USER MOD reduce.3.24.130724 H: found=0, std=0, add=807, rem=0, adj=34 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 41 ASN : amide:sc= -0.813 K(o=0.7,f=-0.86) USER MOD Set 1.2: A 45 GLN : amide:sc= 0.695 K(o=0.7,f=-0.86!) USER MOD Set 1.3: A 131 THR OG1 : rot -103:sc= 0.817 USER MOD Set 2.1: A 104 SER OG : rot -103:sc= -0.231 USER MOD Set 2.2: A 120 SER OG : rot -154:sc= 1.48 USER MOD Set 3.1: A 113 SER OG : rot 180:sc= 0.117 USER MOD Set 3.2: A 115 SER OG : rot 78:sc= 0.12 USER MOD Set 4.1: A 62 GLN : amide:sc= 1.25 K(o=2.2,f=-4.9!) USER MOD Set 4.2: A 126 HIS : no HE2:sc= 0.928 K(o=2.2,f=-5.9!) USER MOD Set 5.1: A 38 THR OG1 : rot 6:sc= 0.341 USER MOD Set 5.2: A 40 SER OG : rot 172:sc= 0 USER MOD Set 5.3: A 47 GLN : amide:sc= -0.543 K(o=-0.35,f=-5.9!) USER MOD Set 5.4: A 58 MET CE :methyl 161:sc= -0.162 (180deg=-0.847) USER MOD Set 5.5: A 98 THR OG1 : rot 180:sc= 0.0121 USER MOD Set 5.6: A 127 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 38:sc= 1.29 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.209 X(o=-0.21,f=-0.066) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0448 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 157:sc= -0.111 (180deg=-0.565) USER MOD Single : A 57 HIS : no HE2:sc= 0.334 K(o=0.33,f=-1.2) USER MOD Single : A 61 SER OG : rot -102:sc= 0.521 USER MOD Single : A 63 SER OG : rot 71:sc= 2.02 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0383 USER MOD Single : A 69 LYS NZ :NH3+ -167:sc= -0.0067 (180deg=-0.139) USER MOD Single : A 70 GLN : amide:sc= 0.56 K(o=0.56,f=-0.67) USER MOD Single : A 75 SER OG : rot 49:sc= 1.27 USER MOD Single : A 76 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.66) USER MOD Single : A 78 SER OG : rot 90:sc= 0.922 USER MOD Single : A 79 LYS NZ :NH3+ 164:sc= -0.0375 (180deg=-0.346) USER MOD Single : A 82 GLN :FLIP amide:sc= -0.0512 F(o=-0.91,f=-0.051) USER MOD Single : A 85 ASN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 91 SER OG : rot 180:sc= -0.14 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.576 USER MOD Single : A 102 GLN : amide:sc= -2.5! C(o=-2.5!,f=-3.6!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 ASN : amide:sc= 0 K(o=0,f=-2.6!) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 HIS : no HE2:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 122 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 124 MET CE :methyl 154:sc= -0.254 (180deg=-1.09) USER MOD ----------------------------------------------------------------- ATOM 23 N LEU A 26 -8.314 -1.400 11.396 1.00 0.00 N ATOM 24 CA LEU A 26 -7.007 -1.247 10.779 1.00 0.00 C ATOM 25 C LEU A 26 -7.108 -0.340 9.563 1.00 0.00 C ATOM 26 O LEU A 26 -7.291 -0.806 8.441 1.00 0.00 O ATOM 27 CB LEU A 26 -6.435 -2.610 10.363 1.00 0.00 C ATOM 28 CG LEU A 26 -6.212 -3.614 11.497 1.00 0.00 C ATOM 29 CD1 LEU A 26 -5.739 -4.941 10.933 1.00 0.00 C ATOM 30 CD2 LEU A 26 -5.203 -3.081 12.504 1.00 0.00 C ATOM 0 HA LEU A 26 -6.335 -0.798 11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.110 -3.058 9.634 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -5.484 -2.444 9.858 1.00 0.00 H new ATOM 0 HG LEU A 26 -7.160 -3.765 12.013 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -5.583 -5.648 11.748 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -6.491 -5.335 10.250 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.802 -4.795 10.396 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.062 -3.812 13.300 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.251 -2.900 12.004 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.572 -2.148 12.930 1.00 0.00 H new ATOM 42 N SER A 27 -7.011 0.957 9.784 1.00 0.00 N ATOM 43 CA SER A 27 -7.063 1.908 8.691 1.00 0.00 C ATOM 44 C SER A 27 -5.760 2.689 8.634 1.00 0.00 C ATOM 45 O SER A 27 -5.160 2.978 9.670 1.00 0.00 O ATOM 46 CB SER A 27 -8.251 2.859 8.865 1.00 0.00 C ATOM 47 OG SER A 27 -8.492 3.602 7.682 1.00 0.00 O ATOM 0 H SER A 27 -6.896 1.375 10.707 1.00 0.00 H new ATOM 0 HA SER A 27 -7.196 1.368 7.754 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.142 2.288 9.126 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.056 3.541 9.692 1.00 0.00 H new ATOM 0 HG SER A 27 -8.340 3.031 6.900 1.00 0.00 H new ATOM 53 N TRP A 28 -5.331 3.043 7.426 1.00 0.00 N ATOM 54 CA TRP A 28 -4.064 3.751 7.236 1.00 0.00 C ATOM 55 C TRP A 28 -4.158 5.216 7.671 1.00 0.00 C ATOM 56 O TRP A 28 -3.323 6.043 7.302 1.00 0.00 O ATOM 57 CB TRP A 28 -3.593 3.651 5.775 1.00 0.00 C ATOM 58 CG TRP A 28 -4.576 4.155 4.744 1.00 0.00 C ATOM 59 CD1 TRP A 28 -5.693 4.919 4.954 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.509 3.935 3.330 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.327 5.169 3.761 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.618 4.579 2.748 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.619 3.249 2.498 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -5.857 4.559 1.375 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.856 3.232 1.137 1.00 0.00 C ATOM 66 CH2 TRP A 28 -4.968 3.882 0.587 1.00 0.00 C ATOM 0 H TRP A 28 -5.840 2.852 6.563 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.325 3.265 7.874 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.664 4.211 5.671 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.363 2.608 5.555 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.027 5.274 5.918 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.186 5.707 3.648 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.761 2.741 2.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -6.714 5.060 0.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.172 2.708 0.486 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.126 3.848 -0.481 1.00 0.00 H new ATOM 77 N TYR A 29 -5.181 5.528 8.453 1.00 0.00 N ATOM 78 CA TYR A 29 -5.363 6.864 8.986 1.00 0.00 C ATOM 79 C TYR A 29 -5.388 6.821 10.510 1.00 0.00 C ATOM 80 O TYR A 29 -5.652 7.828 11.166 1.00 0.00 O ATOM 81 CB TYR A 29 -6.653 7.485 8.453 1.00 0.00 C ATOM 82 CG TYR A 29 -6.423 8.756 7.668 1.00 0.00 C ATOM 83 CD1 TYR A 29 -6.108 8.712 6.314 1.00 0.00 C ATOM 84 CD2 TYR A 29 -6.513 10.000 8.281 1.00 0.00 C ATOM 85 CE1 TYR A 29 -5.890 9.871 5.595 1.00 0.00 C ATOM 86 CE2 TYR A 29 -6.298 11.163 7.568 1.00 0.00 C ATOM 87 CZ TYR A 29 -5.987 11.093 6.226 1.00 0.00 C ATOM 88 OH TYR A 29 -5.770 12.252 5.514 1.00 0.00 O ATOM 0 H TYR A 29 -5.903 4.864 8.733 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.525 7.483 8.664 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -7.162 6.760 7.817 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.319 7.698 9.290 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.033 7.756 5.817 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.755 10.058 9.332 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -5.645 9.820 4.544 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -6.373 12.122 8.059 1.00 0.00 H new ATOM 0 HH TYR A 29 -5.878 13.025 6.107 1.00 0.00 H new ATOM 98 N ASP A 30 -5.119 5.645 11.068 1.00 0.00 N ATOM 99 CA ASP A 30 -5.100 5.466 12.515 1.00 0.00 C ATOM 100 C ASP A 30 -3.679 5.590 13.040 1.00 0.00 C ATOM 101 O ASP A 30 -2.730 5.136 12.403 1.00 0.00 O ATOM 102 CB ASP A 30 -5.665 4.101 12.917 1.00 0.00 C ATOM 103 CG ASP A 30 -7.131 3.937 12.576 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.904 4.898 12.776 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.523 2.835 12.135 1.00 0.00 O ATOM 0 H ASP A 30 -4.910 4.799 10.538 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.726 6.245 12.950 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.093 3.318 12.419 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.530 3.961 13.990 1.00 0.00 H new ATOM 110 N PRO A 31 -3.523 6.199 14.226 1.00 0.00 N ATOM 111 CA PRO A 31 -2.210 6.435 14.836 1.00 0.00 C ATOM 112 C PRO A 31 -1.530 5.146 15.292 1.00 0.00 C ATOM 113 O PRO A 31 -0.344 5.143 15.615 1.00 0.00 O ATOM 114 CB PRO A 31 -2.529 7.330 16.038 1.00 0.00 C ATOM 115 CG PRO A 31 -3.949 7.035 16.369 1.00 0.00 C ATOM 116 CD PRO A 31 -4.622 6.718 15.062 1.00 0.00 C ATOM 0 HA PRO A 31 -1.512 6.882 14.128 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -1.873 7.109 16.880 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -2.391 8.383 15.794 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.022 6.195 17.059 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.422 7.889 16.854 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -5.414 5.980 15.187 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.078 7.604 14.620 1.00 0.00 H new ATOM 124 N ASP A 32 -2.286 4.054 15.314 1.00 0.00 N ATOM 125 CA ASP A 32 -1.747 2.758 15.720 1.00 0.00 C ATOM 126 C ASP A 32 -1.387 1.904 14.511 1.00 0.00 C ATOM 127 O ASP A 32 -0.936 0.767 14.659 1.00 0.00 O ATOM 128 CB ASP A 32 -2.744 2.000 16.596 1.00 0.00 C ATOM 129 CG ASP A 32 -2.268 1.865 18.028 1.00 0.00 C ATOM 130 OD1 ASP A 32 -1.301 1.112 18.273 1.00 0.00 O ATOM 131 OD2 ASP A 32 -2.852 2.516 18.918 1.00 0.00 O ATOM 0 H ASP A 32 -3.273 4.039 15.056 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.842 2.954 16.295 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.703 2.518 16.582 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -2.911 1.008 16.176 1.00 0.00 H new ATOM 136 N PHE A 33 -1.574 2.455 13.318 1.00 0.00 N ATOM 137 CA PHE A 33 -1.305 1.719 12.096 1.00 0.00 C ATOM 138 C PHE A 33 0.093 2.051 11.583 1.00 0.00 C ATOM 139 O PHE A 33 0.394 3.202 11.274 1.00 0.00 O ATOM 140 CB PHE A 33 -2.360 2.055 11.035 1.00 0.00 C ATOM 141 CG PHE A 33 -2.409 1.083 9.890 1.00 0.00 C ATOM 142 CD1 PHE A 33 -3.142 -0.089 9.995 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.738 1.345 8.707 1.00 0.00 C ATOM 144 CE1 PHE A 33 -3.206 -0.981 8.943 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.796 0.455 7.651 1.00 0.00 C ATOM 146 CZ PHE A 33 -2.532 -0.710 7.770 1.00 0.00 C ATOM 0 H PHE A 33 -1.910 3.407 13.174 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.354 0.651 12.307 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.340 2.089 11.511 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -2.161 3.052 10.643 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.670 -0.307 10.912 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -1.163 2.254 8.609 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.783 -1.889 9.038 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.267 0.669 6.734 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.579 -1.407 6.946 1.00 0.00 H new ATOM 156 N GLN A 34 0.953 1.045 11.527 1.00 0.00 N ATOM 157 CA GLN A 34 2.309 1.235 11.033 1.00 0.00 C ATOM 158 C GLN A 34 2.395 0.869 9.558 1.00 0.00 C ATOM 159 O GLN A 34 1.915 -0.190 9.147 1.00 0.00 O ATOM 160 CB GLN A 34 3.314 0.393 11.831 1.00 0.00 C ATOM 161 CG GLN A 34 3.734 0.991 13.166 1.00 0.00 C ATOM 162 CD GLN A 34 2.635 0.973 14.213 1.00 0.00 C ATOM 163 OE1 GLN A 34 2.485 0.003 14.954 1.00 0.00 O ATOM 164 NE2 GLN A 34 1.875 2.053 14.300 1.00 0.00 N ATOM 0 H GLN A 34 0.737 0.091 11.817 1.00 0.00 H new ATOM 0 HA GLN A 34 2.561 2.288 11.159 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.880 -0.591 12.011 1.00 0.00 H new ATOM 0 HB3 GLN A 34 4.205 0.242 11.221 1.00 0.00 H new ATOM 0 HG2 GLN A 34 4.595 0.441 13.546 1.00 0.00 H new ATOM 0 HG3 GLN A 34 4.057 2.020 13.008 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.030 2.838 13.667 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.134 2.100 15.000 1.00 0.00 H new ATOM 173 N ALA A 35 3.005 1.742 8.769 1.00 0.00 N ATOM 174 CA ALA A 35 3.194 1.493 7.348 1.00 0.00 C ATOM 175 C ALA A 35 4.554 2.007 6.895 1.00 0.00 C ATOM 176 O ALA A 35 5.115 2.916 7.507 1.00 0.00 O ATOM 177 CB ALA A 35 2.085 2.144 6.536 1.00 0.00 C ATOM 0 H ALA A 35 3.379 2.634 9.092 1.00 0.00 H new ATOM 0 HA ALA A 35 3.155 0.417 7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.245 1.946 5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.122 1.733 6.840 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.091 3.220 6.709 1.00 0.00 H new ATOM 183 N ARG A 36 5.081 1.419 5.834 1.00 0.00 N ATOM 184 CA ARG A 36 6.378 1.801 5.304 1.00 0.00 C ATOM 185 C ARG A 36 6.409 1.590 3.797 1.00 0.00 C ATOM 186 O ARG A 36 5.633 0.804 3.256 1.00 0.00 O ATOM 187 CB ARG A 36 7.488 0.977 5.978 1.00 0.00 C ATOM 188 CG ARG A 36 7.462 -0.507 5.627 1.00 0.00 C ATOM 189 CD ARG A 36 8.497 -0.852 4.566 1.00 0.00 C ATOM 190 NE ARG A 36 9.862 -0.845 5.095 1.00 0.00 N ATOM 191 CZ ARG A 36 10.891 -1.432 4.486 1.00 0.00 C ATOM 192 NH1 ARG A 36 10.732 -1.989 3.296 1.00 0.00 N ATOM 193 NH2 ARG A 36 12.087 -1.445 5.051 1.00 0.00 N ATOM 0 H ARG A 36 4.624 0.667 5.318 1.00 0.00 H new ATOM 0 HA ARG A 36 6.548 2.857 5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.456 1.390 5.693 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.401 1.085 7.059 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.650 -1.097 6.524 1.00 0.00 H new ATOM 0 HG3 ARG A 36 6.469 -0.779 5.269 1.00 0.00 H new ATOM 0 HD2 ARG A 36 8.275 -1.836 4.153 1.00 0.00 H new ATOM 0 HD3 ARG A 36 8.424 -0.138 3.746 1.00 0.00 H new ATOM 0 HE ARG A 36 10.035 -0.364 5.978 1.00 0.00 H new ATOM 0 HH11 ARG A 36 9.819 -1.970 2.842 1.00 0.00 H new ATOM 0 HH12 ARG A 36 11.523 -2.437 2.833 1.00 0.00 H new ATOM 0 HH21 ARG A 36 12.227 -1.003 5.960 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.870 -1.897 4.578 1.00 0.00 H new ATOM 206 N LEU A 37 7.288 2.309 3.125 1.00 0.00 N ATOM 207 CA LEU A 37 7.524 2.092 1.711 1.00 0.00 C ATOM 208 C LEU A 37 8.779 1.257 1.544 1.00 0.00 C ATOM 209 O LEU A 37 9.791 1.517 2.197 1.00 0.00 O ATOM 210 CB LEU A 37 7.672 3.429 0.987 1.00 0.00 C ATOM 211 CG LEU A 37 6.438 4.332 1.045 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.744 5.688 0.435 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.267 3.687 0.320 1.00 0.00 C ATOM 0 H LEU A 37 7.852 3.051 3.538 1.00 0.00 H new ATOM 0 HA LEU A 37 6.676 1.564 1.275 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.518 3.966 1.416 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.914 3.235 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 37 6.166 4.470 2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.856 6.318 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 37 7.555 6.161 0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 37 7.041 5.560 -0.606 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.399 4.345 0.373 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.533 3.520 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.028 2.733 0.791 1.00 0.00 H new ATOM 225 N THR A 38 8.687 0.231 0.705 1.00 0.00 N ATOM 226 CA THR A 38 9.810 -0.663 0.443 1.00 0.00 C ATOM 227 C THR A 38 11.061 0.111 0.054 1.00 0.00 C ATOM 228 O THR A 38 10.981 1.122 -0.653 1.00 0.00 O ATOM 229 CB THR A 38 9.487 -1.636 -0.704 1.00 0.00 C ATOM 230 OG1 THR A 38 9.074 -0.888 -1.852 1.00 0.00 O ATOM 231 CG2 THR A 38 8.402 -2.624 -0.311 1.00 0.00 C ATOM 0 H THR A 38 7.838 -0.004 0.190 1.00 0.00 H new ATOM 0 HA THR A 38 9.987 -1.213 1.367 1.00 0.00 H new ATOM 0 HB THR A 38 10.386 -2.208 -0.933 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.182 0.070 -1.675 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.201 -3.295 -1.146 1.00 0.00 H new ATOM 0 HG22 THR A 38 8.733 -3.205 0.550 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.492 -2.082 -0.054 1.00 0.00 H new ATOM 239 N ARG A 39 12.212 -0.384 0.489 1.00 0.00 N ATOM 240 CA ARG A 39 13.499 0.197 0.124 1.00 0.00 C ATOM 241 C ARG A 39 13.835 -0.183 -1.318 1.00 0.00 C ATOM 242 O ARG A 39 14.899 -0.732 -1.606 1.00 0.00 O ATOM 243 CB ARG A 39 14.583 -0.308 1.082 1.00 0.00 C ATOM 244 CG ARG A 39 14.213 -0.147 2.549 1.00 0.00 C ATOM 245 CD ARG A 39 14.436 1.272 3.046 1.00 0.00 C ATOM 246 NE ARG A 39 15.859 1.573 3.195 1.00 0.00 N ATOM 247 CZ ARG A 39 16.524 1.439 4.340 1.00 0.00 C ATOM 248 NH1 ARG A 39 15.877 1.088 5.443 1.00 0.00 N ATOM 249 NH2 ARG A 39 17.825 1.670 4.396 1.00 0.00 N ATOM 0 H ARG A 39 12.281 -1.196 1.102 1.00 0.00 H new ATOM 0 HA ARG A 39 13.449 1.283 0.199 1.00 0.00 H new ATOM 0 HB2 ARG A 39 14.777 -1.361 0.877 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.510 0.231 0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 39 13.167 -0.419 2.690 1.00 0.00 H new ATOM 0 HG3 ARG A 39 14.806 -0.837 3.149 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.985 1.978 2.348 1.00 0.00 H new ATOM 0 HD3 ARG A 39 13.933 1.406 4.004 1.00 0.00 H new ATOM 0 HE ARG A 39 16.370 1.904 2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.871 0.921 5.413 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.385 0.985 6.321 1.00 0.00 H new ATOM 0 HH21 ARG A 39 18.329 1.954 3.556 1.00 0.00 H new ATOM 0 HH22 ARG A 39 18.324 1.564 5.279 1.00 0.00 H new ATOM 262 N SER A 40 12.904 0.121 -2.213 1.00 0.00 N ATOM 263 CA SER A 40 12.984 -0.297 -3.600 1.00 0.00 C ATOM 264 C SER A 40 13.701 0.750 -4.448 1.00 0.00 C ATOM 265 O SER A 40 14.809 0.516 -4.933 1.00 0.00 O ATOM 266 CB SER A 40 11.568 -0.540 -4.143 1.00 0.00 C ATOM 267 OG SER A 40 11.593 -1.089 -5.450 1.00 0.00 O ATOM 0 H SER A 40 12.071 0.666 -1.993 1.00 0.00 H new ATOM 0 HA SER A 40 13.559 -1.222 -3.653 1.00 0.00 H new ATOM 0 HB2 SER A 40 11.033 -1.215 -3.475 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.016 0.400 -4.154 1.00 0.00 H new ATOM 0 HG SER A 40 10.686 -1.349 -5.713 1.00 0.00 H new ATOM 273 N ASN A 41 13.078 1.913 -4.601 1.00 0.00 N ATOM 274 CA ASN A 41 13.603 2.938 -5.490 1.00 0.00 C ATOM 275 C ASN A 41 13.808 4.254 -4.751 1.00 0.00 C ATOM 276 O ASN A 41 14.920 4.767 -4.682 1.00 0.00 O ATOM 277 CB ASN A 41 12.656 3.142 -6.676 1.00 0.00 C ATOM 278 CG ASN A 41 13.179 4.149 -7.685 1.00 0.00 C ATOM 279 OD1 ASN A 41 12.401 4.871 -8.307 1.00 0.00 O ATOM 280 ND2 ASN A 41 14.492 4.189 -7.874 1.00 0.00 N ATOM 0 H ASN A 41 12.214 2.167 -4.123 1.00 0.00 H new ATOM 0 HA ASN A 41 14.572 2.602 -5.859 1.00 0.00 H new ATOM 0 HB2 ASN A 41 12.495 2.186 -7.174 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.686 3.476 -6.307 1.00 0.00 H new ATOM 0 HD21 ASN A 41 14.890 4.835 -8.556 1.00 0.00 H new ATOM 0 HD22 ASN A 41 15.103 3.573 -7.338 1.00 0.00 H new ATOM 287 N SER A 42 12.736 4.790 -4.194 1.00 0.00 N ATOM 288 CA SER A 42 12.799 6.053 -3.483 1.00 0.00 C ATOM 289 C SER A 42 12.293 5.874 -2.064 1.00 0.00 C ATOM 290 O SER A 42 11.398 5.068 -1.807 1.00 0.00 O ATOM 291 CB SER A 42 11.964 7.110 -4.217 1.00 0.00 C ATOM 292 OG SER A 42 11.925 8.336 -3.504 1.00 0.00 O ATOM 0 H SER A 42 11.808 4.367 -4.221 1.00 0.00 H new ATOM 0 HA SER A 42 13.835 6.390 -3.446 1.00 0.00 H new ATOM 0 HB2 SER A 42 12.382 7.279 -5.209 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.949 6.738 -4.358 1.00 0.00 H new ATOM 0 HG SER A 42 11.386 8.987 -4.001 1.00 0.00 H new ATOM 298 N LYS A 43 12.889 6.624 -1.148 1.00 0.00 N ATOM 299 CA LYS A 43 12.485 6.611 0.252 1.00 0.00 C ATOM 300 C LYS A 43 11.036 7.066 0.401 1.00 0.00 C ATOM 301 O LYS A 43 10.378 6.756 1.392 1.00 0.00 O ATOM 302 CB LYS A 43 13.399 7.514 1.083 1.00 0.00 C ATOM 303 CG LYS A 43 13.471 8.949 0.579 1.00 0.00 C ATOM 304 CD LYS A 43 14.142 9.863 1.590 1.00 0.00 C ATOM 305 CE LYS A 43 13.337 9.945 2.876 1.00 0.00 C ATOM 306 NZ LYS A 43 13.965 10.853 3.868 1.00 0.00 N ATOM 0 H LYS A 43 13.663 7.256 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 43 12.570 5.588 0.617 1.00 0.00 H new ATOM 0 HB2 LYS A 43 13.048 7.519 2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 43 14.403 7.091 1.090 1.00 0.00 H new ATOM 0 HG2 LYS A 43 14.022 8.978 -0.361 1.00 0.00 H new ATOM 0 HG3 LYS A 43 12.465 9.313 0.370 1.00 0.00 H new ATOM 0 HD2 LYS A 43 15.144 9.494 1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 43 14.255 10.860 1.164 1.00 0.00 H new ATOM 0 HE2 LYS A 43 12.329 10.295 2.651 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.240 8.949 3.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.384 10.880 4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.917 10.506 4.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 14.035 11.810 3.467 1.00 0.00 H new ATOM 319 N CYS A 44 10.553 7.811 -0.583 1.00 0.00 N ATOM 320 CA CYS A 44 9.167 8.246 -0.596 1.00 0.00 C ATOM 321 C CYS A 44 8.445 7.692 -1.826 1.00 0.00 C ATOM 322 O CYS A 44 7.468 8.272 -2.290 1.00 0.00 O ATOM 323 CB CYS A 44 9.077 9.778 -0.577 1.00 0.00 C ATOM 324 SG CYS A 44 9.882 10.580 0.856 1.00 0.00 S ATOM 0 H CYS A 44 11.102 8.126 -1.383 1.00 0.00 H new ATOM 0 HA CYS A 44 8.682 7.860 0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.527 10.165 -1.491 1.00 0.00 H new ATOM 0 HB3 CYS A 44 8.026 10.066 -0.592 1.00 0.00 H new ATOM 329 N GLN A 45 8.927 6.571 -2.356 1.00 0.00 N ATOM 330 CA GLN A 45 8.299 5.942 -3.517 1.00 0.00 C ATOM 331 C GLN A 45 8.688 4.472 -3.627 1.00 0.00 C ATOM 332 O GLN A 45 9.828 4.137 -3.960 1.00 0.00 O ATOM 333 CB GLN A 45 8.672 6.665 -4.814 1.00 0.00 C ATOM 334 CG GLN A 45 8.173 5.960 -6.071 1.00 0.00 C ATOM 335 CD GLN A 45 8.557 6.682 -7.345 1.00 0.00 C ATOM 336 OE1 GLN A 45 7.821 7.534 -7.832 1.00 0.00 O ATOM 337 NE2 GLN A 45 9.714 6.344 -7.897 1.00 0.00 N ATOM 0 H GLN A 45 9.748 6.080 -2.002 1.00 0.00 H new ATOM 0 HA GLN A 45 7.221 6.014 -3.372 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.263 7.675 -4.788 1.00 0.00 H new ATOM 0 HB3 GLN A 45 9.756 6.761 -4.868 1.00 0.00 H new ATOM 0 HG2 GLN A 45 8.576 4.948 -6.098 1.00 0.00 H new ATOM 0 HG3 GLN A 45 7.088 5.870 -6.024 1.00 0.00 H new ATOM 0 HE21 GLN A 45 10.298 5.630 -7.461 1.00 0.00 H new ATOM 0 HE22 GLN A 45 10.020 6.798 -8.758 1.00 0.00 H new ATOM 346 N GLY A 46 7.724 3.610 -3.370 1.00 0.00 N ATOM 347 CA GLY A 46 7.948 2.184 -3.451 1.00 0.00 C ATOM 348 C GLY A 46 6.671 1.420 -3.194 1.00 0.00 C ATOM 349 O GLY A 46 5.591 2.016 -3.143 1.00 0.00 O ATOM 0 H GLY A 46 6.776 3.875 -3.103 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.336 1.929 -4.437 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.705 1.889 -2.724 1.00 0.00 H new ATOM 353 N GLN A 47 6.781 0.111 -3.034 1.00 0.00 N ATOM 354 CA GLN A 47 5.630 -0.706 -2.695 1.00 0.00 C ATOM 355 C GLN A 47 5.233 -0.446 -1.248 1.00 0.00 C ATOM 356 O GLN A 47 6.095 -0.308 -0.376 1.00 0.00 O ATOM 357 CB GLN A 47 5.924 -2.199 -2.899 1.00 0.00 C ATOM 358 CG GLN A 47 6.408 -2.563 -4.299 1.00 0.00 C ATOM 359 CD GLN A 47 7.908 -2.411 -4.465 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.406 -1.351 -4.848 1.00 0.00 O ATOM 361 NE2 GLN A 47 8.639 -3.477 -4.173 1.00 0.00 N ATOM 0 H GLN A 47 7.654 -0.407 -3.133 1.00 0.00 H new ATOM 0 HA GLN A 47 4.808 -0.435 -3.358 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.678 -2.510 -2.176 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.020 -2.767 -2.682 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.126 -3.593 -4.519 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.901 -1.931 -5.028 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.186 -4.335 -3.859 1.00 0.00 H new ATOM 0 HE22 GLN A 47 9.654 -3.439 -4.262 1.00 0.00 H new ATOM 370 N LEU A 48 3.940 -0.354 -1.000 1.00 0.00 N ATOM 371 CA LEU A 48 3.440 -0.075 0.335 1.00 0.00 C ATOM 372 C LEU A 48 3.439 -1.336 1.189 1.00 0.00 C ATOM 373 O LEU A 48 2.750 -2.310 0.881 1.00 0.00 O ATOM 374 CB LEU A 48 2.025 0.507 0.259 1.00 0.00 C ATOM 375 CG LEU A 48 1.420 0.943 1.598 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.176 2.129 2.178 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.049 1.290 1.423 1.00 0.00 C ATOM 0 H LEU A 48 3.214 -0.469 -1.707 1.00 0.00 H new ATOM 0 HA LEU A 48 4.102 0.655 0.800 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.040 1.367 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.368 -0.237 -0.192 1.00 0.00 H new ATOM 0 HG LEU A 48 1.506 0.111 2.297 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.726 2.418 3.128 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.218 1.853 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.126 2.967 1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.467 1.598 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.147 2.105 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.588 0.416 1.056 1.00 0.00 H new ATOM 389 N GLU A 49 4.230 -1.317 2.248 1.00 0.00 N ATOM 390 CA GLU A 49 4.230 -2.390 3.225 1.00 0.00 C ATOM 391 C GLU A 49 3.537 -1.926 4.490 1.00 0.00 C ATOM 392 O GLU A 49 3.871 -0.881 5.048 1.00 0.00 O ATOM 393 CB GLU A 49 5.651 -2.855 3.555 1.00 0.00 C ATOM 394 CG GLU A 49 6.265 -3.753 2.499 1.00 0.00 C ATOM 395 CD GLU A 49 7.644 -4.244 2.890 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.619 -3.480 2.745 1.00 0.00 O ATOM 397 OE2 GLU A 49 7.761 -5.400 3.343 1.00 0.00 O ATOM 0 H GLU A 49 4.885 -0.563 2.453 1.00 0.00 H new ATOM 0 HA GLU A 49 3.693 -3.236 2.795 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.287 -1.980 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.637 -3.387 4.506 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.612 -4.609 2.329 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.329 -3.210 1.556 1.00 0.00 H new ATOM 404 N VAL A 50 2.566 -2.696 4.929 1.00 0.00 N ATOM 405 CA VAL A 50 1.824 -2.366 6.128 1.00 0.00 C ATOM 406 C VAL A 50 2.099 -3.394 7.212 1.00 0.00 C ATOM 407 O VAL A 50 2.407 -4.554 6.921 1.00 0.00 O ATOM 408 CB VAL A 50 0.306 -2.277 5.864 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.003 -1.183 4.853 1.00 0.00 C ATOM 410 CG2 VAL A 50 -0.250 -3.615 5.394 1.00 0.00 C ATOM 0 H VAL A 50 2.270 -3.559 4.472 1.00 0.00 H new ATOM 0 HA VAL A 50 2.161 -1.384 6.459 1.00 0.00 H new ATOM 0 HB VAL A 50 -0.185 -2.024 6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -1.072 -1.135 4.680 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.351 -0.225 5.238 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.512 -1.403 3.915 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.321 -3.522 5.216 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.247 -3.911 4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.074 -4.371 6.159 1.00 0.00 H new ATOM 420 N TYR A 51 2.016 -2.965 8.457 1.00 0.00 N ATOM 421 CA TYR A 51 2.267 -3.852 9.575 1.00 0.00 C ATOM 422 C TYR A 51 0.983 -4.531 10.017 1.00 0.00 C ATOM 423 O TYR A 51 0.110 -3.907 10.624 1.00 0.00 O ATOM 424 CB TYR A 51 2.894 -3.095 10.749 1.00 0.00 C ATOM 425 CG TYR A 51 3.173 -3.979 11.950 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.193 -4.923 11.921 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.413 -3.872 13.111 1.00 0.00 C ATOM 428 CE1 TYR A 51 4.443 -5.735 13.010 1.00 0.00 C ATOM 429 CE2 TYR A 51 2.661 -4.681 14.203 1.00 0.00 C ATOM 430 CZ TYR A 51 3.676 -5.609 14.147 1.00 0.00 C ATOM 431 OH TYR A 51 3.924 -6.419 15.232 1.00 0.00 O ATOM 0 H TYR A 51 1.777 -2.009 8.719 1.00 0.00 H new ATOM 0 HA TYR A 51 2.972 -4.615 9.244 1.00 0.00 H new ATOM 0 HB2 TYR A 51 3.826 -2.635 10.420 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.228 -2.286 11.049 1.00 0.00 H new ATOM 0 HD1 TYR A 51 4.800 -5.023 11.033 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.616 -3.145 13.159 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.237 -6.466 12.970 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.061 -4.586 15.096 1.00 0.00 H new ATOM 0 HH TYR A 51 3.296 -6.202 15.952 1.00 0.00 H new ATOM 441 N LEU A 52 0.867 -5.807 9.696 1.00 0.00 N ATOM 442 CA LEU A 52 -0.246 -6.607 10.170 1.00 0.00 C ATOM 443 C LEU A 52 0.165 -7.327 11.443 1.00 0.00 C ATOM 444 O LEU A 52 1.340 -7.280 11.819 1.00 0.00 O ATOM 445 CB LEU A 52 -0.721 -7.607 9.108 1.00 0.00 C ATOM 446 CG LEU A 52 -2.006 -7.218 8.366 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.822 -5.932 7.576 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.453 -8.347 7.453 1.00 0.00 C ATOM 0 H LEU A 52 1.531 -6.311 9.108 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.086 -5.945 10.379 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.075 -7.739 8.376 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.877 -8.574 9.587 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.783 -7.042 9.110 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.751 -5.685 7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.556 -5.122 8.256 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.026 -6.066 6.843 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.366 -8.055 6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -1.671 -8.556 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.643 -9.241 8.046 1.00 0.00 H new ATOM 460 N LYS A 53 -0.774 -7.988 12.100 1.00 0.00 N ATOM 461 CA LYS A 53 -0.495 -8.636 13.379 1.00 0.00 C ATOM 462 C LYS A 53 0.688 -9.603 13.268 1.00 0.00 C ATOM 463 O LYS A 53 1.463 -9.765 14.211 1.00 0.00 O ATOM 464 CB LYS A 53 -1.737 -9.375 13.884 1.00 0.00 C ATOM 465 CG LYS A 53 -1.669 -9.728 15.359 1.00 0.00 C ATOM 466 CD LYS A 53 -2.929 -10.438 15.826 1.00 0.00 C ATOM 467 CE LYS A 53 -2.982 -10.518 17.343 1.00 0.00 C ATOM 468 NZ LYS A 53 -3.050 -9.167 17.965 1.00 0.00 N ATOM 0 H LYS A 53 -1.735 -8.092 11.773 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.228 -7.859 14.096 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.617 -8.756 13.706 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -1.868 -10.289 13.305 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.804 -10.365 15.541 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.525 -8.820 15.944 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.807 -9.908 15.456 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.961 -11.443 15.404 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.851 -11.102 17.646 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.101 -11.044 17.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.466 -9.243 18.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.092 -8.769 18.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.640 -8.544 17.378 1.00 0.00 H new ATOM 481 N ASP A 54 0.840 -10.211 12.099 1.00 0.00 N ATOM 482 CA ASP A 54 1.897 -11.190 11.880 1.00 0.00 C ATOM 483 C ASP A 54 3.008 -10.650 10.982 1.00 0.00 C ATOM 484 O ASP A 54 3.582 -11.390 10.183 1.00 0.00 O ATOM 485 CB ASP A 54 1.324 -12.481 11.288 1.00 0.00 C ATOM 486 CG ASP A 54 0.680 -13.365 12.338 1.00 0.00 C ATOM 487 OD1 ASP A 54 -0.395 -13.001 12.856 1.00 0.00 O ATOM 488 OD2 ASP A 54 1.257 -14.430 12.658 1.00 0.00 O ATOM 0 H ASP A 54 0.245 -10.044 11.288 1.00 0.00 H new ATOM 0 HA ASP A 54 2.337 -11.406 12.854 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.586 -12.231 10.526 1.00 0.00 H new ATOM 0 HB3 ASP A 54 2.121 -13.034 10.791 1.00 0.00 H new ATOM 493 N GLY A 55 3.299 -9.359 11.091 1.00 0.00 N ATOM 494 CA GLY A 55 4.483 -8.820 10.440 1.00 0.00 C ATOM 495 C GLY A 55 4.186 -7.895 9.272 1.00 0.00 C ATOM 496 O GLY A 55 3.028 -7.719 8.874 1.00 0.00 O ATOM 0 H GLY A 55 2.744 -8.680 11.612 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.074 -8.277 11.178 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.098 -9.648 10.086 1.00 0.00 H new ATOM 500 N TRP A 56 5.249 -7.321 8.716 1.00 0.00 N ATOM 501 CA TRP A 56 5.144 -6.384 7.603 1.00 0.00 C ATOM 502 C TRP A 56 4.854 -7.122 6.306 1.00 0.00 C ATOM 503 O TRP A 56 5.449 -8.162 6.028 1.00 0.00 O ATOM 504 CB TRP A 56 6.439 -5.582 7.460 1.00 0.00 C ATOM 505 CG TRP A 56 6.719 -4.682 8.624 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.434 -4.984 9.751 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.292 -3.326 8.772 1.00 0.00 C ATOM 508 NE1 TRP A 56 7.469 -3.898 10.588 1.00 0.00 N ATOM 509 CE2 TRP A 56 6.777 -2.869 10.009 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.545 -2.453 7.978 1.00 0.00 C ATOM 511 CZ2 TRP A 56 6.538 -1.579 10.470 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.309 -1.174 8.434 1.00 0.00 C ATOM 513 CH2 TRP A 56 5.805 -0.746 9.671 1.00 0.00 C ATOM 0 H TRP A 56 6.206 -7.492 9.024 1.00 0.00 H new ATOM 0 HA TRP A 56 4.320 -5.701 7.811 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.273 -6.273 7.337 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.386 -4.982 6.552 1.00 0.00 H new ATOM 0 HD1 TRP A 56 7.902 -5.937 9.952 1.00 0.00 H new ATOM 0 HE1 TRP A 56 7.935 -3.863 11.495 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.159 -2.775 7.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 6.918 -1.247 11.425 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 4.732 -0.491 7.827 1.00 0.00 H new ATOM 0 HH2 TRP A 56 5.605 0.263 10.001 1.00 0.00 H new ATOM 524 N HIS A 57 3.934 -6.588 5.517 1.00 0.00 N ATOM 525 CA HIS A 57 3.534 -7.231 4.274 1.00 0.00 C ATOM 526 C HIS A 57 3.241 -6.201 3.191 1.00 0.00 C ATOM 527 O HIS A 57 2.687 -5.135 3.467 1.00 0.00 O ATOM 528 CB HIS A 57 2.297 -8.100 4.507 1.00 0.00 C ATOM 529 CG HIS A 57 2.581 -9.403 5.194 1.00 0.00 C ATOM 530 ND1 HIS A 57 2.559 -9.562 6.567 1.00 0.00 N ATOM 531 CD2 HIS A 57 2.876 -10.621 4.682 1.00 0.00 C ATOM 532 CE1 HIS A 57 2.825 -10.821 6.864 1.00 0.00 C ATOM 533 NE2 HIS A 57 3.020 -11.483 5.740 1.00 0.00 N ATOM 0 H HIS A 57 3.451 -5.712 5.715 1.00 0.00 H new ATOM 0 HA HIS A 57 4.361 -7.857 3.938 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.578 -7.537 5.103 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.824 -8.304 3.546 1.00 0.00 H new ATOM 0 HD1 HIS A 57 2.368 -8.823 7.244 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.979 -10.868 3.636 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.874 -11.238 7.859 1.00 0.00 H new ATOM 541 N MET A 58 3.624 -6.536 1.965 1.00 0.00 N ATOM 542 CA MET A 58 3.366 -5.689 0.803 1.00 0.00 C ATOM 543 C MET A 58 1.888 -5.717 0.453 1.00 0.00 C ATOM 544 O MET A 58 1.265 -6.770 0.492 1.00 0.00 O ATOM 545 CB MET A 58 4.169 -6.184 -0.405 1.00 0.00 C ATOM 546 CG MET A 58 5.676 -6.150 -0.219 1.00 0.00 C ATOM 547 SD MET A 58 6.554 -6.984 -1.560 1.00 0.00 S ATOM 548 CE MET A 58 5.820 -6.204 -2.997 1.00 0.00 C ATOM 0 H MET A 58 4.121 -7.400 1.747 1.00 0.00 H new ATOM 0 HA MET A 58 3.667 -4.671 1.050 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.867 -7.207 -0.631 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.909 -5.576 -1.271 1.00 0.00 H new ATOM 0 HG2 MET A 58 6.009 -5.114 -0.160 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.933 -6.622 0.729 1.00 0.00 H new ATOM 0 HE1 MET A 58 6.468 -6.350 -3.861 1.00 0.00 H new ATOM 0 HE2 MET A 58 4.845 -6.650 -3.195 1.00 0.00 H new ATOM 0 HE3 MET A 58 5.700 -5.137 -2.810 1.00 0.00 H new ATOM 558 N VAL A 59 1.328 -4.571 0.108 1.00 0.00 N ATOM 559 CA VAL A 59 -0.069 -4.510 -0.299 1.00 0.00 C ATOM 560 C VAL A 59 -0.184 -4.616 -1.817 1.00 0.00 C ATOM 561 O VAL A 59 0.538 -3.941 -2.550 1.00 0.00 O ATOM 562 CB VAL A 59 -0.749 -3.202 0.175 1.00 0.00 C ATOM 563 CG1 VAL A 59 -2.210 -3.157 -0.261 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.647 -3.053 1.686 1.00 0.00 C ATOM 0 H VAL A 59 1.814 -3.674 0.101 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.579 -5.351 0.170 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.224 -2.368 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.664 -2.228 0.084 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.267 -3.206 -1.348 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.744 -4.004 0.169 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.132 -2.127 1.994 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.138 -3.898 2.169 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.403 -3.028 1.979 1.00 0.00 H new ATOM 574 N CYS A 60 -1.066 -5.490 -2.283 1.00 0.00 N ATOM 575 CA CYS A 60 -1.371 -5.581 -3.704 1.00 0.00 C ATOM 576 C CYS A 60 -2.373 -4.495 -4.097 1.00 0.00 C ATOM 577 O CYS A 60 -3.302 -4.195 -3.347 1.00 0.00 O ATOM 578 CB CYS A 60 -1.932 -6.966 -4.051 1.00 0.00 C ATOM 579 SG CYS A 60 -0.718 -8.322 -3.945 1.00 0.00 S ATOM 0 H CYS A 60 -1.583 -6.146 -1.697 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.448 -5.433 -4.264 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -2.763 -7.186 -3.381 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.338 -6.937 -5.062 1.00 0.00 H new ATOM 584 N SER A 61 -2.186 -3.912 -5.274 1.00 0.00 N ATOM 585 CA SER A 61 -3.021 -2.806 -5.729 1.00 0.00 C ATOM 586 C SER A 61 -4.390 -3.281 -6.221 1.00 0.00 C ATOM 587 O SER A 61 -5.243 -2.472 -6.574 1.00 0.00 O ATOM 588 CB SER A 61 -2.288 -2.031 -6.823 1.00 0.00 C ATOM 589 OG SER A 61 -1.596 -2.914 -7.692 1.00 0.00 O ATOM 0 H SER A 61 -1.460 -4.188 -5.935 1.00 0.00 H new ATOM 0 HA SER A 61 -3.206 -2.149 -4.879 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.002 -1.437 -7.394 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.583 -1.333 -6.370 1.00 0.00 H new ATOM 0 HG SER A 61 -0.643 -2.916 -7.465 1.00 0.00 H new ATOM 595 N GLN A 62 -4.595 -4.594 -6.235 1.00 0.00 N ATOM 596 CA GLN A 62 -5.898 -5.155 -6.580 1.00 0.00 C ATOM 597 C GLN A 62 -6.795 -5.248 -5.349 1.00 0.00 C ATOM 598 O GLN A 62 -7.889 -5.811 -5.406 1.00 0.00 O ATOM 599 CB GLN A 62 -5.748 -6.536 -7.228 1.00 0.00 C ATOM 600 CG GLN A 62 -5.730 -6.506 -8.750 1.00 0.00 C ATOM 601 CD GLN A 62 -4.647 -5.612 -9.320 1.00 0.00 C ATOM 602 OE1 GLN A 62 -3.527 -6.057 -9.575 1.00 0.00 O ATOM 603 NE2 GLN A 62 -4.971 -4.346 -9.525 1.00 0.00 N ATOM 0 H GLN A 62 -3.880 -5.287 -6.013 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.366 -4.484 -7.301 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.825 -6.995 -6.873 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.568 -7.173 -6.897 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.589 -7.520 -9.125 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.700 -6.165 -9.111 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.910 -4.017 -9.300 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.282 -3.699 -9.908 1.00 0.00 H new ATOM 612 N SER A 63 -6.328 -4.689 -4.240 1.00 0.00 N ATOM 613 CA SER A 63 -7.103 -4.668 -3.014 1.00 0.00 C ATOM 614 C SER A 63 -8.295 -3.731 -3.159 1.00 0.00 C ATOM 615 O SER A 63 -8.243 -2.768 -3.924 1.00 0.00 O ATOM 616 CB SER A 63 -6.225 -4.219 -1.841 1.00 0.00 C ATOM 617 OG SER A 63 -5.143 -5.115 -1.646 1.00 0.00 O ATOM 0 H SER A 63 -5.413 -4.244 -4.168 1.00 0.00 H new ATOM 0 HA SER A 63 -7.469 -5.676 -2.817 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.842 -3.216 -2.031 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.825 -4.164 -0.933 1.00 0.00 H new ATOM 0 HG SER A 63 -4.505 -5.022 -2.384 1.00 0.00 H new ATOM 623 N TRP A 64 -9.365 -4.040 -2.434 1.00 0.00 N ATOM 624 CA TRP A 64 -10.585 -3.226 -2.429 1.00 0.00 C ATOM 625 C TRP A 64 -11.205 -3.137 -3.824 1.00 0.00 C ATOM 626 O TRP A 64 -11.958 -2.210 -4.123 1.00 0.00 O ATOM 627 CB TRP A 64 -10.294 -1.817 -1.894 1.00 0.00 C ATOM 628 CG TRP A 64 -9.521 -1.811 -0.608 1.00 0.00 C ATOM 629 CD1 TRP A 64 -9.921 -2.315 0.593 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.215 -1.262 -0.401 1.00 0.00 C ATOM 631 NE1 TRP A 64 -8.944 -2.115 1.537 1.00 0.00 N ATOM 632 CE2 TRP A 64 -7.885 -1.473 0.952 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.292 -0.617 -1.226 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.670 -1.059 1.494 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.089 -0.206 -0.688 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.786 -0.429 0.659 1.00 0.00 C ATOM 0 H TRP A 64 -9.415 -4.861 -1.831 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.301 -3.716 -1.769 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.736 -1.260 -2.646 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.238 -1.292 -1.744 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -10.868 -2.801 0.776 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -8.998 -2.399 2.515 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.515 -0.442 -2.268 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.434 -1.229 2.534 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.370 0.296 -1.318 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.835 -0.097 1.049 1.00 0.00 H new ATOM 647 N GLY A 65 -10.880 -4.107 -4.672 1.00 0.00 N ATOM 648 CA GLY A 65 -11.430 -4.139 -6.013 1.00 0.00 C ATOM 649 C GLY A 65 -10.930 -2.995 -6.875 1.00 0.00 C ATOM 650 O GLY A 65 -11.718 -2.306 -7.527 1.00 0.00 O ATOM 0 H GLY A 65 -10.244 -4.873 -4.453 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.170 -5.086 -6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -12.518 -4.098 -5.957 1.00 0.00 H new ATOM 654 N ARG A 66 -9.623 -2.771 -6.867 1.00 0.00 N ATOM 655 CA ARG A 66 -9.030 -1.713 -7.672 1.00 0.00 C ATOM 656 C ARG A 66 -8.340 -2.291 -8.904 1.00 0.00 C ATOM 657 O ARG A 66 -7.567 -3.248 -8.812 1.00 0.00 O ATOM 658 CB ARG A 66 -8.036 -0.895 -6.844 1.00 0.00 C ATOM 659 CG ARG A 66 -8.658 -0.148 -5.669 1.00 0.00 C ATOM 660 CD ARG A 66 -9.620 0.946 -6.125 1.00 0.00 C ATOM 661 NE ARG A 66 -10.868 0.404 -6.668 1.00 0.00 N ATOM 662 CZ ARG A 66 -11.781 1.138 -7.296 1.00 0.00 C ATOM 663 NH1 ARG A 66 -11.613 2.447 -7.415 1.00 0.00 N ATOM 664 NH2 ARG A 66 -12.881 0.572 -7.773 1.00 0.00 N ATOM 0 H ARG A 66 -8.955 -3.307 -6.313 1.00 0.00 H new ATOM 0 HA ARG A 66 -9.832 -1.053 -8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.262 -1.562 -6.465 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.544 -0.174 -7.497 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.190 -0.855 -5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.868 0.295 -5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.847 1.600 -5.283 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.134 1.560 -6.883 1.00 0.00 H new ATOM 0 HE ARG A 66 -11.047 -0.594 -6.558 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.782 2.892 -7.025 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -12.314 3.009 -7.897 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -13.029 -0.431 -7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.579 1.139 -8.254 1.00 0.00 H new ATOM 677 N SER A 67 -8.641 -1.707 -10.054 1.00 0.00 N ATOM 678 CA SER A 67 -8.052 -2.124 -11.317 1.00 0.00 C ATOM 679 C SER A 67 -6.680 -1.479 -11.512 1.00 0.00 C ATOM 680 O SER A 67 -6.257 -0.642 -10.713 1.00 0.00 O ATOM 681 CB SER A 67 -8.985 -1.734 -12.462 1.00 0.00 C ATOM 682 OG SER A 67 -10.297 -2.219 -12.232 1.00 0.00 O ATOM 0 H SER A 67 -9.299 -0.932 -10.138 1.00 0.00 H new ATOM 0 HA SER A 67 -7.919 -3.206 -11.307 1.00 0.00 H new ATOM 0 HB2 SER A 67 -9.007 -0.649 -12.565 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.603 -2.136 -13.401 1.00 0.00 H new ATOM 0 HG SER A 67 -10.878 -1.956 -12.976 1.00 0.00 H new ATOM 688 N SER A 68 -5.998 -1.857 -12.587 1.00 0.00 N ATOM 689 CA SER A 68 -4.650 -1.381 -12.857 1.00 0.00 C ATOM 690 C SER A 68 -4.657 0.020 -13.475 1.00 0.00 C ATOM 691 O SER A 68 -4.098 0.246 -14.549 1.00 0.00 O ATOM 692 CB SER A 68 -3.934 -2.376 -13.772 1.00 0.00 C ATOM 693 OG SER A 68 -4.792 -2.821 -14.813 1.00 0.00 O ATOM 0 H SER A 68 -6.363 -2.498 -13.291 1.00 0.00 H new ATOM 0 HA SER A 68 -4.113 -1.308 -11.911 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.048 -1.908 -14.201 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.592 -3.230 -13.188 1.00 0.00 H new ATOM 0 HG SER A 68 -4.311 -3.455 -15.385 1.00 0.00 H new ATOM 699 N LYS A 69 -5.290 0.957 -12.786 1.00 0.00 N ATOM 700 CA LYS A 69 -5.343 2.341 -13.231 1.00 0.00 C ATOM 701 C LYS A 69 -5.017 3.275 -12.073 1.00 0.00 C ATOM 702 O LYS A 69 -5.299 2.965 -10.916 1.00 0.00 O ATOM 703 CB LYS A 69 -6.721 2.682 -13.811 1.00 0.00 C ATOM 704 CG LYS A 69 -6.980 2.080 -15.186 1.00 0.00 C ATOM 705 CD LYS A 69 -8.326 2.519 -15.741 1.00 0.00 C ATOM 706 CE LYS A 69 -9.481 1.847 -15.015 1.00 0.00 C ATOM 707 NZ LYS A 69 -9.566 0.393 -15.321 1.00 0.00 N ATOM 0 H LYS A 69 -5.779 0.781 -11.908 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.601 2.473 -14.019 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.490 2.333 -13.122 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.819 3.766 -13.876 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -6.187 2.380 -15.871 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.949 0.992 -15.120 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.421 3.601 -15.652 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -8.376 2.281 -16.804 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.362 1.984 -13.940 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -10.416 2.331 -15.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.480 0.022 -14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -9.484 0.249 -16.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.794 -0.109 -14.838 1.00 0.00 H new ATOM 720 N GLN A 70 -4.410 4.407 -12.396 1.00 0.00 N ATOM 721 CA GLN A 70 -4.015 5.390 -11.398 1.00 0.00 C ATOM 722 C GLN A 70 -5.228 6.249 -11.027 1.00 0.00 C ATOM 723 O GLN A 70 -5.612 7.148 -11.776 1.00 0.00 O ATOM 724 CB GLN A 70 -2.878 6.257 -11.972 1.00 0.00 C ATOM 725 CG GLN A 70 -1.960 6.910 -10.939 1.00 0.00 C ATOM 726 CD GLN A 70 -2.648 7.959 -10.087 1.00 0.00 C ATOM 727 OE1 GLN A 70 -2.720 9.128 -10.457 1.00 0.00 O ATOM 728 NE2 GLN A 70 -3.116 7.558 -8.922 1.00 0.00 N ATOM 0 H GLN A 70 -4.178 4.670 -13.354 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.656 4.895 -10.496 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.270 5.638 -12.632 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -3.319 7.041 -12.588 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -1.552 6.137 -10.288 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.117 7.370 -11.455 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.037 6.578 -8.651 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.557 8.228 -8.292 1.00 0.00 H new ATOM 737 N TRP A 71 -5.845 5.948 -9.886 1.00 0.00 N ATOM 738 CA TRP A 71 -7.030 6.681 -9.445 1.00 0.00 C ATOM 739 C TRP A 71 -6.645 8.056 -8.899 1.00 0.00 C ATOM 740 O TRP A 71 -5.591 8.222 -8.290 1.00 0.00 O ATOM 741 CB TRP A 71 -7.816 5.876 -8.399 1.00 0.00 C ATOM 742 CG TRP A 71 -7.005 5.443 -7.214 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.741 6.173 -6.093 1.00 0.00 C ATOM 744 CD2 TRP A 71 -6.362 4.174 -7.027 1.00 0.00 C ATOM 745 NE1 TRP A 71 -5.972 5.442 -5.224 1.00 0.00 N ATOM 746 CE2 TRP A 71 -5.725 4.212 -5.773 1.00 0.00 C ATOM 747 CE3 TRP A 71 -6.260 3.013 -7.799 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -5.002 3.134 -5.273 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -5.540 1.943 -7.301 1.00 0.00 C ATOM 750 CH2 TRP A 71 -4.919 2.009 -6.049 1.00 0.00 C ATOM 0 H TRP A 71 -5.546 5.206 -9.253 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.677 6.829 -10.310 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -8.655 6.478 -8.050 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -8.236 4.992 -8.879 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -7.087 7.180 -5.915 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -5.638 5.763 -4.315 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -6.735 2.953 -8.767 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -4.523 3.183 -4.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.455 1.041 -7.888 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -4.364 1.156 -5.688 1.00 0.00 H new ATOM 761 N GLU A 72 -7.522 9.031 -9.097 1.00 0.00 N ATOM 762 CA GLU A 72 -7.185 10.432 -8.847 1.00 0.00 C ATOM 763 C GLU A 72 -7.216 10.794 -7.362 1.00 0.00 C ATOM 764 O GLU A 72 -7.263 11.976 -7.010 1.00 0.00 O ATOM 765 CB GLU A 72 -8.137 11.366 -9.609 1.00 0.00 C ATOM 766 CG GLU A 72 -8.271 11.066 -11.096 1.00 0.00 C ATOM 767 CD GLU A 72 -9.279 9.972 -11.383 1.00 0.00 C ATOM 768 OE1 GLU A 72 -10.492 10.267 -11.398 1.00 0.00 O ATOM 769 OE2 GLU A 72 -8.873 8.810 -11.568 1.00 0.00 O ATOM 0 H GLU A 72 -8.474 8.880 -9.430 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.164 10.565 -9.204 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.124 11.308 -9.151 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.790 12.392 -9.490 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.568 11.974 -11.620 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.299 10.772 -11.492 1.00 0.00 H new ATOM 776 N ASP A 73 -7.175 9.805 -6.481 1.00 0.00 N ATOM 777 CA ASP A 73 -7.180 10.097 -5.053 1.00 0.00 C ATOM 778 C ASP A 73 -6.042 9.379 -4.329 1.00 0.00 C ATOM 779 O ASP A 73 -6.240 8.319 -3.736 1.00 0.00 O ATOM 780 CB ASP A 73 -8.515 9.726 -4.407 1.00 0.00 C ATOM 781 CG ASP A 73 -8.739 10.481 -3.106 1.00 0.00 C ATOM 782 OD1 ASP A 73 -7.907 10.354 -2.182 1.00 0.00 O ATOM 783 OD2 ASP A 73 -9.727 11.243 -3.025 1.00 0.00 O ATOM 0 H ASP A 73 -7.139 8.814 -6.721 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.033 11.173 -4.955 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.328 9.945 -5.099 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.541 8.653 -4.214 1.00 0.00 H new ATOM 788 N PRO A 74 -4.822 9.932 -4.392 1.00 0.00 N ATOM 789 CA PRO A 74 -3.704 9.487 -3.573 1.00 0.00 C ATOM 790 C PRO A 74 -3.725 10.183 -2.218 1.00 0.00 C ATOM 791 O PRO A 74 -2.953 9.861 -1.319 1.00 0.00 O ATOM 792 CB PRO A 74 -2.466 9.915 -4.380 1.00 0.00 C ATOM 793 CG PRO A 74 -2.984 10.642 -5.584 1.00 0.00 C ATOM 794 CD PRO A 74 -4.410 11.009 -5.287 1.00 0.00 C ATOM 0 HA PRO A 74 -3.727 8.416 -3.370 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.817 10.558 -3.786 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -1.874 9.048 -4.673 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.389 11.533 -5.784 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.923 10.013 -6.472 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.489 11.987 -4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.019 11.044 -6.190 1.00 0.00 H new ATOM 802 N SER A 75 -4.653 11.123 -2.088 1.00 0.00 N ATOM 803 CA SER A 75 -4.765 11.976 -0.917 1.00 0.00 C ATOM 804 C SER A 75 -5.173 11.200 0.333 1.00 0.00 C ATOM 805 O SER A 75 -4.987 11.669 1.454 1.00 0.00 O ATOM 806 CB SER A 75 -5.764 13.087 -1.215 1.00 0.00 C ATOM 807 OG SER A 75 -6.667 12.687 -2.239 1.00 0.00 O ATOM 0 H SER A 75 -5.356 11.315 -2.802 1.00 0.00 H new ATOM 0 HA SER A 75 -3.784 12.401 -0.705 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.319 13.337 -0.311 1.00 0.00 H new ATOM 0 HB3 SER A 75 -5.233 13.988 -1.522 1.00 0.00 H new ATOM 0 HG SER A 75 -7.030 11.802 -2.028 1.00 0.00 H new ATOM 813 N GLN A 76 -5.721 10.007 0.150 1.00 0.00 N ATOM 814 CA GLN A 76 -6.044 9.149 1.282 1.00 0.00 C ATOM 815 C GLN A 76 -4.778 8.535 1.876 1.00 0.00 C ATOM 816 O GLN A 76 -4.825 7.872 2.908 1.00 0.00 O ATOM 817 CB GLN A 76 -7.029 8.054 0.866 1.00 0.00 C ATOM 818 CG GLN A 76 -8.438 8.571 0.623 1.00 0.00 C ATOM 819 CD GLN A 76 -9.030 9.231 1.854 1.00 0.00 C ATOM 820 OE1 GLN A 76 -8.872 10.433 2.070 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.721 8.453 2.672 1.00 0.00 N ATOM 0 H GLN A 76 -5.950 9.613 -0.763 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.517 9.763 2.049 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -6.665 7.573 -0.042 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.059 7.289 1.642 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -8.423 9.287 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -9.078 7.744 0.314 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.831 7.461 2.461 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.143 8.845 3.513 1.00 0.00 H new ATOM 830 N ALA A 77 -3.645 8.777 1.224 1.00 0.00 N ATOM 831 CA ALA A 77 -2.369 8.245 1.678 1.00 0.00 C ATOM 832 C ALA A 77 -1.446 9.354 2.174 1.00 0.00 C ATOM 833 O ALA A 77 -0.279 9.108 2.489 1.00 0.00 O ATOM 834 CB ALA A 77 -1.706 7.464 0.554 1.00 0.00 C ATOM 0 H ALA A 77 -3.587 9.341 0.376 1.00 0.00 H new ATOM 0 HA ALA A 77 -2.559 7.576 2.517 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.751 7.068 0.900 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.353 6.640 0.253 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.538 8.123 -0.298 1.00 0.00 H new ATOM 840 N SER A 78 -1.977 10.573 2.255 1.00 0.00 N ATOM 841 CA SER A 78 -1.198 11.731 2.694 1.00 0.00 C ATOM 842 C SER A 78 -0.580 11.508 4.075 1.00 0.00 C ATOM 843 O SER A 78 0.560 11.909 4.319 1.00 0.00 O ATOM 844 CB SER A 78 -2.078 12.983 2.718 1.00 0.00 C ATOM 845 OG SER A 78 -2.643 13.233 1.444 1.00 0.00 O ATOM 0 H SER A 78 -2.947 10.785 2.022 1.00 0.00 H new ATOM 0 HA SER A 78 -0.386 11.869 1.980 1.00 0.00 H new ATOM 0 HB2 SER A 78 -2.873 12.859 3.454 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.485 13.842 3.031 1.00 0.00 H new ATOM 0 HG SER A 78 -3.506 12.775 1.373 1.00 0.00 H new ATOM 851 N LYS A 79 -1.327 10.856 4.963 1.00 0.00 N ATOM 852 CA LYS A 79 -0.859 10.604 6.323 1.00 0.00 C ATOM 853 C LYS A 79 0.350 9.670 6.319 1.00 0.00 C ATOM 854 O LYS A 79 1.269 9.828 7.125 1.00 0.00 O ATOM 855 CB LYS A 79 -1.985 10.011 7.176 1.00 0.00 C ATOM 856 CG LYS A 79 -1.611 9.825 8.637 1.00 0.00 C ATOM 857 CD LYS A 79 -2.767 9.256 9.444 1.00 0.00 C ATOM 858 CE LYS A 79 -2.408 9.119 10.917 1.00 0.00 C ATOM 859 NZ LYS A 79 -2.037 10.427 11.521 1.00 0.00 N ATOM 0 H LYS A 79 -2.259 10.493 4.765 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.555 11.556 6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.857 10.661 7.113 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -2.276 9.047 6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.752 9.158 8.711 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.308 10.783 9.060 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -3.638 9.903 9.340 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -3.045 8.281 9.044 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.254 8.696 11.459 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -1.578 8.421 11.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -2.064 10.351 12.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.078 10.690 11.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.710 11.156 11.210 1.00 0.00 H new ATOM 872 N VAL A 80 0.353 8.714 5.397 1.00 0.00 N ATOM 873 CA VAL A 80 1.469 7.790 5.267 1.00 0.00 C ATOM 874 C VAL A 80 2.722 8.550 4.857 1.00 0.00 C ATOM 875 O VAL A 80 3.768 8.425 5.493 1.00 0.00 O ATOM 876 CB VAL A 80 1.174 6.672 4.237 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.396 5.781 4.038 1.00 0.00 C ATOM 878 CG2 VAL A 80 -0.027 5.840 4.678 1.00 0.00 C ATOM 0 H VAL A 80 -0.404 8.560 4.731 1.00 0.00 H new ATOM 0 HA VAL A 80 1.623 7.317 6.237 1.00 0.00 H new ATOM 0 HB VAL A 80 0.937 7.144 3.283 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.165 5.003 3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.229 6.382 3.674 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.669 5.320 4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.219 5.060 3.942 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.182 5.383 5.645 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.903 6.483 4.763 1.00 0.00 H new ATOM 888 N CYS A 81 2.599 9.367 3.814 1.00 0.00 N ATOM 889 CA CYS A 81 3.711 10.191 3.359 1.00 0.00 C ATOM 890 C CYS A 81 4.165 11.133 4.471 1.00 0.00 C ATOM 891 O CYS A 81 5.358 11.341 4.668 1.00 0.00 O ATOM 892 CB CYS A 81 3.317 11.001 2.117 1.00 0.00 C ATOM 893 SG CYS A 81 2.681 9.998 0.734 1.00 0.00 S ATOM 0 H CYS A 81 1.742 9.475 3.271 1.00 0.00 H new ATOM 0 HA CYS A 81 4.536 9.529 3.095 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.558 11.731 2.400 1.00 0.00 H new ATOM 0 HB3 CYS A 81 4.186 11.562 1.773 1.00 0.00 H new ATOM 898 N GLN A 82 3.203 11.674 5.212 1.00 0.00 N ATOM 899 CA GLN A 82 3.496 12.623 6.281 1.00 0.00 C ATOM 900 C GLN A 82 4.332 11.979 7.382 1.00 0.00 C ATOM 901 O GLN A 82 5.325 12.554 7.833 1.00 0.00 O ATOM 902 CB GLN A 82 2.197 13.183 6.871 1.00 0.00 C ATOM 903 CG GLN A 82 2.419 14.209 7.969 1.00 0.00 C ATOM 904 CD GLN A 82 3.202 15.421 7.494 1.00 0.00 C ATOM 905 OE1 GLN A 82 3.017 15.794 6.238 1.00 0.00 O flip ATOM 906 NE2 GLN A 82 3.960 16.022 8.256 1.00 0.00 N flip ATOM 0 H GLN A 82 2.211 11.471 5.091 1.00 0.00 H new ATOM 0 HA GLN A 82 4.074 13.440 5.849 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.612 13.639 6.072 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.604 12.360 7.269 1.00 0.00 H new ATOM 0 HG2 GLN A 82 1.453 14.535 8.356 1.00 0.00 H new ATOM 0 HG3 GLN A 82 2.952 13.740 8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 82 4.075 15.702 9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 82 4.473 16.839 7.925 1.00 0.00 H new ATOM 915 N ARG A 83 3.948 10.781 7.807 1.00 0.00 N ATOM 916 CA ARG A 83 4.655 10.116 8.894 1.00 0.00 C ATOM 917 C ARG A 83 5.982 9.534 8.422 1.00 0.00 C ATOM 918 O ARG A 83 6.836 9.186 9.234 1.00 0.00 O ATOM 919 CB ARG A 83 3.797 9.029 9.545 1.00 0.00 C ATOM 920 CG ARG A 83 2.558 9.556 10.261 1.00 0.00 C ATOM 921 CD ARG A 83 2.836 10.837 11.047 1.00 0.00 C ATOM 922 NE ARG A 83 4.109 10.801 11.774 1.00 0.00 N ATOM 923 CZ ARG A 83 4.806 11.895 12.082 1.00 0.00 C ATOM 924 NH1 ARG A 83 4.297 13.095 11.831 1.00 0.00 N ATOM 925 NH2 ARG A 83 5.995 11.796 12.661 1.00 0.00 N ATOM 0 H ARG A 83 3.162 10.257 7.422 1.00 0.00 H new ATOM 0 HA ARG A 83 4.864 10.876 9.647 1.00 0.00 H new ATOM 0 HB2 ARG A 83 3.486 8.320 8.778 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.409 8.478 10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 83 1.773 9.746 9.529 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.182 8.791 10.941 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.840 11.684 10.361 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.025 11.005 11.755 1.00 0.00 H new ATOM 0 HE ARG A 83 4.480 9.894 12.058 1.00 0.00 H new ATOM 0 HH11 ARG A 83 3.375 13.179 11.403 1.00 0.00 H new ATOM 0 HH12 ARG A 83 4.828 13.934 12.066 1.00 0.00 H new ATOM 0 HH21 ARG A 83 6.383 10.877 12.874 1.00 0.00 H new ATOM 0 HH22 ARG A 83 6.521 12.639 12.893 1.00 0.00 H new ATOM 938 N LEU A 84 6.148 9.432 7.111 1.00 0.00 N ATOM 939 CA LEU A 84 7.431 9.048 6.536 1.00 0.00 C ATOM 940 C LEU A 84 8.279 10.288 6.277 1.00 0.00 C ATOM 941 O LEU A 84 9.360 10.209 5.690 1.00 0.00 O ATOM 942 CB LEU A 84 7.229 8.261 5.240 1.00 0.00 C ATOM 943 CG LEU A 84 6.535 6.908 5.405 1.00 0.00 C ATOM 944 CD1 LEU A 84 6.271 6.280 4.050 1.00 0.00 C ATOM 945 CD2 LEU A 84 7.377 5.974 6.263 1.00 0.00 C ATOM 0 H LEU A 84 5.413 9.609 6.426 1.00 0.00 H new ATOM 0 HA LEU A 84 7.952 8.406 7.247 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.645 8.870 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.202 8.099 4.776 1.00 0.00 H new ATOM 0 HG LEU A 84 5.581 7.072 5.906 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.777 5.318 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 84 5.630 6.938 3.463 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.216 6.132 3.527 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.866 5.017 6.368 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.346 5.818 5.788 1.00 0.00 H new ATOM 0 HD23 LEU A 84 7.523 6.418 7.248 1.00 0.00 H new ATOM 957 N ASN A 85 7.765 11.434 6.732 1.00 0.00 N ATOM 958 CA ASN A 85 8.441 12.723 6.596 1.00 0.00 C ATOM 959 C ASN A 85 8.643 13.082 5.127 1.00 0.00 C ATOM 960 O ASN A 85 9.684 13.615 4.732 1.00 0.00 O ATOM 961 CB ASN A 85 9.774 12.722 7.350 1.00 0.00 C ATOM 962 CG ASN A 85 9.606 12.553 8.851 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.623 13.011 9.438 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.560 11.885 9.481 1.00 0.00 N ATOM 0 H ASN A 85 6.864 11.492 7.207 1.00 0.00 H new ATOM 0 HA ASN A 85 7.803 13.487 7.041 1.00 0.00 H new ATOM 0 HB2 ASN A 85 10.401 11.917 6.967 1.00 0.00 H new ATOM 0 HB3 ASN A 85 10.298 13.657 7.151 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.497 11.734 10.488 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.358 11.522 8.960 1.00 0.00 H new ATOM 971 N CYS A 86 7.646 12.763 4.323 1.00 0.00 N ATOM 972 CA CYS A 86 7.623 13.158 2.928 1.00 0.00 C ATOM 973 C CYS A 86 6.517 14.193 2.733 1.00 0.00 C ATOM 974 O CYS A 86 5.757 14.469 3.664 1.00 0.00 O ATOM 975 CB CYS A 86 7.387 11.941 2.016 1.00 0.00 C ATOM 976 SG CYS A 86 8.490 10.518 2.340 1.00 0.00 S ATOM 0 H CYS A 86 6.832 12.224 4.618 1.00 0.00 H new ATOM 0 HA CYS A 86 8.587 13.589 2.658 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.353 11.615 2.128 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.512 12.252 0.979 1.00 0.00 H new ATOM 981 N GLY A 87 6.419 14.759 1.546 1.00 0.00 N ATOM 982 CA GLY A 87 5.419 15.776 1.288 1.00 0.00 C ATOM 983 C GLY A 87 4.082 15.200 0.859 1.00 0.00 C ATOM 984 O GLY A 87 3.521 14.325 1.527 1.00 0.00 O ATOM 0 H GLY A 87 7.015 14.534 0.750 1.00 0.00 H new ATOM 0 HA2 GLY A 87 5.278 16.375 2.188 1.00 0.00 H new ATOM 0 HA3 GLY A 87 5.785 16.448 0.511 1.00 0.00 H new ATOM 988 N ASP A 88 3.572 15.701 -0.257 1.00 0.00 N ATOM 989 CA ASP A 88 2.272 15.291 -0.783 1.00 0.00 C ATOM 990 C ASP A 88 2.370 13.969 -1.530 1.00 0.00 C ATOM 991 O ASP A 88 3.422 13.633 -2.071 1.00 0.00 O ATOM 992 CB ASP A 88 1.723 16.362 -1.731 1.00 0.00 C ATOM 993 CG ASP A 88 1.189 17.579 -1.006 1.00 0.00 C ATOM 994 OD1 ASP A 88 1.971 18.250 -0.300 1.00 0.00 O ATOM 995 OD2 ASP A 88 -0.018 17.877 -1.148 1.00 0.00 O ATOM 0 H ASP A 88 4.045 16.403 -0.825 1.00 0.00 H new ATOM 0 HA ASP A 88 1.598 15.166 0.065 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.512 16.672 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.927 15.929 -2.337 1.00 0.00 H new ATOM 1000 N PRO A 89 1.274 13.198 -1.560 1.00 0.00 N ATOM 1001 CA PRO A 89 1.196 11.974 -2.343 1.00 0.00 C ATOM 1002 C PRO A 89 0.911 12.278 -3.814 1.00 0.00 C ATOM 1003 O PRO A 89 -0.221 12.571 -4.199 1.00 0.00 O ATOM 1004 CB PRO A 89 0.042 11.208 -1.696 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.834 12.247 -1.086 1.00 0.00 C ATOM 1006 CD PRO A 89 0.025 13.463 -0.824 1.00 0.00 C ATOM 0 HA PRO A 89 2.128 11.408 -2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -0.502 10.621 -2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 89 0.408 10.511 -0.942 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.658 12.496 -1.755 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -1.275 11.881 -0.159 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.458 14.374 -1.177 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.213 13.594 0.242 1.00 0.00 H new ATOM 1014 N LEU A 90 1.954 12.203 -4.622 1.00 0.00 N ATOM 1015 CA LEU A 90 1.889 12.578 -6.028 1.00 0.00 C ATOM 1016 C LEU A 90 1.154 11.522 -6.848 1.00 0.00 C ATOM 1017 O LEU A 90 0.444 11.841 -7.801 1.00 0.00 O ATOM 1018 CB LEU A 90 3.310 12.765 -6.575 1.00 0.00 C ATOM 1019 CG LEU A 90 3.592 14.112 -7.247 1.00 0.00 C ATOM 1020 CD1 LEU A 90 5.074 14.258 -7.560 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.772 14.265 -8.519 1.00 0.00 C ATOM 0 H LEU A 90 2.874 11.880 -4.323 1.00 0.00 H new ATOM 0 HA LEU A 90 1.336 13.514 -6.109 1.00 0.00 H new ATOM 0 HB2 LEU A 90 4.015 12.635 -5.754 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.509 11.972 -7.296 1.00 0.00 H new ATOM 0 HG LEU A 90 3.303 14.900 -6.551 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.252 15.222 -8.037 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.649 14.199 -6.636 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.384 13.458 -8.232 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.989 15.229 -8.978 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.027 13.466 -9.215 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.711 14.210 -8.277 1.00 0.00 H new ATOM 1033 N SER A 91 1.333 10.261 -6.482 1.00 0.00 N ATOM 1034 CA SER A 91 0.737 9.164 -7.230 1.00 0.00 C ATOM 1035 C SER A 91 0.498 7.958 -6.329 1.00 0.00 C ATOM 1036 O SER A 91 1.210 7.754 -5.347 1.00 0.00 O ATOM 1037 CB SER A 91 1.639 8.775 -8.405 1.00 0.00 C ATOM 1038 OG SER A 91 1.878 9.892 -9.245 1.00 0.00 O ATOM 0 H SER A 91 1.885 9.973 -5.674 1.00 0.00 H new ATOM 0 HA SER A 91 -0.226 9.497 -7.617 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.586 8.387 -8.030 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.172 7.975 -8.979 1.00 0.00 H new ATOM 0 HG SER A 91 2.457 9.624 -9.989 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.510 7.168 -6.678 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.876 5.986 -5.908 1.00 0.00 C ATOM 1046 C LEU A 92 -1.596 4.984 -6.807 1.00 0.00 C ATOM 1047 O LEU A 92 -2.509 5.352 -7.543 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.790 6.384 -4.744 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.284 5.235 -3.858 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -1.136 4.629 -3.067 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.374 5.716 -2.912 1.00 0.00 C ATOM 0 H LEU A 92 -1.094 7.328 -7.499 1.00 0.00 H new ATOM 0 HA LEU A 92 0.029 5.527 -5.512 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.257 7.098 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.658 6.903 -5.150 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.700 4.466 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.511 3.816 -2.446 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.384 4.243 -3.755 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.688 5.393 -2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.711 4.885 -2.292 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -2.979 6.507 -2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.214 6.101 -3.490 1.00 0.00 H new ATOM 1063 N GLY A 93 -1.187 3.730 -6.757 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.826 2.723 -7.585 1.00 0.00 C ATOM 1065 C GLY A 93 -0.934 1.525 -7.831 1.00 0.00 C ATOM 1066 O GLY A 93 -0.038 1.256 -7.035 1.00 0.00 O ATOM 0 H GLY A 93 -0.430 3.388 -6.164 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.747 2.394 -7.105 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.105 3.167 -8.541 1.00 0.00 H new ATOM 1070 N PRO A 94 -1.159 0.775 -8.920 1.00 0.00 N ATOM 1071 CA PRO A 94 -0.336 -0.388 -9.262 1.00 0.00 C ATOM 1072 C PRO A 94 1.088 0.012 -9.646 1.00 0.00 C ATOM 1073 O PRO A 94 1.291 0.829 -10.544 1.00 0.00 O ATOM 1074 CB PRO A 94 -1.056 -1.016 -10.464 1.00 0.00 C ATOM 1075 CG PRO A 94 -2.407 -0.383 -10.491 1.00 0.00 C ATOM 1076 CD PRO A 94 -2.235 0.985 -9.901 1.00 0.00 C ATOM 0 HA PRO A 94 -0.232 -1.070 -8.418 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -0.514 -0.825 -11.390 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -1.131 -2.098 -10.356 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -2.789 -0.323 -11.510 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -3.124 -0.969 -9.915 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.958 1.721 -10.656 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -3.151 1.342 -9.429 1.00 0.00 H new ATOM 1084 N PHE A 95 2.067 -0.562 -8.962 1.00 0.00 N ATOM 1085 CA PHE A 95 3.461 -0.229 -9.201 1.00 0.00 C ATOM 1086 C PHE A 95 4.312 -1.492 -9.190 1.00 0.00 C ATOM 1087 O PHE A 95 4.337 -2.212 -8.195 1.00 0.00 O ATOM 1088 CB PHE A 95 3.954 0.739 -8.123 1.00 0.00 C ATOM 1089 CG PHE A 95 5.298 1.355 -8.407 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.438 2.310 -9.401 1.00 0.00 C ATOM 1091 CD2 PHE A 95 6.416 0.987 -7.673 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.668 2.884 -9.660 1.00 0.00 C ATOM 1093 CE2 PHE A 95 7.648 1.558 -7.929 1.00 0.00 C ATOM 1094 CZ PHE A 95 7.774 2.508 -8.922 1.00 0.00 C ATOM 0 H PHE A 95 1.920 -1.262 -8.235 1.00 0.00 H new ATOM 0 HA PHE A 95 3.549 0.246 -10.178 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.220 1.536 -8.005 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.005 0.209 -7.172 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.577 2.609 -9.980 1.00 0.00 H new ATOM 0 HD2 PHE A 95 6.323 0.246 -6.893 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.765 3.626 -10.439 1.00 0.00 H new ATOM 0 HE2 PHE A 95 8.512 1.261 -7.352 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.736 2.957 -9.122 1.00 0.00 H new ATOM 1104 N LEU A 96 4.985 -1.750 -10.311 1.00 0.00 N ATOM 1105 CA LEU A 96 5.881 -2.903 -10.462 1.00 0.00 C ATOM 1106 C LEU A 96 5.116 -4.226 -10.501 1.00 0.00 C ATOM 1107 O LEU A 96 4.410 -4.600 -9.559 1.00 0.00 O ATOM 1108 CB LEU A 96 6.941 -2.943 -9.351 1.00 0.00 C ATOM 1109 CG LEU A 96 7.924 -1.764 -9.323 1.00 0.00 C ATOM 1110 CD1 LEU A 96 8.932 -1.940 -8.197 1.00 0.00 C ATOM 1111 CD2 LEU A 96 8.644 -1.618 -10.661 1.00 0.00 C ATOM 0 H LEU A 96 4.926 -1.165 -11.144 1.00 0.00 H new ATOM 0 HA LEU A 96 6.385 -2.776 -11.420 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.430 -2.989 -8.389 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.512 -3.866 -9.453 1.00 0.00 H new ATOM 0 HG LEU A 96 7.353 -0.853 -9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.622 -1.096 -8.191 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.407 -1.987 -7.243 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.490 -2.864 -8.350 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.334 -0.775 -10.613 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.200 -2.530 -10.876 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.913 -1.444 -11.450 1.00 0.00 H new ATOM 1123 N LYS A 97 5.273 -4.946 -11.600 1.00 0.00 N ATOM 1124 CA LYS A 97 4.647 -6.250 -11.759 1.00 0.00 C ATOM 1125 C LYS A 97 5.556 -7.332 -11.191 1.00 0.00 C ATOM 1126 O LYS A 97 5.957 -8.254 -11.894 1.00 0.00 O ATOM 1127 CB LYS A 97 4.363 -6.523 -13.236 1.00 0.00 C ATOM 1128 CG LYS A 97 3.524 -5.448 -13.907 1.00 0.00 C ATOM 1129 CD LYS A 97 3.483 -5.639 -15.413 1.00 0.00 C ATOM 1130 CE LYS A 97 2.704 -4.526 -16.095 1.00 0.00 C ATOM 1131 NZ LYS A 97 2.832 -4.591 -17.575 1.00 0.00 N ATOM 0 H LYS A 97 5.832 -4.648 -12.400 1.00 0.00 H new ATOM 0 HA LYS A 97 3.702 -6.258 -11.215 1.00 0.00 H new ATOM 0 HB2 LYS A 97 5.310 -6.616 -13.767 1.00 0.00 H new ATOM 0 HB3 LYS A 97 3.851 -7.481 -13.327 1.00 0.00 H new ATOM 0 HG2 LYS A 97 2.510 -5.473 -13.508 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.934 -4.465 -13.674 1.00 0.00 H new ATOM 0 HD2 LYS A 97 4.500 -5.666 -15.805 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.026 -6.600 -15.647 1.00 0.00 H new ATOM 0 HE2 LYS A 97 1.652 -4.595 -15.817 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.064 -3.560 -15.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.287 -3.816 -18.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 3.833 -4.500 -17.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.465 -5.503 -17.915 1.00 0.00 H new ATOM 1144 N THR A 98 5.885 -7.199 -9.916 1.00 0.00 N ATOM 1145 CA THR A 98 6.798 -8.121 -9.258 1.00 0.00 C ATOM 1146 C THR A 98 6.158 -9.499 -9.084 1.00 0.00 C ATOM 1147 O THR A 98 6.836 -10.524 -9.160 1.00 0.00 O ATOM 1148 CB THR A 98 7.223 -7.561 -7.889 1.00 0.00 C ATOM 1149 OG1 THR A 98 7.327 -6.134 -7.972 1.00 0.00 O ATOM 1150 CG2 THR A 98 8.561 -8.138 -7.453 1.00 0.00 C ATOM 0 H THR A 98 5.531 -6.457 -9.313 1.00 0.00 H new ATOM 0 HA THR A 98 7.680 -8.232 -9.889 1.00 0.00 H new ATOM 0 HB THR A 98 6.470 -7.842 -7.153 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.596 -5.774 -7.101 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.837 -7.725 -6.483 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.482 -9.222 -7.377 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.325 -7.881 -8.187 1.00 0.00 H new ATOM 1158 N TYR A 99 4.842 -9.497 -8.848 1.00 0.00 N ATOM 1159 CA TYR A 99 4.028 -10.723 -8.730 1.00 0.00 C ATOM 1160 C TYR A 99 4.321 -11.517 -7.455 1.00 0.00 C ATOM 1161 O TYR A 99 3.557 -12.415 -7.117 1.00 0.00 O ATOM 1162 CB TYR A 99 4.209 -11.644 -9.948 1.00 0.00 C ATOM 1163 CG TYR A 99 3.756 -11.051 -11.269 1.00 0.00 C ATOM 1164 CD1 TYR A 99 2.478 -10.525 -11.425 1.00 0.00 C ATOM 1165 CD2 TYR A 99 4.609 -11.028 -12.367 1.00 0.00 C ATOM 1166 CE1 TYR A 99 2.067 -9.992 -12.631 1.00 0.00 C ATOM 1167 CE2 TYR A 99 4.202 -10.497 -13.577 1.00 0.00 C ATOM 1168 CZ TYR A 99 2.932 -9.982 -13.703 1.00 0.00 C ATOM 1169 OH TYR A 99 2.523 -9.456 -14.907 1.00 0.00 O ATOM 0 H TYR A 99 4.302 -8.640 -8.732 1.00 0.00 H new ATOM 0 HA TYR A 99 2.995 -10.378 -8.683 1.00 0.00 H new ATOM 0 HB2 TYR A 99 5.262 -11.913 -10.029 1.00 0.00 H new ATOM 0 HB3 TYR A 99 3.657 -12.567 -9.772 1.00 0.00 H new ATOM 0 HD1 TYR A 99 1.795 -10.533 -10.588 1.00 0.00 H new ATOM 0 HD2 TYR A 99 5.606 -11.432 -12.273 1.00 0.00 H new ATOM 0 HE1 TYR A 99 1.072 -9.585 -12.733 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.878 -10.486 -14.419 1.00 0.00 H new ATOM 0 HH TYR A 99 3.252 -9.525 -15.558 1.00 0.00 H new ATOM 1179 N THR A 100 5.411 -11.176 -6.763 1.00 0.00 N ATOM 1180 CA THR A 100 5.885 -11.917 -5.589 1.00 0.00 C ATOM 1181 C THR A 100 4.795 -12.135 -4.532 1.00 0.00 C ATOM 1182 O THR A 100 4.505 -11.244 -3.735 1.00 0.00 O ATOM 1183 CB THR A 100 7.067 -11.173 -4.938 1.00 0.00 C ATOM 1184 OG1 THR A 100 8.101 -10.972 -5.908 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.619 -11.949 -3.751 1.00 0.00 C ATOM 0 H THR A 100 5.994 -10.374 -7.002 1.00 0.00 H new ATOM 0 HA THR A 100 6.194 -12.898 -5.950 1.00 0.00 H new ATOM 0 HB THR A 100 6.708 -10.209 -4.576 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.851 -10.497 -5.493 1.00 0.00 H new ATOM 0 HG21 THR A 100 8.452 -11.399 -3.312 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.836 -12.077 -3.004 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.966 -12.927 -4.085 1.00 0.00 H new ATOM 1193 N PRO A 101 4.218 -13.349 -4.481 1.00 0.00 N ATOM 1194 CA PRO A 101 3.131 -13.676 -3.575 1.00 0.00 C ATOM 1195 C PRO A 101 3.622 -14.291 -2.266 1.00 0.00 C ATOM 1196 O PRO A 101 2.883 -14.991 -1.574 1.00 0.00 O ATOM 1197 CB PRO A 101 2.320 -14.690 -4.383 1.00 0.00 C ATOM 1198 CG PRO A 101 3.276 -15.297 -5.370 1.00 0.00 C ATOM 1199 CD PRO A 101 4.563 -14.505 -5.315 1.00 0.00 C ATOM 0 HA PRO A 101 2.566 -12.796 -3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 101 1.893 -15.454 -3.733 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.488 -14.205 -4.894 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.461 -16.344 -5.128 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.855 -15.272 -6.375 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.374 -15.087 -4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 101 4.889 -14.200 -6.309 1.00 0.00 H new ATOM 1207 N GLN A 102 4.879 -14.039 -1.934 1.00 0.00 N ATOM 1208 CA GLN A 102 5.434 -14.502 -0.667 1.00 0.00 C ATOM 1209 C GLN A 102 5.555 -13.346 0.312 1.00 0.00 C ATOM 1210 O GLN A 102 5.809 -13.550 1.498 1.00 0.00 O ATOM 1211 CB GLN A 102 6.801 -15.180 -0.855 1.00 0.00 C ATOM 1212 CG GLN A 102 6.722 -16.537 -1.541 1.00 0.00 C ATOM 1213 CD GLN A 102 6.627 -16.444 -3.050 1.00 0.00 C ATOM 1214 OE1 GLN A 102 5.948 -17.246 -3.687 1.00 0.00 O ATOM 1215 NE2 GLN A 102 7.344 -15.496 -3.636 1.00 0.00 N ATOM 0 H GLN A 102 5.533 -13.519 -2.519 1.00 0.00 H new ATOM 0 HA GLN A 102 4.747 -15.246 -0.262 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.445 -14.524 -1.441 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.273 -15.302 0.120 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.603 -17.122 -1.275 1.00 0.00 H new ATOM 0 HG3 GLN A 102 5.854 -17.077 -1.162 1.00 0.00 H new ATOM 0 HE21 GLN A 102 7.894 -14.850 -3.070 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.345 -15.413 -4.653 1.00 0.00 H new ATOM 1224 N SER A 103 5.360 -12.139 -0.190 1.00 0.00 N ATOM 1225 CA SER A 103 5.471 -10.949 0.637 1.00 0.00 C ATOM 1226 C SER A 103 4.209 -10.100 0.533 1.00 0.00 C ATOM 1227 O SER A 103 3.950 -9.249 1.383 1.00 0.00 O ATOM 1228 CB SER A 103 6.690 -10.131 0.200 1.00 0.00 C ATOM 1229 OG SER A 103 7.858 -10.939 0.141 1.00 0.00 O ATOM 0 H SER A 103 5.124 -11.957 -1.165 1.00 0.00 H new ATOM 0 HA SER A 103 5.593 -11.255 1.676 1.00 0.00 H new ATOM 0 HB2 SER A 103 6.502 -9.687 -0.778 1.00 0.00 H new ATOM 0 HB3 SER A 103 6.848 -9.309 0.898 1.00 0.00 H new ATOM 0 HG SER A 103 8.620 -10.392 -0.142 1.00 0.00 H new ATOM 1235 N SER A 104 3.417 -10.345 -0.501 1.00 0.00 N ATOM 1236 CA SER A 104 2.270 -9.503 -0.789 1.00 0.00 C ATOM 1237 C SER A 104 0.986 -10.034 -0.146 1.00 0.00 C ATOM 1238 O SER A 104 0.786 -11.246 -0.015 1.00 0.00 O ATOM 1239 CB SER A 104 2.087 -9.393 -2.302 1.00 0.00 C ATOM 1240 OG SER A 104 1.877 -10.673 -2.877 1.00 0.00 O ATOM 0 H SER A 104 3.549 -11.119 -1.152 1.00 0.00 H new ATOM 0 HA SER A 104 2.464 -8.519 -0.361 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.239 -8.746 -2.524 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.967 -8.929 -2.747 1.00 0.00 H new ATOM 0 HG SER A 104 2.700 -10.973 -3.316 1.00 0.00 H new ATOM 1246 N ILE A 105 0.125 -9.111 0.255 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.202 -9.439 0.738 1.00 0.00 C ATOM 1248 C ILE A 105 -2.241 -8.703 -0.095 1.00 0.00 C ATOM 1249 O ILE A 105 -2.009 -7.575 -0.540 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.405 -9.075 2.231 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.083 -7.595 2.473 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -0.565 -9.979 3.125 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.348 -7.128 3.888 1.00 0.00 C ATOM 0 H ILE A 105 0.330 -8.112 0.253 1.00 0.00 H new ATOM 0 HA ILE A 105 -1.318 -10.519 0.644 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.452 -9.236 2.488 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.034 -7.419 2.234 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.673 -6.989 1.785 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -0.722 -9.706 4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.860 -11.017 2.973 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.489 -9.861 2.874 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.095 -6.071 3.976 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.402 -7.270 4.126 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -0.738 -7.706 4.582 1.00 0.00 H new ATOM 1265 N ILE A 106 -3.370 -9.342 -0.325 1.00 0.00 N ATOM 1266 CA ILE A 106 -4.457 -8.704 -1.035 1.00 0.00 C ATOM 1267 C ILE A 106 -5.622 -8.511 -0.074 1.00 0.00 C ATOM 1268 O ILE A 106 -6.065 -9.452 0.593 1.00 0.00 O ATOM 1269 CB ILE A 106 -4.885 -9.499 -2.301 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -5.854 -8.669 -3.148 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -5.506 -10.842 -1.933 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -6.256 -9.336 -4.447 1.00 0.00 C ATOM 0 H ILE A 106 -3.557 -10.301 -0.031 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.117 -7.734 -1.397 1.00 0.00 H new ATOM 0 HB ILE A 106 -3.990 -9.701 -2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -6.751 -8.465 -2.563 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -5.394 -7.707 -3.372 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -5.794 -11.371 -2.842 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.781 -11.439 -1.380 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -6.388 -10.678 -1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -6.943 -8.688 -4.991 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.368 -9.515 -5.054 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.746 -10.285 -4.232 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.083 -7.283 0.048 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.094 -6.970 1.038 1.00 0.00 C ATOM 1286 C CYS A 107 -8.423 -6.655 0.373 1.00 0.00 C ATOM 1287 O CYS A 107 -8.469 -6.201 -0.772 1.00 0.00 O ATOM 1288 CB CYS A 107 -6.640 -5.801 1.917 1.00 0.00 C ATOM 1289 SG CYS A 107 -7.361 -5.822 3.587 1.00 0.00 S ATOM 0 H CYS A 107 -5.778 -6.492 -0.519 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.232 -7.845 1.672 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -5.553 -5.820 1.999 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -6.906 -4.864 1.427 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.505 -6.917 1.084 1.00 0.00 N ATOM 1295 CA TYR A 108 -10.835 -6.675 0.560 1.00 0.00 C ATOM 1296 C TYR A 108 -11.594 -5.741 1.486 1.00 0.00 C ATOM 1297 O TYR A 108 -11.146 -5.463 2.600 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.588 -7.998 0.377 1.00 0.00 C ATOM 1299 CG TYR A 108 -10.924 -8.925 -0.615 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -10.982 -8.666 -1.981 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.224 -10.048 -0.190 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -10.366 -9.499 -2.891 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -9.602 -10.883 -1.095 1.00 0.00 C ATOM 1304 CZ TYR A 108 -9.676 -10.606 -2.446 1.00 0.00 C ATOM 1305 OH TYR A 108 -9.056 -11.431 -3.353 1.00 0.00 O ATOM 0 H TYR A 108 -9.487 -7.299 2.030 1.00 0.00 H new ATOM 0 HA TYR A 108 -10.751 -6.199 -0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -11.665 -8.502 1.341 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -12.605 -7.788 0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -11.519 -7.798 -2.334 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -10.166 -10.270 0.865 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -10.424 -9.285 -3.948 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.059 -11.750 -0.748 1.00 0.00 H new ATOM 0 HH TYR A 108 -8.613 -12.165 -2.878 1.00 0.00 H new ATOM 1315 N GLY A 109 -12.724 -5.241 1.021 1.00 0.00 N ATOM 1316 CA GLY A 109 -13.506 -4.324 1.817 1.00 0.00 C ATOM 1317 C GLY A 109 -13.623 -2.967 1.160 1.00 0.00 C ATOM 1318 O GLY A 109 -14.026 -2.868 -0.001 1.00 0.00 O ATOM 0 H GLY A 109 -13.115 -5.454 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -14.502 -4.738 1.975 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -13.047 -4.214 2.800 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.249 -1.927 1.886 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.393 -0.565 1.399 1.00 0.00 C ATOM 1324 C GLN A 110 -12.064 0.173 1.456 1.00 0.00 C ATOM 1325 O GLN A 110 -11.232 -0.096 2.325 1.00 0.00 O ATOM 1326 CB GLN A 110 -14.456 0.168 2.216 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.845 -0.425 2.044 1.00 0.00 C ATOM 1328 CD GLN A 110 -16.903 0.329 2.815 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -17.195 0.013 3.967 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -17.489 1.328 2.184 1.00 0.00 N ATOM 0 H GLN A 110 -12.842 -2.000 2.818 1.00 0.00 H new ATOM 0 HA GLN A 110 -13.711 -0.597 0.357 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -14.181 0.138 3.270 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -14.475 1.217 1.921 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -16.106 -0.427 0.986 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.834 -1.464 2.372 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.217 1.557 1.228 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -18.214 1.871 2.652 1.00 0.00 H new ATOM 1339 N LEU A 111 -11.888 1.104 0.523 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.625 1.815 0.342 1.00 0.00 C ATOM 1341 C LEU A 111 -10.169 2.496 1.629 1.00 0.00 C ATOM 1342 O LEU A 111 -10.789 3.454 2.095 1.00 0.00 O ATOM 1343 CB LEU A 111 -10.765 2.858 -0.775 1.00 0.00 C ATOM 1344 CG LEU A 111 -9.526 3.732 -1.032 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -8.362 2.904 -1.558 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -9.858 4.854 -2.003 1.00 0.00 C ATOM 0 H LEU A 111 -12.618 1.388 -0.130 1.00 0.00 H new ATOM 0 HA LEU A 111 -9.869 1.080 0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.020 2.341 -1.700 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.604 3.511 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.224 4.168 -0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -7.502 3.552 -1.729 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.100 2.139 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -8.649 2.427 -2.495 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -8.970 5.462 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -10.194 4.429 -2.949 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -10.649 5.476 -1.584 1.00 0.00 H new ATOM 1358 N GLY A 112 -9.078 1.994 2.190 1.00 0.00 N ATOM 1359 CA GLY A 112 -8.523 2.575 3.394 1.00 0.00 C ATOM 1360 C GLY A 112 -8.656 1.666 4.595 1.00 0.00 C ATOM 1361 O GLY A 112 -8.040 1.907 5.634 1.00 0.00 O ATOM 0 H GLY A 112 -8.565 1.189 1.829 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -7.470 2.803 3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -9.025 3.520 3.601 1.00 0.00 H new ATOM 1365 N SER A 113 -9.456 0.618 4.464 1.00 0.00 N ATOM 1366 CA SER A 113 -9.673 -0.303 5.563 1.00 0.00 C ATOM 1367 C SER A 113 -8.986 -1.641 5.290 1.00 0.00 C ATOM 1368 O SER A 113 -9.250 -2.293 4.277 1.00 0.00 O ATOM 1369 CB SER A 113 -11.172 -0.511 5.790 1.00 0.00 C ATOM 1370 OG SER A 113 -11.419 -1.049 7.076 1.00 0.00 O ATOM 0 H SER A 113 -9.963 0.387 3.609 1.00 0.00 H new ATOM 0 HA SER A 113 -9.238 0.127 6.465 1.00 0.00 H new ATOM 0 HB2 SER A 113 -11.695 0.439 5.682 1.00 0.00 H new ATOM 0 HB3 SER A 113 -11.569 -1.182 5.028 1.00 0.00 H new ATOM 0 HG SER A 113 -12.383 -1.172 7.199 1.00 0.00 H new ATOM 1376 N PHE A 114 -8.109 -2.037 6.200 1.00 0.00 N ATOM 1377 CA PHE A 114 -7.353 -3.281 6.074 1.00 0.00 C ATOM 1378 C PHE A 114 -7.906 -4.334 7.032 1.00 0.00 C ATOM 1379 O PHE A 114 -7.150 -5.037 7.704 1.00 0.00 O ATOM 1380 CB PHE A 114 -5.866 -3.036 6.376 1.00 0.00 C ATOM 1381 CG PHE A 114 -5.145 -2.203 5.349 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -5.175 -0.818 5.412 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.420 -2.805 4.332 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -4.502 -0.052 4.481 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.743 -2.043 3.399 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.784 -0.665 3.474 1.00 0.00 C ATOM 0 H PHE A 114 -7.899 -1.508 7.047 1.00 0.00 H new ATOM 0 HA PHE A 114 -7.452 -3.642 5.050 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -5.782 -2.546 7.346 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -5.363 -3.999 6.461 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -5.732 -0.332 6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.384 -3.883 4.268 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.537 1.026 4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.182 -2.525 2.612 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.255 -0.068 2.746 1.00 0.00 H new ATOM 1396 N SER A 115 -9.226 -4.425 7.102 1.00 0.00 N ATOM 1397 CA SER A 115 -9.880 -5.360 8.010 1.00 0.00 C ATOM 1398 C SER A 115 -9.644 -6.813 7.601 1.00 0.00 C ATOM 1399 O SER A 115 -9.186 -7.624 8.409 1.00 0.00 O ATOM 1400 CB SER A 115 -11.383 -5.074 8.070 1.00 0.00 C ATOM 1401 OG SER A 115 -11.642 -3.772 8.572 1.00 0.00 O ATOM 0 H SER A 115 -9.867 -3.863 6.541 1.00 0.00 H new ATOM 0 HA SER A 115 -9.441 -5.217 8.997 1.00 0.00 H new ATOM 0 HB2 SER A 115 -11.814 -5.174 7.074 1.00 0.00 H new ATOM 0 HB3 SER A 115 -11.871 -5.814 8.704 1.00 0.00 H new ATOM 0 HG SER A 115 -11.483 -3.111 7.866 1.00 0.00 H new ATOM 1407 N ASN A 116 -9.954 -7.138 6.351 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.853 -8.509 5.865 1.00 0.00 C ATOM 1409 C ASN A 116 -8.811 -8.622 4.762 1.00 0.00 C ATOM 1410 O ASN A 116 -9.142 -8.619 3.573 1.00 0.00 O ATOM 1411 CB ASN A 116 -11.210 -8.996 5.348 1.00 0.00 C ATOM 1412 CG ASN A 116 -12.166 -9.393 6.458 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -12.060 -8.927 7.592 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -13.128 -10.239 6.128 1.00 0.00 N ATOM 0 H ASN A 116 -10.278 -6.468 5.654 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.543 -9.137 6.700 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.667 -8.209 4.748 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -11.055 -9.850 4.688 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -13.815 -10.527 6.825 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -13.182 -10.604 5.177 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.551 -8.704 5.158 1.00 0.00 N ATOM 1422 CA CYS A 117 -6.462 -8.860 4.206 1.00 0.00 C ATOM 1423 C CYS A 117 -5.966 -10.306 4.210 1.00 0.00 C ATOM 1424 O CYS A 117 -5.644 -10.860 5.263 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.303 -7.915 4.541 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.772 -6.167 4.810 1.00 0.00 S ATOM 0 H CYS A 117 -7.256 -8.665 6.134 1.00 0.00 H new ATOM 0 HA CYS A 117 -6.838 -8.609 3.214 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -4.804 -8.282 5.438 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -4.575 -7.958 3.731 1.00 0.00 H new ATOM 1431 N SER A 118 -5.911 -10.915 3.035 1.00 0.00 N ATOM 1432 CA SER A 118 -5.470 -12.296 2.903 1.00 0.00 C ATOM 1433 C SER A 118 -4.128 -12.364 2.183 1.00 0.00 C ATOM 1434 O SER A 118 -3.830 -11.525 1.329 1.00 0.00 O ATOM 1435 CB SER A 118 -6.531 -13.104 2.149 1.00 0.00 C ATOM 1436 OG SER A 118 -6.953 -12.431 0.970 1.00 0.00 O ATOM 0 H SER A 118 -6.168 -10.471 2.153 1.00 0.00 H new ATOM 0 HA SER A 118 -5.339 -12.724 3.897 1.00 0.00 H new ATOM 0 HB2 SER A 118 -6.128 -14.082 1.887 1.00 0.00 H new ATOM 0 HB3 SER A 118 -7.389 -13.276 2.799 1.00 0.00 H new ATOM 0 HG SER A 118 -7.629 -12.971 0.509 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.315 -13.350 2.547 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.012 -13.533 1.922 1.00 0.00 C ATOM 1444 C HIS A 119 -2.191 -13.983 0.478 1.00 0.00 C ATOM 1445 O HIS A 119 -2.842 -14.994 0.215 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.167 -14.550 2.701 1.00 0.00 C ATOM 1447 CG HIS A 119 0.261 -14.623 2.244 1.00 0.00 C ATOM 1448 ND1 HIS A 119 0.892 -15.803 1.909 1.00 0.00 N ATOM 1449 CD2 HIS A 119 1.187 -13.648 2.084 1.00 0.00 C ATOM 1450 CE1 HIS A 119 2.140 -15.550 1.562 1.00 0.00 C ATOM 1451 NE2 HIS A 119 2.345 -14.251 1.657 1.00 0.00 N ATOM 0 H HIS A 119 -3.536 -14.034 3.271 1.00 0.00 H new ATOM 0 HA HIS A 119 -1.484 -12.580 1.935 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -1.188 -14.291 3.760 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.621 -15.536 2.605 1.00 0.00 H new ATOM 0 HD1 HIS A 119 0.461 -16.727 1.927 1.00 0.00 H new ATOM 0 HD2 HIS A 119 1.042 -12.592 2.260 1.00 0.00 H new ATOM 0 HE1 HIS A 119 2.870 -16.283 1.252 1.00 0.00 H new ATOM 1459 N SER A 120 -1.620 -13.223 -0.444 1.00 0.00 N ATOM 1460 CA SER A 120 -1.790 -13.479 -1.861 1.00 0.00 C ATOM 1461 C SER A 120 -1.130 -14.794 -2.255 1.00 0.00 C ATOM 1462 O SER A 120 0.066 -14.985 -2.054 1.00 0.00 O ATOM 1463 CB SER A 120 -1.190 -12.328 -2.664 1.00 0.00 C ATOM 1464 OG SER A 120 -1.624 -11.081 -2.151 1.00 0.00 O ATOM 0 H SER A 120 -1.031 -12.418 -0.231 1.00 0.00 H new ATOM 0 HA SER A 120 -2.855 -13.555 -2.078 1.00 0.00 H new ATOM 0 HB2 SER A 120 -0.102 -12.382 -2.630 1.00 0.00 H new ATOM 0 HB3 SER A 120 -1.481 -12.418 -3.711 1.00 0.00 H new ATOM 0 HG SER A 120 -1.600 -10.408 -2.863 1.00 0.00 H new ATOM 1470 N ARG A 121 -1.918 -15.702 -2.801 1.00 0.00 N ATOM 1471 CA ARG A 121 -1.398 -16.968 -3.278 1.00 0.00 C ATOM 1472 C ARG A 121 -1.626 -17.053 -4.782 1.00 0.00 C ATOM 1473 O ARG A 121 -1.923 -18.112 -5.334 1.00 0.00 O ATOM 1474 CB ARG A 121 -2.085 -18.122 -2.544 1.00 0.00 C ATOM 1475 CG ARG A 121 -1.318 -19.437 -2.584 1.00 0.00 C ATOM 1476 CD ARG A 121 0.069 -19.305 -1.967 1.00 0.00 C ATOM 1477 NE ARG A 121 1.091 -18.991 -2.965 1.00 0.00 N ATOM 1478 CZ ARG A 121 2.188 -18.283 -2.714 1.00 0.00 C ATOM 1479 NH1 ARG A 121 2.369 -17.741 -1.517 1.00 0.00 N ATOM 1480 NH2 ARG A 121 3.096 -18.103 -3.661 1.00 0.00 N ATOM 0 H ARG A 121 -2.924 -15.585 -2.925 1.00 0.00 H new ATOM 0 HA ARG A 121 -0.329 -17.039 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -2.237 -17.836 -1.503 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -3.072 -18.277 -2.980 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -1.881 -20.202 -2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.225 -19.772 -3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.054 -18.524 -1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 121 0.330 -20.235 -1.462 1.00 0.00 H new ATOM 0 HE ARG A 121 0.953 -19.337 -3.914 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.666 -17.867 -0.788 1.00 0.00 H new ATOM 0 HH12 ARG A 121 3.211 -17.198 -1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.955 -18.508 -4.586 1.00 0.00 H new ATOM 0 HH22 ARG A 121 3.936 -17.559 -3.465 1.00 0.00 H new ATOM 1493 N ASN A 122 -1.490 -15.906 -5.433 1.00 0.00 N ATOM 1494 CA ASN A 122 -1.756 -15.781 -6.858 1.00 0.00 C ATOM 1495 C ASN A 122 -0.544 -15.173 -7.547 1.00 0.00 C ATOM 1496 O ASN A 122 0.066 -14.244 -7.021 1.00 0.00 O ATOM 1497 CB ASN A 122 -2.987 -14.900 -7.101 1.00 0.00 C ATOM 1498 CG ASN A 122 -4.211 -15.371 -6.338 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -4.433 -14.972 -5.195 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -5.007 -16.226 -6.959 1.00 0.00 N ATOM 0 H ASN A 122 -1.193 -15.038 -4.988 1.00 0.00 H new ATOM 0 HA ASN A 122 -1.953 -16.771 -7.268 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -2.757 -13.875 -6.811 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -3.213 -14.886 -8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -5.841 -16.579 -6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.787 -16.532 -7.907 1.00 0.00 H new ATOM 1507 N ASP A 123 -0.210 -15.677 -8.726 1.00 0.00 N ATOM 1508 CA ASP A 123 1.000 -15.246 -9.426 1.00 0.00 C ATOM 1509 C ASP A 123 0.733 -14.023 -10.302 1.00 0.00 C ATOM 1510 O ASP A 123 1.461 -13.766 -11.261 1.00 0.00 O ATOM 1511 CB ASP A 123 1.561 -16.380 -10.291 1.00 0.00 C ATOM 1512 CG ASP A 123 1.868 -17.635 -9.499 1.00 0.00 C ATOM 1513 OD1 ASP A 123 2.962 -17.723 -8.905 1.00 0.00 O ATOM 1514 OD2 ASP A 123 1.015 -18.553 -9.481 1.00 0.00 O ATOM 0 H ASP A 123 -0.756 -16.383 -9.220 1.00 0.00 H new ATOM 0 HA ASP A 123 1.733 -14.976 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 123 0.844 -16.619 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 123 2.471 -16.037 -10.784 1.00 0.00 H new ATOM 1519 N MET A 124 -0.319 -13.279 -9.985 1.00 0.00 N ATOM 1520 CA MET A 124 -0.642 -12.058 -10.713 1.00 0.00 C ATOM 1521 C MET A 124 -0.933 -10.909 -9.759 1.00 0.00 C ATOM 1522 O MET A 124 -1.699 -10.001 -10.086 1.00 0.00 O ATOM 1523 CB MET A 124 -1.850 -12.261 -11.631 1.00 0.00 C ATOM 1524 CG MET A 124 -1.573 -13.120 -12.851 1.00 0.00 C ATOM 1525 SD MET A 124 -2.979 -13.182 -13.979 1.00 0.00 S ATOM 1526 CE MET A 124 -3.148 -11.451 -14.409 1.00 0.00 C ATOM 0 H MET A 124 -0.965 -13.500 -9.227 1.00 0.00 H new ATOM 0 HA MET A 124 0.230 -11.811 -11.318 1.00 0.00 H new ATOM 0 HB2 MET A 124 -2.656 -12.717 -11.056 1.00 0.00 H new ATOM 0 HB3 MET A 124 -2.207 -11.286 -11.962 1.00 0.00 H new ATOM 0 HG2 MET A 124 -0.704 -12.728 -13.379 1.00 0.00 H new ATOM 0 HG3 MET A 124 -1.322 -14.131 -12.531 1.00 0.00 H new ATOM 0 HE1 MET A 124 -3.618 -11.364 -15.389 1.00 0.00 H new ATOM 0 HE2 MET A 124 -3.766 -10.950 -13.664 1.00 0.00 H new ATOM 0 HE3 MET A 124 -2.163 -10.985 -14.436 1.00 0.00 H new ATOM 1536 N CYS A 125 -0.324 -10.937 -8.587 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.555 -9.882 -7.612 1.00 0.00 C ATOM 1538 C CYS A 125 0.330 -8.682 -7.923 1.00 0.00 C ATOM 1539 O CYS A 125 1.554 -8.745 -7.796 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.311 -10.372 -6.181 1.00 0.00 C ATOM 1541 SG CYS A 125 -1.590 -9.823 -4.998 1.00 0.00 S ATOM 0 H CYS A 125 0.325 -11.666 -8.289 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.601 -9.583 -7.681 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -0.269 -11.461 -6.180 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.662 -10.015 -5.844 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.295 -7.598 -8.362 1.00 0.00 N ATOM 1547 CA HIS A 126 0.425 -6.371 -8.669 1.00 0.00 C ATOM 1548 C HIS A 126 0.617 -5.556 -7.400 1.00 0.00 C ATOM 1549 O HIS A 126 -0.321 -5.374 -6.627 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.330 -5.544 -9.718 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.484 -6.243 -11.036 1.00 0.00 C ATOM 1552 ND1 HIS A 126 -1.689 -6.727 -11.496 1.00 0.00 N ATOM 1553 CD2 HIS A 126 0.429 -6.541 -11.990 1.00 0.00 C ATOM 1554 CE1 HIS A 126 -1.512 -7.295 -12.675 1.00 0.00 C ATOM 1555 NE2 HIS A 126 -0.235 -7.195 -12.996 1.00 0.00 N ATOM 0 H HIS A 126 -1.302 -7.544 -8.514 1.00 0.00 H new ATOM 0 HA HIS A 126 1.400 -6.634 -9.079 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.318 -5.295 -9.330 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.197 -4.603 -9.875 1.00 0.00 H new ATOM 0 HD1 HIS A 126 -2.579 -6.657 -11.003 1.00 0.00 H new ATOM 0 HD2 HIS A 126 1.483 -6.307 -11.964 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -2.280 -7.761 -13.274 1.00 0.00 H new ATOM 1563 N SER A 127 1.835 -5.082 -7.183 1.00 0.00 N ATOM 1564 CA SER A 127 2.166 -4.333 -5.981 1.00 0.00 C ATOM 1565 C SER A 127 1.480 -2.968 -5.983 1.00 0.00 C ATOM 1566 O SER A 127 1.177 -2.412 -7.043 1.00 0.00 O ATOM 1567 CB SER A 127 3.680 -4.153 -5.894 1.00 0.00 C ATOM 1568 OG SER A 127 4.348 -5.389 -6.099 1.00 0.00 O ATOM 0 H SER A 127 2.615 -5.204 -7.829 1.00 0.00 H new ATOM 0 HA SER A 127 1.812 -4.891 -5.114 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.008 -3.429 -6.640 1.00 0.00 H new ATOM 0 HB3 SER A 127 3.947 -3.748 -4.918 1.00 0.00 H new ATOM 0 HG SER A 127 5.316 -5.251 -6.041 1.00 0.00 H new ATOM 1574 N LEU A 128 1.204 -2.451 -4.795 1.00 0.00 N ATOM 1575 CA LEU A 128 0.634 -1.123 -4.653 1.00 0.00 C ATOM 1576 C LEU A 128 1.751 -0.123 -4.384 1.00 0.00 C ATOM 1577 O LEU A 128 2.483 -0.248 -3.401 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.400 -1.105 -3.519 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.283 0.144 -3.438 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.625 -0.199 -2.810 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.596 1.236 -2.634 1.00 0.00 C ATOM 0 H LEU A 128 1.367 -2.935 -3.912 1.00 0.00 H new ATOM 0 HA LEU A 128 0.124 -0.845 -5.575 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.046 -1.976 -3.628 1.00 0.00 H new ATOM 0 HB3 LEU A 128 0.127 -1.216 -2.571 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.449 0.511 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.242 0.698 -2.759 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.129 -0.952 -3.416 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.467 -0.589 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.240 2.114 -2.589 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.401 0.876 -1.624 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.347 1.502 -3.112 1.00 0.00 H new ATOM 1593 N GLY A 129 1.876 0.856 -5.261 1.00 0.00 N ATOM 1594 CA GLY A 129 2.937 1.829 -5.143 1.00 0.00 C ATOM 1595 C GLY A 129 2.426 3.187 -4.735 1.00 0.00 C ATOM 1596 O GLY A 129 1.377 3.636 -5.206 1.00 0.00 O ATOM 0 H GLY A 129 1.256 0.995 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.665 1.482 -4.410 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.459 1.911 -6.096 1.00 0.00 H new ATOM 1600 N LEU A 130 3.164 3.834 -3.854 1.00 0.00 N ATOM 1601 CA LEU A 130 2.828 5.171 -3.411 1.00 0.00 C ATOM 1602 C LEU A 130 3.998 6.110 -3.673 1.00 0.00 C ATOM 1603 O LEU A 130 5.113 5.871 -3.204 1.00 0.00 O ATOM 1604 CB LEU A 130 2.473 5.162 -1.920 1.00 0.00 C ATOM 1605 CG LEU A 130 2.168 6.530 -1.300 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.981 7.193 -1.983 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.912 6.385 0.194 1.00 0.00 C ATOM 0 H LEU A 130 4.008 3.450 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 130 1.961 5.524 -3.969 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.606 4.517 -1.776 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.300 4.711 -1.371 1.00 0.00 H new ATOM 0 HG LEU A 130 3.037 7.171 -1.448 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.790 8.161 -1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 130 1.202 7.333 -3.041 1.00 0.00 H new ATOM 0 HD13 LEU A 130 0.100 6.560 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.697 7.364 0.623 1.00 0.00 H new ATOM 0 HD22 LEU A 130 1.061 5.723 0.355 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.795 5.964 0.675 1.00 0.00 H new ATOM 1619 N THR A 131 3.748 7.151 -4.449 1.00 0.00 N ATOM 1620 CA THR A 131 4.761 8.148 -4.735 1.00 0.00 C ATOM 1621 C THR A 131 4.502 9.409 -3.925 1.00 0.00 C ATOM 1622 O THR A 131 3.586 10.172 -4.226 1.00 0.00 O ATOM 1623 CB THR A 131 4.796 8.514 -6.235 1.00 0.00 C ATOM 1624 OG1 THR A 131 5.063 7.346 -7.026 1.00 0.00 O ATOM 1625 CG2 THR A 131 5.856 9.571 -6.513 1.00 0.00 C ATOM 0 H THR A 131 2.847 7.327 -4.893 1.00 0.00 H new ATOM 0 HA THR A 131 5.724 7.717 -4.460 1.00 0.00 H new ATOM 0 HB THR A 131 3.820 8.918 -6.505 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.999 7.354 -7.315 1.00 0.00 H new ATOM 0 HG21 THR A 131 5.860 9.811 -7.576 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.633 10.470 -5.939 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.835 9.189 -6.223 1.00 0.00 H new ATOM 1633 N CYS A 132 5.292 9.609 -2.893 1.00 0.00 N ATOM 1634 CA CYS A 132 5.221 10.822 -2.101 1.00 0.00 C ATOM 1635 C CYS A 132 6.324 11.777 -2.545 1.00 0.00 C ATOM 1636 O CYS A 132 7.447 11.353 -2.816 1.00 0.00 O ATOM 1637 CB CYS A 132 5.370 10.502 -0.608 1.00 0.00 C ATOM 1638 SG CYS A 132 4.339 9.111 -0.034 1.00 0.00 S ATOM 0 H CYS A 132 5.997 8.942 -2.579 1.00 0.00 H new ATOM 0 HA CYS A 132 4.249 11.290 -2.253 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.415 10.275 -0.399 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.115 11.391 -0.030 1.00 0.00 H new ATOM 1643 N LEU A 133 5.991 13.052 -2.646 1.00 0.00 N ATOM 1644 CA LEU A 133 6.959 14.069 -3.018 1.00 0.00 C ATOM 1645 C LEU A 133 7.957 14.227 -1.876 1.00 0.00 C ATOM 1646 O LEU A 133 7.561 14.576 -0.771 1.00 0.00 O ATOM 1647 CB LEU A 133 6.226 15.392 -3.294 1.00 0.00 C ATOM 1648 CG LEU A 133 6.994 16.447 -4.101 1.00 0.00 C ATOM 1649 CD1 LEU A 133 6.028 17.487 -4.647 1.00 0.00 C ATOM 1650 CD2 LEU A 133 8.055 17.125 -3.248 1.00 0.00 C ATOM 0 H LEU A 133 5.051 13.409 -2.474 1.00 0.00 H new ATOM 0 HA LEU A 133 7.494 13.780 -3.922 1.00 0.00 H new ATOM 0 HB2 LEU A 133 5.301 15.165 -3.824 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.946 15.832 -2.337 1.00 0.00 H new ATOM 0 HG LEU A 133 7.493 15.944 -4.929 1.00 0.00 H new ATOM 0 HD11 LEU A 133 6.581 18.232 -5.219 1.00 0.00 H new ATOM 0 HD12 LEU A 133 5.298 17.001 -5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 133 5.512 17.974 -3.820 1.00 0.00 H new ATOM 0 HD21 LEU A 133 8.583 17.868 -3.846 1.00 0.00 H new ATOM 0 HD22 LEU A 133 7.580 17.615 -2.398 1.00 0.00 H new ATOM 0 HD23 LEU A 133 8.763 16.379 -2.888 1.00 0.00 H new ATOM 1662 N GLU A 134 9.226 13.924 -2.139 1.00 0.00 N ATOM 1663 CA GLU A 134 10.274 14.001 -1.113 1.00 0.00 C ATOM 1664 C GLU A 134 10.221 15.332 -0.366 1.00 0.00 C ATOM 1665 O GLU A 134 10.567 16.369 -0.972 1.00 0.00 O ATOM 1666 CB GLU A 134 11.673 13.831 -1.723 1.00 0.00 C ATOM 1667 CG GLU A 134 11.850 12.596 -2.596 1.00 0.00 C ATOM 1668 CD GLU A 134 11.291 12.786 -3.991 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.923 13.500 -4.794 1.00 0.00 O ATOM 1670 OE2 GLU A 134 10.218 12.230 -4.289 1.00 0.00 O ATOM 1671 OXT GLU A 134 9.848 15.332 0.824 1.00 0.00 O ATOM 0 H GLU A 134 9.558 13.622 -3.055 1.00 0.00 H new ATOM 0 HA GLU A 134 10.087 13.185 -0.415 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.903 14.714 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 134 12.403 13.793 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 134 12.910 12.352 -2.663 1.00 0.00 H new ATOM 0 HG3 GLU A 134 11.357 11.747 -2.123 1.00 0.00 H new