 -8.212 1.00 0.00 C ATOM 1539 O CYS A 125 2.090 -8.299 -8.293 1.00 0.00 O ATOM 1540 CB CYS A 125 0.379 -10.003 -6.559 1.00 0.00 C ATOM 1541 SG CYS A 125 0.247 -8.859 -5.143 1.00 0.00 S ATOM 0 H CYS A 125 0.490 -11.263 -8.671 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.052 -9.044 -7.841 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.251 -10.872 -6.369 1.00 0.00 H new ATOM 0 HB3 CYS A 125 1.406 -10.362 -6.627 1.00 0.00 H new ATOM 1546 N HIS A 126 0.229 -7.049 -8.405 1.00 0.00 N ATOM 1547 CA HIS A 126 0.944 -5.813 -8.646 1.00 0.00 C ATOM 1548 C HIS A 126 1.279 -5.162 -7.311 1.00 0.00 C ATOM 1549 O HIS A 126 0.436 -5.103 -6.416 1.00 0.00 O ATOM 1550 CB HIS A 126 0.100 -4.858 -9.498 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.377 -5.447 -10.791 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.692 -5.810 -11.012 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.286 -5.731 -11.938 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.815 -6.292 -12.234 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.631 -6.256 -12.820 1.00 0.00 N ATOM 0 H HIS A 126 -0.787 -6.955 -8.399 1.00 0.00 H new ATOM 0 HA HIS A 126 1.863 -6.033 -9.189 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -0.765 -4.538 -8.917 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.687 -3.965 -9.713 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -2.450 -5.719 -10.335 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.338 -5.575 -12.125 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.729 -6.655 -12.680 1.00 0.00 H new ATOM 1563 N SER A 127 2.504 -4.688 -7.170 1.00 0.00 N ATOM 1564 CA SER A 127 2.933 -4.076 -5.927 1.00 0.00 C ATOM 1565 C SER A 127 2.415 -2.644 -5.843 1.00 0.00 C ATOM 1566 O SER A 127 2.748 -1.806 -6.688 1.00 0.00 O ATOM 1567 CB SER A 127 4.459 -4.094 -5.840 1.00 0.00 C ATOM 1568 OG SER A 127 4.965 -5.390 -6.123 1.00 0.00 O ATOM 0 H SER A 127 3.217 -4.715 -7.899 1.00 0.00 H new ATOM 0 HA SER A 127 2.525 -4.643 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.876 -3.374 -6.544 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.775 -3.785 -4.843 1.00 0.00 H new ATOM 0 HG SER A 127 5.909 -5.324 -6.378 1.00 0.00 H new ATOM 1574 N LEU A 128 1.589 -2.372 -4.838 1.00 0.00 N ATOM 1575 CA LEU A 128 1.033 -1.042 -4.658 1.00 0.00 C ATOM 1576 C LEU A 128 2.147 -0.054 -4.356 1.00 0.00 C ATOM 1577 O LEU A 128 2.887 -0.213 -3.382 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.003 -1.018 -3.530 1.00 0.00 C ATOM 1579 CG LEU A 128 -0.791 0.289 -3.397 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -1.648 0.533 -4.630 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -1.655 0.264 -2.147 1.00 0.00 C ATOM 0 H LEU A 128 1.293 -3.054 -4.140 1.00 0.00 H new ATOM 0 HA LEU A 128 0.532 -0.757 -5.583 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -0.708 -1.834 -3.688 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.506 -1.215 -2.586 1.00 0.00 H new ATOM 0 HG LEU A 128 -0.078 1.108 -3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -2.198 1.467 -4.512 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -1.009 0.597 -5.511 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.352 -0.290 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -2.208 1.200 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -2.357 -0.568 -2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -1.021 0.142 -1.269 1.00 0.00 H new ATOM 1593 N GLY A 129 2.272 0.945 -5.205 1.00 0.00 N ATOM 1594 CA GLY A 129 3.304 1.934 -5.039 1.00 0.00 C ATOM 1595 C GLY A 129 2.725 3.292 -4.747 1.00 0.00 C ATOM 1596 O GLY A 129 1.890 3.795 -5.504 1.00 0.00 O ATOM 0 H GLY A 129 1.669 1.089 -6.015 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.966 1.637 -4.226 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.911 1.983 -5.943 1.00 0.00 H new ATOM 1600 N LEU A 130 3.148 3.875 -3.645 1.00 0.00 N ATOM 1601 CA LEU A 130 2.713 5.205 -3.280 1.00 0.00 C ATOM 1602 C LEU A 130 3.822 6.200 -3.581 1.00 0.00 C ATOM 1603 O LEU A 130 4.920 6.108 -3.029 1.00 0.00 O ATOM 1604 CB LEU A 130 2.332 5.258 -1.798 1.00 0.00 C ATOM 1605 CG LEU A 130 1.865 6.624 -1.290 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.654 7.107 -2.072 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.544 6.552 0.193 1.00 0.00 C ATOM 0 H LEU A 130 3.796 3.446 -2.984 1.00 0.00 H new ATOM 0 HA LEU A 130 1.830 5.465 -3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.540 4.532 -1.618 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.193 4.944 -1.207 1.00 0.00 H new ATOM 0 HG LEU A 130 2.673 7.340 -1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.340 8.080 -1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.914 7.195 -3.127 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.161 6.393 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.213 7.530 0.542 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.753 5.821 0.359 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.436 6.253 0.744 1.00 0.00 H new ATOM 1619 N THR A 131 3.544 7.126 -4.480 1.00 0.00 N ATOM 1620 CA THR A 131 4.527 8.112 -4.877 1.00 0.00 C ATOM 1621 C THR A 131 4.310 9.426 -4.134 1.00 0.00 C ATOM 1622 O THR A 131 3.605 10.311 -4.613 1.00 0.00 O ATOM 1623 CB THR A 131 4.476 8.368 -6.396 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.463 7.120 -7.100 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.669 9.197 -6.855 1.00 0.00 C ATOM 0 H THR A 131 2.643 7.214 -4.949 1.00 0.00 H new ATOM 0 HA THR A 131 5.508 7.714 -4.620 1.00 0.00 H new ATOM 0 HB THR A 131 3.565 8.925 -6.614 1.00 0.00 H new ATOM 0 HG1 THR A 131 3.741 7.125 -7.762 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.606 9.361 -7.931 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.664 10.158 -6.340 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.592 8.666 -6.623 1.00 0.00 H new ATOM 1633 N CYS A 132 4.893 9.537 -2.956 1.00 0.00 N ATOM 1634 CA CYS A 132 4.858 10.781 -2.200 1.00 0.00 C ATOM 1635 C CYS A 132 5.998 11.676 -2.665 1.00 0.00 C ATOM 1636 O CYS A 132 7.051 11.183 -3.072 1.00 0.00 O ATOM 1637 CB CYS A 132 5.003 10.508 -0.696 1.00 0.00 C ATOM 1638 SG CYS A 132 3.929 9.179 -0.061 1.00 0.00 S ATOM 0 H CYS A 132 5.399 8.779 -2.498 1.00 0.00 H new ATOM 0 HA CYS A 132 3.900 11.272 -2.371 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.041 10.251 -0.485 1.00 0.00 H new ATOM 0 HB3 CYS A 132 4.785 11.426 -0.150 1.00 0.00 H new ATOM 1643 N LEU A 133 5.786 12.986 -2.631 1.00 0.00 N ATOM 1644 CA LEU A 133 6.842 13.928 -2.971 1.00 0.00 C ATOM 1645 C LEU A 133 8.038 13.733 -2.046 1.00 0.00 C ATOM 1646 O LEU A 133 7.893 13.692 -0.821 1.00 0.00 O ATOM 1647 CB LEU A 133 6.333 15.370 -2.888 1.00 0.00 C ATOM 1648 CG LEU A 133 5.482 15.837 -4.075 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.810 17.161 -3.754 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.344 15.977 -5.324 1.00 0.00 C ATOM 0 H LEU A 133 4.898 13.417 -2.373 1.00 0.00 H new ATOM 0 HA LEU A 133 7.156 13.737 -3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.745 15.478 -1.977 1.00 0.00 H new ATOM 0 HB3 LEU A 133 7.191 16.035 -2.794 1.00 0.00 H new ATOM 0 HG LEU A 133 4.712 15.089 -4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.209 17.480 -4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 133 4.168 17.041 -2.882 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.570 17.913 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 133 5.725 16.309 -6.158 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.131 16.708 -5.142 1.00 0.00 H new ATOM 0 HD23 LEU A 133 6.793 15.014 -5.566 1.00 0.00 H new ATOM 1662 N GLU A 134 9.211 13.585 -2.639 1.00 0.00 N ATOM 1663 CA GLU A 134 10.431 13.374 -1.880 1.00 0.00 C ATOM 1664 C GLU A 134 10.960 14.709 -1.378 1.00 0.00 C ATOM 1665 O GLU A 134 11.413 15.519 -2.213 1.00 0.00 O ATOM 1666 CB GLU A 134 11.486 12.671 -2.739 1.00 0.00 C ATOM 1667 CG GLU A 134 12.815 12.463 -2.030 1.00 0.00 C ATOM 1668 CD GLU A 134 13.891 11.939 -2.956 1.00 0.00 C ATOM 1669 OE1 GLU A 134 13.996 12.444 -4.093 1.00 0.00 O ATOM 1670 OE2 GLU A 134 14.651 11.036 -2.547 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.914 14.945 -0.155 1.00 0.00 O ATOM 0 H GLU A 134 9.344 13.607 -3.650 1.00 0.00 H new ATOM 0 HA GLU A 134 10.208 12.735 -1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.098 11.703 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 134 11.655 13.257 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 134 13.143 13.407 -1.595 1.00 0.00 H new ATOM 0 HG3 GLU A 134 12.678 11.763 -1.206 1.00 0.00 H new