USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 806 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 108 TYR OH : rot 30:sc= 0.575 USER MOD Set 1.2: A 118 SER OG : rot 131:sc= 0.587 USER MOD Set 2.1: A 29 TYR OH : rot -170:sc= 1.08 USER MOD Set 2.2: A 76 GLN : amide:sc= 0.134! K(o=1.2!,f=-1.7) USER MOD Set 3.1: A 62 GLN : amide:sc= -1.47! C(o=-1.5!,f=-9.5!) USER MOD Set 3.2: A 126 HIS :FLIP no HD1:sc= -0.0314 F(o=-2.1,f=-1.5) USER MOD Set 4.1: A 58 MET CE :methyl -122:sc= -2.99! (180deg=-5.6!) USER MOD Set 4.2: A 98 THR OG1 : rot -171:sc= 0 USER MOD Set 4.3: A 127 SER OG : rot -140:sc= 0.256 USER MOD Set 5.1: A 38 THR OG1 : rot 150:sc= 0.732 USER MOD Set 5.2: A 47 GLN : amide:sc= -0.665 X(o=0.067,f=-0.37) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -0.0382 F(o=-0.79,f=-0.038) USER MOD Single : A 40 SER OG : rot -112:sc= 0.979 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.0079) USER MOD Single : A 42 SER OG : rot 140:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 GLN : amide:sc= -0.109 K(o=-0.11,f=-0.9) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 HIS : no HE2:sc= 0.357 K(o=0.36,f=-1.5!) USER MOD Single : A 61 SER OG : rot 150:sc= -2.07! USER MOD Single : A 63 SER OG : rot 101:sc= 2.03 USER MOD Single : A 67 SER OG : rot 87:sc= 1.18 USER MOD Single : A 68 SER OG : rot 180:sc= 0.0523 USER MOD Single : A 69 LYS NZ :NH3+ 165:sc= -0.0392 (180deg=-0.322) USER MOD Single : A 70 GLN : amide:sc= -1.17! C(o=-1.2!,f=-3.9!) USER MOD Single : A 75 SER OG : rot -118:sc= 1.21 USER MOD Single : A 78 SER OG : rot -118:sc= 1.28 USER MOD Single : A 79 LYS NZ :NH3+ -162:sc= -0.0635 (180deg=-0.374) USER MOD Single : A 82 GLN : amide:sc= -0.0649 X(o=-0.065,f=0) USER MOD Single : A 85 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.2) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 TYR OH : rot 30:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= -0.0121 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot -77:sc= 0.225 USER MOD Single : A 110 GLN : amide:sc= 0 K(o=0,f=-0.64) USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot -42:sc= 0.0651 USER MOD Single : A 116 ASN : amide:sc= 0.956 K(o=0.96,f=-0.0098) USER MOD Single : A 119 HIS : no HD1:sc= -0.529 X(o=-0.53,f=-0.46) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 122 ASN : amide:sc= -0.0221 K(o=-0.022,f=-4.4!) USER MOD Single : A 124 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 25 -9.325 -1.437 13.728 1.00 0.00 N ATOM 2 CA ARG A 25 -9.200 -0.552 12.549 1.00 0.00 C ATOM 3 C ARG A 25 -7.736 -0.277 12.231 1.00 0.00 C ATOM 4 O ARG A 25 -6.978 0.165 13.091 1.00 0.00 O ATOM 5 CB ARG A 25 -9.922 0.774 12.801 1.00 0.00 C ATOM 6 CG ARG A 25 -9.801 1.764 11.652 1.00 0.00 C ATOM 7 CD ARG A 25 -10.464 3.088 11.988 1.00 0.00 C ATOM 8 NE ARG A 25 -9.843 3.737 13.145 1.00 0.00 N ATOM 9 CZ ARG A 25 -10.531 4.272 14.149 1.00 0.00 C ATOM 10 NH1 ARG A 25 -11.858 4.255 14.123 1.00 0.00 N ATOM 11 NH2 ARG A 25 -9.906 4.842 15.168 1.00 0.00 N ATOM 0 HA ARG A 25 -9.657 -1.059 11.699 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -10.977 0.573 12.987 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -9.520 1.230 13.706 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.748 1.930 11.423 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -10.259 1.343 10.757 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -10.405 3.752 11.125 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -11.522 2.922 12.191 1.00 0.00 H new ATOM 0 HE ARG A 25 -8.825 3.781 13.183 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -12.347 3.832 13.334 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -12.388 4.665 14.892 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.887 4.874 15.188 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -10.444 5.249 15.933 1.00 0.00 H new ATOM 23 N LEU A 26 -7.349 -0.548 10.992 1.00 0.00 N ATOM 24 CA LEU A 26 -6.000 -0.256 10.523 1.00 0.00 C ATOM 25 C LEU A 26 -6.067 0.483 9.196 1.00 0.00 C ATOM 26 O LEU A 26 -5.710 -0.057 8.153 1.00 0.00 O ATOM 27 CB LEU A 26 -5.179 -1.542 10.358 1.00 0.00 C ATOM 28 CG LEU A 26 -4.916 -2.336 11.640 1.00 0.00 C ATOM 29 CD1 LEU A 26 -4.147 -3.605 11.321 1.00 0.00 C ATOM 30 CD2 LEU A 26 -4.147 -1.494 12.649 1.00 0.00 C ATOM 0 H LEU A 26 -7.954 -0.972 10.289 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.508 0.369 11.268 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -5.695 -2.191 9.651 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.219 -1.283 9.911 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.876 -2.605 12.080 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.966 -4.161 12.241 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -4.728 -4.220 10.634 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.194 -3.347 10.859 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.971 -2.079 13.552 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.191 -1.194 12.219 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.727 -0.606 12.899 1.00 0.00 H new ATOM 42 N SER A 27 -6.540 1.716 9.239 1.00 0.00 N ATOM 43 CA SER A 27 -6.694 2.509 8.032 1.00 0.00 C ATOM 44 C SER A 27 -5.528 3.477 7.912 1.00 0.00 C ATOM 45 O SER A 27 -4.887 3.814 8.909 1.00 0.00 O ATOM 46 CB SER A 27 -8.023 3.275 8.061 1.00 0.00 C ATOM 47 OG SER A 27 -8.238 3.985 6.852 1.00 0.00 O ATOM 0 H SER A 27 -6.824 2.190 10.096 1.00 0.00 H new ATOM 0 HA SER A 27 -6.702 1.847 7.166 1.00 0.00 H new ATOM 0 HB2 SER A 27 -8.844 2.577 8.225 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.025 3.972 8.899 1.00 0.00 H new ATOM 0 HG SER A 27 -9.093 4.461 6.900 1.00 0.00 H new ATOM 53 N TRP A 28 -5.255 3.930 6.695 1.00 0.00 N ATOM 54 CA TRP A 28 -4.176 4.882 6.471 1.00 0.00 C ATOM 55 C TRP A 28 -4.580 6.294 6.903 1.00 0.00 C ATOM 56 O TRP A 28 -3.919 7.276 6.562 1.00 0.00 O ATOM 57 CB TRP A 28 -3.696 4.859 5.011 1.00 0.00 C ATOM 58 CG TRP A 28 -4.778 4.883 3.964 1.00 0.00 C ATOM 59 CD1 TRP A 28 -6.027 5.430 4.058 1.00 0.00 C ATOM 60 CD2 TRP A 28 -4.681 4.344 2.639 1.00 0.00 C ATOM 61 NE1 TRP A 28 -6.714 5.248 2.880 1.00 0.00 N ATOM 62 CE2 TRP A 28 -5.906 4.590 1.993 1.00 0.00 C ATOM 63 CE3 TRP A 28 -3.674 3.674 1.938 1.00 0.00 C ATOM 64 CZ2 TRP A 28 -6.151 4.189 0.681 1.00 0.00 C ATOM 65 CZ3 TRP A 28 -3.918 3.278 0.637 1.00 0.00 C ATOM 66 CH2 TRP A 28 -5.148 3.536 0.020 1.00 0.00 C ATOM 0 H TRP A 28 -5.762 3.656 5.854 1.00 0.00 H new ATOM 0 HA TRP A 28 -3.336 4.574 7.094 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.042 5.716 4.850 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -3.092 3.964 4.861 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -6.418 5.932 4.931 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -7.670 5.554 2.698 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.722 3.470 2.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -7.099 4.387 0.203 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -3.146 2.760 0.086 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -5.308 3.213 -0.998 1.00 0.00 H new ATOM 77 N TYR A 29 -5.678 6.380 7.649 1.00 0.00 N ATOM 78 CA TYR A 29 -6.087 7.615 8.296 1.00 0.00 C ATOM 79 C TYR A 29 -5.836 7.526 9.798 1.00 0.00 C ATOM 80 O TYR A 29 -6.072 8.485 10.536 1.00 0.00 O ATOM 81 CB TYR A 29 -7.563 7.915 8.021 1.00 0.00 C ATOM 82 CG TYR A 29 -7.812 8.456 6.632 1.00 0.00 C ATOM 83 CD1 TYR A 29 -7.761 9.820 6.386 1.00 0.00 C ATOM 84 CD2 TYR A 29 -8.081 7.608 5.565 1.00 0.00 C ATOM 85 CE1 TYR A 29 -7.971 10.326 5.120 1.00 0.00 C ATOM 86 CE2 TYR A 29 -8.296 8.108 4.295 1.00 0.00 C ATOM 87 CZ TYR A 29 -8.238 9.467 4.079 1.00 0.00 C ATOM 88 OH TYR A 29 -8.434 9.967 2.813 1.00 0.00 O ATOM 0 H TYR A 29 -6.306 5.594 7.820 1.00 0.00 H new ATOM 0 HA TYR A 29 -5.494 8.431 7.884 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -8.144 7.003 8.158 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.923 8.636 8.755 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -7.553 10.498 7.200 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.123 6.542 5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.926 11.391 4.947 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -8.508 7.437 3.476 1.00 0.00 H new ATOM 0 HH TYR A 29 -8.763 9.254 2.227 1.00 0.00 H new ATOM 98 N ASP A 30 -5.367 6.365 10.249 1.00 0.00 N ATOM 99 CA ASP A 30 -5.010 6.171 11.648 1.00 0.00 C ATOM 100 C ASP A 30 -3.593 6.674 11.887 1.00 0.00 C ATOM 101 O ASP A 30 -2.654 6.241 11.221 1.00 0.00 O ATOM 102 CB ASP A 30 -5.109 4.693 12.051 1.00 0.00 C ATOM 103 CG ASP A 30 -6.536 4.181 12.143 1.00 0.00 C ATOM 104 OD1 ASP A 30 -7.096 3.768 11.110 1.00 0.00 O ATOM 105 OD2 ASP A 30 -7.100 4.177 13.262 1.00 0.00 O ATOM 0 H ASP A 30 -5.226 5.543 9.662 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.713 6.736 12.260 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.562 4.090 11.326 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.620 4.555 13.015 1.00 0.00 H new ATOM 110 N PRO A 31 -3.419 7.592 12.846 1.00 0.00 N ATOM 111 CA PRO A 31 -2.120 8.213 13.136 1.00 0.00 C ATOM 112 C PRO A 31 -1.092 7.210 13.654 1.00 0.00 C ATOM 113 O PRO A 31 0.112 7.468 13.644 1.00 0.00 O ATOM 114 CB PRO A 31 -2.442 9.249 14.219 1.00 0.00 C ATOM 115 CG PRO A 31 -3.921 9.425 14.173 1.00 0.00 C ATOM 116 CD PRO A 31 -4.477 8.108 13.725 1.00 0.00 C ATOM 0 HA PRO A 31 -1.674 8.641 12.238 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.118 8.904 15.201 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.928 10.191 14.026 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.312 9.701 15.152 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -4.198 10.221 13.482 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -4.665 7.441 14.566 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -5.422 8.227 13.195 1.00 0.00 H new ATOM 124 N ASP A 32 -1.578 6.064 14.110 1.00 0.00 N ATOM 125 CA ASP A 32 -0.706 5.009 14.617 1.00 0.00 C ATOM 126 C ASP A 32 -0.612 3.849 13.634 1.00 0.00 C ATOM 127 O ASP A 32 -0.236 2.738 14.010 1.00 0.00 O ATOM 128 CB ASP A 32 -1.193 4.499 15.978 1.00 0.00 C ATOM 129 CG ASP A 32 -0.915 5.476 17.102 1.00 0.00 C ATOM 130 OD1 ASP A 32 0.259 5.599 17.510 1.00 0.00 O ATOM 131 OD2 ASP A 32 -1.865 6.120 17.591 1.00 0.00 O ATOM 0 H ASP A 32 -2.572 5.839 14.140 1.00 0.00 H new ATOM 0 HA ASP A 32 0.287 5.441 14.739 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.265 4.306 15.927 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.708 3.548 16.200 1.00 0.00 H new ATOM 136 N PHE A 33 -0.960 4.105 12.378 1.00 0.00 N ATOM 137 CA PHE A 33 -0.858 3.088 11.341 1.00 0.00 C ATOM 138 C PHE A 33 0.606 2.862 10.975 1.00 0.00 C ATOM 139 O PHE A 33 1.310 3.791 10.573 1.00 0.00 O ATOM 140 CB PHE A 33 -1.675 3.499 10.110 1.00 0.00 C ATOM 141 CG PHE A 33 -1.606 2.518 8.976 1.00 0.00 C ATOM 142 CD1 PHE A 33 -2.088 1.225 9.126 1.00 0.00 C ATOM 143 CD2 PHE A 33 -1.064 2.891 7.757 1.00 0.00 C ATOM 144 CE1 PHE A 33 -2.029 0.327 8.081 1.00 0.00 C ATOM 145 CE2 PHE A 33 -1.003 1.996 6.710 1.00 0.00 C ATOM 146 CZ PHE A 33 -1.485 0.713 6.872 1.00 0.00 C ATOM 0 H PHE A 33 -1.314 5.005 12.055 1.00 0.00 H new ATOM 0 HA PHE A 33 -1.266 2.151 11.719 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.717 3.626 10.404 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.322 4.469 9.760 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.513 0.919 10.070 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.685 3.894 7.625 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.408 -0.676 8.208 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.579 2.299 5.764 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.437 0.011 6.053 1.00 0.00 H new ATOM 156 N GLN A 34 1.062 1.628 11.133 1.00 0.00 N ATOM 157 CA GLN A 34 2.460 1.296 10.900 1.00 0.00 C ATOM 158 C GLN A 34 2.661 0.757 9.490 1.00 0.00 C ATOM 159 O GLN A 34 2.180 -0.327 9.154 1.00 0.00 O ATOM 160 CB GLN A 34 2.942 0.264 11.924 1.00 0.00 C ATOM 161 CG GLN A 34 2.778 0.706 13.371 1.00 0.00 C ATOM 162 CD GLN A 34 3.553 1.970 13.711 1.00 0.00 C ATOM 163 OE1 GLN A 34 4.696 2.162 13.070 1.00 0.00 O flip ATOM 164 NE2 GLN A 34 3.133 2.759 14.562 1.00 0.00 N flip ATOM 0 H GLN A 34 0.483 0.839 11.422 1.00 0.00 H new ATOM 0 HA GLN A 34 3.046 2.208 11.011 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.393 -0.666 11.774 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.994 0.046 11.738 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.720 0.872 13.574 1.00 0.00 H new ATOM 0 HG3 GLN A 34 3.106 -0.100 14.028 1.00 0.00 H new ATOM 0 HE21 GLN A 34 2.248 2.576 15.034 1.00 0.00 H new ATOM 0 HE22 GLN A 34 3.671 3.594 14.793 1.00 0.00 H new ATOM 173 N ALA A 35 3.370 1.518 8.671 1.00 0.00 N ATOM 174 CA ALA A 35 3.641 1.123 7.299 1.00 0.00 C ATOM 175 C ALA A 35 5.002 1.639 6.854 1.00 0.00 C ATOM 176 O ALA A 35 5.563 2.543 7.473 1.00 0.00 O ATOM 177 CB ALA A 35 2.553 1.641 6.368 1.00 0.00 C ATOM 0 H ALA A 35 3.770 2.418 8.936 1.00 0.00 H new ATOM 0 HA ALA A 35 3.649 0.034 7.253 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.773 1.335 5.345 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.590 1.230 6.670 1.00 0.00 H new ATOM 0 HB3 ALA A 35 2.516 2.729 6.421 1.00 0.00 H new ATOM 183 N ARG A 36 5.526 1.056 5.791 1.00 0.00 N ATOM 184 CA ARG A 36 6.791 1.484 5.228 1.00 0.00 C ATOM 185 C ARG A 36 6.718 1.431 3.710 1.00 0.00 C ATOM 186 O ARG A 36 5.921 0.682 3.140 1.00 0.00 O ATOM 187 CB ARG A 36 7.946 0.593 5.709 1.00 0.00 C ATOM 188 CG ARG A 36 7.919 -0.811 5.125 1.00 0.00 C ATOM 189 CD ARG A 36 9.310 -1.425 5.068 1.00 0.00 C ATOM 190 NE ARG A 36 9.834 -1.779 6.389 1.00 0.00 N ATOM 191 CZ ARG A 36 10.894 -1.195 6.944 1.00 0.00 C ATOM 192 NH1 ARG A 36 11.457 -0.152 6.355 1.00 0.00 N ATOM 193 NH2 ARG A 36 11.389 -1.646 8.086 1.00 0.00 N ATOM 0 H ARG A 36 5.089 0.278 5.297 1.00 0.00 H new ATOM 0 HA ARG A 36 6.980 2.505 5.561 1.00 0.00 H new ATOM 0 HB2 ARG A 36 8.892 1.067 5.448 1.00 0.00 H new ATOM 0 HB3 ARG A 36 7.913 0.525 6.796 1.00 0.00 H new ATOM 0 HG2 ARG A 36 7.267 -1.443 5.728 1.00 0.00 H new ATOM 0 HG3 ARG A 36 7.494 -0.779 4.122 1.00 0.00 H new ATOM 0 HD2 ARG A 36 9.282 -2.318 4.443 1.00 0.00 H new ATOM 0 HD3 ARG A 36 9.992 -0.722 4.589 1.00 0.00 H new ATOM 0 HE ARG A 36 9.360 -2.514 6.913 1.00 0.00 H new ATOM 0 HH11 ARG A 36 11.079 0.203 5.477 1.00 0.00 H new ATOM 0 HH12 ARG A 36 12.269 0.296 6.779 1.00 0.00 H new ATOM 0 HH21 ARG A 36 10.958 -2.447 8.548 1.00 0.00 H new ATOM 0 HH22 ARG A 36 12.201 -1.193 8.504 1.00 0.00 H new ATOM 206 N LEU A 37 7.533 2.243 3.066 1.00 0.00 N ATOM 207 CA LEU A 37 7.703 2.172 1.631 1.00 0.00 C ATOM 208 C LEU A 37 9.067 1.575 1.339 1.00 0.00 C ATOM 209 O LEU A 37 10.047 1.896 2.014 1.00 0.00 O ATOM 210 CB LEU A 37 7.567 3.561 1.012 1.00 0.00 C ATOM 211 CG LEU A 37 6.188 4.201 1.195 1.00 0.00 C ATOM 212 CD1 LEU A 37 6.201 5.645 0.735 1.00 0.00 C ATOM 213 CD2 LEU A 37 5.133 3.418 0.429 1.00 0.00 C ATOM 0 H LEU A 37 8.092 2.965 3.520 1.00 0.00 H new ATOM 0 HA LEU A 37 6.930 1.541 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 37 8.320 4.216 1.450 1.00 0.00 H new ATOM 0 HB3 LEU A 37 7.785 3.494 -0.054 1.00 0.00 H new ATOM 0 HG LEU A 37 5.941 4.178 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.211 6.080 0.874 1.00 0.00 H new ATOM 0 HD12 LEU A 37 6.930 6.207 1.320 1.00 0.00 H new ATOM 0 HD13 LEU A 37 6.471 5.688 -0.320 1.00 0.00 H new ATOM 0 HD21 LEU A 37 4.159 3.886 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 37 5.383 3.412 -0.632 1.00 0.00 H new ATOM 0 HD23 LEU A 37 5.100 2.393 0.799 1.00 0.00 H new ATOM 225 N THR A 38 9.112 0.680 0.365 1.00 0.00 N ATOM 226 CA THR A 38 10.337 -0.035 0.032 1.00 0.00 C ATOM 227 C THR A 38 11.474 0.923 -0.292 1.00 0.00 C ATOM 228 O THR A 38 11.266 1.953 -0.937 1.00 0.00 O ATOM 229 CB THR A 38 10.119 -0.971 -1.164 1.00 0.00 C ATOM 230 OG1 THR A 38 9.605 -0.227 -2.272 1.00 0.00 O ATOM 231 CG2 THR A 38 9.160 -2.093 -0.807 1.00 0.00 C ATOM 0 H THR A 38 8.310 0.429 -0.213 1.00 0.00 H new ATOM 0 HA THR A 38 10.608 -0.621 0.910 1.00 0.00 H new ATOM 0 HB THR A 38 11.078 -1.413 -1.435 1.00 0.00 H new ATOM 0 HG1 THR A 38 9.902 -0.640 -3.110 1.00 0.00 H new ATOM 0 HG21 THR A 38 9.022 -2.743 -1.671 1.00 0.00 H new ATOM 0 HG22 THR A 38 9.570 -2.672 0.021 1.00 0.00 H new ATOM 0 HG23 THR A 38 8.199 -1.671 -0.514 1.00 0.00 H new ATOM 239 N ARG A 39 12.672 0.565 0.154 1.00 0.00 N ATOM 240 CA ARG A 39 13.864 1.366 -0.091 1.00 0.00 C ATOM 241 C ARG A 39 14.273 1.258 -1.555 1.00 0.00 C ATOM 242 O ARG A 39 15.180 0.506 -1.916 1.00 0.00 O ATOM 243 CB ARG A 39 15.006 0.917 0.825 1.00 0.00 C ATOM 244 CG ARG A 39 14.723 1.140 2.305 1.00 0.00 C ATOM 245 CD ARG A 39 15.711 0.383 3.176 1.00 0.00 C ATOM 246 NE ARG A 39 15.588 -1.063 2.997 1.00 0.00 N ATOM 247 CZ ARG A 39 16.625 -1.889 2.918 1.00 0.00 C ATOM 248 NH1 ARG A 39 17.860 -1.424 3.050 1.00 0.00 N ATOM 249 NH2 ARG A 39 16.433 -3.184 2.730 1.00 0.00 N ATOM 0 H ARG A 39 12.844 -0.284 0.693 1.00 0.00 H new ATOM 0 HA ARG A 39 13.640 2.409 0.131 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.201 -0.142 0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 39 15.913 1.456 0.552 1.00 0.00 H new ATOM 0 HG2 ARG A 39 14.777 2.205 2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 39 13.708 0.816 2.536 1.00 0.00 H new ATOM 0 HD2 ARG A 39 16.726 0.695 2.932 1.00 0.00 H new ATOM 0 HD3 ARG A 39 15.543 0.636 4.223 1.00 0.00 H new ATOM 0 HE ARG A 39 14.651 -1.461 2.929 1.00 0.00 H new ATOM 0 HH11 ARG A 39 18.016 -0.429 3.213 1.00 0.00 H new ATOM 0 HH12 ARG A 39 18.654 -2.061 2.989 1.00 0.00 H new ATOM 0 HH21 ARG A 39 15.486 -3.552 2.645 1.00 0.00 H new ATOM 0 HH22 ARG A 39 17.232 -3.815 2.670 1.00 0.00 H new ATOM 262 N SER A 40 13.560 1.991 -2.389 1.00 0.00 N ATOM 263 CA SER A 40 13.800 2.000 -3.819 1.00 0.00 C ATOM 264 C SER A 40 14.838 3.062 -4.176 1.00 0.00 C ATOM 265 O SER A 40 15.771 2.812 -4.937 1.00 0.00 O ATOM 266 CB SER A 40 12.478 2.286 -4.536 1.00 0.00 C ATOM 267 OG SER A 40 11.942 3.532 -4.114 1.00 0.00 O ATOM 0 H SER A 40 12.796 2.598 -2.093 1.00 0.00 H new ATOM 0 HA SER A 40 14.187 1.031 -4.133 1.00 0.00 H new ATOM 0 HB2 SER A 40 12.638 2.299 -5.614 1.00 0.00 H new ATOM 0 HB3 SER A 40 11.765 1.488 -4.329 1.00 0.00 H new ATOM 0 HG SER A 40 11.118 3.378 -3.606 1.00 0.00 H new ATOM 273 N ASN A 41 14.672 4.239 -3.593 1.00 0.00 N ATOM 274 CA ASN A 41 15.514 5.391 -3.895 1.00 0.00 C ATOM 275 C ASN A 41 15.235 6.494 -2.887 1.00 0.00 C ATOM 276 O ASN A 41 16.124 7.248 -2.491 1.00 0.00 O ATOM 277 CB ASN A 41 15.233 5.885 -5.319 1.00 0.00 C ATOM 278 CG ASN A 41 16.035 7.116 -5.695 1.00 0.00 C ATOM 279 OD1 ASN A 41 15.579 8.245 -5.523 1.00 0.00 O ATOM 280 ND2 ASN A 41 17.236 6.907 -6.210 1.00 0.00 N ATOM 0 H ASN A 41 13.950 4.425 -2.897 1.00 0.00 H new ATOM 0 HA ASN A 41 16.564 5.104 -3.830 1.00 0.00 H new ATOM 0 HB2 ASN A 41 15.456 5.085 -6.025 1.00 0.00 H new ATOM 0 HB3 ASN A 41 14.171 6.108 -5.416 1.00 0.00 H new ATOM 0 HD21 ASN A 41 17.820 7.699 -6.480 1.00 0.00 H new ATOM 0 HD22 ASN A 41 17.578 5.954 -6.337 1.00 0.00 H new ATOM 287 N SER A 42 13.979 6.569 -2.481 1.00 0.00 N ATOM 288 CA SER A 42 13.545 7.467 -1.432 1.00 0.00 C ATOM 289 C SER A 42 12.545 6.728 -0.560 1.00 0.00 C ATOM 290 O SER A 42 11.774 5.909 -1.062 1.00 0.00 O ATOM 291 CB SER A 42 12.906 8.724 -2.032 1.00 0.00 C ATOM 292 OG SER A 42 12.352 9.553 -1.022 1.00 0.00 O ATOM 0 H SER A 42 13.228 6.002 -2.875 1.00 0.00 H new ATOM 0 HA SER A 42 14.400 7.783 -0.834 1.00 0.00 H new ATOM 0 HB2 SER A 42 13.655 9.282 -2.594 1.00 0.00 H new ATOM 0 HB3 SER A 42 12.127 8.437 -2.738 1.00 0.00 H new ATOM 0 HG SER A 42 12.535 10.492 -1.233 1.00 0.00 H new ATOM 298 N LYS A 43 12.562 7.003 0.736 1.00 0.00 N ATOM 299 CA LYS A 43 11.695 6.298 1.675 1.00 0.00 C ATOM 300 C LYS A 43 10.242 6.745 1.519 1.00 0.00 C ATOM 301 O LYS A 43 9.357 6.259 2.219 1.00 0.00 O ATOM 302 CB LYS A 43 12.163 6.499 3.128 1.00 0.00 C ATOM 303 CG LYS A 43 11.754 7.827 3.762 1.00 0.00 C ATOM 304 CD LYS A 43 12.502 9.014 3.170 1.00 0.00 C ATOM 305 CE LYS A 43 12.087 10.315 3.839 1.00 0.00 C ATOM 306 NZ LYS A 43 12.797 11.491 3.269 1.00 0.00 N ATOM 0 H LYS A 43 13.164 7.707 1.163 1.00 0.00 H new ATOM 0 HA LYS A 43 11.757 5.235 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 43 11.767 5.686 3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 43 13.250 6.419 3.158 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.682 7.974 3.628 1.00 0.00 H new ATOM 0 HG3 LYS A 43 11.938 7.785 4.835 1.00 0.00 H new ATOM 0 HD2 LYS A 43 13.575 8.867 3.289 1.00 0.00 H new ATOM 0 HD3 LYS A 43 12.306 9.074 2.100 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.012 10.452 3.727 1.00 0.00 H new ATOM 0 HE3 LYS A 43 12.290 10.253 4.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.483 12.355 3.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 13.822 11.374 3.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.583 11.567 2.254 1.00 0.00 H new ATOM 319 N CYS A 44 10.005 7.668 0.596 1.00 0.00 N ATOM 320 CA CYS A 44 8.664 8.169 0.353 1.00 0.00 C ATOM 321 C CYS A 44 8.150 7.746 -1.019 1.00 0.00 C ATOM 322 O CYS A 44 7.238 8.366 -1.566 1.00 0.00 O ATOM 323 CB CYS A 44 8.640 9.690 0.485 1.00 0.00 C ATOM 324 SG CYS A 44 9.032 10.284 2.159 1.00 0.00 S ATOM 0 H CYS A 44 10.725 8.083 0.005 1.00 0.00 H new ATOM 0 HA CYS A 44 8.002 7.735 1.102 1.00 0.00 H new ATOM 0 HB2 CYS A 44 9.353 10.118 -0.219 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.653 10.055 0.201 1.00 0.00 H new ATOM 329 N GLN A 45 8.731 6.692 -1.577 1.00 0.00 N ATOM 330 CA GLN A 45 8.243 6.136 -2.831 1.00 0.00 C ATOM 331 C GLN A 45 8.680 4.681 -2.978 1.00 0.00 C ATOM 332 O GLN A 45 9.831 4.338 -2.727 1.00 0.00 O ATOM 333 CB GLN A 45 8.710 6.977 -4.030 1.00 0.00 C ATOM 334 CG GLN A 45 10.216 7.109 -4.158 1.00 0.00 C ATOM 335 CD GLN A 45 10.618 8.057 -5.273 1.00 0.00 C ATOM 336 OE1 GLN A 45 9.902 9.009 -5.578 1.00 0.00 O ATOM 337 NE2 GLN A 45 11.761 7.801 -5.894 1.00 0.00 N ATOM 0 H GLN A 45 9.537 6.207 -1.183 1.00 0.00 H new ATOM 0 HA GLN A 45 7.154 6.165 -2.813 1.00 0.00 H new ATOM 0 HB2 GLN A 45 8.318 6.532 -4.944 1.00 0.00 H new ATOM 0 HB3 GLN A 45 8.276 7.974 -3.949 1.00 0.00 H new ATOM 0 HG2 GLN A 45 10.629 7.466 -3.214 1.00 0.00 H new ATOM 0 HG3 GLN A 45 10.650 6.127 -4.345 1.00 0.00 H new ATOM 0 HE21 GLN A 45 12.327 7.001 -5.611 1.00 0.00 H new ATOM 0 HE22 GLN A 45 12.074 8.404 -6.655 1.00 0.00 H new ATOM 346 N GLY A 46 7.743 3.830 -3.351 1.00 0.00 N ATOM 347 CA GLY A 46 8.039 2.424 -3.528 1.00 0.00 C ATOM 348 C GLY A 46 6.814 1.573 -3.281 1.00 0.00 C ATOM 349 O GLY A 46 5.696 2.093 -3.273 1.00 0.00 O ATOM 0 H GLY A 46 6.774 4.088 -3.536 1.00 0.00 H new ATOM 0 HA2 GLY A 46 8.407 2.252 -4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 46 8.835 2.128 -2.844 1.00 0.00 H new ATOM 353 N GLN A 47 7.014 0.277 -3.077 1.00 0.00 N ATOM 354 CA GLN A 47 5.910 -0.619 -2.760 1.00 0.00 C ATOM 355 C GLN A 47 5.425 -0.348 -1.344 1.00 0.00 C ATOM 356 O GLN A 47 6.223 -0.025 -0.459 1.00 0.00 O ATOM 357 CB GLN A 47 6.314 -2.096 -2.883 1.00 0.00 C ATOM 358 CG GLN A 47 6.709 -2.540 -4.287 1.00 0.00 C ATOM 359 CD GLN A 47 8.112 -2.115 -4.671 1.00 0.00 C ATOM 360 OE1 GLN A 47 8.319 -1.053 -5.253 1.00 0.00 O ATOM 361 NE2 GLN A 47 9.088 -2.941 -4.334 1.00 0.00 N ATOM 0 H GLN A 47 7.927 -0.175 -3.125 1.00 0.00 H new ATOM 0 HA GLN A 47 5.113 -0.428 -3.479 1.00 0.00 H new ATOM 0 HB2 GLN A 47 7.150 -2.286 -2.209 1.00 0.00 H new ATOM 0 HB3 GLN A 47 5.483 -2.714 -2.543 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.633 -3.625 -4.353 1.00 0.00 H new ATOM 0 HG3 GLN A 47 6.001 -2.127 -5.005 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.874 -3.814 -3.851 1.00 0.00 H new ATOM 0 HE22 GLN A 47 10.055 -2.706 -4.557 1.00 0.00 H new ATOM 370 N LEU A 48 4.126 -0.464 -1.136 1.00 0.00 N ATOM 371 CA LEU A 48 3.545 -0.229 0.174 1.00 0.00 C ATOM 372 C LEU A 48 3.550 -1.511 0.996 1.00 0.00 C ATOM 373 O LEU A 48 2.854 -2.477 0.671 1.00 0.00 O ATOM 374 CB LEU A 48 2.117 0.308 0.038 1.00 0.00 C ATOM 375 CG LEU A 48 1.426 0.687 1.355 1.00 0.00 C ATOM 376 CD1 LEU A 48 2.156 1.828 2.045 1.00 0.00 C ATOM 377 CD2 LEU A 48 -0.023 1.071 1.099 1.00 0.00 C ATOM 0 H LEU A 48 3.452 -0.720 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 48 4.149 0.517 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 48 2.138 1.186 -0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.511 -0.444 -0.467 1.00 0.00 H new ATOM 0 HG LEU A 48 1.452 -0.182 2.013 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.646 2.077 2.975 1.00 0.00 H new ATOM 0 HD12 LEU A 48 3.180 1.526 2.263 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.166 2.701 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.501 1.337 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.059 1.923 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -0.549 0.228 0.651 1.00 0.00 H new ATOM 389 N GLU A 49 4.351 -1.519 2.046 1.00 0.00 N ATOM 390 CA GLU A 49 4.394 -2.636 2.971 1.00 0.00 C ATOM 391 C GLU A 49 3.825 -2.208 4.316 1.00 0.00 C ATOM 392 O GLU A 49 4.275 -1.226 4.908 1.00 0.00 O ATOM 393 CB GLU A 49 5.825 -3.158 3.135 1.00 0.00 C ATOM 394 CG GLU A 49 6.370 -3.863 1.902 1.00 0.00 C ATOM 395 CD GLU A 49 7.832 -4.239 2.046 1.00 0.00 C ATOM 396 OE1 GLU A 49 8.355 -4.185 3.179 1.00 0.00 O ATOM 397 OE2 GLU A 49 8.468 -4.593 1.028 1.00 0.00 O ATOM 0 H GLU A 49 4.986 -0.756 2.280 1.00 0.00 H new ATOM 0 HA GLU A 49 3.788 -3.447 2.567 1.00 0.00 H new ATOM 0 HB2 GLU A 49 6.480 -2.322 3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 49 5.855 -3.848 3.979 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.784 -4.762 1.713 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.249 -3.215 1.034 1.00 0.00 H new ATOM 404 N VAL A 50 2.830 -2.935 4.786 1.00 0.00 N ATOM 405 CA VAL A 50 2.145 -2.581 6.021 1.00 0.00 C ATOM 406 C VAL A 50 2.425 -3.611 7.107 1.00 0.00 C ATOM 407 O VAL A 50 2.749 -4.763 6.811 1.00 0.00 O ATOM 408 CB VAL A 50 0.618 -2.455 5.810 1.00 0.00 C ATOM 409 CG1 VAL A 50 0.309 -1.367 4.791 1.00 0.00 C ATOM 410 CG2 VAL A 50 0.009 -3.781 5.377 1.00 0.00 C ATOM 0 H VAL A 50 2.475 -3.777 4.333 1.00 0.00 H new ATOM 0 HA VAL A 50 2.530 -1.611 6.335 1.00 0.00 H new ATOM 0 HB VAL A 50 0.170 -2.177 6.764 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.770 -1.292 4.655 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.697 -0.413 5.148 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.778 -1.616 3.839 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.065 -3.660 5.237 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.463 -4.101 4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.192 -4.533 6.144 1.00 0.00 H new ATOM 420 N TYR A 51 2.321 -3.188 8.359 1.00 0.00 N ATOM 421 CA TYR A 51 2.570 -4.073 9.485 1.00 0.00 C ATOM 422 C TYR A 51 1.262 -4.680 9.977 1.00 0.00 C ATOM 423 O TYR A 51 0.387 -3.972 10.475 1.00 0.00 O ATOM 424 CB TYR A 51 3.267 -3.318 10.625 1.00 0.00 C ATOM 425 CG TYR A 51 3.630 -4.200 11.804 1.00 0.00 C ATOM 426 CD1 TYR A 51 4.753 -5.021 11.767 1.00 0.00 C ATOM 427 CD2 TYR A 51 2.849 -4.213 12.955 1.00 0.00 C ATOM 428 CE1 TYR A 51 5.084 -5.826 12.841 1.00 0.00 C ATOM 429 CE2 TYR A 51 3.176 -5.013 14.031 1.00 0.00 C ATOM 430 CZ TYR A 51 4.292 -5.817 13.970 1.00 0.00 C ATOM 431 OH TYR A 51 4.618 -6.616 15.041 1.00 0.00 O ATOM 0 H TYR A 51 2.065 -2.236 8.619 1.00 0.00 H new ATOM 0 HA TYR A 51 3.228 -4.876 9.152 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.173 -2.850 10.239 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.615 -2.515 10.970 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.376 -5.029 10.885 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.971 -3.586 13.008 1.00 0.00 H new ATOM 0 HE1 TYR A 51 5.958 -6.459 12.796 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.559 -5.008 14.917 1.00 0.00 H new ATOM 0 HH TYR A 51 3.959 -6.490 15.755 1.00 0.00 H new ATOM 441 N LEU A 52 1.137 -5.989 9.825 1.00 0.00 N ATOM 442 CA LEU A 52 -0.043 -6.704 10.285 1.00 0.00 C ATOM 443 C LEU A 52 0.299 -7.547 11.508 1.00 0.00 C ATOM 444 O LEU A 52 1.438 -7.517 11.981 1.00 0.00 O ATOM 445 CB LEU A 52 -0.597 -7.609 9.177 1.00 0.00 C ATOM 446 CG LEU A 52 -0.997 -6.909 7.879 1.00 0.00 C ATOM 447 CD1 LEU A 52 -1.473 -7.933 6.863 1.00 0.00 C ATOM 448 CD2 LEU A 52 -2.082 -5.875 8.133 1.00 0.00 C ATOM 0 H LEU A 52 1.842 -6.580 9.384 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.803 -5.970 10.551 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.153 -8.364 8.943 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.469 -8.135 9.567 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.123 -6.393 7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.756 -7.426 5.941 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.670 -8.641 6.656 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.335 -8.468 7.262 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -2.350 -5.390 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -2.961 -6.365 8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -1.714 -5.127 8.835 1.00 0.00 H new ATOM 460 N LYS A 53 -0.673 -8.303 12.004 1.00 0.00 N ATOM 461 CA LYS A 53 -0.460 -9.201 13.139 1.00 0.00 C ATOM 462 C LYS A 53 0.676 -10.185 12.851 1.00 0.00 C ATOM 463 O LYS A 53 1.446 -10.547 13.743 1.00 0.00 O ATOM 464 CB LYS A 53 -1.756 -9.962 13.441 1.00 0.00 C ATOM 465 CG LYS A 53 -1.629 -11.014 14.528 1.00 0.00 C ATOM 466 CD LYS A 53 -2.930 -11.780 14.695 1.00 0.00 C ATOM 467 CE LYS A 53 -2.787 -12.907 15.700 1.00 0.00 C ATOM 468 NZ LYS A 53 -4.054 -13.669 15.862 1.00 0.00 N ATOM 0 H LYS A 53 -1.624 -8.314 11.637 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.178 -8.606 14.008 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -2.523 -9.246 13.734 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.102 -10.443 12.526 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.824 -11.706 14.278 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.359 -10.538 15.471 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -3.716 -11.098 15.021 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.240 -12.187 13.732 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.995 -13.583 15.377 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.484 -12.498 16.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.915 -14.430 16.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -4.804 -13.029 16.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -4.331 -14.081 14.948 1.00 0.00 H new ATOM 481 N ASP A 54 0.786 -10.591 11.593 1.00 0.00 N ATOM 482 CA ASP A 54 1.784 -11.573 11.186 1.00 0.00 C ATOM 483 C ASP A 54 2.998 -10.915 10.531 1.00 0.00 C ATOM 484 O ASP A 54 3.698 -11.548 9.734 1.00 0.00 O ATOM 485 CB ASP A 54 1.175 -12.605 10.231 1.00 0.00 C ATOM 486 CG ASP A 54 0.192 -13.526 10.922 1.00 0.00 C ATOM 487 OD1 ASP A 54 0.641 -14.442 11.642 1.00 0.00 O ATOM 488 OD2 ASP A 54 -1.031 -13.351 10.737 1.00 0.00 O ATOM 0 H ASP A 54 0.194 -10.254 10.834 1.00 0.00 H new ATOM 0 HA ASP A 54 2.121 -12.078 12.092 1.00 0.00 H new ATOM 0 HB2 ASP A 54 0.671 -12.087 9.415 1.00 0.00 H new ATOM 0 HB3 ASP A 54 1.973 -13.199 9.786 1.00 0.00 H new ATOM 493 N GLY A 55 3.242 -9.653 10.858 1.00 0.00 N ATOM 494 CA GLY A 55 4.440 -8.987 10.380 1.00 0.00 C ATOM 495 C GLY A 55 4.189 -8.088 9.187 1.00 0.00 C ATOM 496 O GLY A 55 3.042 -7.760 8.873 1.00 0.00 O ATOM 0 H GLY A 55 2.635 -9.079 11.443 1.00 0.00 H new ATOM 0 HA2 GLY A 55 4.866 -8.394 11.190 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.182 -9.738 10.110 1.00 0.00 H new ATOM 500 N TRP A 56 5.267 -7.692 8.520 1.00 0.00 N ATOM 501 CA TRP A 56 5.176 -6.807 7.365 1.00 0.00 C ATOM 502 C TRP A 56 4.666 -7.558 6.145 1.00 0.00 C ATOM 503 O TRP A 56 5.113 -8.668 5.852 1.00 0.00 O ATOM 504 CB TRP A 56 6.538 -6.180 7.057 1.00 0.00 C ATOM 505 CG TRP A 56 7.027 -5.255 8.130 1.00 0.00 C ATOM 506 CD1 TRP A 56 7.898 -5.555 9.135 1.00 0.00 C ATOM 507 CD2 TRP A 56 6.670 -3.879 8.305 1.00 0.00 C ATOM 508 NE1 TRP A 56 8.109 -4.451 9.920 1.00 0.00 N ATOM 509 CE2 TRP A 56 7.364 -3.410 9.434 1.00 0.00 C ATOM 510 CE3 TRP A 56 5.832 -2.998 7.618 1.00 0.00 C ATOM 511 CZ2 TRP A 56 7.245 -2.102 9.891 1.00 0.00 C ATOM 512 CZ3 TRP A 56 5.712 -1.701 8.073 1.00 0.00 C ATOM 513 CH2 TRP A 56 6.416 -1.262 9.200 1.00 0.00 C ATOM 0 H TRP A 56 6.218 -7.971 8.761 1.00 0.00 H new ATOM 0 HA TRP A 56 4.468 -6.014 7.607 1.00 0.00 H new ATOM 0 HB2 TRP A 56 7.270 -6.974 6.912 1.00 0.00 H new ATOM 0 HB3 TRP A 56 6.472 -5.631 6.117 1.00 0.00 H new ATOM 0 HD1 TRP A 56 8.355 -6.521 9.290 1.00 0.00 H new ATOM 0 HE1 TRP A 56 8.722 -4.411 10.734 1.00 0.00 H new ATOM 0 HE3 TRP A 56 5.287 -3.326 6.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 7.788 -1.762 10.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.064 -1.013 7.551 1.00 0.00 H new ATOM 0 HH2 TRP A 56 6.302 -0.240 9.530 1.00 0.00 H new ATOM 524 N HIS A 57 3.726 -6.951 5.438 1.00 0.00 N ATOM 525 CA HIS A 57 3.140 -7.569 4.260 1.00 0.00 C ATOM 526 C HIS A 57 3.017 -6.563 3.126 1.00 0.00 C ATOM 527 O HIS A 57 2.830 -5.370 3.361 1.00 0.00 O ATOM 528 CB HIS A 57 1.770 -8.164 4.592 1.00 0.00 C ATOM 529 CG HIS A 57 1.842 -9.501 5.266 1.00 0.00 C ATOM 530 ND1 HIS A 57 1.934 -10.684 4.565 1.00 0.00 N ATOM 531 CD2 HIS A 57 1.831 -9.844 6.578 1.00 0.00 C ATOM 532 CE1 HIS A 57 1.976 -11.695 5.410 1.00 0.00 C ATOM 533 NE2 HIS A 57 1.914 -11.214 6.639 1.00 0.00 N ATOM 0 H HIS A 57 3.352 -6.029 5.661 1.00 0.00 H new ATOM 0 HA HIS A 57 3.800 -8.373 3.935 1.00 0.00 H new ATOM 0 HB2 HIS A 57 1.229 -7.471 5.236 1.00 0.00 H new ATOM 0 HB3 HIS A 57 1.193 -8.261 3.672 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.965 -10.765 3.549 1.00 0.00 H new ATOM 0 HD2 HIS A 57 1.769 -9.167 7.417 1.00 0.00 H new ATOM 0 HE1 HIS A 57 2.049 -12.739 5.143 1.00 0.00 H new ATOM 541 N MET A 58 3.116 -7.061 1.902 1.00 0.00 N ATOM 542 CA MET A 58 3.072 -6.216 0.712 1.00 0.00 C ATOM 543 C MET A 58 1.636 -5.998 0.272 1.00 0.00 C ATOM 544 O MET A 58 0.877 -6.956 0.138 1.00 0.00 O ATOM 545 CB MET A 58 3.842 -6.869 -0.439 1.00 0.00 C ATOM 546 CG MET A 58 5.324 -7.075 -0.176 1.00 0.00 C ATOM 547 SD MET A 58 6.118 -8.008 -1.497 1.00 0.00 S ATOM 548 CE MET A 58 5.669 -7.008 -2.913 1.00 0.00 C ATOM 0 H MET A 58 3.228 -8.055 1.704 1.00 0.00 H new ATOM 0 HA MET A 58 3.531 -5.260 0.964 1.00 0.00 H new ATOM 0 HB2 MET A 58 3.388 -7.835 -0.659 1.00 0.00 H new ATOM 0 HB3 MET A 58 3.727 -6.252 -1.331 1.00 0.00 H new ATOM 0 HG2 MET A 58 5.812 -6.106 -0.072 1.00 0.00 H new ATOM 0 HG3 MET A 58 5.455 -7.601 0.770 1.00 0.00 H new ATOM 0 HE1 MET A 58 5.121 -7.619 -3.631 1.00 0.00 H new ATOM 0 HE2 MET A 58 5.041 -6.179 -2.588 1.00 0.00 H new ATOM 0 HE3 MET A 58 6.571 -6.617 -3.383 1.00 0.00 H new ATOM 558 N VAL A 59 1.265 -4.752 0.036 1.00 0.00 N ATOM 559 CA VAL A 59 -0.081 -4.446 -0.422 1.00 0.00 C ATOM 560 C VAL A 59 -0.199 -4.682 -1.925 1.00 0.00 C ATOM 561 O VAL A 59 0.585 -4.150 -2.717 1.00 0.00 O ATOM 562 CB VAL A 59 -0.483 -2.991 -0.094 1.00 0.00 C ATOM 563 CG1 VAL A 59 -1.887 -2.689 -0.598 1.00 0.00 C ATOM 564 CG2 VAL A 59 -0.398 -2.739 1.404 1.00 0.00 C ATOM 0 H VAL A 59 1.871 -3.940 0.152 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.761 -5.113 0.107 1.00 0.00 H new ATOM 0 HB VAL A 59 0.215 -2.326 -0.602 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -2.147 -1.659 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.923 -2.827 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -2.598 -3.364 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.685 -1.709 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.072 -3.418 1.926 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.624 -2.909 1.744 1.00 0.00 H new ATOM 574 N CYS A 60 -1.165 -5.498 -2.311 1.00 0.00 N ATOM 575 CA CYS A 60 -1.412 -5.776 -3.715 1.00 0.00 C ATOM 576 C CYS A 60 -2.440 -4.782 -4.251 1.00 0.00 C ATOM 577 O CYS A 60 -3.400 -4.451 -3.557 1.00 0.00 O ATOM 578 CB CYS A 60 -1.918 -7.212 -3.875 1.00 0.00 C ATOM 579 SG CYS A 60 -1.788 -7.870 -5.567 1.00 0.00 S ATOM 0 H CYS A 60 -1.793 -5.981 -1.669 1.00 0.00 H new ATOM 0 HA CYS A 60 -0.487 -5.670 -4.282 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -1.356 -7.860 -3.202 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -2.961 -7.254 -3.561 1.00 0.00 H new ATOM 584 N SER A 61 -2.245 -4.306 -5.478 1.00 0.00 N ATOM 585 CA SER A 61 -3.113 -3.276 -6.043 1.00 0.00 C ATOM 586 C SER A 61 -4.477 -3.839 -6.438 1.00 0.00 C ATOM 587 O SER A 61 -5.334 -3.116 -6.936 1.00 0.00 O ATOM 588 CB SER A 61 -2.441 -2.619 -7.252 1.00 0.00 C ATOM 589 OG SER A 61 -2.192 -3.560 -8.279 1.00 0.00 O ATOM 0 H SER A 61 -1.497 -4.615 -6.098 1.00 0.00 H new ATOM 0 HA SER A 61 -3.277 -2.524 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.077 -1.821 -7.634 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.503 -2.159 -6.943 1.00 0.00 H new ATOM 0 HG SER A 61 -2.229 -3.112 -9.150 1.00 0.00 H new ATOM 595 N GLN A 62 -4.677 -5.129 -6.209 1.00 0.00 N ATOM 596 CA GLN A 62 -5.965 -5.754 -6.471 1.00 0.00 C ATOM 597 C GLN A 62 -6.860 -5.644 -5.241 1.00 0.00 C ATOM 598 O GLN A 62 -7.919 -6.270 -5.167 1.00 0.00 O ATOM 599 CB GLN A 62 -5.783 -7.223 -6.867 1.00 0.00 C ATOM 600 CG GLN A 62 -4.794 -7.444 -8.006 1.00 0.00 C ATOM 601 CD GLN A 62 -5.183 -6.747 -9.299 1.00 0.00 C ATOM 602 OE1 GLN A 62 -5.815 -5.695 -9.295 1.00 0.00 O ATOM 603 NE2 GLN A 62 -4.803 -7.333 -10.420 1.00 0.00 N ATOM 0 H GLN A 62 -3.966 -5.762 -5.843 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.441 -5.232 -7.302 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.447 -7.784 -5.995 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.751 -7.633 -7.156 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.811 -7.091 -7.695 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.703 -8.514 -8.194 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.279 -8.207 -10.386 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.034 -6.911 -11.320 1.00 0.00 H new ATOM 612 N SER A 63 -6.419 -4.841 -4.281 1.00 0.00 N ATOM 613 CA SER A 63 -7.163 -4.617 -3.056 1.00 0.00 C ATOM 614 C SER A 63 -8.241 -3.570 -3.277 1.00 0.00 C ATOM 615 O SER A 63 -7.979 -2.532 -3.890 1.00 0.00 O ATOM 616 CB SER A 63 -6.218 -4.154 -1.946 1.00 0.00 C ATOM 617 OG SER A 63 -5.217 -5.125 -1.694 1.00 0.00 O ATOM 0 H SER A 63 -5.538 -4.330 -4.333 1.00 0.00 H new ATOM 0 HA SER A 63 -7.634 -5.554 -2.760 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.751 -3.211 -2.230 1.00 0.00 H new ATOM 0 HB3 SER A 63 -6.786 -3.967 -1.035 1.00 0.00 H new ATOM 0 HG SER A 63 -4.381 -4.853 -2.127 1.00 0.00 H new ATOM 623 N TRP A 64 -9.444 -3.860 -2.774 1.00 0.00 N ATOM 624 CA TRP A 64 -10.609 -2.967 -2.865 1.00 0.00 C ATOM 625 C TRP A 64 -11.132 -2.888 -4.299 1.00 0.00 C ATOM 626 O TRP A 64 -12.338 -2.958 -4.542 1.00 0.00 O ATOM 627 CB TRP A 64 -10.277 -1.564 -2.328 1.00 0.00 C ATOM 628 CG TRP A 64 -9.621 -1.585 -0.976 1.00 0.00 C ATOM 629 CD1 TRP A 64 -10.179 -1.993 0.199 1.00 0.00 C ATOM 630 CD2 TRP A 64 -8.280 -1.182 -0.663 1.00 0.00 C ATOM 631 NE1 TRP A 64 -9.268 -1.871 1.223 1.00 0.00 N ATOM 632 CE2 TRP A 64 -8.095 -1.374 0.719 1.00 0.00 C ATOM 633 CE3 TRP A 64 -7.221 -0.678 -1.420 1.00 0.00 C ATOM 634 CZ2 TRP A 64 -6.892 -1.081 1.357 1.00 0.00 C ATOM 635 CZ3 TRP A 64 -6.028 -0.387 -0.786 1.00 0.00 C ATOM 636 CH2 TRP A 64 -5.872 -0.587 0.588 1.00 0.00 C ATOM 0 H TRP A 64 -9.642 -4.733 -2.285 1.00 0.00 H new ATOM 0 HA TRP A 64 -11.397 -3.389 -2.241 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -9.620 -1.058 -3.035 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -11.194 -0.978 -2.270 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -11.189 -2.359 0.310 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -9.438 -2.112 2.199 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -7.332 -0.518 -2.482 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -6.768 -1.238 2.418 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -5.202 0.002 -1.363 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -4.927 -0.347 1.053 1.00 0.00 H new ATOM 647 N GLY A 65 -10.219 -2.745 -5.235 1.00 0.00 N ATOM 648 CA GLY A 65 -10.546 -2.764 -6.634 1.00 0.00 C ATOM 649 C GLY A 65 -9.343 -3.194 -7.437 1.00 0.00 C ATOM 650 O GLY A 65 -8.223 -3.169 -6.927 1.00 0.00 O ATOM 0 H GLY A 65 -9.227 -2.612 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -11.377 -3.447 -6.813 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -10.873 -1.774 -6.954 1.00 0.00 H new ATOM 654 N ARG A 66 -9.553 -3.597 -8.679 1.00 0.00 N ATOM 655 CA ARG A 66 -8.448 -4.032 -9.521 1.00 0.00 C ATOM 656 C ARG A 66 -7.715 -2.826 -10.084 1.00 0.00 C ATOM 657 O ARG A 66 -8.027 -2.336 -11.173 1.00 0.00 O ATOM 658 CB ARG A 66 -8.932 -4.953 -10.646 1.00 0.00 C ATOM 659 CG ARG A 66 -8.992 -6.422 -10.247 1.00 0.00 C ATOM 660 CD ARG A 66 -9.819 -6.635 -8.987 1.00 0.00 C ATOM 661 NE ARG A 66 -9.869 -8.038 -8.582 1.00 0.00 N ATOM 662 CZ ARG A 66 -10.027 -8.436 -7.323 1.00 0.00 C ATOM 663 NH1 ARG A 66 -10.154 -7.540 -6.353 1.00 0.00 N ATOM 664 NH2 ARG A 66 -10.091 -9.726 -7.032 1.00 0.00 N ATOM 0 H ARG A 66 -10.470 -3.633 -9.125 1.00 0.00 H new ATOM 0 HA ARG A 66 -7.755 -4.606 -8.906 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -9.923 -4.631 -10.967 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.268 -4.845 -11.504 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.419 -7.003 -11.064 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -7.981 -6.796 -10.085 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -9.399 -6.041 -8.176 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.833 -6.272 -9.156 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.778 -8.752 -9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.131 -6.544 -6.572 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.275 -7.847 -5.388 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -10.019 -10.421 -7.775 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.212 -10.025 -6.064 1.00 0.00 H new ATOM 677 N SER A 67 -6.744 -2.348 -9.325 1.00 0.00 N ATOM 678 CA SER A 67 -6.010 -1.154 -9.684 1.00 0.00 C ATOM 679 C SER A 67 -4.941 -1.466 -10.724 1.00 0.00 C ATOM 680 O SER A 67 -3.743 -1.454 -10.435 1.00 0.00 O ATOM 681 CB SER A 67 -5.379 -0.527 -8.442 1.00 0.00 C ATOM 682 OG SER A 67 -6.335 -0.402 -7.400 1.00 0.00 O ATOM 0 H SER A 67 -6.446 -2.776 -8.448 1.00 0.00 H new ATOM 0 HA SER A 67 -6.709 -0.441 -10.120 1.00 0.00 H new ATOM 0 HB2 SER A 67 -4.544 -1.140 -8.104 1.00 0.00 H new ATOM 0 HB3 SER A 67 -4.974 0.454 -8.690 1.00 0.00 H new ATOM 0 HG SER A 67 -6.358 -1.230 -6.876 1.00 0.00 H new ATOM 688 N SER A 68 -5.391 -1.784 -11.927 1.00 0.00 N ATOM 689 CA SER A 68 -4.504 -1.923 -13.067 1.00 0.00 C ATOM 690 C SER A 68 -4.251 -0.550 -13.675 1.00 0.00 C ATOM 691 O SER A 68 -3.371 -0.365 -14.517 1.00 0.00 O ATOM 692 CB SER A 68 -5.123 -2.871 -14.094 1.00 0.00 C ATOM 693 OG SER A 68 -6.515 -2.627 -14.238 1.00 0.00 O ATOM 0 H SER A 68 -6.375 -1.952 -12.139 1.00 0.00 H new ATOM 0 HA SER A 68 -3.552 -2.346 -12.747 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.627 -2.745 -15.056 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.961 -3.904 -13.785 1.00 0.00 H new ATOM 0 HG SER A 68 -6.888 -3.244 -14.901 1.00 0.00 H new ATOM 699 N LYS A 69 -5.041 0.406 -13.213 1.00 0.00 N ATOM 700 CA LYS A 69 -4.925 1.795 -13.618 1.00 0.00 C ATOM 701 C LYS A 69 -4.697 2.653 -12.379 1.00 0.00 C ATOM 702 O LYS A 69 -4.971 2.218 -11.257 1.00 0.00 O ATOM 703 CB LYS A 69 -6.201 2.241 -14.341 1.00 0.00 C ATOM 704 CG LYS A 69 -6.521 1.410 -15.574 1.00 0.00 C ATOM 705 CD LYS A 69 -7.870 1.780 -16.166 1.00 0.00 C ATOM 706 CE LYS A 69 -8.176 0.949 -17.401 1.00 0.00 C ATOM 707 NZ LYS A 69 -8.121 -0.511 -17.119 1.00 0.00 N ATOM 0 H LYS A 69 -5.788 0.236 -12.539 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.084 1.909 -14.302 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.040 2.186 -13.648 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.097 3.286 -14.634 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.743 1.556 -16.323 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.517 0.352 -15.311 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -8.651 1.629 -15.421 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -7.878 2.839 -16.426 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -9.166 1.209 -17.776 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.463 1.193 -18.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -8.575 -1.032 -17.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.129 -0.811 -17.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -8.621 -0.712 -16.229 1.00 0.00 H new ATOM 720 N GLN A 70 -4.197 3.861 -12.575 1.00 0.00 N ATOM 721 CA GLN A 70 -3.906 4.755 -11.466 1.00 0.00 C ATOM 722 C GLN A 70 -5.155 5.531 -11.061 1.00 0.00 C ATOM 723 O GLN A 70 -5.910 6.004 -11.914 1.00 0.00 O ATOM 724 CB GLN A 70 -2.761 5.725 -11.818 1.00 0.00 C ATOM 725 CG GLN A 70 -3.051 6.675 -12.980 1.00 0.00 C ATOM 726 CD GLN A 70 -3.088 5.975 -14.326 1.00 0.00 C ATOM 727 OE1 GLN A 70 -4.144 5.536 -14.787 1.00 0.00 O ATOM 728 NE2 GLN A 70 -1.936 5.849 -14.956 1.00 0.00 N ATOM 0 H GLN A 70 -3.983 4.247 -13.495 1.00 0.00 H new ATOM 0 HA GLN A 70 -3.584 4.146 -10.621 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -2.523 6.318 -10.935 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.872 5.142 -12.059 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.007 7.169 -12.808 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -2.289 7.454 -13.003 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -1.084 6.226 -14.541 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.897 5.374 -15.858 1.00 0.00 H new ATOM 737 N TRP A 71 -5.380 5.646 -9.760 1.00 0.00 N ATOM 738 CA TRP A 71 -6.529 6.380 -9.252 1.00 0.00 C ATOM 739 C TRP A 71 -6.188 7.858 -9.138 1.00 0.00 C ATOM 740 O TRP A 71 -5.104 8.216 -8.678 1.00 0.00 O ATOM 741 CB TRP A 71 -6.965 5.837 -7.890 1.00 0.00 C ATOM 742 CG TRP A 71 -7.365 4.395 -7.927 1.00 0.00 C ATOM 743 CD1 TRP A 71 -6.604 3.326 -7.554 1.00 0.00 C ATOM 744 CD2 TRP A 71 -8.623 3.861 -8.358 1.00 0.00 C ATOM 745 NE1 TRP A 71 -7.309 2.161 -7.728 1.00 0.00 N ATOM 746 CE2 TRP A 71 -8.551 2.462 -8.220 1.00 0.00 C ATOM 747 CE3 TRP A 71 -9.804 4.429 -8.847 1.00 0.00 C ATOM 748 CZ2 TRP A 71 -9.612 1.625 -8.551 1.00 0.00 C ATOM 749 CZ3 TRP A 71 -10.857 3.595 -9.176 1.00 0.00 C ATOM 750 CH2 TRP A 71 -10.753 2.207 -9.028 1.00 0.00 C ATOM 0 H TRP A 71 -4.783 5.241 -9.039 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.356 6.253 -9.951 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -6.149 5.962 -7.179 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -7.802 6.430 -7.522 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -5.594 3.387 -7.177 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -6.964 1.223 -7.524 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -9.892 5.499 -8.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.537 0.554 -8.435 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -11.775 4.022 -9.553 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -11.592 1.583 -9.296 1.00 0.00 H new ATOM 761 N GLU A 72 -7.112 8.715 -9.549 1.00 0.00 N ATOM 762 CA GLU A 72 -6.864 10.152 -9.550 1.00 0.00 C ATOM 763 C GLU A 72 -7.232 10.769 -8.199 1.00 0.00 C ATOM 764 O GLU A 72 -7.495 11.968 -8.086 1.00 0.00 O ATOM 765 CB GLU A 72 -7.642 10.816 -10.688 1.00 0.00 C ATOM 766 CG GLU A 72 -7.068 12.154 -11.118 1.00 0.00 C ATOM 767 CD GLU A 72 -7.590 12.600 -12.461 1.00 0.00 C ATOM 768 OE1 GLU A 72 -8.632 13.288 -12.506 1.00 0.00 O ATOM 769 OE2 GLU A 72 -6.964 12.257 -13.485 1.00 0.00 O ATOM 0 H GLU A 72 -8.036 8.443 -9.885 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.800 10.324 -9.712 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.658 10.144 -11.546 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.676 10.958 -10.375 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -7.310 12.908 -10.369 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -5.981 12.083 -11.159 1.00 0.00 H new ATOM 776 N ASP A 73 -7.235 9.934 -7.175 1.00 0.00 N ATOM 777 CA ASP A 73 -7.446 10.381 -5.805 1.00 0.00 C ATOM 778 C ASP A 73 -6.365 9.755 -4.925 1.00 0.00 C ATOM 779 O ASP A 73 -6.636 8.857 -4.131 1.00 0.00 O ATOM 780 CB ASP A 73 -8.842 9.971 -5.311 1.00 0.00 C ATOM 781 CG ASP A 73 -9.281 10.730 -4.069 1.00 0.00 C ATOM 782 OD1 ASP A 73 -8.428 11.046 -3.214 1.00 0.00 O ATOM 783 OD2 ASP A 73 -10.489 11.029 -3.946 1.00 0.00 O ATOM 0 H ASP A 73 -7.092 8.928 -7.267 1.00 0.00 H new ATOM 0 HA ASP A 73 -7.384 11.468 -5.757 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -9.567 10.139 -6.108 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -8.846 8.902 -5.097 1.00 0.00 H new ATOM 788 N PRO A 74 -5.108 10.206 -5.079 1.00 0.00 N ATOM 789 CA PRO A 74 -3.968 9.579 -4.420 1.00 0.00 C ATOM 790 C PRO A 74 -3.761 10.065 -2.990 1.00 0.00 C ATOM 791 O PRO A 74 -3.071 9.419 -2.202 1.00 0.00 O ATOM 792 CB PRO A 74 -2.801 9.997 -5.312 1.00 0.00 C ATOM 793 CG PRO A 74 -3.185 11.341 -5.828 1.00 0.00 C ATOM 794 CD PRO A 74 -4.695 11.361 -5.905 1.00 0.00 C ATOM 0 HA PRO A 74 -4.093 8.501 -4.317 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.868 10.040 -4.750 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -2.650 9.288 -6.126 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -2.821 12.128 -5.168 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -2.745 11.519 -6.809 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -5.103 12.295 -5.518 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -5.044 11.262 -6.933 1.00 0.00 H new ATOM 802 N SER A 75 -4.392 11.182 -2.649 1.00 0.00 N ATOM 803 CA SER A 75 -4.205 11.796 -1.342 1.00 0.00 C ATOM 804 C SER A 75 -5.013 11.074 -0.264 1.00 0.00 C ATOM 805 O SER A 75 -5.330 11.640 0.778 1.00 0.00 O ATOM 806 CB SER A 75 -4.594 13.271 -1.397 1.00 0.00 C ATOM 807 OG SER A 75 -3.942 13.925 -2.474 1.00 0.00 O ATOM 0 H SER A 75 -5.038 11.681 -3.261 1.00 0.00 H new ATOM 0 HA SER A 75 -3.151 11.712 -1.078 1.00 0.00 H new ATOM 0 HB2 SER A 75 -5.674 13.363 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.330 13.757 -0.458 1.00 0.00 H new ATOM 0 HG SER A 75 -3.361 14.632 -2.124 1.00 0.00 H new ATOM 813 N GLN A 76 -5.343 9.817 -0.518 1.00 0.00 N ATOM 814 CA GLN A 76 -6.017 8.995 0.473 1.00 0.00 C ATOM 815 C GLN A 76 -5.014 8.510 1.511 1.00 0.00 C ATOM 816 O GLN A 76 -5.374 8.191 2.640 1.00 0.00 O ATOM 817 CB GLN A 76 -6.702 7.805 -0.202 1.00 0.00 C ATOM 818 CG GLN A 76 -7.819 8.212 -1.148 1.00 0.00 C ATOM 819 CD GLN A 76 -9.006 8.815 -0.420 1.00 0.00 C ATOM 820 OE1 GLN A 76 -9.318 8.432 0.709 1.00 0.00 O ATOM 821 NE2 GLN A 76 -9.660 9.776 -1.048 1.00 0.00 N ATOM 0 H GLN A 76 -5.155 9.345 -1.402 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.779 9.594 0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -5.958 7.232 -0.755 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -7.107 7.145 0.565 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -7.435 8.933 -1.870 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -8.148 7.340 -1.713 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -9.370 10.064 -1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -10.455 10.230 -0.598 1.00 0.00 H new ATOM 830 N ALA A 77 -3.744 8.500 1.131 1.00 0.00 N ATOM 831 CA ALA A 77 -2.687 8.006 2.001 1.00 0.00 C ATOM 832 C ALA A 77 -1.748 9.131 2.433 1.00 0.00 C ATOM 833 O ALA A 77 -0.543 8.919 2.592 1.00 0.00 O ATOM 834 CB ALA A 77 -1.909 6.908 1.293 1.00 0.00 C ATOM 0 H ALA A 77 -3.420 8.830 0.222 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.148 7.598 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -1.119 6.541 1.948 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.582 6.088 1.043 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.467 7.306 0.380 1.00 0.00 H new ATOM 840 N SER A 78 -2.303 10.322 2.631 1.00 0.00 N ATOM 841 CA SER A 78 -1.508 11.488 3.015 1.00 0.00 C ATOM 842 C SER A 78 -0.777 11.259 4.342 1.00 0.00 C ATOM 843 O SER A 78 0.390 11.635 4.486 1.00 0.00 O ATOM 844 CB SER A 78 -2.403 12.729 3.101 1.00 0.00 C ATOM 845 OG SER A 78 -3.021 12.999 1.851 1.00 0.00 O ATOM 0 H SER A 78 -3.301 10.508 2.532 1.00 0.00 H new ATOM 0 HA SER A 78 -0.751 11.647 2.247 1.00 0.00 H new ATOM 0 HB2 SER A 78 -3.167 12.578 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 78 -1.809 13.589 3.410 1.00 0.00 H new ATOM 0 HG SER A 78 -2.730 13.876 1.525 1.00 0.00 H new ATOM 851 N LYS A 79 -1.449 10.622 5.301 1.00 0.00 N ATOM 852 CA LYS A 79 -0.844 10.347 6.602 1.00 0.00 C ATOM 853 C LYS A 79 0.368 9.430 6.481 1.00 0.00 C ATOM 854 O LYS A 79 1.299 9.528 7.275 1.00 0.00 O ATOM 855 CB LYS A 79 -1.868 9.752 7.569 1.00 0.00 C ATOM 856 CG LYS A 79 -2.876 10.770 8.070 1.00 0.00 C ATOM 857 CD LYS A 79 -2.184 11.917 8.791 1.00 0.00 C ATOM 858 CE LYS A 79 -3.136 13.069 9.064 1.00 0.00 C ATOM 859 NZ LYS A 79 -3.623 13.701 7.806 1.00 0.00 N ATOM 0 H LYS A 79 -2.408 10.289 5.201 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.501 11.301 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.398 8.939 7.073 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.345 9.318 8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -3.452 11.159 7.231 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -3.582 10.286 8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.770 11.557 9.733 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.347 12.272 8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -3.987 12.707 9.641 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.633 13.818 9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -4.009 14.643 8.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -2.833 13.793 7.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -4.367 13.108 7.385 1.00 0.00 H new ATOM 872 N VAL A 80 0.372 8.558 5.477 1.00 0.00 N ATOM 873 CA VAL A 80 1.523 7.693 5.239 1.00 0.00 C ATOM 874 C VAL A 80 2.733 8.546 4.884 1.00 0.00 C ATOM 875 O VAL A 80 3.794 8.425 5.494 1.00 0.00 O ATOM 876 CB VAL A 80 1.262 6.665 4.112 1.00 0.00 C ATOM 877 CG1 VAL A 80 2.516 5.847 3.825 1.00 0.00 C ATOM 878 CG2 VAL A 80 0.105 5.748 4.481 1.00 0.00 C ATOM 0 H VAL A 80 -0.400 8.432 4.822 1.00 0.00 H new ATOM 0 HA VAL A 80 1.710 7.132 6.155 1.00 0.00 H new ATOM 0 HB VAL A 80 0.995 7.213 3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 80 2.309 5.131 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 80 3.321 6.513 3.514 1.00 0.00 H new ATOM 0 HG13 VAL A 80 2.815 5.312 4.726 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -0.063 5.032 3.676 1.00 0.00 H new ATOM 0 HG22 VAL A 80 0.344 5.212 5.399 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.796 6.342 4.632 1.00 0.00 H new ATOM 888 N CYS A 81 2.545 9.444 3.926 1.00 0.00 N ATOM 889 CA CYS A 81 3.594 10.372 3.525 1.00 0.00 C ATOM 890 C CYS A 81 4.010 11.253 4.697 1.00 0.00 C ATOM 891 O CYS A 81 5.182 11.594 4.844 1.00 0.00 O ATOM 892 CB CYS A 81 3.110 11.233 2.360 1.00 0.00 C ATOM 893 SG CYS A 81 2.610 10.269 0.898 1.00 0.00 S ATOM 0 H CYS A 81 1.671 9.550 3.410 1.00 0.00 H new ATOM 0 HA CYS A 81 4.463 9.798 3.205 1.00 0.00 H new ATOM 0 HB2 CYS A 81 2.266 11.837 2.692 1.00 0.00 H new ATOM 0 HB3 CYS A 81 3.904 11.923 2.075 1.00 0.00 H new ATOM 898 N GLN A 82 3.045 11.601 5.538 1.00 0.00 N ATOM 899 CA GLN A 82 3.310 12.407 6.721 1.00 0.00 C ATOM 900 C GLN A 82 4.190 11.642 7.710 1.00 0.00 C ATOM 901 O GLN A 82 5.055 12.228 8.363 1.00 0.00 O ATOM 902 CB GLN A 82 1.987 12.828 7.374 1.00 0.00 C ATOM 903 CG GLN A 82 2.137 13.683 8.629 1.00 0.00 C ATOM 904 CD GLN A 82 1.913 12.897 9.909 1.00 0.00 C ATOM 905 OE1 GLN A 82 0.787 12.784 10.391 1.00 0.00 O ATOM 906 NE2 GLN A 82 2.979 12.360 10.481 1.00 0.00 N ATOM 0 H GLN A 82 2.067 11.336 5.421 1.00 0.00 H new ATOM 0 HA GLN A 82 3.850 13.305 6.422 1.00 0.00 H new ATOM 0 HB2 GLN A 82 1.397 13.381 6.643 1.00 0.00 H new ATOM 0 HB3 GLN A 82 1.422 11.931 7.628 1.00 0.00 H new ATOM 0 HG2 GLN A 82 3.135 14.121 8.647 1.00 0.00 H new ATOM 0 HG3 GLN A 82 1.427 14.509 8.587 1.00 0.00 H new ATOM 0 HE21 GLN A 82 3.898 12.473 10.054 1.00 0.00 H new ATOM 0 HE22 GLN A 82 2.881 11.833 11.349 1.00 0.00 H new ATOM 915 N ARG A 83 3.976 10.332 7.814 1.00 0.00 N ATOM 916 CA ARG A 83 4.782 9.499 8.704 1.00 0.00 C ATOM 917 C ARG A 83 6.220 9.417 8.206 1.00 0.00 C ATOM 918 O ARG A 83 7.157 9.389 9.003 1.00 0.00 O ATOM 919 CB ARG A 83 4.199 8.087 8.834 1.00 0.00 C ATOM 920 CG ARG A 83 2.825 8.026 9.485 1.00 0.00 C ATOM 921 CD ARG A 83 2.816 8.648 10.874 1.00 0.00 C ATOM 922 NE ARG A 83 3.828 8.066 11.755 1.00 0.00 N ATOM 923 CZ ARG A 83 3.746 8.082 13.082 1.00 0.00 C ATOM 924 NH1 ARG A 83 2.704 8.646 13.675 1.00 0.00 N ATOM 925 NH2 ARG A 83 4.710 7.557 13.821 1.00 0.00 N ATOM 0 H ARG A 83 3.256 9.827 7.297 1.00 0.00 H new ATOM 0 HA ARG A 83 4.768 9.967 9.688 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.136 7.641 7.841 1.00 0.00 H new ATOM 0 HB3 ARG A 83 4.889 7.475 9.415 1.00 0.00 H new ATOM 0 HG2 ARG A 83 2.103 8.543 8.853 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.503 6.987 9.553 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.987 9.721 10.789 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.831 8.516 11.321 1.00 0.00 H new ATOM 0 HE ARG A 83 4.642 7.623 11.328 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.964 9.068 13.113 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.641 8.658 14.693 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.524 7.136 13.373 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.639 7.574 14.838 1.00 0.00 H new ATOM 938 N LEU A 84 6.389 9.403 6.887 1.00 0.00 N ATOM 939 CA LEU A 84 7.723 9.372 6.292 1.00 0.00 C ATOM 940 C LEU A 84 8.293 10.787 6.173 1.00 0.00 C ATOM 941 O LEU A 84 9.416 10.986 5.709 1.00 0.00 O ATOM 942 CB LEU A 84 7.704 8.692 4.913 1.00 0.00 C ATOM 943 CG LEU A 84 7.633 7.151 4.903 1.00 0.00 C ATOM 944 CD1 LEU A 84 8.773 6.541 5.707 1.00 0.00 C ATOM 945 CD2 LEU A 84 6.295 6.647 5.424 1.00 0.00 C ATOM 0 H LEU A 84 5.624 9.413 6.212 1.00 0.00 H new ATOM 0 HA LEU A 84 8.365 8.787 6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.849 9.076 4.356 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.600 8.995 4.371 1.00 0.00 H new ATOM 0 HG LEU A 84 7.733 6.835 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.696 5.454 5.681 1.00 0.00 H new ATOM 0 HD12 LEU A 84 9.726 6.847 5.277 1.00 0.00 H new ATOM 0 HD13 LEU A 84 8.714 6.884 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 84 6.283 5.557 5.402 1.00 0.00 H new ATOM 0 HD22 LEU A 84 6.151 6.991 6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 84 5.492 7.032 4.796 1.00 0.00 H new ATOM 957 N ASN A 85 7.490 11.754 6.611 1.00 0.00 N ATOM 958 CA ASN A 85 7.852 13.172 6.616 1.00 0.00 C ATOM 959 C ASN A 85 8.118 13.695 5.205 1.00 0.00 C ATOM 960 O ASN A 85 9.154 14.302 4.933 1.00 0.00 O ATOM 961 CB ASN A 85 9.055 13.441 7.526 1.00 0.00 C ATOM 962 CG ASN A 85 9.235 14.924 7.804 1.00 0.00 C ATOM 963 OD1 ASN A 85 8.265 15.686 7.834 1.00 0.00 O ATOM 964 ND2 ASN A 85 10.475 15.344 7.996 1.00 0.00 N ATOM 0 H ASN A 85 6.556 11.573 6.978 1.00 0.00 H new ATOM 0 HA ASN A 85 6.996 13.715 7.016 1.00 0.00 H new ATOM 0 HB2 ASN A 85 8.924 12.908 8.468 1.00 0.00 H new ATOM 0 HB3 ASN A 85 9.958 13.047 7.060 1.00 0.00 H new ATOM 0 HD21 ASN A 85 10.657 16.331 8.177 1.00 0.00 H new ATOM 0 HD22 ASN A 85 11.249 14.681 7.963 1.00 0.00 H new ATOM 971 N CYS A 86 7.171 13.460 4.316 1.00 0.00 N ATOM 972 CA CYS A 86 7.228 14.002 2.971 1.00 0.00 C ATOM 973 C CYS A 86 5.937 14.744 2.659 1.00 0.00 C ATOM 974 O CYS A 86 5.047 14.825 3.511 1.00 0.00 O ATOM 975 CB CYS A 86 7.484 12.891 1.947 1.00 0.00 C ATOM 976 SG CYS A 86 9.205 12.290 1.931 1.00 0.00 S ATOM 0 H CYS A 86 6.345 12.892 4.504 1.00 0.00 H new ATOM 0 HA CYS A 86 8.058 14.706 2.909 1.00 0.00 H new ATOM 0 HB2 CYS A 86 6.818 12.054 2.158 1.00 0.00 H new ATOM 0 HB3 CYS A 86 7.228 13.259 0.953 1.00 0.00 H new ATOM 981 N GLY A 87 5.836 15.290 1.457 1.00 0.00 N ATOM 982 CA GLY A 87 4.655 16.028 1.070 1.00 0.00 C ATOM 983 C GLY A 87 3.490 15.123 0.722 1.00 0.00 C ATOM 984 O GLY A 87 3.551 13.909 0.926 1.00 0.00 O ATOM 0 H GLY A 87 6.558 15.234 0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 87 4.364 16.693 1.883 1.00 0.00 H new ATOM 0 HA3 GLY A 87 4.890 16.658 0.212 1.00 0.00 H new ATOM 988 N ASP A 88 2.442 15.715 0.172 1.00 0.00 N ATOM 989 CA ASP A 88 1.208 14.992 -0.126 1.00 0.00 C ATOM 990 C ASP A 88 1.438 14.011 -1.279 1.00 0.00 C ATOM 991 O ASP A 88 2.257 14.268 -2.167 1.00 0.00 O ATOM 992 CB ASP A 88 0.097 15.991 -0.479 1.00 0.00 C ATOM 993 CG ASP A 88 -1.298 15.391 -0.411 1.00 0.00 C ATOM 994 OD1 ASP A 88 -1.745 15.022 0.701 1.00 0.00 O ATOM 995 OD2 ASP A 88 -1.969 15.311 -1.461 1.00 0.00 O ATOM 0 H ASP A 88 2.418 16.703 -0.080 1.00 0.00 H new ATOM 0 HA ASP A 88 0.902 14.423 0.752 1.00 0.00 H new ATOM 0 HB2 ASP A 88 0.153 16.841 0.202 1.00 0.00 H new ATOM 0 HB3 ASP A 88 0.270 16.376 -1.484 1.00 0.00 H new ATOM 1000 N PRO A 89 0.753 12.853 -1.242 1.00 0.00 N ATOM 1001 CA PRO A 89 0.840 11.822 -2.280 1.00 0.00 C ATOM 1002 C PRO A 89 0.709 12.384 -3.693 1.00 0.00 C ATOM 1003 O PRO A 89 -0.266 13.062 -4.025 1.00 0.00 O ATOM 1004 CB PRO A 89 -0.343 10.906 -1.979 1.00 0.00 C ATOM 1005 CG PRO A 89 -0.623 11.077 -0.529 1.00 0.00 C ATOM 1006 CD PRO A 89 -0.155 12.459 -0.153 1.00 0.00 C ATOM 0 HA PRO A 89 1.810 11.325 -2.259 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -1.211 11.177 -2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -0.104 9.868 -2.212 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -1.687 10.961 -0.325 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -0.102 10.320 0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -0.993 13.151 -0.065 1.00 0.00 H new ATOM 0 HD3 PRO A 89 0.358 12.456 0.809 1.00 0.00 H new ATOM 1014 N LEU A 90 1.696 12.086 -4.518 1.00 0.00 N ATOM 1015 CA LEU A 90 1.720 12.542 -5.898 1.00 0.00 C ATOM 1016 C LEU A 90 0.998 11.526 -6.782 1.00 0.00 C ATOM 1017 O LEU A 90 0.176 11.885 -7.626 1.00 0.00 O ATOM 1018 CB LEU A 90 3.176 12.716 -6.355 1.00 0.00 C ATOM 1019 CG LEU A 90 3.433 13.829 -7.381 1.00 0.00 C ATOM 1020 CD1 LEU A 90 4.928 14.046 -7.570 1.00 0.00 C ATOM 1021 CD2 LEU A 90 2.787 13.496 -8.714 1.00 0.00 C ATOM 0 H LEU A 90 2.503 11.522 -4.252 1.00 0.00 H new ATOM 0 HA LEU A 90 1.211 13.502 -5.979 1.00 0.00 H new ATOM 0 HB2 LEU A 90 3.791 12.911 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 90 3.517 11.772 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 90 2.987 14.747 -6.999 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.091 14.838 -8.301 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.377 14.331 -6.619 1.00 0.00 H new ATOM 0 HD13 LEU A 90 5.387 13.124 -7.926 1.00 0.00 H new ATOM 0 HD21 LEU A 90 2.983 14.299 -9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 90 3.202 12.564 -9.097 1.00 0.00 H new ATOM 0 HD23 LEU A 90 1.711 13.385 -8.579 1.00 0.00 H new ATOM 1033 N SER A 91 1.297 10.251 -6.559 1.00 0.00 N ATOM 1034 CA SER A 91 0.725 9.175 -7.353 1.00 0.00 C ATOM 1035 C SER A 91 0.498 7.934 -6.494 1.00 0.00 C ATOM 1036 O SER A 91 1.222 7.704 -5.521 1.00 0.00 O ATOM 1037 CB SER A 91 1.650 8.834 -8.526 1.00 0.00 C ATOM 1038 OG SER A 91 1.884 9.968 -9.347 1.00 0.00 O ATOM 0 H SER A 91 1.937 9.938 -5.829 1.00 0.00 H new ATOM 0 HA SER A 91 -0.236 9.510 -7.742 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.599 8.456 -8.145 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.206 8.037 -9.122 1.00 0.00 H new ATOM 0 HG SER A 91 2.479 9.720 -10.086 1.00 0.00 H new ATOM 1044 N LEU A 92 -0.508 7.146 -6.857 1.00 0.00 N ATOM 1045 CA LEU A 92 -0.822 5.910 -6.150 1.00 0.00 C ATOM 1046 C LEU A 92 -1.390 4.891 -7.134 1.00 0.00 C ATOM 1047 O LEU A 92 -2.233 5.227 -7.969 1.00 0.00 O ATOM 1048 CB LEU A 92 -1.823 6.184 -5.012 1.00 0.00 C ATOM 1049 CG LEU A 92 -2.141 4.995 -4.086 1.00 0.00 C ATOM 1050 CD1 LEU A 92 -2.491 5.494 -2.693 1.00 0.00 C ATOM 1051 CD2 LEU A 92 -3.297 4.162 -4.634 1.00 0.00 C ATOM 0 H LEU A 92 -1.125 7.344 -7.645 1.00 0.00 H new ATOM 0 HA LEU A 92 0.089 5.506 -5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.434 6.999 -4.402 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.756 6.534 -5.453 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.253 4.365 -4.036 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.714 4.644 -2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.648 6.050 -2.283 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.363 6.146 -2.748 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.498 3.330 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.187 4.785 -4.717 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.032 3.775 -5.618 1.00 0.00 H new ATOM 1063 N GLY A 93 -0.917 3.656 -7.046 1.00 0.00 N ATOM 1064 CA GLY A 93 -1.400 2.611 -7.930 1.00 0.00 C ATOM 1065 C GLY A 93 -0.388 1.493 -8.090 1.00 0.00 C ATOM 1066 O GLY A 93 0.426 1.272 -7.195 1.00 0.00 O ATOM 0 H GLY A 93 -0.207 3.357 -6.378 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.331 2.204 -7.536 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -1.627 3.038 -8.907 1.00 0.00 H new ATOM 1070 N PRO A 94 -0.416 0.760 -9.215 1.00 0.00 N ATOM 1071 CA PRO A 94 0.546 -0.315 -9.469 1.00 0.00 C ATOM 1072 C PRO A 94 1.954 0.237 -9.699 1.00 0.00 C ATOM 1073 O PRO A 94 2.231 0.869 -10.723 1.00 0.00 O ATOM 1074 CB PRO A 94 0.008 -0.994 -10.733 1.00 0.00 C ATOM 1075 CG PRO A 94 -0.810 0.048 -11.415 1.00 0.00 C ATOM 1076 CD PRO A 94 -1.378 0.919 -10.325 1.00 0.00 C ATOM 0 HA PRO A 94 0.638 -1.000 -8.626 1.00 0.00 H new ATOM 0 HB2 PRO A 94 0.821 -1.338 -11.372 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -0.594 -1.868 -10.485 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -0.199 0.634 -12.102 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -1.606 -0.407 -12.004 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -1.455 1.959 -10.642 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -2.379 0.598 -10.037 1.00 0.00 H new ATOM 1084 N PHE A 95 2.836 -0.001 -8.740 1.00 0.00 N ATOM 1085 CA PHE A 95 4.171 0.578 -8.773 1.00 0.00 C ATOM 1086 C PHE A 95 5.163 -0.383 -9.413 1.00 0.00 C ATOM 1087 O PHE A 95 5.863 -0.028 -10.366 1.00 0.00 O ATOM 1088 CB PHE A 95 4.627 0.934 -7.355 1.00 0.00 C ATOM 1089 CG PHE A 95 5.837 1.827 -7.303 1.00 0.00 C ATOM 1090 CD1 PHE A 95 5.695 3.206 -7.340 1.00 0.00 C ATOM 1091 CD2 PHE A 95 7.112 1.292 -7.212 1.00 0.00 C ATOM 1092 CE1 PHE A 95 6.801 4.032 -7.286 1.00 0.00 C ATOM 1093 CE2 PHE A 95 8.221 2.113 -7.157 1.00 0.00 C ATOM 1094 CZ PHE A 95 8.066 3.487 -7.196 1.00 0.00 C ATOM 0 H PHE A 95 2.652 -0.591 -7.929 1.00 0.00 H new ATOM 0 HA PHE A 95 4.134 1.486 -9.375 1.00 0.00 H new ATOM 0 HB2 PHE A 95 3.805 1.424 -6.833 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.845 0.013 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.708 3.639 -7.412 1.00 0.00 H new ATOM 0 HD2 PHE A 95 7.240 0.220 -7.184 1.00 0.00 H new ATOM 0 HE1 PHE A 95 6.676 5.104 -7.314 1.00 0.00 H new ATOM 0 HE2 PHE A 95 9.209 1.683 -7.084 1.00 0.00 H new ATOM 0 HZ PHE A 95 8.932 4.131 -7.156 1.00 0.00 H new ATOM 1104 N LEU A 96 5.206 -1.600 -8.895 1.00 0.00 N ATOM 1105 CA LEU A 96 6.165 -2.592 -9.352 1.00 0.00 C ATOM 1106 C LEU A 96 5.532 -3.983 -9.312 1.00 0.00 C ATOM 1107 O LEU A 96 4.357 -4.125 -8.972 1.00 0.00 O ATOM 1108 CB LEU A 96 7.423 -2.537 -8.469 1.00 0.00 C ATOM 1109 CG LEU A 96 8.642 -3.316 -8.984 1.00 0.00 C ATOM 1110 CD1 LEU A 96 9.172 -2.716 -10.280 1.00 0.00 C ATOM 1111 CD2 LEU A 96 9.739 -3.350 -7.928 1.00 0.00 C ATOM 0 H LEU A 96 4.585 -1.925 -8.154 1.00 0.00 H new ATOM 0 HA LEU A 96 6.453 -2.376 -10.381 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.710 -1.493 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 96 7.165 -2.917 -7.480 1.00 0.00 H new ATOM 0 HG LEU A 96 8.323 -4.338 -9.191 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.035 -3.289 -10.620 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.392 -2.748 -11.041 1.00 0.00 H new ATOM 0 HD13 LEU A 96 9.469 -1.681 -10.107 1.00 0.00 H new ATOM 0 HD21 LEU A 96 10.595 -3.906 -8.310 1.00 0.00 H new ATOM 0 HD22 LEU A 96 10.045 -2.332 -7.689 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.363 -3.837 -7.028 1.00 0.00 H new ATOM 1123 N LYS A 97 6.298 -4.997 -9.677 1.00 0.00 N ATOM 1124 CA LYS A 97 5.823 -6.372 -9.653 1.00 0.00 C ATOM 1125 C LYS A 97 6.864 -7.269 -8.993 1.00 0.00 C ATOM 1126 O LYS A 97 7.712 -7.848 -9.669 1.00 0.00 O ATOM 1127 CB LYS A 97 5.542 -6.872 -11.072 1.00 0.00 C ATOM 1128 CG LYS A 97 4.487 -6.076 -11.825 1.00 0.00 C ATOM 1129 CD LYS A 97 4.318 -6.599 -13.241 1.00 0.00 C ATOM 1130 CE LYS A 97 3.372 -5.731 -14.054 1.00 0.00 C ATOM 1131 NZ LYS A 97 3.250 -6.216 -15.451 1.00 0.00 N ATOM 0 H LYS A 97 7.261 -4.893 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 97 4.896 -6.406 -9.080 1.00 0.00 H new ATOM 0 HB2 LYS A 97 6.471 -6.850 -11.642 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.225 -7.913 -11.020 1.00 0.00 H new ATOM 0 HG2 LYS A 97 3.536 -6.135 -11.296 1.00 0.00 H new ATOM 0 HG3 LYS A 97 4.772 -5.024 -11.854 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.290 -6.637 -13.733 1.00 0.00 H new ATOM 0 HD3 LYS A 97 3.937 -7.620 -13.208 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.389 -5.724 -13.584 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.732 -4.702 -14.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.597 -5.600 -15.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.184 -6.199 -15.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 2.883 -7.189 -15.450 1.00 0.00 H new ATOM 1144 N THR A 98 6.809 -7.366 -7.677 1.00 0.00 N ATOM 1145 CA THR A 98 7.773 -8.166 -6.936 1.00 0.00 C ATOM 1146 C THR A 98 7.387 -9.651 -6.942 1.00 0.00 C ATOM 1147 O THR A 98 8.261 -10.516 -6.857 1.00 0.00 O ATOM 1148 CB THR A 98 7.885 -7.653 -5.489 1.00 0.00 C ATOM 1149 OG1 THR A 98 8.012 -6.224 -5.496 1.00 0.00 O ATOM 1150 CG2 THR A 98 9.085 -8.257 -4.780 1.00 0.00 C ATOM 0 H THR A 98 6.109 -6.902 -7.098 1.00 0.00 H new ATOM 0 HA THR A 98 8.741 -8.068 -7.427 1.00 0.00 H new ATOM 0 HB THR A 98 6.983 -7.950 -4.954 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.225 -5.910 -4.592 1.00 0.00 H new ATOM 0 HG21 THR A 98 9.136 -7.875 -3.761 1.00 0.00 H new ATOM 0 HG22 THR A 98 8.985 -9.342 -4.756 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.996 -7.988 -5.314 1.00 0.00 H new ATOM 1158 N TYR A 99 6.091 -9.937 -7.081 1.00 0.00 N ATOM 1159 CA TYR A 99 5.591 -11.320 -7.131 1.00 0.00 C ATOM 1160 C TYR A 99 6.080 -12.146 -5.938 1.00 0.00 C ATOM 1161 O TYR A 99 6.873 -13.080 -6.099 1.00 0.00 O ATOM 1162 CB TYR A 99 6.016 -12.015 -8.432 1.00 0.00 C ATOM 1163 CG TYR A 99 5.325 -11.501 -9.678 1.00 0.00 C ATOM 1164 CD1 TYR A 99 4.030 -11.900 -9.990 1.00 0.00 C ATOM 1165 CD2 TYR A 99 5.972 -10.636 -10.554 1.00 0.00 C ATOM 1166 CE1 TYR A 99 3.399 -11.450 -11.132 1.00 0.00 C ATOM 1167 CE2 TYR A 99 5.346 -10.181 -11.698 1.00 0.00 C ATOM 1168 CZ TYR A 99 4.061 -10.591 -11.983 1.00 0.00 C ATOM 1169 OH TYR A 99 3.438 -10.138 -13.126 1.00 0.00 O ATOM 0 H TYR A 99 5.362 -9.228 -7.162 1.00 0.00 H new ATOM 0 HA TYR A 99 4.503 -11.259 -7.091 1.00 0.00 H new ATOM 0 HB2 TYR A 99 7.093 -11.898 -8.556 1.00 0.00 H new ATOM 0 HB3 TYR A 99 5.820 -13.083 -8.338 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.509 -12.574 -9.327 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.980 -10.315 -10.336 1.00 0.00 H new ATOM 0 HE1 TYR A 99 2.392 -11.769 -11.358 1.00 0.00 H new ATOM 0 HE2 TYR A 99 5.861 -9.507 -12.366 1.00 0.00 H new ATOM 0 HH TYR A 99 2.471 -10.094 -12.976 1.00 0.00 H new ATOM 1179 N THR A 100 5.607 -11.802 -4.749 1.00 0.00 N ATOM 1180 CA THR A 100 5.939 -12.554 -3.549 1.00 0.00 C ATOM 1181 C THR A 100 4.655 -13.003 -2.848 1.00 0.00 C ATOM 1182 O THR A 100 4.213 -12.370 -1.887 1.00 0.00 O ATOM 1183 CB THR A 100 6.801 -11.713 -2.581 1.00 0.00 C ATOM 1184 OG1 THR A 100 7.877 -11.095 -3.301 1.00 0.00 O ATOM 1185 CG2 THR A 100 7.371 -12.579 -1.467 1.00 0.00 C ATOM 0 H THR A 100 4.991 -11.005 -4.590 1.00 0.00 H new ATOM 0 HA THR A 100 6.519 -13.428 -3.845 1.00 0.00 H new ATOM 0 HB THR A 100 6.165 -10.947 -2.136 1.00 0.00 H new ATOM 0 HG1 THR A 100 8.420 -10.561 -2.684 1.00 0.00 H new ATOM 0 HG21 THR A 100 7.974 -11.963 -0.800 1.00 0.00 H new ATOM 0 HG22 THR A 100 6.555 -13.032 -0.904 1.00 0.00 H new ATOM 0 HG23 THR A 100 7.994 -13.363 -1.898 1.00 0.00 H new ATOM 1193 N PRO A 101 4.053 -14.111 -3.329 1.00 0.00 N ATOM 1194 CA PRO A 101 2.720 -14.572 -2.893 1.00 0.00 C ATOM 1195 C PRO A 101 2.550 -14.663 -1.377 1.00 0.00 C ATOM 1196 O PRO A 101 1.500 -14.302 -0.844 1.00 0.00 O ATOM 1197 CB PRO A 101 2.604 -15.960 -3.522 1.00 0.00 C ATOM 1198 CG PRO A 101 3.478 -15.902 -4.721 1.00 0.00 C ATOM 1199 CD PRO A 101 4.631 -15.012 -4.345 1.00 0.00 C ATOM 0 HA PRO A 101 1.949 -13.866 -3.200 1.00 0.00 H new ATOM 0 HB2 PRO A 101 2.930 -16.737 -2.831 1.00 0.00 H new ATOM 0 HB3 PRO A 101 1.573 -16.187 -3.793 1.00 0.00 H new ATOM 0 HG2 PRO A 101 3.826 -16.897 -4.999 1.00 0.00 H new ATOM 0 HG3 PRO A 101 2.938 -15.501 -5.579 1.00 0.00 H new ATOM 0 HD2 PRO A 101 5.467 -15.586 -3.944 1.00 0.00 H new ATOM 0 HD3 PRO A 101 5.008 -14.458 -5.205 1.00 0.00 H new ATOM 1207 N GLN A 102 3.575 -15.145 -0.685 1.00 0.00 N ATOM 1208 CA GLN A 102 3.505 -15.301 0.766 1.00 0.00 C ATOM 1209 C GLN A 102 3.363 -13.949 1.461 1.00 0.00 C ATOM 1210 O GLN A 102 2.589 -13.801 2.412 1.00 0.00 O ATOM 1211 CB GLN A 102 4.754 -16.014 1.291 1.00 0.00 C ATOM 1212 CG GLN A 102 4.751 -16.214 2.797 1.00 0.00 C ATOM 1213 CD GLN A 102 6.092 -16.678 3.320 1.00 0.00 C ATOM 1214 OE1 GLN A 102 6.950 -15.864 3.663 1.00 0.00 O ATOM 1215 NE2 GLN A 102 6.283 -17.983 3.389 1.00 0.00 N ATOM 0 H GLN A 102 4.461 -15.434 -1.100 1.00 0.00 H new ATOM 0 HA GLN A 102 2.624 -15.903 0.989 1.00 0.00 H new ATOM 0 HB2 GLN A 102 4.840 -16.985 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.636 -15.438 1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 102 4.478 -15.278 3.284 1.00 0.00 H new ATOM 0 HG3 GLN A 102 3.988 -16.946 3.062 1.00 0.00 H new ATOM 0 HE21 GLN A 102 5.545 -18.623 3.094 1.00 0.00 H new ATOM 0 HE22 GLN A 102 7.168 -18.351 3.737 1.00 0.00 H new ATOM 1224 N SER A 103 4.101 -12.966 0.973 1.00 0.00 N ATOM 1225 CA SER A 103 4.177 -11.671 1.625 1.00 0.00 C ATOM 1226 C SER A 103 3.087 -10.723 1.131 1.00 0.00 C ATOM 1227 O SER A 103 2.649 -9.840 1.870 1.00 0.00 O ATOM 1228 CB SER A 103 5.558 -11.062 1.386 1.00 0.00 C ATOM 1229 OG SER A 103 6.583 -11.955 1.800 1.00 0.00 O ATOM 0 H SER A 103 4.659 -13.042 0.122 1.00 0.00 H new ATOM 0 HA SER A 103 4.019 -11.818 2.693 1.00 0.00 H new ATOM 0 HB2 SER A 103 5.679 -10.828 0.328 1.00 0.00 H new ATOM 0 HB3 SER A 103 5.646 -10.123 1.932 1.00 0.00 H new ATOM 0 HG SER A 103 7.459 -11.546 1.637 1.00 0.00 H new ATOM 1235 N SER A 104 2.649 -10.902 -0.105 1.00 0.00 N ATOM 1236 CA SER A 104 1.643 -10.025 -0.689 1.00 0.00 C ATOM 1237 C SER A 104 0.251 -10.325 -0.130 1.00 0.00 C ATOM 1238 O SER A 104 -0.106 -11.483 0.087 1.00 0.00 O ATOM 1239 CB SER A 104 1.652 -10.163 -2.212 1.00 0.00 C ATOM 1240 OG SER A 104 1.530 -11.522 -2.601 1.00 0.00 O ATOM 0 H SER A 104 2.973 -11.645 -0.724 1.00 0.00 H new ATOM 0 HA SER A 104 1.890 -8.997 -0.423 1.00 0.00 H new ATOM 0 HB2 SER A 104 0.832 -9.584 -2.638 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.577 -9.748 -2.613 1.00 0.00 H new ATOM 0 HG SER A 104 2.388 -11.977 -2.473 1.00 0.00 H new ATOM 1246 N ILE A 105 -0.525 -9.275 0.108 1.00 0.00 N ATOM 1247 CA ILE A 105 -1.874 -9.419 0.640 1.00 0.00 C ATOM 1248 C ILE A 105 -2.874 -8.636 -0.198 1.00 0.00 C ATOM 1249 O ILE A 105 -2.523 -7.643 -0.840 1.00 0.00 O ATOM 1250 CB ILE A 105 -1.981 -8.932 2.104 1.00 0.00 C ATOM 1251 CG1 ILE A 105 -1.496 -7.480 2.217 1.00 0.00 C ATOM 1252 CG2 ILE A 105 -1.204 -9.852 3.039 1.00 0.00 C ATOM 1253 CD1 ILE A 105 -1.761 -6.841 3.560 1.00 0.00 C ATOM 0 H ILE A 105 -0.241 -8.310 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 105 -2.103 -10.484 0.605 1.00 0.00 H new ATOM 0 HB ILE A 105 -3.027 -8.964 2.408 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.425 -7.450 2.018 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -1.981 -6.886 1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -1.294 -9.490 4.063 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -1.609 -10.862 2.975 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.153 -9.863 2.749 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -1.388 -5.817 3.556 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -2.833 -6.836 3.755 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -1.253 -7.409 4.340 1.00 0.00 H new ATOM 1265 N ILE A 106 -4.116 -9.089 -0.190 1.00 0.00 N ATOM 1266 CA ILE A 106 -5.197 -8.371 -0.841 1.00 0.00 C ATOM 1267 C ILE A 106 -6.237 -7.957 0.193 1.00 0.00 C ATOM 1268 O ILE A 106 -6.736 -8.786 0.960 1.00 0.00 O ATOM 1269 CB ILE A 106 -5.859 -9.202 -1.971 1.00 0.00 C ATOM 1270 CG1 ILE A 106 -4.944 -9.239 -3.200 1.00 0.00 C ATOM 1271 CG2 ILE A 106 -7.229 -8.640 -2.340 1.00 0.00 C ATOM 1272 CD1 ILE A 106 -5.555 -9.935 -4.398 1.00 0.00 C ATOM 0 H ILE A 106 -4.401 -9.957 0.264 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.770 -7.483 -1.307 1.00 0.00 H new ATOM 0 HB ILE A 106 -6.005 -10.219 -1.607 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.684 -8.218 -3.479 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.015 -9.743 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -7.668 -9.243 -3.135 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -7.879 -8.663 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -7.120 -7.611 -2.684 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.848 -9.920 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.789 -10.968 -4.139 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -6.469 -9.419 -4.692 1.00 0.00 H new ATOM 1284 N CYS A 107 -6.523 -6.671 0.234 1.00 0.00 N ATOM 1285 CA CYS A 107 -7.505 -6.127 1.156 1.00 0.00 C ATOM 1286 C CYS A 107 -8.836 -5.930 0.449 1.00 0.00 C ATOM 1287 O CYS A 107 -8.877 -5.704 -0.760 1.00 0.00 O ATOM 1288 CB CYS A 107 -7.006 -4.797 1.727 1.00 0.00 C ATOM 1289 SG CYS A 107 -5.415 -4.931 2.606 1.00 0.00 S ATOM 0 H CYS A 107 -6.084 -5.974 -0.368 1.00 0.00 H new ATOM 0 HA CYS A 107 -7.647 -6.831 1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 107 -6.903 -4.078 0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 107 -7.757 -4.400 2.410 1.00 0.00 H new ATOM 1294 N TYR A 108 -9.923 -6.036 1.193 1.00 0.00 N ATOM 1295 CA TYR A 108 -11.249 -5.859 0.630 1.00 0.00 C ATOM 1296 C TYR A 108 -12.200 -5.305 1.677 1.00 0.00 C ATOM 1297 O TYR A 108 -11.872 -5.274 2.864 1.00 0.00 O ATOM 1298 CB TYR A 108 -11.776 -7.181 0.043 1.00 0.00 C ATOM 1299 CG TYR A 108 -11.558 -8.402 0.917 1.00 0.00 C ATOM 1300 CD1 TYR A 108 -12.476 -8.761 1.896 1.00 0.00 C ATOM 1301 CD2 TYR A 108 -10.436 -9.208 0.746 1.00 0.00 C ATOM 1302 CE1 TYR A 108 -12.281 -9.882 2.681 1.00 0.00 C ATOM 1303 CE2 TYR A 108 -10.238 -10.332 1.526 1.00 0.00 C ATOM 1304 CZ TYR A 108 -11.162 -10.665 2.492 1.00 0.00 C ATOM 1305 OH TYR A 108 -10.972 -11.790 3.267 1.00 0.00 O ATOM 0 H TYR A 108 -9.913 -6.244 2.191 1.00 0.00 H new ATOM 0 HA TYR A 108 -11.185 -5.138 -0.185 1.00 0.00 H new ATOM 0 HB2 TYR A 108 -12.844 -7.076 -0.149 1.00 0.00 H new ATOM 0 HB3 TYR A 108 -11.294 -7.351 -0.920 1.00 0.00 H new ATOM 0 HD1 TYR A 108 -13.357 -8.154 2.046 1.00 0.00 H new ATOM 0 HD2 TYR A 108 -9.708 -8.951 -0.009 1.00 0.00 H new ATOM 0 HE1 TYR A 108 -13.003 -10.144 3.440 1.00 0.00 H new ATOM 0 HE2 TYR A 108 -9.362 -10.947 1.379 1.00 0.00 H new ATOM 0 HH TYR A 108 -11.842 -12.160 3.525 1.00 0.00 H new ATOM 1315 N GLY A 109 -13.359 -4.843 1.234 1.00 0.00 N ATOM 1316 CA GLY A 109 -14.337 -4.302 2.151 1.00 0.00 C ATOM 1317 C GLY A 109 -14.356 -2.788 2.162 1.00 0.00 C ATOM 1318 O GLY A 109 -15.199 -2.163 1.517 1.00 0.00 O ATOM 0 H GLY A 109 -13.639 -4.834 0.253 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -15.326 -4.671 1.880 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -14.126 -4.666 3.157 1.00 0.00 H new ATOM 1322 N GLN A 110 -13.433 -2.193 2.897 1.00 0.00 N ATOM 1323 CA GLN A 110 -13.397 -0.746 3.049 1.00 0.00 C ATOM 1324 C GLN A 110 -12.049 -0.191 2.613 1.00 0.00 C ATOM 1325 O GLN A 110 -11.001 -0.644 3.078 1.00 0.00 O ATOM 1326 CB GLN A 110 -13.691 -0.360 4.501 1.00 0.00 C ATOM 1327 CG GLN A 110 -15.091 -0.740 4.961 1.00 0.00 C ATOM 1328 CD GLN A 110 -15.349 -0.388 6.414 1.00 0.00 C ATOM 1329 OE1 GLN A 110 -14.437 -0.391 7.241 1.00 0.00 O ATOM 1330 NE2 GLN A 110 -16.593 -0.071 6.729 1.00 0.00 N ATOM 0 H GLN A 110 -12.697 -2.689 3.399 1.00 0.00 H new ATOM 0 HA GLN A 110 -14.165 -0.313 2.409 1.00 0.00 H new ATOM 0 HB2 GLN A 110 -12.961 -0.842 5.151 1.00 0.00 H new ATOM 0 HB3 GLN A 110 -13.559 0.716 4.616 1.00 0.00 H new ATOM 0 HG2 GLN A 110 -15.824 -0.234 4.334 1.00 0.00 H new ATOM 0 HG3 GLN A 110 -15.236 -1.811 4.820 1.00 0.00 H new ATOM 0 HE21 GLN A 110 -17.319 -0.081 6.013 1.00 0.00 H new ATOM 0 HE22 GLN A 110 -16.827 0.184 7.689 1.00 0.00 H new ATOM 1339 N LEU A 111 -12.095 0.790 1.717 1.00 0.00 N ATOM 1340 CA LEU A 111 -10.895 1.398 1.155 1.00 0.00 C ATOM 1341 C LEU A 111 -10.036 2.021 2.250 1.00 0.00 C ATOM 1342 O LEU A 111 -10.512 2.836 3.042 1.00 0.00 O ATOM 1343 CB LEU A 111 -11.281 2.468 0.123 1.00 0.00 C ATOM 1344 CG LEU A 111 -10.114 3.258 -0.491 1.00 0.00 C ATOM 1345 CD1 LEU A 111 -9.231 2.364 -1.348 1.00 0.00 C ATOM 1346 CD2 LEU A 111 -10.637 4.428 -1.311 1.00 0.00 C ATOM 0 H LEU A 111 -12.965 1.185 1.361 1.00 0.00 H new ATOM 0 HA LEU A 111 -10.315 0.616 0.665 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.832 1.985 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.963 3.174 0.597 1.00 0.00 H new ATOM 0 HG LEU A 111 -9.506 3.645 0.327 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -8.415 2.953 -1.768 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -8.821 1.562 -0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -9.823 1.936 -2.157 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -9.798 4.977 -1.739 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -11.273 4.054 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -11.216 5.092 -0.669 1.00 0.00 H new ATOM 1358 N GLY A 112 -8.779 1.615 2.299 1.00 0.00 N ATOM 1359 CA GLY A 112 -7.856 2.177 3.262 1.00 0.00 C ATOM 1360 C GLY A 112 -7.732 1.338 4.511 1.00 0.00 C ATOM 1361 O GLY A 112 -6.782 1.494 5.272 1.00 0.00 O ATOM 0 H GLY A 112 -8.379 0.904 1.687 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -6.874 2.280 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -8.187 3.179 3.534 1.00 0.00 H new ATOM 1365 N SER A 113 -8.679 0.440 4.724 1.00 0.00 N ATOM 1366 CA SER A 113 -8.665 -0.385 5.916 1.00 0.00 C ATOM 1367 C SER A 113 -7.855 -1.654 5.678 1.00 0.00 C ATOM 1368 O SER A 113 -8.310 -2.581 5.005 1.00 0.00 O ATOM 1369 CB SER A 113 -10.087 -0.738 6.342 1.00 0.00 C ATOM 1370 OG SER A 113 -10.102 -1.323 7.635 1.00 0.00 O ATOM 0 H SER A 113 -9.460 0.266 4.092 1.00 0.00 H new ATOM 0 HA SER A 113 -8.194 0.183 6.718 1.00 0.00 H new ATOM 0 HB2 SER A 113 -10.705 0.160 6.338 1.00 0.00 H new ATOM 0 HB3 SER A 113 -10.525 -1.429 5.622 1.00 0.00 H new ATOM 0 HG SER A 113 -11.025 -1.539 7.886 1.00 0.00 H new ATOM 1376 N PHE A 114 -6.658 -1.684 6.241 1.00 0.00 N ATOM 1377 CA PHE A 114 -5.770 -2.833 6.122 1.00 0.00 C ATOM 1378 C PHE A 114 -6.004 -3.802 7.274 1.00 0.00 C ATOM 1379 O PHE A 114 -5.189 -4.679 7.547 1.00 0.00 O ATOM 1380 CB PHE A 114 -4.305 -2.381 6.107 1.00 0.00 C ATOM 1381 CG PHE A 114 -3.953 -1.511 4.934 1.00 0.00 C ATOM 1382 CD1 PHE A 114 -3.513 -2.072 3.747 1.00 0.00 C ATOM 1383 CD2 PHE A 114 -4.060 -0.132 5.019 1.00 0.00 C ATOM 1384 CE1 PHE A 114 -3.190 -1.273 2.668 1.00 0.00 C ATOM 1385 CE2 PHE A 114 -3.737 0.670 3.943 1.00 0.00 C ATOM 1386 CZ PHE A 114 -3.300 0.099 2.767 1.00 0.00 C ATOM 0 H PHE A 114 -6.274 -0.916 6.792 1.00 0.00 H new ATOM 0 HA PHE A 114 -5.988 -3.341 5.182 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -4.092 -1.838 7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -3.662 -3.261 6.101 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -3.422 -3.145 3.664 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -4.400 0.321 5.939 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -2.851 -1.722 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -3.827 1.743 4.022 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.044 0.724 1.924 1.00 0.00 H new ATOM 1396 N SER A 115 -7.135 -3.636 7.946 1.00 0.00 N ATOM 1397 CA SER A 115 -7.486 -4.487 9.069 1.00 0.00 C ATOM 1398 C SER A 115 -8.387 -5.622 8.593 1.00 0.00 C ATOM 1399 O SER A 115 -8.835 -6.457 9.380 1.00 0.00 O ATOM 1400 CB SER A 115 -8.187 -3.656 10.147 1.00 0.00 C ATOM 1401 OG SER A 115 -8.207 -4.325 11.395 1.00 0.00 O ATOM 0 H SER A 115 -7.825 -2.917 7.730 1.00 0.00 H new ATOM 0 HA SER A 115 -6.581 -4.919 9.497 1.00 0.00 H new ATOM 0 HB2 SER A 115 -7.678 -2.698 10.256 1.00 0.00 H new ATOM 0 HB3 SER A 115 -9.208 -3.441 9.833 1.00 0.00 H new ATOM 0 HG SER A 115 -8.416 -5.272 11.255 1.00 0.00 H new ATOM 1407 N ASN A 116 -8.637 -5.649 7.290 1.00 0.00 N ATOM 1408 CA ASN A 116 -9.500 -6.654 6.692 1.00 0.00 C ATOM 1409 C ASN A 116 -8.891 -7.123 5.375 1.00 0.00 C ATOM 1410 O ASN A 116 -9.392 -6.823 4.286 1.00 0.00 O ATOM 1411 CB ASN A 116 -10.907 -6.080 6.484 1.00 0.00 C ATOM 1412 CG ASN A 116 -11.927 -7.132 6.086 1.00 0.00 C ATOM 1413 OD1 ASN A 116 -12.471 -7.836 6.935 1.00 0.00 O ATOM 1414 ND2 ASN A 116 -12.224 -7.221 4.800 1.00 0.00 N ATOM 0 H ASN A 116 -8.250 -4.980 6.625 1.00 0.00 H new ATOM 0 HA ASN A 116 -9.586 -7.513 7.358 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -11.234 -5.595 7.403 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -10.868 -5.310 5.713 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -12.925 -7.891 4.484 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -11.752 -6.620 4.125 1.00 0.00 H new ATOM 1421 N CYS A 117 -7.786 -7.847 5.487 1.00 0.00 N ATOM 1422 CA CYS A 117 -7.041 -8.299 4.323 1.00 0.00 C ATOM 1423 C CYS A 117 -6.728 -9.787 4.438 1.00 0.00 C ATOM 1424 O CYS A 117 -6.881 -10.382 5.506 1.00 0.00 O ATOM 1425 CB CYS A 117 -5.736 -7.503 4.198 1.00 0.00 C ATOM 1426 SG CYS A 117 -5.934 -5.703 4.408 1.00 0.00 S ATOM 0 H CYS A 117 -7.384 -8.135 6.379 1.00 0.00 H new ATOM 0 HA CYS A 117 -7.650 -8.136 3.434 1.00 0.00 H new ATOM 0 HB2 CYS A 117 -5.028 -7.868 4.942 1.00 0.00 H new ATOM 0 HB3 CYS A 117 -5.298 -7.697 3.219 1.00 0.00 H new ATOM 1431 N SER A 118 -6.309 -10.390 3.336 1.00 0.00 N ATOM 1432 CA SER A 118 -5.944 -11.802 3.322 1.00 0.00 C ATOM 1433 C SER A 118 -4.843 -12.045 2.291 1.00 0.00 C ATOM 1434 O SER A 118 -4.864 -11.455 1.207 1.00 0.00 O ATOM 1435 CB SER A 118 -7.175 -12.654 3.002 1.00 0.00 C ATOM 1436 OG SER A 118 -8.232 -12.367 3.907 1.00 0.00 O ATOM 0 H SER A 118 -6.212 -9.923 2.435 1.00 0.00 H new ATOM 0 HA SER A 118 -5.569 -12.086 4.305 1.00 0.00 H new ATOM 0 HB2 SER A 118 -7.502 -12.461 1.980 1.00 0.00 H new ATOM 0 HB3 SER A 118 -6.917 -13.711 3.060 1.00 0.00 H new ATOM 0 HG SER A 118 -9.059 -12.209 3.405 1.00 0.00 H new ATOM 1442 N HIS A 119 -3.874 -12.897 2.628 1.00 0.00 N ATOM 1443 CA HIS A 119 -2.760 -13.169 1.720 1.00 0.00 C ATOM 1444 C HIS A 119 -3.155 -14.187 0.645 1.00 0.00 C ATOM 1445 O HIS A 119 -2.688 -15.327 0.621 1.00 0.00 O ATOM 1446 CB HIS A 119 -1.481 -13.589 2.485 1.00 0.00 C ATOM 1447 CG HIS A 119 -1.500 -14.943 3.145 1.00 0.00 C ATOM 1448 ND1 HIS A 119 -0.349 -15.671 3.373 1.00 0.00 N ATOM 1449 CD2 HIS A 119 -2.516 -15.693 3.635 1.00 0.00 C ATOM 1450 CE1 HIS A 119 -0.655 -16.806 3.967 1.00 0.00 C ATOM 1451 NE2 HIS A 119 -1.962 -16.847 4.139 1.00 0.00 N ATOM 0 H HIS A 119 -3.837 -13.405 3.512 1.00 0.00 H new ATOM 0 HA HIS A 119 -2.520 -12.238 1.207 1.00 0.00 H new ATOM 0 HB2 HIS A 119 -0.644 -13.562 1.788 1.00 0.00 H new ATOM 0 HB3 HIS A 119 -1.282 -12.840 3.251 1.00 0.00 H new ATOM 0 HD2 HIS A 119 -3.564 -15.434 3.631 1.00 0.00 H new ATOM 0 HE1 HIS A 119 0.045 -17.573 4.263 1.00 0.00 H new ATOM 0 HE2 HIS A 119 -2.479 -17.611 4.575 1.00 0.00 H new ATOM 1459 N SER A 120 -4.034 -13.752 -0.245 1.00 0.00 N ATOM 1460 CA SER A 120 -4.481 -14.576 -1.354 1.00 0.00 C ATOM 1461 C SER A 120 -3.340 -14.766 -2.352 1.00 0.00 C ATOM 1462 O SER A 120 -2.903 -13.816 -3.003 1.00 0.00 O ATOM 1463 CB SER A 120 -5.697 -13.935 -2.032 1.00 0.00 C ATOM 1464 OG SER A 120 -6.190 -14.745 -3.084 1.00 0.00 O ATOM 0 H SER A 120 -4.455 -12.823 -0.218 1.00 0.00 H new ATOM 0 HA SER A 120 -4.778 -15.555 -0.977 1.00 0.00 H new ATOM 0 HB2 SER A 120 -6.484 -13.775 -1.295 1.00 0.00 H new ATOM 0 HB3 SER A 120 -5.423 -12.955 -2.423 1.00 0.00 H new ATOM 0 HG SER A 120 -6.966 -14.310 -3.495 1.00 0.00 H new ATOM 1470 N ARG A 121 -2.862 -15.998 -2.454 1.00 0.00 N ATOM 1471 CA ARG A 121 -1.726 -16.319 -3.303 1.00 0.00 C ATOM 1472 C ARG A 121 -2.163 -16.509 -4.754 1.00 0.00 C ATOM 1473 O ARG A 121 -2.202 -17.629 -5.266 1.00 0.00 O ATOM 1474 CB ARG A 121 -1.042 -17.579 -2.775 1.00 0.00 C ATOM 1475 CG ARG A 121 -0.456 -17.405 -1.383 1.00 0.00 C ATOM 1476 CD ARG A 121 -0.083 -18.737 -0.753 1.00 0.00 C ATOM 1477 NE ARG A 121 0.816 -19.524 -1.593 1.00 0.00 N ATOM 1478 CZ ARG A 121 1.859 -20.200 -1.123 1.00 0.00 C ATOM 1479 NH1 ARG A 121 2.162 -20.141 0.168 1.00 0.00 N ATOM 1480 NH2 ARG A 121 2.594 -20.935 -1.938 1.00 0.00 N ATOM 0 H ARG A 121 -3.249 -16.798 -1.953 1.00 0.00 H new ATOM 0 HA ARG A 121 -1.020 -15.489 -3.280 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -1.763 -18.396 -2.759 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -0.248 -17.868 -3.463 1.00 0.00 H new ATOM 0 HG2 ARG A 121 0.428 -16.770 -1.438 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -1.178 -16.892 -0.747 1.00 0.00 H new ATOM 0 HD2 ARG A 121 0.391 -18.558 0.212 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -0.990 -19.310 -0.561 1.00 0.00 H new ATOM 0 HE ARG A 121 0.633 -19.557 -2.596 1.00 0.00 H new ATOM 0 HH11 ARG A 121 1.594 -19.577 0.800 1.00 0.00 H new ATOM 0 HH12 ARG A 121 2.963 -20.660 0.528 1.00 0.00 H new ATOM 0 HH21 ARG A 121 2.361 -20.984 -2.930 1.00 0.00 H new ATOM 0 HH22 ARG A 121 3.394 -21.453 -1.575 1.00 0.00 H new ATOM 1493 N ASN A 122 -2.503 -15.409 -5.406 1.00 0.00 N ATOM 1494 CA ASN A 122 -2.927 -15.439 -6.800 1.00 0.00 C ATOM 1495 C ASN A 122 -1.794 -14.957 -7.702 1.00 0.00 C ATOM 1496 O ASN A 122 -0.832 -14.350 -7.229 1.00 0.00 O ATOM 1497 CB ASN A 122 -4.176 -14.568 -7.004 1.00 0.00 C ATOM 1498 CG ASN A 122 -3.910 -13.095 -6.760 1.00 0.00 C ATOM 1499 OD1 ASN A 122 -3.549 -12.356 -7.674 1.00 0.00 O ATOM 1500 ND2 ASN A 122 -4.096 -12.658 -5.525 1.00 0.00 N ATOM 0 H ASN A 122 -2.494 -14.478 -4.991 1.00 0.00 H new ATOM 0 HA ASN A 122 -3.177 -16.466 -7.065 1.00 0.00 H new ATOM 0 HB2 ASN A 122 -4.545 -14.703 -8.021 1.00 0.00 H new ATOM 0 HB3 ASN A 122 -4.964 -14.907 -6.331 1.00 0.00 H new ATOM 0 HD21 ASN A 122 -3.939 -11.675 -5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 122 -4.396 -13.304 -4.795 1.00 0.00 H new ATOM 1507 N ASP A 123 -1.903 -15.228 -8.995 1.00 0.00 N ATOM 1508 CA ASP A 123 -0.852 -14.859 -9.936 1.00 0.00 C ATOM 1509 C ASP A 123 -1.289 -13.666 -10.785 1.00 0.00 C ATOM 1510 O ASP A 123 -0.865 -13.502 -11.929 1.00 0.00 O ATOM 1511 CB ASP A 123 -0.497 -16.054 -10.823 1.00 0.00 C ATOM 1512 CG ASP A 123 0.816 -15.867 -11.557 1.00 0.00 C ATOM 1513 OD1 ASP A 123 1.863 -15.767 -10.884 1.00 0.00 O ATOM 1514 OD2 ASP A 123 0.808 -15.826 -12.808 1.00 0.00 O ATOM 0 H ASP A 123 -2.704 -15.699 -9.416 1.00 0.00 H new ATOM 0 HA ASP A 123 0.036 -14.569 -9.374 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -0.441 -16.953 -10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -1.295 -16.213 -11.548 1.00 0.00 H new ATOM 1519 N MET A 124 -2.151 -12.837 -10.217 1.00 0.00 N ATOM 1520 CA MET A 124 -2.601 -11.616 -10.875 1.00 0.00 C ATOM 1521 C MET A 124 -2.285 -10.428 -9.982 1.00 0.00 C ATOM 1522 O MET A 124 -2.929 -9.379 -10.057 1.00 0.00 O ATOM 1523 CB MET A 124 -4.109 -11.657 -11.149 1.00 0.00 C ATOM 1524 CG MET A 124 -4.560 -12.814 -12.025 1.00 0.00 C ATOM 1525 SD MET A 124 -6.331 -12.758 -12.369 1.00 0.00 S ATOM 1526 CE MET A 124 -6.553 -14.289 -13.272 1.00 0.00 C ATOM 0 H MET A 124 -2.557 -12.988 -9.294 1.00 0.00 H new ATOM 0 HA MET A 124 -2.083 -11.525 -11.830 1.00 0.00 H new ATOM 0 HB2 MET A 124 -4.637 -11.712 -10.197 1.00 0.00 H new ATOM 0 HB3 MET A 124 -4.405 -10.722 -11.624 1.00 0.00 H new ATOM 0 HG2 MET A 124 -4.008 -12.793 -12.965 1.00 0.00 H new ATOM 0 HG3 MET A 124 -4.317 -13.756 -11.534 1.00 0.00 H new ATOM 0 HE1 MET A 124 -7.600 -14.396 -13.554 1.00 0.00 H new ATOM 0 HE2 MET A 124 -5.935 -14.275 -14.170 1.00 0.00 H new ATOM 0 HE3 MET A 124 -6.259 -15.129 -12.642 1.00 0.00 H new ATOM 1536 N CYS A 125 -1.286 -10.603 -9.134 1.00 0.00 N ATOM 1537 CA CYS A 125 -0.991 -9.625 -8.106 1.00 0.00 C ATOM 1538 C CYS A 125 0.032 -8.602 -8.580 1.00 0.00 C ATOM 1539 O CYS A 125 1.156 -8.941 -8.955 1.00 0.00 O ATOM 1540 CB CYS A 125 -0.494 -10.313 -6.833 1.00 0.00 C ATOM 1541 SG CYS A 125 -0.230 -9.169 -5.440 1.00 0.00 S ATOM 0 H CYS A 125 -0.667 -11.414 -9.139 1.00 0.00 H new ATOM 0 HA CYS A 125 -1.918 -9.096 -7.885 1.00 0.00 H new ATOM 0 HB2 CYS A 125 -1.216 -11.073 -6.536 1.00 0.00 H new ATOM 0 HB3 CYS A 125 0.441 -10.829 -7.051 1.00 0.00 H new ATOM 1546 N HIS A 126 -0.374 -7.345 -8.564 1.00 0.00 N ATOM 1547 CA HIS A 126 0.513 -6.241 -8.884 1.00 0.00 C ATOM 1548 C HIS A 126 0.839 -5.499 -7.595 1.00 0.00 C ATOM 1549 O HIS A 126 -0.043 -5.272 -6.770 1.00 0.00 O ATOM 1550 CB HIS A 126 -0.147 -5.297 -9.897 1.00 0.00 C ATOM 1551 CG HIS A 126 -0.596 -5.980 -11.156 1.00 0.00 C ATOM 1552 ND1 HIS A 126 0.113 -6.466 -12.203 1.00 0.00 N flip ATOM 1553 CD2 HIS A 126 -1.924 -6.226 -11.450 1.00 0.00 C flip ATOM 1554 CE1 HIS A 126 -0.787 -6.990 -13.096 1.00 0.00 C flip ATOM 1555 NE2 HIS A 126 -2.010 -6.833 -12.618 1.00 0.00 N flip ATOM 0 H HIS A 126 -1.325 -7.061 -8.329 1.00 0.00 H new ATOM 0 HA HIS A 126 1.430 -6.621 -9.335 1.00 0.00 H new ATOM 0 HB2 HIS A 126 -1.007 -4.818 -9.428 1.00 0.00 H new ATOM 0 HB3 HIS A 126 0.557 -4.506 -10.155 1.00 0.00 H new ATOM 0 HD2 HIS A 126 -2.761 -5.962 -10.821 1.00 0.00 H new ATOM 0 HE1 HIS A 126 -0.537 -7.456 -14.038 1.00 0.00 H new ATOM 0 HE2 HIS A 126 -2.872 -7.130 -13.074 1.00 0.00 H new ATOM 1563 N SER A 127 2.097 -5.141 -7.400 1.00 0.00 N ATOM 1564 CA SER A 127 2.514 -4.525 -6.151 1.00 0.00 C ATOM 1565 C SER A 127 2.089 -3.060 -6.107 1.00 0.00 C ATOM 1566 O SER A 127 2.476 -2.259 -6.965 1.00 0.00 O ATOM 1567 CB SER A 127 4.027 -4.662 -5.987 1.00 0.00 C ATOM 1568 OG SER A 127 4.422 -6.015 -6.179 1.00 0.00 O ATOM 0 H SER A 127 2.843 -5.265 -8.085 1.00 0.00 H new ATOM 0 HA SER A 127 2.027 -5.037 -5.322 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.537 -4.021 -6.706 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.324 -4.326 -4.993 1.00 0.00 H new ATOM 0 HG SER A 127 5.116 -6.249 -5.528 1.00 0.00 H new ATOM 1574 N LEU A 128 1.282 -2.721 -5.109 1.00 0.00 N ATOM 1575 CA LEU A 128 0.750 -1.374 -4.975 1.00 0.00 C ATOM 1576 C LEU A 128 1.828 -0.454 -4.423 1.00 0.00 C ATOM 1577 O LEU A 128 2.526 -0.802 -3.466 1.00 0.00 O ATOM 1578 CB LEU A 128 -0.483 -1.379 -4.061 1.00 0.00 C ATOM 1579 CG LEU A 128 -1.382 -0.135 -4.129 1.00 0.00 C ATOM 1580 CD1 LEU A 128 -2.785 -0.479 -3.656 1.00 0.00 C ATOM 1581 CD2 LEU A 128 -0.820 0.998 -3.281 1.00 0.00 C ATOM 0 H LEU A 128 0.981 -3.366 -4.378 1.00 0.00 H new ATOM 0 HA LEU A 128 0.443 -1.007 -5.955 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -1.087 -2.252 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -0.146 -1.503 -3.032 1.00 0.00 H new ATOM 0 HG LEU A 128 -1.418 0.197 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -3.415 0.409 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -3.203 -1.258 -4.294 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -2.745 -0.835 -2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -1.478 1.864 -3.349 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -0.751 0.675 -2.242 1.00 0.00 H new ATOM 0 HD23 LEU A 128 0.172 1.266 -3.644 1.00 0.00 H new ATOM 1593 N GLY A 129 1.967 0.708 -5.031 1.00 0.00 N ATOM 1594 CA GLY A 129 2.984 1.635 -4.609 1.00 0.00 C ATOM 1595 C GLY A 129 2.443 3.025 -4.377 1.00 0.00 C ATOM 1596 O GLY A 129 1.429 3.418 -4.961 1.00 0.00 O ATOM 0 H GLY A 129 1.392 1.025 -5.811 1.00 0.00 H new ATOM 0 HA2 GLY A 129 3.444 1.270 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 129 3.769 1.676 -5.364 1.00 0.00 H new ATOM 1600 N LEU A 130 3.126 3.766 -3.525 1.00 0.00 N ATOM 1601 CA LEU A 130 2.745 5.128 -3.217 1.00 0.00 C ATOM 1602 C LEU A 130 3.921 6.053 -3.494 1.00 0.00 C ATOM 1603 O LEU A 130 5.054 5.760 -3.108 1.00 0.00 O ATOM 1604 CB LEU A 130 2.317 5.235 -1.749 1.00 0.00 C ATOM 1605 CG LEU A 130 1.876 6.626 -1.286 1.00 0.00 C ATOM 1606 CD1 LEU A 130 0.609 7.063 -2.008 1.00 0.00 C ATOM 1607 CD2 LEU A 130 1.666 6.640 0.220 1.00 0.00 C ATOM 0 H LEU A 130 3.956 3.441 -3.030 1.00 0.00 H new ATOM 0 HA LEU A 130 1.903 5.421 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 130 1.497 4.538 -1.577 1.00 0.00 H new ATOM 0 HB3 LEU A 130 3.148 4.910 -1.123 1.00 0.00 H new ATOM 0 HG LEU A 130 2.666 7.335 -1.533 1.00 0.00 H new ATOM 0 HD11 LEU A 130 0.316 8.054 -1.662 1.00 0.00 H new ATOM 0 HD12 LEU A 130 0.794 7.094 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 130 -0.192 6.354 -1.798 1.00 0.00 H new ATOM 0 HD21 LEU A 130 1.353 7.636 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 130 0.896 5.916 0.487 1.00 0.00 H new ATOM 0 HD23 LEU A 130 2.599 6.378 0.720 1.00 0.00 H new ATOM 1619 N THR A 131 3.663 7.140 -4.196 1.00 0.00 N ATOM 1620 CA THR A 131 4.697 8.111 -4.495 1.00 0.00 C ATOM 1621 C THR A 131 4.405 9.426 -3.784 1.00 0.00 C ATOM 1622 O THR A 131 3.535 10.186 -4.205 1.00 0.00 O ATOM 1623 CB THR A 131 4.794 8.354 -6.012 1.00 0.00 C ATOM 1624 OG1 THR A 131 4.813 7.095 -6.698 1.00 0.00 O ATOM 1625 CG2 THR A 131 6.047 9.145 -6.361 1.00 0.00 C ATOM 0 H THR A 131 2.743 7.373 -4.571 1.00 0.00 H new ATOM 0 HA THR A 131 5.649 7.714 -4.142 1.00 0.00 H new ATOM 0 HB THR A 131 3.925 8.934 -6.324 1.00 0.00 H new ATOM 0 HG1 THR A 131 4.873 7.250 -7.664 1.00 0.00 H new ATOM 0 HG21 THR A 131 6.090 9.302 -7.439 1.00 0.00 H new ATOM 0 HG22 THR A 131 6.021 10.110 -5.855 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.929 8.590 -6.040 1.00 0.00 H new ATOM 1633 N CYS A 132 5.111 9.675 -2.697 1.00 0.00 N ATOM 1634 CA CYS A 132 4.935 10.904 -1.936 1.00 0.00 C ATOM 1635 C CYS A 132 5.805 12.013 -2.511 1.00 0.00 C ATOM 1636 O CYS A 132 6.880 11.750 -3.047 1.00 0.00 O ATOM 1637 CB CYS A 132 5.284 10.675 -0.463 1.00 0.00 C ATOM 1638 SG CYS A 132 4.324 9.344 0.327 1.00 0.00 S ATOM 0 H CYS A 132 5.815 9.042 -2.318 1.00 0.00 H new ATOM 0 HA CYS A 132 3.890 11.205 -2.006 1.00 0.00 H new ATOM 0 HB2 CYS A 132 6.345 10.440 -0.384 1.00 0.00 H new ATOM 0 HB3 CYS A 132 5.121 11.602 0.087 1.00 0.00 H new ATOM 1643 N LEU A 133 5.329 13.245 -2.412 1.00 0.00 N ATOM 1644 CA LEU A 133 6.073 14.396 -2.897 1.00 0.00 C ATOM 1645 C LEU A 133 7.236 14.682 -1.944 1.00 0.00 C ATOM 1646 O LEU A 133 7.064 15.352 -0.928 1.00 0.00 O ATOM 1647 CB LEU A 133 5.126 15.603 -2.986 1.00 0.00 C ATOM 1648 CG LEU A 133 5.531 16.722 -3.954 1.00 0.00 C ATOM 1649 CD1 LEU A 133 4.384 17.708 -4.115 1.00 0.00 C ATOM 1650 CD2 LEU A 133 6.781 17.443 -3.474 1.00 0.00 C ATOM 0 H LEU A 133 4.425 13.473 -1.998 1.00 0.00 H new ATOM 0 HA LEU A 133 6.479 14.197 -3.889 1.00 0.00 H new ATOM 0 HB2 LEU A 133 4.139 15.242 -3.276 1.00 0.00 H new ATOM 0 HB3 LEU A 133 5.027 16.033 -1.989 1.00 0.00 H new ATOM 0 HG LEU A 133 5.756 16.271 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 133 4.679 18.500 -4.804 1.00 0.00 H new ATOM 0 HD12 LEU A 133 3.511 17.189 -4.511 1.00 0.00 H new ATOM 0 HD13 LEU A 133 4.139 18.143 -3.146 1.00 0.00 H new ATOM 0 HD21 LEU A 133 7.042 18.230 -4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 133 6.594 17.883 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 133 7.605 16.733 -3.401 1.00 0.00 H new ATOM 1662 N GLU A 134 8.409 14.152 -2.257 1.00 0.00 N ATOM 1663 CA GLU A 134 9.571 14.333 -1.396 1.00 0.00 C ATOM 1664 C GLU A 134 10.198 15.706 -1.615 1.00 0.00 C ATOM 1665 O GLU A 134 10.754 15.949 -2.703 1.00 0.00 O ATOM 1666 CB GLU A 134 10.617 13.212 -1.584 1.00 0.00 C ATOM 1667 CG GLU A 134 10.423 12.323 -2.810 1.00 0.00 C ATOM 1668 CD GLU A 134 10.662 13.039 -4.126 1.00 0.00 C ATOM 1669 OE1 GLU A 134 11.840 13.258 -4.489 1.00 0.00 O ATOM 1670 OE2 GLU A 134 9.672 13.379 -4.809 1.00 0.00 O ATOM 1671 OXT GLU A 134 10.132 16.542 -0.687 1.00 0.00 O ATOM 0 H GLU A 134 8.582 13.597 -3.095 1.00 0.00 H new ATOM 0 HA GLU A 134 9.221 14.272 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 134 11.605 13.669 -1.642 1.00 0.00 H new ATOM 0 HB3 GLU A 134 10.609 12.581 -0.696 1.00 0.00 H new ATOM 0 HG2 GLU A 134 11.100 11.472 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 134 9.408 11.925 -2.802 1.00 0.00 H new TER 1678 GLU A 134