USER MOD reduce.3.24.130724 H: found=0, std=0, add=834, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 832 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 22 HIS : no HD1:sc= -0.569 K(o=-1.4,f=-0.42) USER MOD Set 1.2: A 29 HIS : no HD1:sc= -0.789 X(o=-1.4,f=-1.7) USER MOD Set 2.1: A 8 HIS : no HD1:sc= -1.16 K(o=-0.97,f=0.072) USER MOD Set 2.2: A 44 SER OG : rot 5:sc= 0.186 USER MOD Set 3.1: A 1 GLY N :NH3+ -148:sc= 0 (180deg=-0.000329) USER MOD Set 3.2: A 88 LYS NZ :NH3+ -170:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -80:sc= -1.32 USER MOD Single : A 19 TYR OH : rot 180:sc= -0.394 USER MOD Single : A 24 ASN : amide:sc= -4.28! C(o=-4.3!,f=-10!) USER MOD Single : A 26 ASN : amide:sc= -1.55 K(o=-1.6,f=-0.83) USER MOD Single : A 28 HIS : no HD1:sc=-0.00191 X(o=-0.0019,f=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 33 LYS NZ :NH3+ 167:sc= -0.0511 (180deg=-0.262) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 CYS SG : rot 148:sc= -4.17! USER MOD Single : A 42 GLN : amide:sc= -3.1! K(o=-3.1!,f=0.36) USER MOD Single : A 43 LYS NZ :NH3+ -135:sc= -1.85 (180deg=-5.34!) USER MOD Single : A 51 SER OG : rot -160:sc= -1.09 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= -0.033 X(o=-0.033,f=0) USER MOD Single : A 65 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.0028) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.685 USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 79 THR OG1 : rot 168:sc= -1.17! USER MOD Single : A 87 GLN : amide:sc= -1.92 K(o=-1.9,f=-3!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.849 5.418 -12.529 1.00 0.00 N ATOM 2 CA GLY A 1 10.564 5.701 -13.804 1.00 0.00 C ATOM 3 C GLY A 1 9.663 5.566 -15.016 1.00 0.00 C ATOM 4 O GLY A 1 9.682 6.412 -15.909 1.00 0.00 O ATOM 0 H1 GLY A 1 10.254 5.999 -11.768 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.840 5.645 -12.639 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.953 4.412 -12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.974 6.710 -13.771 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.407 5.017 -13.904 1.00 0.00 H new ATOM 8 N SER A 2 8.871 4.498 -15.045 1.00 0.00 N ATOM 9 CA SER A 2 7.958 4.253 -16.155 1.00 0.00 C ATOM 10 C SER A 2 6.512 4.200 -15.669 1.00 0.00 C ATOM 11 O SER A 2 5.683 5.018 -16.067 1.00 0.00 O ATOM 12 CB SER A 2 8.318 2.944 -16.861 1.00 0.00 C ATOM 13 OG SER A 2 7.443 2.691 -17.945 1.00 0.00 O ATOM 0 H SER A 2 8.844 3.789 -14.312 1.00 0.00 H new ATOM 0 HA SER A 2 8.056 5.078 -16.861 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.345 2.993 -17.223 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.269 2.119 -16.150 1.00 0.00 H new ATOM 0 HG SER A 2 7.696 1.850 -18.380 1.00 0.00 H new ATOM 19 N TYR A 3 6.220 3.233 -14.805 1.00 0.00 N ATOM 20 CA TYR A 3 4.876 3.072 -14.262 1.00 0.00 C ATOM 21 C TYR A 3 4.626 4.071 -13.137 1.00 0.00 C ATOM 22 O TYR A 3 5.299 4.041 -12.107 1.00 0.00 O ATOM 23 CB TYR A 3 4.679 1.644 -13.750 1.00 0.00 C ATOM 24 CG TYR A 3 3.286 1.369 -13.231 1.00 0.00 C ATOM 25 CD1 TYR A 3 2.196 1.340 -14.090 1.00 0.00 C ATOM 26 CD2 TYR A 3 3.062 1.137 -11.879 1.00 0.00 C ATOM 27 CE1 TYR A 3 0.922 1.088 -13.619 1.00 0.00 C ATOM 28 CE2 TYR A 3 1.791 0.884 -11.400 1.00 0.00 C ATOM 29 CZ TYR A 3 0.724 0.861 -12.274 1.00 0.00 C ATOM 30 OH TYR A 3 -0.543 0.610 -11.801 1.00 0.00 O ATOM 0 H TYR A 3 6.896 2.549 -14.466 1.00 0.00 H new ATOM 0 HA TYR A 3 4.159 3.264 -15.060 1.00 0.00 H new ATOM 0 HB2 TYR A 3 4.901 0.945 -14.556 1.00 0.00 H new ATOM 0 HB3 TYR A 3 5.398 1.451 -12.954 1.00 0.00 H new ATOM 0 HD1 TYR A 3 2.347 1.517 -15.145 1.00 0.00 H new ATOM 0 HD2 TYR A 3 3.895 1.155 -11.192 1.00 0.00 H new ATOM 0 HE1 TYR A 3 0.085 1.069 -14.301 1.00 0.00 H new ATOM 0 HE2 TYR A 3 1.634 0.705 -10.347 1.00 0.00 H new ATOM 0 HH TYR A 3 -0.509 0.471 -10.832 1.00 0.00 H new ATOM 40 N TRP A 4 3.655 4.957 -13.339 1.00 0.00 N ATOM 41 CA TRP A 4 3.324 5.963 -12.337 1.00 0.00 C ATOM 42 C TRP A 4 1.820 6.243 -12.317 1.00 0.00 C ATOM 43 O TRP A 4 1.323 7.044 -13.108 1.00 0.00 O ATOM 44 CB TRP A 4 4.092 7.258 -12.613 1.00 0.00 C ATOM 45 CG TRP A 4 3.877 8.315 -11.572 1.00 0.00 C ATOM 46 CD1 TRP A 4 2.901 9.270 -11.561 1.00 0.00 C ATOM 47 CD2 TRP A 4 4.660 8.527 -10.392 1.00 0.00 C ATOM 48 NE1 TRP A 4 3.028 10.060 -10.445 1.00 0.00 N ATOM 49 CE2 TRP A 4 4.101 9.624 -9.711 1.00 0.00 C ATOM 50 CE3 TRP A 4 5.779 7.893 -9.844 1.00 0.00 C ATOM 51 CZ2 TRP A 4 4.622 10.101 -8.512 1.00 0.00 C ATOM 52 CZ3 TRP A 4 6.296 8.369 -8.653 1.00 0.00 C ATOM 53 CH2 TRP A 4 5.718 9.463 -7.998 1.00 0.00 C ATOM 0 H TRP A 4 3.086 4.998 -14.184 1.00 0.00 H new ATOM 0 HA TRP A 4 3.615 5.576 -11.360 1.00 0.00 H new ATOM 0 HB2 TRP A 4 5.157 7.033 -12.676 1.00 0.00 H new ATOM 0 HB3 TRP A 4 3.791 7.650 -13.585 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.141 9.387 -12.319 1.00 0.00 H new ATOM 0 HE1 TRP A 4 2.422 10.844 -10.202 1.00 0.00 H new ATOM 0 HE3 TRP A 4 6.231 7.048 -10.341 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 4.177 10.945 -8.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.161 7.888 -8.220 1.00 0.00 H new ATOM 0 HH2 TRP A 4 6.145 9.810 -7.069 1.00 0.00 H new ATOM 64 N PRO A 5 1.073 5.576 -11.416 1.00 0.00 N ATOM 65 CA PRO A 5 -0.378 5.764 -11.299 1.00 0.00 C ATOM 66 C PRO A 5 -0.739 7.179 -10.856 1.00 0.00 C ATOM 67 O PRO A 5 0.138 7.988 -10.556 1.00 0.00 O ATOM 68 CB PRO A 5 -0.798 4.752 -10.224 1.00 0.00 C ATOM 69 CG PRO A 5 0.342 3.796 -10.116 1.00 0.00 C ATOM 70 CD PRO A 5 1.573 4.584 -10.451 1.00 0.00 C ATOM 0 HA PRO A 5 -0.880 5.617 -12.255 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.988 5.246 -9.271 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.717 4.238 -10.505 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.407 3.378 -9.111 1.00 0.00 H new ATOM 0 HG3 PRO A 5 0.216 2.959 -10.802 1.00 0.00 H new ATOM 0 HD2 PRO A 5 2.002 5.059 -9.569 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.351 3.955 -10.884 1.00 0.00 H new ATOM 78 N ALA A 6 -2.037 7.468 -10.816 1.00 0.00 N ATOM 79 CA ALA A 6 -2.511 8.784 -10.403 1.00 0.00 C ATOM 80 C ALA A 6 -2.606 8.873 -8.884 1.00 0.00 C ATOM 81 O ALA A 6 -2.292 7.914 -8.178 1.00 0.00 O ATOM 82 CB ALA A 6 -3.858 9.087 -11.041 1.00 0.00 C ATOM 0 H ALA A 6 -2.776 6.811 -11.064 1.00 0.00 H new ATOM 0 HA ALA A 6 -1.791 9.529 -10.742 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -4.198 10.073 -10.723 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -3.758 9.070 -12.126 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -4.584 8.335 -10.732 1.00 0.00 H new ATOM 88 N ARG A 7 -3.043 10.024 -8.386 1.00 0.00 N ATOM 89 CA ARG A 7 -3.173 10.232 -6.948 1.00 0.00 C ATOM 90 C ARG A 7 -4.435 9.561 -6.410 1.00 0.00 C ATOM 91 O ARG A 7 -5.464 9.525 -7.086 1.00 0.00 O ATOM 92 CB ARG A 7 -3.198 11.729 -6.630 1.00 0.00 C ATOM 93 CG ARG A 7 -3.109 12.036 -5.144 1.00 0.00 C ATOM 94 CD ARG A 7 -3.212 13.529 -4.879 1.00 0.00 C ATOM 95 NE ARG A 7 -2.134 14.276 -5.520 1.00 0.00 N ATOM 96 CZ ARG A 7 -2.018 15.600 -5.463 1.00 0.00 C ATOM 97 NH1 ARG A 7 -2.912 16.320 -4.798 1.00 0.00 N ATOM 98 NH2 ARG A 7 -1.007 16.205 -6.071 1.00 0.00 N ATOM 0 H ARG A 7 -3.313 10.826 -8.955 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.310 9.778 -6.460 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -2.368 12.215 -7.143 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -4.116 12.161 -7.028 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -3.907 11.515 -4.615 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.166 11.659 -4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -4.172 13.896 -5.242 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -3.188 13.709 -3.804 1.00 0.00 H new ATOM 0 HE ARG A 7 -1.430 13.753 -6.041 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.691 15.859 -4.328 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -2.820 17.335 -4.756 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -0.317 15.655 -6.583 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -0.919 17.220 -6.027 1.00 0.00 H new ATOM 112 N HIS A 8 -4.343 9.028 -5.193 1.00 0.00 N ATOM 113 CA HIS A 8 -5.471 8.353 -4.552 1.00 0.00 C ATOM 114 C HIS A 8 -5.913 7.131 -5.355 1.00 0.00 C ATOM 115 O HIS A 8 -6.926 6.506 -5.038 1.00 0.00 O ATOM 116 CB HIS A 8 -6.652 9.313 -4.383 1.00 0.00 C ATOM 117 CG HIS A 8 -6.333 10.523 -3.560 1.00 0.00 C ATOM 118 ND1 HIS A 8 -5.969 10.456 -2.232 1.00 0.00 N ATOM 119 CD2 HIS A 8 -6.326 11.838 -3.884 1.00 0.00 C ATOM 120 CE1 HIS A 8 -5.753 11.676 -1.774 1.00 0.00 C ATOM 121 NE2 HIS A 8 -5.962 12.532 -2.757 1.00 0.00 N ATOM 0 H HIS A 8 -3.494 9.051 -4.628 1.00 0.00 H new ATOM 0 HA HIS A 8 -5.138 8.021 -3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -6.991 9.634 -5.368 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -7.480 8.777 -3.919 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.563 12.262 -4.849 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -5.456 11.930 -0.767 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -5.868 13.545 -2.690 1.00 0.00 H new ATOM 130 N SER A 9 -5.152 6.794 -6.391 1.00 0.00 N ATOM 131 CA SER A 9 -5.475 5.644 -7.230 1.00 0.00 C ATOM 132 C SER A 9 -5.415 4.353 -6.423 1.00 0.00 C ATOM 133 O SER A 9 -4.880 4.328 -5.316 1.00 0.00 O ATOM 134 CB SER A 9 -4.514 5.562 -8.416 1.00 0.00 C ATOM 135 OG SER A 9 -4.616 6.713 -9.235 1.00 0.00 O ATOM 0 H SER A 9 -4.310 7.298 -6.670 1.00 0.00 H new ATOM 0 HA SER A 9 -6.490 5.773 -7.605 1.00 0.00 H new ATOM 0 HB2 SER A 9 -3.491 5.460 -8.053 1.00 0.00 H new ATOM 0 HB3 SER A 9 -4.734 4.672 -9.005 1.00 0.00 H new ATOM 0 HG SER A 9 -5.396 6.629 -9.822 1.00 0.00 H new ATOM 141 N GLY A 10 -5.966 3.282 -6.982 1.00 0.00 N ATOM 142 CA GLY A 10 -5.959 2.007 -6.290 1.00 0.00 C ATOM 143 C GLY A 10 -4.554 1.504 -6.018 1.00 0.00 C ATOM 144 O GLY A 10 -4.166 1.320 -4.867 1.00 0.00 O ATOM 0 H GLY A 10 -6.415 3.273 -7.898 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -6.496 2.106 -5.346 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -6.497 1.270 -6.887 1.00 0.00 H new ATOM 148 N ALA A 11 -3.789 1.292 -7.083 1.00 0.00 N ATOM 149 CA ALA A 11 -2.420 0.804 -6.961 1.00 0.00 C ATOM 150 C ALA A 11 -1.550 1.771 -6.158 1.00 0.00 C ATOM 151 O ALA A 11 -0.591 1.363 -5.502 1.00 0.00 O ATOM 152 CB ALA A 11 -1.826 0.565 -8.340 1.00 0.00 C ATOM 0 H ALA A 11 -4.095 1.451 -8.043 1.00 0.00 H new ATOM 0 HA ALA A 11 -2.445 -0.141 -6.418 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -0.804 0.201 -8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -2.424 -0.176 -8.870 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -1.824 1.499 -8.902 1.00 0.00 H new ATOM 158 N ARG A 12 -1.893 3.052 -6.220 1.00 0.00 N ATOM 159 CA ARG A 12 -1.151 4.086 -5.510 1.00 0.00 C ATOM 160 C ARG A 12 -1.310 3.932 -4.007 1.00 0.00 C ATOM 161 O ARG A 12 -0.333 3.798 -3.265 1.00 0.00 O ATOM 162 CB ARG A 12 -1.677 5.460 -5.927 1.00 0.00 C ATOM 163 CG ARG A 12 -0.643 6.568 -5.858 1.00 0.00 C ATOM 164 CD ARG A 12 -0.453 7.077 -4.437 1.00 0.00 C ATOM 165 NE ARG A 12 0.530 8.157 -4.374 1.00 0.00 N ATOM 166 CZ ARG A 12 0.510 9.121 -3.458 1.00 0.00 C ATOM 167 NH1 ARG A 12 -0.442 9.146 -2.536 1.00 0.00 N ATOM 168 NH2 ARG A 12 1.442 10.064 -3.467 1.00 0.00 N ATOM 0 H ARG A 12 -2.686 3.401 -6.759 1.00 0.00 H new ATOM 0 HA ARG A 12 -0.095 3.989 -5.763 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -2.058 5.397 -6.946 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.519 5.724 -5.287 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.309 6.201 -6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.951 7.393 -6.501 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -1.407 7.431 -4.047 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.132 6.256 -3.797 1.00 0.00 H new ATOM 0 HE ARG A 12 1.273 8.172 -5.072 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.163 8.424 -2.527 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.454 9.887 -1.835 1.00 0.00 H new ATOM 0 HH21 ARG A 12 2.175 10.050 -4.177 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.426 10.803 -2.764 1.00 0.00 H new ATOM 182 N VAL A 13 -2.560 3.941 -3.578 1.00 0.00 N ATOM 183 CA VAL A 13 -2.899 3.840 -2.174 1.00 0.00 C ATOM 184 C VAL A 13 -2.439 2.523 -1.544 1.00 0.00 C ATOM 185 O VAL A 13 -2.092 2.486 -0.364 1.00 0.00 O ATOM 186 CB VAL A 13 -4.420 3.998 -1.972 1.00 0.00 C ATOM 187 CG1 VAL A 13 -4.796 3.803 -0.516 1.00 0.00 C ATOM 188 CG2 VAL A 13 -4.885 5.359 -2.465 1.00 0.00 C ATOM 0 H VAL A 13 -3.368 4.019 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.368 4.649 -1.672 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.921 3.228 -2.558 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -5.874 3.919 -0.400 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -4.502 2.804 -0.195 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.283 4.546 0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -5.961 5.453 -2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.371 6.143 -1.908 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -4.657 5.459 -3.526 1.00 0.00 H new ATOM 198 N ILE A 14 -2.432 1.445 -2.325 1.00 0.00 N ATOM 199 CA ILE A 14 -2.046 0.140 -1.799 1.00 0.00 C ATOM 200 C ILE A 14 -0.535 0.011 -1.564 1.00 0.00 C ATOM 201 O ILE A 14 -0.109 -0.379 -0.482 1.00 0.00 O ATOM 202 CB ILE A 14 -2.530 -1.011 -2.708 1.00 0.00 C ATOM 203 CG1 ILE A 14 -1.800 -1.009 -4.053 1.00 0.00 C ATOM 204 CG2 ILE A 14 -4.032 -0.921 -2.923 1.00 0.00 C ATOM 205 CD1 ILE A 14 -2.158 -2.185 -4.937 1.00 0.00 C ATOM 0 H ILE A 14 -2.686 1.449 -3.313 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.541 0.061 -0.831 1.00 0.00 H new ATOM 0 HB ILE A 14 -2.300 -1.950 -2.205 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -2.031 -0.084 -4.581 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -0.725 -1.014 -3.874 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -4.357 -1.739 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.542 -0.990 -1.962 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -4.276 0.030 -3.396 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -1.604 -2.119 -5.873 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.901 -3.114 -4.428 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -3.228 -2.170 -5.147 1.00 0.00 H new ATOM 217 N LEU A 15 0.278 0.333 -2.563 1.00 0.00 N ATOM 218 CA LEU A 15 1.724 0.204 -2.393 1.00 0.00 C ATOM 219 C LEU A 15 2.246 1.142 -1.307 1.00 0.00 C ATOM 220 O LEU A 15 3.210 0.820 -0.609 1.00 0.00 O ATOM 221 CB LEU A 15 2.449 0.468 -3.714 1.00 0.00 C ATOM 222 CG LEU A 15 1.998 -0.409 -4.881 1.00 0.00 C ATOM 223 CD1 LEU A 15 2.291 0.272 -6.206 1.00 0.00 C ATOM 224 CD2 LEU A 15 2.682 -1.765 -4.818 1.00 0.00 C ATOM 0 H LEU A 15 -0.025 0.676 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 15 1.927 -0.820 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.306 1.513 -3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 15 3.518 0.322 -3.561 1.00 0.00 H new ATOM 0 HG LEU A 15 0.921 -0.559 -4.804 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.963 -0.368 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.759 1.222 -6.252 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.362 0.452 -6.294 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.351 -2.379 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.762 -1.630 -4.872 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.424 -2.260 -3.882 1.00 0.00 H new ATOM 236 N LEU A 16 1.604 2.295 -1.154 1.00 0.00 N ATOM 237 CA LEU A 16 2.022 3.257 -0.157 1.00 0.00 C ATOM 238 C LEU A 16 1.657 2.781 1.242 1.00 0.00 C ATOM 239 O LEU A 16 2.447 2.883 2.186 1.00 0.00 O ATOM 240 CB LEU A 16 1.347 4.589 -0.442 1.00 0.00 C ATOM 241 CG LEU A 16 1.688 5.696 0.537 1.00 0.00 C ATOM 242 CD1 LEU A 16 3.172 6.020 0.481 1.00 0.00 C ATOM 243 CD2 LEU A 16 0.852 6.927 0.246 1.00 0.00 C ATOM 0 H LEU A 16 0.796 2.580 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 16 3.105 3.370 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.623 4.913 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.267 4.441 -0.440 1.00 0.00 H new ATOM 0 HG LEU A 16 1.457 5.355 1.546 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.398 6.816 1.190 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.748 5.131 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 16 3.436 6.345 -0.525 1.00 0.00 H new ATOM 0 HD21 LEU A 16 1.106 7.715 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.054 7.273 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.205 6.680 0.341 1.00 0.00 H new ATOM 255 N VAL A 17 0.447 2.264 1.365 1.00 0.00 N ATOM 256 CA VAL A 17 -0.043 1.771 2.636 1.00 0.00 C ATOM 257 C VAL A 17 0.763 0.553 3.090 1.00 0.00 C ATOM 258 O VAL A 17 1.054 0.398 4.276 1.00 0.00 O ATOM 259 CB VAL A 17 -1.544 1.449 2.542 1.00 0.00 C ATOM 260 CG1 VAL A 17 -1.789 0.083 1.947 1.00 0.00 C ATOM 261 CG2 VAL A 17 -2.212 1.567 3.893 1.00 0.00 C ATOM 0 H VAL A 17 -0.216 2.175 0.595 1.00 0.00 H new ATOM 0 HA VAL A 17 0.087 2.550 3.387 1.00 0.00 H new ATOM 0 HB VAL A 17 -1.988 2.186 1.873 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.861 -0.106 1.898 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.367 0.043 0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -1.315 -0.676 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.272 1.334 3.796 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.749 0.869 4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -2.097 2.584 4.268 1.00 0.00 H new ATOM 271 N LEU A 18 1.121 -0.312 2.139 1.00 0.00 N ATOM 272 CA LEU A 18 1.936 -1.481 2.440 1.00 0.00 C ATOM 273 C LEU A 18 3.343 -1.030 2.787 1.00 0.00 C ATOM 274 O LEU A 18 4.061 -1.686 3.540 1.00 0.00 O ATOM 275 CB LEU A 18 2.000 -2.415 1.230 1.00 0.00 C ATOM 276 CG LEU A 18 0.878 -3.439 1.111 1.00 0.00 C ATOM 277 CD1 LEU A 18 1.040 -4.532 2.155 1.00 0.00 C ATOM 278 CD2 LEU A 18 -0.486 -2.787 1.237 1.00 0.00 C ATOM 0 H LEU A 18 0.858 -0.222 1.158 1.00 0.00 H new ATOM 0 HA LEU A 18 1.489 -2.015 3.279 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.005 -1.805 0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.950 -2.949 1.259 1.00 0.00 H new ATOM 0 HG LEU A 18 0.944 -3.887 0.119 1.00 0.00 H new ATOM 0 HD11 LEU A 18 0.230 -5.254 2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.995 -5.036 2.009 1.00 0.00 H new ATOM 0 HD13 LEU A 18 1.011 -4.091 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.262 -3.547 1.147 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -0.567 -2.298 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -0.610 -2.047 0.447 1.00 0.00 H new ATOM 290 N TYR A 19 3.717 0.109 2.216 1.00 0.00 N ATOM 291 CA TYR A 19 5.049 0.672 2.419 1.00 0.00 C ATOM 292 C TYR A 19 5.373 0.877 3.893 1.00 0.00 C ATOM 293 O TYR A 19 6.291 0.254 4.414 1.00 0.00 O ATOM 294 CB TYR A 19 5.166 2.002 1.667 1.00 0.00 C ATOM 295 CG TYR A 19 6.513 2.679 1.790 1.00 0.00 C ATOM 296 CD1 TYR A 19 7.574 2.314 0.972 1.00 0.00 C ATOM 297 CD2 TYR A 19 6.718 3.694 2.715 1.00 0.00 C ATOM 298 CE1 TYR A 19 8.803 2.938 1.074 1.00 0.00 C ATOM 299 CE2 TYR A 19 7.943 4.327 2.822 1.00 0.00 C ATOM 300 CZ TYR A 19 8.982 3.944 2.001 1.00 0.00 C ATOM 301 OH TYR A 19 10.203 4.570 2.104 1.00 0.00 O ATOM 0 H TYR A 19 3.115 0.663 1.607 1.00 0.00 H new ATOM 0 HA TYR A 19 5.772 -0.044 2.027 1.00 0.00 H new ATOM 0 HB2 TYR A 19 4.957 1.827 0.612 1.00 0.00 H new ATOM 0 HB3 TYR A 19 4.398 2.682 2.036 1.00 0.00 H new ATOM 0 HD1 TYR A 19 7.436 1.529 0.243 1.00 0.00 H new ATOM 0 HD2 TYR A 19 5.907 3.994 3.362 1.00 0.00 H new ATOM 0 HE1 TYR A 19 9.618 2.640 0.432 1.00 0.00 H new ATOM 0 HE2 TYR A 19 8.085 5.117 3.545 1.00 0.00 H new ATOM 0 HH TYR A 19 10.161 5.255 2.803 1.00 0.00 H new ATOM 311 N ARG A 20 4.593 1.704 4.575 1.00 0.00 N ATOM 312 CA ARG A 20 4.864 1.981 5.984 1.00 0.00 C ATOM 313 C ARG A 20 4.941 0.719 6.831 1.00 0.00 C ATOM 314 O ARG A 20 5.924 0.515 7.543 1.00 0.00 O ATOM 315 CB ARG A 20 3.822 2.936 6.556 1.00 0.00 C ATOM 316 CG ARG A 20 2.408 2.681 6.070 1.00 0.00 C ATOM 317 CD ARG A 20 1.522 3.872 6.378 1.00 0.00 C ATOM 318 NE ARG A 20 0.127 3.643 6.018 1.00 0.00 N ATOM 319 CZ ARG A 20 -0.820 4.570 6.130 1.00 0.00 C ATOM 320 NH1 ARG A 20 -0.517 5.779 6.583 1.00 0.00 N ATOM 321 NH2 ARG A 20 -2.068 4.290 5.789 1.00 0.00 N ATOM 0 H ARG A 20 3.783 2.188 4.188 1.00 0.00 H new ATOM 0 HA ARG A 20 5.846 2.452 6.023 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.838 2.864 7.643 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.103 3.958 6.300 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.414 2.492 4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.007 1.788 6.549 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.586 4.102 7.442 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.893 4.745 5.841 1.00 0.00 H new ATOM 0 HE ARG A 20 -0.136 2.724 5.662 1.00 0.00 H new ATOM 0 HH11 ARG A 20 0.444 5.999 6.846 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.245 6.489 6.668 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -2.305 3.362 5.439 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -2.793 5.003 5.876 1.00 0.00 H new ATOM 335 N GLU A 21 3.925 -0.129 6.756 1.00 0.00 N ATOM 336 CA GLU A 21 3.931 -1.354 7.550 1.00 0.00 C ATOM 337 C GLU A 21 5.129 -2.226 7.187 1.00 0.00 C ATOM 338 O GLU A 21 5.634 -2.984 8.015 1.00 0.00 O ATOM 339 CB GLU A 21 2.633 -2.136 7.344 1.00 0.00 C ATOM 340 CG GLU A 21 2.530 -3.374 8.218 1.00 0.00 C ATOM 341 CD GLU A 21 2.567 -3.048 9.699 1.00 0.00 C ATOM 342 OE1 GLU A 21 1.487 -2.820 10.284 1.00 0.00 O ATOM 343 OE2 GLU A 21 3.676 -3.022 10.274 1.00 0.00 O ATOM 0 H GLU A 21 3.102 0.001 6.168 1.00 0.00 H new ATOM 0 HA GLU A 21 4.008 -1.075 8.601 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.786 -1.482 7.552 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.558 -2.432 6.298 1.00 0.00 H new ATOM 0 HG2 GLU A 21 1.603 -3.900 7.989 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.349 -4.052 7.979 1.00 0.00 H new ATOM 350 N HIS A 22 5.573 -2.116 5.941 1.00 0.00 N ATOM 351 CA HIS A 22 6.721 -2.898 5.497 1.00 0.00 C ATOM 352 C HIS A 22 8.003 -2.343 6.107 1.00 0.00 C ATOM 353 O HIS A 22 8.923 -3.093 6.435 1.00 0.00 O ATOM 354 CB HIS A 22 6.803 -2.903 3.972 1.00 0.00 C ATOM 355 CG HIS A 22 8.051 -3.528 3.428 1.00 0.00 C ATOM 356 ND1 HIS A 22 8.112 -4.838 3.002 1.00 0.00 N ATOM 357 CD2 HIS A 22 9.288 -3.012 3.231 1.00 0.00 C ATOM 358 CE1 HIS A 22 9.333 -5.100 2.568 1.00 0.00 C ATOM 359 NE2 HIS A 22 10.064 -4.010 2.695 1.00 0.00 N ATOM 0 H HIS A 22 5.166 -1.506 5.232 1.00 0.00 H new ATOM 0 HA HIS A 22 6.598 -3.927 5.834 1.00 0.00 H new ATOM 0 HB2 HIS A 22 5.939 -3.436 3.574 1.00 0.00 H new ATOM 0 HB3 HIS A 22 6.737 -1.876 3.612 1.00 0.00 H new ATOM 0 HD2 HIS A 22 9.605 -2.004 3.454 1.00 0.00 H new ATOM 0 HE1 HIS A 22 9.674 -6.047 2.176 1.00 0.00 H new ATOM 0 HE2 HIS A 22 11.047 -3.922 2.437 1.00 0.00 H new ATOM 368 N LEU A 23 8.054 -1.022 6.258 1.00 0.00 N ATOM 369 CA LEU A 23 9.220 -0.384 6.859 1.00 0.00 C ATOM 370 C LEU A 23 9.302 -0.709 8.343 1.00 0.00 C ATOM 371 O LEU A 23 10.099 -0.122 9.073 1.00 0.00 O ATOM 372 CB LEU A 23 9.168 1.132 6.666 1.00 0.00 C ATOM 373 CG LEU A 23 9.716 1.629 5.330 1.00 0.00 C ATOM 374 CD1 LEU A 23 8.757 1.305 4.197 1.00 0.00 C ATOM 375 CD2 LEU A 23 9.990 3.123 5.391 1.00 0.00 C ATOM 0 H LEU A 23 7.312 -0.381 5.977 1.00 0.00 H new ATOM 0 HA LEU A 23 10.108 -0.772 6.361 1.00 0.00 H new ATOM 0 HB2 LEU A 23 8.133 1.461 6.763 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.729 1.606 7.471 1.00 0.00 H new ATOM 0 HG LEU A 23 10.656 1.113 5.134 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.169 1.669 3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.615 0.226 4.138 1.00 0.00 H new ATOM 0 HD13 LEU A 23 7.797 1.787 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 23 10.380 3.461 4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 23 9.064 3.654 5.614 1.00 0.00 H new ATOM 0 HD23 LEU A 23 10.722 3.327 6.172 1.00 0.00 H new ATOM 387 N ASN A 24 8.458 -1.637 8.779 1.00 0.00 N ATOM 388 CA ASN A 24 8.433 -2.052 10.179 1.00 0.00 C ATOM 389 C ASN A 24 9.142 -3.393 10.383 1.00 0.00 C ATOM 390 O ASN A 24 8.543 -4.450 10.186 1.00 0.00 O ATOM 391 CB ASN A 24 6.993 -2.165 10.679 1.00 0.00 C ATOM 392 CG ASN A 24 6.308 -0.820 10.799 1.00 0.00 C ATOM 393 OD1 ASN A 24 5.670 -0.349 9.860 1.00 0.00 O ATOM 394 ND2 ASN A 24 6.434 -0.196 11.964 1.00 0.00 N ATOM 0 H ASN A 24 7.782 -2.117 8.185 1.00 0.00 H new ATOM 0 HA ASN A 24 8.962 -1.289 10.750 1.00 0.00 H new ATOM 0 HB2 ASN A 24 6.425 -2.798 9.997 1.00 0.00 H new ATOM 0 HB3 ASN A 24 6.988 -2.659 11.651 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.991 0.712 12.107 1.00 0.00 H new ATOM 0 HD22 ASN A 24 6.973 -0.624 12.716 1.00 0.00 H new ATOM 401 N PRO A 25 10.431 -3.369 10.773 1.00 0.00 N ATOM 402 CA PRO A 25 11.201 -4.593 11.024 1.00 0.00 C ATOM 403 C PRO A 25 10.637 -5.378 12.198 1.00 0.00 C ATOM 404 O PRO A 25 10.740 -6.604 12.252 1.00 0.00 O ATOM 405 CB PRO A 25 12.602 -4.086 11.376 1.00 0.00 C ATOM 406 CG PRO A 25 12.647 -2.678 10.891 1.00 0.00 C ATOM 407 CD PRO A 25 11.241 -2.162 10.986 1.00 0.00 C ATOM 0 HA PRO A 25 11.181 -5.264 10.165 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.780 -4.137 12.450 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.371 -4.692 10.896 1.00 0.00 H new ATOM 0 HG2 PRO A 25 13.325 -2.078 11.498 1.00 0.00 H new ATOM 0 HG3 PRO A 25 13.012 -2.630 9.865 1.00 0.00 H new ATOM 0 HD2 PRO A 25 11.042 -1.709 11.957 1.00 0.00 H new ATOM 0 HD3 PRO A 25 11.038 -1.402 10.232 1.00 0.00 H new ATOM 415 N ASN A 26 10.040 -4.652 13.133 1.00 0.00 N ATOM 416 CA ASN A 26 9.466 -5.277 14.313 1.00 0.00 C ATOM 417 C ASN A 26 7.945 -5.149 14.295 1.00 0.00 C ATOM 418 O ASN A 26 7.281 -5.311 15.318 1.00 0.00 O ATOM 419 CB ASN A 26 10.040 -4.632 15.579 1.00 0.00 C ATOM 420 CG ASN A 26 9.665 -5.381 16.844 1.00 0.00 C ATOM 421 OD1 ASN A 26 10.342 -6.332 17.237 1.00 0.00 O ATOM 422 ND2 ASN A 26 8.591 -4.951 17.494 1.00 0.00 N ATOM 0 H ASN A 26 9.942 -3.637 13.097 1.00 0.00 H new ATOM 0 HA ASN A 26 9.723 -6.336 14.310 1.00 0.00 H new ATOM 0 HB2 ASN A 26 11.126 -4.587 15.498 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.683 -3.605 15.651 1.00 0.00 H new ATOM 0 HD21 ASN A 26 8.297 -5.412 18.355 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.059 -4.159 17.133 1.00 0.00 H new ATOM 429 N GLY A 27 7.399 -4.874 13.114 1.00 0.00 N ATOM 430 CA GLY A 27 5.961 -4.726 13.004 1.00 0.00 C ATOM 431 C GLY A 27 5.299 -5.938 12.381 1.00 0.00 C ATOM 432 O GLY A 27 5.225 -6.998 13.001 1.00 0.00 O ATOM 0 H GLY A 27 7.918 -4.753 12.244 1.00 0.00 H new ATOM 0 HA2 GLY A 27 5.540 -4.555 13.995 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.735 -3.844 12.405 1.00 0.00 H new ATOM 436 N HIS A 28 4.818 -5.781 11.152 1.00 0.00 N ATOM 437 CA HIS A 28 4.160 -6.881 10.459 1.00 0.00 C ATOM 438 C HIS A 28 4.834 -7.183 9.124 1.00 0.00 C ATOM 439 O HIS A 28 4.778 -8.311 8.640 1.00 0.00 O ATOM 440 CB HIS A 28 2.682 -6.556 10.234 1.00 0.00 C ATOM 441 CG HIS A 28 1.915 -6.341 11.501 1.00 0.00 C ATOM 442 ND1 HIS A 28 1.104 -7.305 12.063 1.00 0.00 N ATOM 443 CD2 HIS A 28 1.837 -5.264 12.318 1.00 0.00 C ATOM 444 CE1 HIS A 28 0.559 -6.829 13.169 1.00 0.00 C ATOM 445 NE2 HIS A 28 0.988 -5.593 13.346 1.00 0.00 N ATOM 0 H HIS A 28 4.871 -4.912 10.621 1.00 0.00 H new ATOM 0 HA HIS A 28 4.244 -7.767 11.088 1.00 0.00 H new ATOM 0 HB2 HIS A 28 2.606 -5.661 9.617 1.00 0.00 H new ATOM 0 HB3 HIS A 28 2.221 -7.370 9.674 1.00 0.00 H new ATOM 0 HD2 HIS A 28 2.348 -4.322 12.186 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -0.121 -7.361 13.818 1.00 0.00 H new ATOM 0 HE2 HIS A 28 0.731 -4.982 14.121 1.00 0.00 H new ATOM 454 N HIS A 29 5.469 -6.171 8.533 1.00 0.00 N ATOM 455 CA HIS A 29 6.149 -6.333 7.247 1.00 0.00 C ATOM 456 C HIS A 29 5.133 -6.625 6.141 1.00 0.00 C ATOM 457 O HIS A 29 5.496 -6.917 5.001 1.00 0.00 O ATOM 458 CB HIS A 29 7.186 -7.459 7.332 1.00 0.00 C ATOM 459 CG HIS A 29 8.086 -7.551 6.138 1.00 0.00 C ATOM 460 ND1 HIS A 29 7.863 -8.423 5.094 1.00 0.00 N ATOM 461 CD2 HIS A 29 9.221 -6.881 5.831 1.00 0.00 C ATOM 462 CE1 HIS A 29 8.823 -8.288 4.196 1.00 0.00 C ATOM 463 NE2 HIS A 29 9.659 -7.357 4.619 1.00 0.00 N ATOM 0 H HIS A 29 5.527 -5.231 8.924 1.00 0.00 H new ATOM 0 HA HIS A 29 6.665 -5.404 7.006 1.00 0.00 H new ATOM 0 HB2 HIS A 29 7.796 -7.311 8.223 1.00 0.00 H new ATOM 0 HB3 HIS A 29 6.666 -8.409 7.456 1.00 0.00 H new ATOM 0 HD2 HIS A 29 9.694 -6.115 6.427 1.00 0.00 H new ATOM 0 HE1 HIS A 29 8.909 -8.844 3.274 1.00 0.00 H new ATOM 0 HE2 HIS A 29 10.495 -7.042 4.126 1.00 0.00 H new ATOM 472 N PHE A 30 3.856 -6.530 6.496 1.00 0.00 N ATOM 473 CA PHE A 30 2.758 -6.780 5.562 1.00 0.00 C ATOM 474 C PHE A 30 1.423 -6.412 6.196 1.00 0.00 C ATOM 475 O PHE A 30 1.370 -6.004 7.357 1.00 0.00 O ATOM 476 CB PHE A 30 2.725 -8.251 5.122 1.00 0.00 C ATOM 477 CG PHE A 30 2.715 -9.237 6.259 1.00 0.00 C ATOM 478 CD1 PHE A 30 1.608 -9.355 7.086 1.00 0.00 C ATOM 479 CD2 PHE A 30 3.813 -10.049 6.498 1.00 0.00 C ATOM 480 CE1 PHE A 30 1.596 -10.262 8.127 1.00 0.00 C ATOM 481 CE2 PHE A 30 3.805 -10.959 7.539 1.00 0.00 C ATOM 482 CZ PHE A 30 2.695 -11.065 8.354 1.00 0.00 C ATOM 0 H PHE A 30 3.551 -6.278 7.436 1.00 0.00 H new ATOM 0 HA PHE A 30 2.927 -6.157 4.684 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.840 -8.414 4.507 1.00 0.00 H new ATOM 0 HB3 PHE A 30 3.592 -8.449 4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.745 -8.730 6.914 1.00 0.00 H new ATOM 0 HD2 PHE A 30 4.684 -9.970 5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.727 -10.343 8.763 1.00 0.00 H new ATOM 0 HE2 PHE A 30 4.666 -11.587 7.715 1.00 0.00 H new ATOM 0 HZ PHE A 30 2.687 -11.775 9.168 1.00 0.00 H new ATOM 492 N LEU A 31 0.345 -6.570 5.435 1.00 0.00 N ATOM 493 CA LEU A 31 -0.981 -6.256 5.939 1.00 0.00 C ATOM 494 C LEU A 31 -2.044 -7.123 5.271 1.00 0.00 C ATOM 495 O LEU A 31 -1.987 -7.374 4.066 1.00 0.00 O ATOM 496 CB LEU A 31 -1.297 -4.781 5.698 1.00 0.00 C ATOM 497 CG LEU A 31 -0.582 -3.795 6.623 1.00 0.00 C ATOM 498 CD1 LEU A 31 -0.847 -2.365 6.181 1.00 0.00 C ATOM 499 CD2 LEU A 31 -1.027 -3.999 8.064 1.00 0.00 C ATOM 0 H LEU A 31 0.366 -6.911 4.474 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.991 -6.462 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.041 -4.536 4.667 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.372 -4.636 5.802 1.00 0.00 H new ATOM 0 HG LEU A 31 0.490 -3.981 6.564 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.331 -1.676 6.850 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.482 -2.225 5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.918 -2.167 6.212 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.509 -3.289 8.709 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.103 -3.839 8.139 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -0.789 -5.015 8.378 1.00 0.00 H new ATOM 511 N THR A 32 -3.009 -7.581 6.064 1.00 0.00 N ATOM 512 CA THR A 32 -4.095 -8.400 5.540 1.00 0.00 C ATOM 513 C THR A 32 -5.101 -7.519 4.813 1.00 0.00 C ATOM 514 O THR A 32 -5.137 -6.311 5.034 1.00 0.00 O ATOM 515 CB THR A 32 -4.817 -9.176 6.659 1.00 0.00 C ATOM 516 OG1 THR A 32 -5.434 -8.259 7.570 1.00 0.00 O ATOM 517 CG2 THR A 32 -3.845 -10.070 7.413 1.00 0.00 C ATOM 0 H THR A 32 -3.060 -7.400 7.066 1.00 0.00 H new ATOM 0 HA THR A 32 -3.659 -9.123 4.850 1.00 0.00 H new ATOM 0 HB THR A 32 -5.581 -9.804 6.201 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.892 -8.759 8.277 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.378 -10.607 8.197 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.398 -10.785 6.723 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.061 -9.459 7.860 1.00 0.00 H new ATOM 525 N LYS A 33 -5.933 -8.124 3.970 1.00 0.00 N ATOM 526 CA LYS A 33 -6.921 -7.365 3.208 1.00 0.00 C ATOM 527 C LYS A 33 -7.756 -6.484 4.134 1.00 0.00 C ATOM 528 O LYS A 33 -8.019 -5.322 3.829 1.00 0.00 O ATOM 529 CB LYS A 33 -7.831 -8.319 2.425 1.00 0.00 C ATOM 530 CG LYS A 33 -8.364 -7.738 1.121 1.00 0.00 C ATOM 531 CD LYS A 33 -9.303 -6.565 1.359 1.00 0.00 C ATOM 532 CE LYS A 33 -9.837 -6.004 0.050 1.00 0.00 C ATOM 533 NZ LYS A 33 -10.608 -7.022 -0.717 1.00 0.00 N ATOM 0 H LYS A 33 -5.944 -9.129 3.798 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.393 -6.722 2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -7.278 -9.232 2.205 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.674 -8.601 3.056 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.528 -7.413 0.501 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.889 -8.515 0.566 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -10.136 -6.885 1.985 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.777 -5.781 1.904 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.475 -5.145 0.257 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.006 -5.645 -0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.135 -6.554 -1.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.953 -7.719 -1.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.275 -7.504 -0.081 1.00 0.00 H new ATOM 547 N GLU A 34 -8.155 -7.040 5.271 1.00 0.00 N ATOM 548 CA GLU A 34 -8.956 -6.300 6.238 1.00 0.00 C ATOM 549 C GLU A 34 -8.170 -5.127 6.820 1.00 0.00 C ATOM 550 O GLU A 34 -8.727 -4.058 7.068 1.00 0.00 O ATOM 551 CB GLU A 34 -9.401 -7.231 7.366 1.00 0.00 C ATOM 552 CG GLU A 34 -10.105 -8.486 6.878 1.00 0.00 C ATOM 553 CD GLU A 34 -11.423 -8.188 6.190 1.00 0.00 C ATOM 554 OE1 GLU A 34 -11.418 -7.988 4.958 1.00 0.00 O ATOM 555 OE2 GLU A 34 -12.460 -8.155 6.886 1.00 0.00 O ATOM 0 H GLU A 34 -7.938 -7.998 5.546 1.00 0.00 H new ATOM 0 HA GLU A 34 -9.831 -5.905 5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.529 -7.519 7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -10.069 -6.686 8.033 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -9.452 -9.019 6.187 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -10.283 -9.150 7.724 1.00 0.00 H new ATOM 562 N GLU A 35 -6.874 -5.334 7.031 1.00 0.00 N ATOM 563 CA GLU A 35 -6.028 -4.287 7.596 1.00 0.00 C ATOM 564 C GLU A 35 -5.756 -3.177 6.586 1.00 0.00 C ATOM 565 O GLU A 35 -5.528 -2.032 6.964 1.00 0.00 O ATOM 566 CB GLU A 35 -4.705 -4.877 8.088 1.00 0.00 C ATOM 567 CG GLU A 35 -4.861 -5.803 9.284 1.00 0.00 C ATOM 568 CD GLU A 35 -3.541 -6.392 9.741 1.00 0.00 C ATOM 569 OE1 GLU A 35 -3.164 -7.470 9.233 1.00 0.00 O ATOM 570 OE2 GLU A 35 -2.885 -5.777 10.608 1.00 0.00 O ATOM 0 H GLU A 35 -6.390 -6.207 6.822 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.565 -3.852 8.439 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.236 -5.426 7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.030 -4.063 8.354 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.314 -5.252 10.109 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.546 -6.611 9.026 1.00 0.00 H new ATOM 577 N LEU A 36 -5.777 -3.521 5.301 1.00 0.00 N ATOM 578 CA LEU A 36 -5.521 -2.543 4.248 1.00 0.00 C ATOM 579 C LEU A 36 -6.590 -1.457 4.230 1.00 0.00 C ATOM 580 O LEU A 36 -6.280 -0.269 4.180 1.00 0.00 O ATOM 581 CB LEU A 36 -5.462 -3.238 2.890 1.00 0.00 C ATOM 582 CG LEU A 36 -4.487 -4.409 2.812 1.00 0.00 C ATOM 583 CD1 LEU A 36 -4.630 -5.164 1.501 1.00 0.00 C ATOM 584 CD2 LEU A 36 -3.061 -3.923 2.997 1.00 0.00 C ATOM 0 H LEU A 36 -5.968 -4.465 4.965 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.561 -2.070 4.454 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -6.460 -3.597 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -5.187 -2.503 2.133 1.00 0.00 H new ATOM 0 HG LEU A 36 -4.729 -5.100 3.619 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -3.921 -5.992 1.479 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -5.645 -5.553 1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -4.427 -4.490 0.669 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.377 -4.770 2.939 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.817 -3.205 2.214 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.963 -3.444 3.971 1.00 0.00 H new ATOM 596 N LEU A 37 -7.848 -1.877 4.262 1.00 0.00 N ATOM 597 CA LEU A 37 -8.972 -0.947 4.252 1.00 0.00 C ATOM 598 C LEU A 37 -8.859 0.079 5.379 1.00 0.00 C ATOM 599 O LEU A 37 -9.074 1.273 5.167 1.00 0.00 O ATOM 600 CB LEU A 37 -10.294 -1.714 4.373 1.00 0.00 C ATOM 601 CG LEU A 37 -10.840 -2.296 3.065 1.00 0.00 C ATOM 602 CD1 LEU A 37 -11.117 -1.191 2.058 1.00 0.00 C ATOM 603 CD2 LEU A 37 -9.872 -3.317 2.486 1.00 0.00 C ATOM 0 H LEU A 37 -8.117 -2.860 4.295 1.00 0.00 H new ATOM 0 HA LEU A 37 -8.951 -0.410 3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -10.158 -2.529 5.084 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -11.045 -1.045 4.794 1.00 0.00 H new ATOM 0 HG LEU A 37 -11.780 -2.801 3.285 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -11.504 -1.627 1.137 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.853 -0.500 2.469 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.193 -0.653 1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.279 -3.718 1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.914 -2.837 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -9.729 -4.128 3.200 1.00 0.00 H new ATOM 615 N GLN A 38 -8.521 -0.392 6.575 1.00 0.00 N ATOM 616 CA GLN A 38 -8.388 0.491 7.731 1.00 0.00 C ATOM 617 C GLN A 38 -7.119 1.335 7.634 1.00 0.00 C ATOM 618 O GLN A 38 -7.135 2.535 7.910 1.00 0.00 O ATOM 619 CB GLN A 38 -8.373 -0.326 9.024 1.00 0.00 C ATOM 620 CG GLN A 38 -8.264 0.523 10.281 1.00 0.00 C ATOM 621 CD GLN A 38 -8.247 -0.310 11.548 1.00 0.00 C ATOM 622 OE1 GLN A 38 -7.187 -0.715 12.024 1.00 0.00 O ATOM 623 NE2 GLN A 38 -9.427 -0.569 12.100 1.00 0.00 N ATOM 0 H GLN A 38 -8.335 -1.376 6.770 1.00 0.00 H new ATOM 0 HA GLN A 38 -9.247 1.162 7.742 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -9.283 -0.923 9.077 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -7.536 -1.023 8.993 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -7.355 1.122 10.232 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -9.102 1.218 10.319 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.280 -0.212 11.670 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -9.480 -1.125 12.954 1.00 0.00 H new ATOM 632 N ARG A 39 -6.024 0.695 7.247 1.00 0.00 N ATOM 633 CA ARG A 39 -4.743 1.368 7.113 1.00 0.00 C ATOM 634 C ARG A 39 -4.829 2.547 6.148 1.00 0.00 C ATOM 635 O ARG A 39 -4.481 3.676 6.489 1.00 0.00 O ATOM 636 CB ARG A 39 -3.711 0.367 6.611 1.00 0.00 C ATOM 637 CG ARG A 39 -2.294 0.724 6.986 1.00 0.00 C ATOM 638 CD ARG A 39 -1.997 0.355 8.426 1.00 0.00 C ATOM 639 NE ARG A 39 -2.706 1.209 9.376 1.00 0.00 N ATOM 640 CZ ARG A 39 -2.722 0.998 10.689 1.00 0.00 C ATOM 641 NH1 ARG A 39 -2.071 -0.036 11.205 1.00 0.00 N ATOM 642 NH2 ARG A 39 -3.390 1.820 11.486 1.00 0.00 N ATOM 0 H ARG A 39 -6.000 -0.299 7.019 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.451 1.758 8.088 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -3.947 -0.618 7.012 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.784 0.295 5.526 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.599 0.207 6.325 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.135 1.793 6.842 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.276 -0.685 8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.924 0.430 8.604 1.00 0.00 H new ATOM 0 HE ARG A 39 -3.218 2.013 9.012 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.557 -0.671 10.595 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.085 -0.196 12.212 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.893 2.616 11.092 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.401 1.657 12.493 1.00 0.00 H new ATOM 656 N CYS A 40 -5.309 2.264 4.946 1.00 0.00 N ATOM 657 CA CYS A 40 -5.452 3.281 3.909 1.00 0.00 C ATOM 658 C CYS A 40 -6.355 4.420 4.369 1.00 0.00 C ATOM 659 O CYS A 40 -6.198 5.558 3.932 1.00 0.00 O ATOM 660 CB CYS A 40 -6.004 2.660 2.628 1.00 0.00 C ATOM 661 SG CYS A 40 -4.926 1.405 1.909 1.00 0.00 S ATOM 0 H CYS A 40 -5.609 1.332 4.661 1.00 0.00 H new ATOM 0 HA CYS A 40 -4.463 3.693 3.709 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -6.976 2.214 2.840 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -6.169 3.449 1.894 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.648 0.494 1.327 1.00 0.00 H new ATOM 667 N ALA A 41 -7.313 4.101 5.233 1.00 0.00 N ATOM 668 CA ALA A 41 -8.241 5.103 5.748 1.00 0.00 C ATOM 669 C ALA A 41 -7.511 6.271 6.413 1.00 0.00 C ATOM 670 O ALA A 41 -8.138 7.253 6.811 1.00 0.00 O ATOM 671 CB ALA A 41 -9.215 4.466 6.727 1.00 0.00 C ATOM 0 H ALA A 41 -7.468 3.159 5.591 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.794 5.503 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.901 5.225 7.103 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -9.781 3.684 6.220 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.662 4.032 7.560 1.00 0.00 H new ATOM 677 N GLN A 42 -6.188 6.168 6.532 1.00 0.00 N ATOM 678 CA GLN A 42 -5.430 7.248 7.151 1.00 0.00 C ATOM 679 C GLN A 42 -4.807 8.123 6.067 1.00 0.00 C ATOM 680 O GLN A 42 -4.492 9.292 6.294 1.00 0.00 O ATOM 681 CB GLN A 42 -4.336 6.684 8.061 1.00 0.00 C ATOM 682 CG GLN A 42 -4.870 5.806 9.180 1.00 0.00 C ATOM 683 CD GLN A 42 -3.768 5.263 10.070 1.00 0.00 C ATOM 684 OE1 GLN A 42 -3.397 5.883 11.067 1.00 0.00 O ATOM 685 NE2 GLN A 42 -3.238 4.100 9.711 1.00 0.00 N ATOM 0 H GLN A 42 -5.634 5.371 6.217 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.107 7.850 7.758 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.636 6.105 7.458 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -3.774 7.511 8.496 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.571 6.381 9.785 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -5.428 4.974 8.750 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -3.577 3.621 8.877 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.492 3.685 10.270 1.00 0.00 H new ATOM 694 N LYS A 43 -4.634 7.528 4.887 1.00 0.00 N ATOM 695 CA LYS A 43 -4.063 8.214 3.731 1.00 0.00 C ATOM 696 C LYS A 43 -4.642 9.614 3.579 1.00 0.00 C ATOM 697 O LYS A 43 -3.928 10.611 3.681 1.00 0.00 O ATOM 698 CB LYS A 43 -4.350 7.411 2.469 1.00 0.00 C ATOM 699 CG LYS A 43 -3.639 7.939 1.240 1.00 0.00 C ATOM 700 CD LYS A 43 -3.122 6.797 0.396 1.00 0.00 C ATOM 701 CE LYS A 43 -2.342 7.287 -0.809 1.00 0.00 C ATOM 702 NZ LYS A 43 -3.161 8.174 -1.681 1.00 0.00 N ATOM 0 H LYS A 43 -4.886 6.556 4.707 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.987 8.301 3.884 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.054 6.375 2.633 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.424 7.411 2.285 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.322 8.553 0.653 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.811 8.581 1.540 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -2.484 6.157 1.005 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.960 6.186 0.061 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.457 7.827 -0.473 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.993 6.431 -1.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -3.026 7.904 -2.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.165 8.077 -1.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.865 9.162 -1.547 1.00 0.00 H new ATOM 716 N SER A 44 -5.946 9.675 3.336 1.00 0.00 N ATOM 717 CA SER A 44 -6.637 10.944 3.161 1.00 0.00 C ATOM 718 C SER A 44 -8.123 10.800 3.489 1.00 0.00 C ATOM 719 O SER A 44 -8.763 9.839 3.066 1.00 0.00 O ATOM 720 CB SER A 44 -6.464 11.434 1.723 1.00 0.00 C ATOM 721 OG SER A 44 -5.113 11.776 1.460 1.00 0.00 O ATOM 0 H SER A 44 -6.547 8.855 3.256 1.00 0.00 H new ATOM 0 HA SER A 44 -6.203 11.673 3.845 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.788 10.658 1.029 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.102 12.301 1.552 1.00 0.00 H new ATOM 0 HG SER A 44 -4.562 11.557 2.240 1.00 0.00 H new ATOM 727 N PRO A 45 -8.695 11.755 4.248 1.00 0.00 N ATOM 728 CA PRO A 45 -10.115 11.717 4.620 1.00 0.00 C ATOM 729 C PRO A 45 -11.024 11.655 3.398 1.00 0.00 C ATOM 730 O PRO A 45 -12.184 11.251 3.494 1.00 0.00 O ATOM 731 CB PRO A 45 -10.327 13.032 5.378 1.00 0.00 C ATOM 732 CG PRO A 45 -8.971 13.425 5.851 1.00 0.00 C ATOM 733 CD PRO A 45 -8.012 12.937 4.804 1.00 0.00 C ATOM 0 HA PRO A 45 -10.359 10.832 5.208 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -10.756 13.796 4.730 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -11.014 12.900 6.214 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -8.898 14.506 5.974 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -8.751 12.978 6.821 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.830 13.693 4.041 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -7.044 12.678 5.233 1.00 0.00 H new ATOM 741 N ARG A 46 -10.487 12.064 2.252 1.00 0.00 N ATOM 742 CA ARG A 46 -11.254 12.048 1.010 1.00 0.00 C ATOM 743 C ARG A 46 -11.854 10.666 0.749 1.00 0.00 C ATOM 744 O ARG A 46 -12.775 10.521 -0.055 1.00 0.00 O ATOM 745 CB ARG A 46 -10.365 12.464 -0.165 1.00 0.00 C ATOM 746 CG ARG A 46 -11.096 12.554 -1.498 1.00 0.00 C ATOM 747 CD ARG A 46 -12.080 13.716 -1.531 1.00 0.00 C ATOM 748 NE ARG A 46 -13.221 13.501 -0.644 1.00 0.00 N ATOM 749 CZ ARG A 46 -14.137 14.429 -0.384 1.00 0.00 C ATOM 750 NH1 ARG A 46 -14.049 15.629 -0.941 1.00 0.00 N ATOM 751 NH2 ARG A 46 -15.146 14.155 0.434 1.00 0.00 N ATOM 0 H ARG A 46 -9.531 12.408 2.157 1.00 0.00 H new ATOM 0 HA ARG A 46 -12.073 12.761 1.110 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -9.917 13.433 0.057 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -9.548 11.749 -0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.370 12.671 -2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.630 11.622 -1.683 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -11.566 14.633 -1.243 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -12.437 13.858 -2.551 1.00 0.00 H new ATOM 0 HE ARG A 46 -13.320 12.588 -0.200 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -13.276 15.843 -1.572 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -14.754 16.338 -0.739 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.219 13.233 0.863 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.849 14.867 0.633 1.00 0.00 H new ATOM 765 N VAL A 47 -11.330 9.654 1.437 1.00 0.00 N ATOM 766 CA VAL A 47 -11.819 8.290 1.280 1.00 0.00 C ATOM 767 C VAL A 47 -13.187 8.115 1.937 1.00 0.00 C ATOM 768 O VAL A 47 -13.730 7.011 1.975 1.00 0.00 O ATOM 769 CB VAL A 47 -10.839 7.265 1.885 1.00 0.00 C ATOM 770 CG1 VAL A 47 -9.464 7.393 1.244 1.00 0.00 C ATOM 771 CG2 VAL A 47 -10.749 7.434 3.395 1.00 0.00 C ATOM 0 H VAL A 47 -10.568 9.755 2.107 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.906 8.110 0.209 1.00 0.00 H new ATOM 0 HB VAL A 47 -11.219 6.265 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -8.787 6.661 1.685 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -9.544 7.213 0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.075 8.396 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -10.052 6.701 3.802 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -10.396 8.439 3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -11.734 7.283 3.837 1.00 0.00 H new ATOM 781 N ALA A 48 -13.737 9.217 2.446 1.00 0.00 N ATOM 782 CA ALA A 48 -15.042 9.186 3.103 1.00 0.00 C ATOM 783 C ALA A 48 -15.026 8.286 4.340 1.00 0.00 C ATOM 784 O ALA A 48 -14.181 7.399 4.459 1.00 0.00 O ATOM 785 CB ALA A 48 -16.114 8.729 2.124 1.00 0.00 C ATOM 0 H ALA A 48 -13.301 10.139 2.416 1.00 0.00 H new ATOM 0 HA ALA A 48 -15.274 10.198 3.435 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -17.081 8.710 2.626 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -16.156 9.420 1.282 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -15.874 7.729 1.762 1.00 0.00 H new ATOM 791 N PRO A 49 -15.961 8.508 5.284 1.00 0.00 N ATOM 792 CA PRO A 49 -16.049 7.706 6.511 1.00 0.00 C ATOM 793 C PRO A 49 -16.161 6.213 6.220 1.00 0.00 C ATOM 794 O PRO A 49 -15.345 5.416 6.684 1.00 0.00 O ATOM 795 CB PRO A 49 -17.326 8.216 7.185 1.00 0.00 C ATOM 796 CG PRO A 49 -17.520 9.589 6.643 1.00 0.00 C ATOM 797 CD PRO A 49 -16.999 9.555 5.235 1.00 0.00 C ATOM 0 HA PRO A 49 -15.157 7.811 7.128 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -18.178 7.576 6.955 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -17.222 8.230 8.270 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -18.573 9.871 6.663 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -16.981 10.324 7.241 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -17.785 9.309 4.521 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -16.586 10.518 4.935 1.00 0.00 H new ATOM 805 N GLY A 50 -17.177 5.842 5.447 1.00 0.00 N ATOM 806 CA GLY A 50 -17.378 4.446 5.104 1.00 0.00 C ATOM 807 C GLY A 50 -17.426 4.220 3.607 1.00 0.00 C ATOM 808 O GLY A 50 -18.464 4.419 2.976 1.00 0.00 O ATOM 0 H GLY A 50 -17.865 6.483 5.052 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -16.573 3.850 5.533 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -18.308 4.095 5.552 1.00 0.00 H new ATOM 812 N SER A 51 -16.300 3.804 3.036 1.00 0.00 N ATOM 813 CA SER A 51 -16.216 3.554 1.602 1.00 0.00 C ATOM 814 C SER A 51 -15.254 2.411 1.300 1.00 0.00 C ATOM 815 O SER A 51 -14.227 2.257 1.961 1.00 0.00 O ATOM 816 CB SER A 51 -15.765 4.820 0.871 1.00 0.00 C ATOM 817 OG SER A 51 -16.737 5.846 0.979 1.00 0.00 O ATOM 0 H SER A 51 -15.433 3.633 3.545 1.00 0.00 H new ATOM 0 HA SER A 51 -17.208 3.270 1.251 1.00 0.00 H new ATOM 0 HB2 SER A 51 -14.819 5.166 1.287 1.00 0.00 H new ATOM 0 HB3 SER A 51 -15.587 4.593 -0.180 1.00 0.00 H new ATOM 0 HG SER A 51 -16.594 6.508 0.270 1.00 0.00 H new ATOM 823 N ALA A 52 -15.596 1.610 0.295 1.00 0.00 N ATOM 824 CA ALA A 52 -14.762 0.481 -0.102 1.00 0.00 C ATOM 825 C ALA A 52 -14.582 0.442 -1.618 1.00 0.00 C ATOM 826 O ALA A 52 -15.244 -0.332 -2.310 1.00 0.00 O ATOM 827 CB ALA A 52 -15.363 -0.824 0.398 1.00 0.00 C ATOM 0 H ALA A 52 -16.445 1.722 -0.259 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.779 0.608 0.352 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.729 -1.657 0.094 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -15.433 -0.799 1.486 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -16.359 -0.952 -0.026 1.00 0.00 H new ATOM 833 N PRO A 53 -13.687 1.291 -2.155 1.00 0.00 N ATOM 834 CA PRO A 53 -13.418 1.352 -3.597 1.00 0.00 C ATOM 835 C PRO A 53 -12.852 0.040 -4.135 1.00 0.00 C ATOM 836 O PRO A 53 -12.444 -0.828 -3.362 1.00 0.00 O ATOM 837 CB PRO A 53 -12.377 2.474 -3.728 1.00 0.00 C ATOM 838 CG PRO A 53 -12.473 3.249 -2.459 1.00 0.00 C ATOM 839 CD PRO A 53 -12.875 2.262 -1.404 1.00 0.00 C ATOM 0 HA PRO A 53 -14.328 1.531 -4.170 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.375 2.067 -3.866 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.586 3.106 -4.591 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -11.519 3.716 -2.214 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.208 4.050 -2.545 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -12.008 1.791 -0.940 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -13.447 2.735 -0.605 1.00 0.00 H new ATOM 847 N PRO A 54 -12.826 -0.127 -5.473 1.00 0.00 N ATOM 848 CA PRO A 54 -12.297 -1.340 -6.107 1.00 0.00 C ATOM 849 C PRO A 54 -10.903 -1.689 -5.608 1.00 0.00 C ATOM 850 O PRO A 54 -9.956 -0.925 -5.798 1.00 0.00 O ATOM 851 CB PRO A 54 -12.256 -0.975 -7.593 1.00 0.00 C ATOM 852 CG PRO A 54 -13.302 0.072 -7.754 1.00 0.00 C ATOM 853 CD PRO A 54 -13.315 0.847 -6.467 1.00 0.00 C ATOM 0 HA PRO A 54 -12.907 -2.216 -5.886 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.274 -0.601 -7.882 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -12.464 -1.842 -8.220 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -13.076 0.723 -8.599 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -14.276 -0.377 -7.949 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -12.670 1.724 -6.520 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -14.316 1.202 -6.222 1.00 0.00 H new ATOM 861 N TRP A 55 -10.780 -2.848 -4.967 1.00 0.00 N ATOM 862 CA TRP A 55 -9.491 -3.283 -4.450 1.00 0.00 C ATOM 863 C TRP A 55 -9.004 -4.616 -5.042 1.00 0.00 C ATOM 864 O TRP A 55 -8.042 -5.187 -4.527 1.00 0.00 O ATOM 865 CB TRP A 55 -9.527 -3.357 -2.925 1.00 0.00 C ATOM 866 CG TRP A 55 -8.947 -2.132 -2.295 1.00 0.00 C ATOM 867 CD1 TRP A 55 -9.418 -0.856 -2.408 1.00 0.00 C ATOM 868 CD2 TRP A 55 -7.776 -2.057 -1.476 1.00 0.00 C ATOM 869 NE1 TRP A 55 -8.607 0.009 -1.718 1.00 0.00 N ATOM 870 CE2 TRP A 55 -7.594 -0.704 -1.135 1.00 0.00 C ATOM 871 CE3 TRP A 55 -6.861 -3.000 -0.993 1.00 0.00 C ATOM 872 CZ2 TRP A 55 -6.537 -0.274 -0.342 1.00 0.00 C ATOM 873 CZ3 TRP A 55 -5.819 -2.564 -0.208 1.00 0.00 C ATOM 874 CH2 TRP A 55 -5.662 -1.216 0.110 1.00 0.00 C ATOM 0 H TRP A 55 -11.550 -3.495 -4.796 1.00 0.00 H new ATOM 0 HA TRP A 55 -8.768 -2.531 -4.765 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -10.557 -3.484 -2.592 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -8.973 -4.234 -2.591 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -10.301 -0.569 -2.960 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -8.737 1.018 -1.650 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -6.971 -4.048 -1.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -6.413 0.770 -0.093 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.107 -3.282 0.170 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -4.830 -0.912 0.727 1.00 0.00 H new ATOM 885 N PRO A 56 -9.627 -5.147 -6.122 1.00 0.00 N ATOM 886 CA PRO A 56 -9.155 -6.387 -6.732 1.00 0.00 C ATOM 887 C PRO A 56 -7.895 -6.121 -7.542 1.00 0.00 C ATOM 888 O PRO A 56 -7.299 -7.027 -8.123 1.00 0.00 O ATOM 889 CB PRO A 56 -10.308 -6.805 -7.643 1.00 0.00 C ATOM 890 CG PRO A 56 -10.971 -5.527 -8.014 1.00 0.00 C ATOM 891 CD PRO A 56 -10.807 -4.608 -6.831 1.00 0.00 C ATOM 0 HA PRO A 56 -8.899 -7.156 -6.003 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -9.946 -7.335 -8.524 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.997 -7.475 -7.129 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -10.516 -5.097 -8.906 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.025 -5.687 -8.239 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -10.647 -3.577 -7.146 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.692 -4.614 -6.195 1.00 0.00 H new ATOM 899 N ALA A 57 -7.509 -4.847 -7.563 1.00 0.00 N ATOM 900 CA ALA A 57 -6.327 -4.394 -8.279 1.00 0.00 C ATOM 901 C ALA A 57 -5.073 -5.097 -7.774 1.00 0.00 C ATOM 902 O ALA A 57 -4.088 -5.223 -8.500 1.00 0.00 O ATOM 903 CB ALA A 57 -6.192 -2.885 -8.136 1.00 0.00 C ATOM 0 H ALA A 57 -8.011 -4.101 -7.082 1.00 0.00 H new ATOM 0 HA ALA A 57 -6.441 -4.645 -9.334 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.306 -2.546 -8.673 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -7.075 -2.400 -8.551 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.098 -2.626 -7.081 1.00 0.00 H new ATOM 909 N LEU A 58 -5.114 -5.551 -6.524 1.00 0.00 N ATOM 910 CA LEU A 58 -3.979 -6.248 -5.930 1.00 0.00 C ATOM 911 C LEU A 58 -3.541 -7.409 -6.811 1.00 0.00 C ATOM 912 O LEU A 58 -2.364 -7.542 -7.136 1.00 0.00 O ATOM 913 CB LEU A 58 -4.331 -6.755 -4.530 1.00 0.00 C ATOM 914 CG LEU A 58 -4.012 -5.785 -3.390 1.00 0.00 C ATOM 915 CD1 LEU A 58 -2.514 -5.538 -3.312 1.00 0.00 C ATOM 916 CD2 LEU A 58 -4.764 -4.475 -3.573 1.00 0.00 C ATOM 0 H LEU A 58 -5.919 -5.449 -5.905 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.153 -5.541 -5.848 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.396 -6.988 -4.502 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.796 -7.688 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.338 -6.234 -2.452 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.301 -4.846 -2.497 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.999 -6.481 -3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.167 -5.109 -4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.523 -3.800 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -4.472 -4.017 -4.518 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.837 -4.669 -3.580 1.00 0.00 H new ATOM 928 N ARG A 59 -4.499 -8.245 -7.197 1.00 0.00 N ATOM 929 CA ARG A 59 -4.216 -9.387 -8.056 1.00 0.00 C ATOM 930 C ARG A 59 -3.487 -8.940 -9.318 1.00 0.00 C ATOM 931 O ARG A 59 -2.674 -9.677 -9.875 1.00 0.00 O ATOM 932 CB ARG A 59 -5.514 -10.106 -8.431 1.00 0.00 C ATOM 933 CG ARG A 59 -6.287 -10.634 -7.233 1.00 0.00 C ATOM 934 CD ARG A 59 -7.563 -11.339 -7.663 1.00 0.00 C ATOM 935 NE ARG A 59 -8.320 -11.848 -6.522 1.00 0.00 N ATOM 936 CZ ARG A 59 -9.484 -12.481 -6.633 1.00 0.00 C ATOM 937 NH1 ARG A 59 -10.023 -12.684 -7.828 1.00 0.00 N ATOM 938 NH2 ARG A 59 -10.110 -12.914 -5.547 1.00 0.00 N ATOM 0 H ARG A 59 -5.478 -8.152 -6.928 1.00 0.00 H new ATOM 0 HA ARG A 59 -3.575 -10.077 -7.507 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.151 -9.420 -8.990 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.280 -10.937 -9.096 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -5.660 -11.325 -6.669 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -6.533 -9.809 -6.564 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -8.185 -10.647 -8.231 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -7.314 -12.165 -8.330 1.00 0.00 H new ATOM 0 HE ARG A 59 -7.934 -11.710 -5.588 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -9.544 -12.354 -8.666 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -10.916 -13.170 -7.909 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.699 -12.761 -4.626 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.003 -13.400 -5.633 1.00 0.00 H new ATOM 952 N SER A 60 -3.785 -7.721 -9.761 1.00 0.00 N ATOM 953 CA SER A 60 -3.155 -7.174 -10.956 1.00 0.00 C ATOM 954 C SER A 60 -1.702 -6.793 -10.686 1.00 0.00 C ATOM 955 O SER A 60 -0.825 -7.037 -11.515 1.00 0.00 O ATOM 956 CB SER A 60 -3.930 -5.953 -11.458 1.00 0.00 C ATOM 957 OG SER A 60 -5.273 -6.290 -11.759 1.00 0.00 O ATOM 0 H SER A 60 -4.456 -7.097 -9.312 1.00 0.00 H new ATOM 0 HA SER A 60 -3.171 -7.946 -11.725 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.909 -5.169 -10.701 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.445 -5.551 -12.347 1.00 0.00 H new ATOM 0 HG SER A 60 -5.747 -5.493 -12.076 1.00 0.00 H new ATOM 963 N LEU A 61 -1.450 -6.190 -9.525 1.00 0.00 N ATOM 964 CA LEU A 61 -0.096 -5.784 -9.164 1.00 0.00 C ATOM 965 C LEU A 61 0.768 -6.992 -8.817 1.00 0.00 C ATOM 966 O LEU A 61 1.956 -7.023 -9.143 1.00 0.00 O ATOM 967 CB LEU A 61 -0.114 -4.783 -8.009 1.00 0.00 C ATOM 968 CG LEU A 61 -0.425 -3.344 -8.417 1.00 0.00 C ATOM 969 CD1 LEU A 61 -1.925 -3.091 -8.393 1.00 0.00 C ATOM 970 CD2 LEU A 61 0.308 -2.371 -7.513 1.00 0.00 C ATOM 0 H LEU A 61 -2.160 -5.974 -8.825 1.00 0.00 H new ATOM 0 HA LEU A 61 0.345 -5.294 -10.032 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.854 -5.107 -7.277 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.856 -4.804 -7.513 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.077 -3.188 -9.438 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.125 -2.061 -8.687 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.420 -3.769 -9.089 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.307 -3.262 -7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.077 -1.349 -7.815 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.008 -2.524 -6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.382 -2.539 -7.592 1.00 0.00 H new ATOM 982 N LEU A 62 0.175 -7.981 -8.148 1.00 0.00 N ATOM 983 CA LEU A 62 0.912 -9.191 -7.805 1.00 0.00 C ATOM 984 C LEU A 62 1.533 -9.759 -9.070 1.00 0.00 C ATOM 985 O LEU A 62 2.621 -10.335 -9.048 1.00 0.00 O ATOM 986 CB LEU A 62 -0.023 -10.231 -7.186 1.00 0.00 C ATOM 987 CG LEU A 62 -0.710 -9.826 -5.879 1.00 0.00 C ATOM 988 CD1 LEU A 62 -1.905 -10.728 -5.614 1.00 0.00 C ATOM 989 CD2 LEU A 62 0.265 -9.897 -4.712 1.00 0.00 C ATOM 0 H LEU A 62 -0.797 -7.968 -7.839 1.00 0.00 H new ATOM 0 HA LEU A 62 1.687 -8.946 -7.079 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.794 -10.478 -7.916 1.00 0.00 H new ATOM 0 HB3 LEU A 62 0.548 -11.142 -7.005 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.055 -8.797 -5.978 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -2.386 -10.431 -4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.617 -10.639 -6.434 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.570 -11.762 -5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.245 -9.605 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.639 -10.916 -4.611 1.00 0.00 H new ATOM 0 HD23 LEU A 62 1.100 -9.221 -4.894 1.00 0.00 H new ATOM 1001 N HIS A 63 0.814 -9.582 -10.174 1.00 0.00 N ATOM 1002 CA HIS A 63 1.263 -10.049 -11.474 1.00 0.00 C ATOM 1003 C HIS A 63 2.484 -9.261 -11.924 1.00 0.00 C ATOM 1004 O HIS A 63 3.428 -9.824 -12.478 1.00 0.00 O ATOM 1005 CB HIS A 63 0.136 -9.910 -12.496 1.00 0.00 C ATOM 1006 CG HIS A 63 0.492 -10.418 -13.860 1.00 0.00 C ATOM 1007 ND1 HIS A 63 0.191 -11.692 -14.291 1.00 0.00 N ATOM 1008 CD2 HIS A 63 1.123 -9.813 -14.895 1.00 0.00 C ATOM 1009 CE1 HIS A 63 0.623 -11.850 -15.530 1.00 0.00 C ATOM 1010 NE2 HIS A 63 1.191 -10.725 -15.919 1.00 0.00 N ATOM 0 H HIS A 63 -0.092 -9.113 -10.189 1.00 0.00 H new ATOM 0 HA HIS A 63 1.539 -11.101 -11.395 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.739 -10.450 -12.134 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.146 -8.860 -12.572 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.502 -8.802 -14.911 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.527 -12.748 -16.123 1.00 0.00 H new ATOM 0 HE2 HIS A 63 1.613 -10.559 -16.833 1.00 0.00 H new ATOM 1019 N ARG A 64 2.464 -7.950 -11.684 1.00 0.00 N ATOM 1020 CA ARG A 64 3.584 -7.100 -12.056 1.00 0.00 C ATOM 1021 C ARG A 64 4.740 -7.309 -11.091 1.00 0.00 C ATOM 1022 O ARG A 64 5.815 -6.732 -11.254 1.00 0.00 O ATOM 1023 CB ARG A 64 3.158 -5.632 -12.065 1.00 0.00 C ATOM 1024 CG ARG A 64 2.033 -5.337 -13.041 1.00 0.00 C ATOM 1025 CD ARG A 64 1.784 -3.843 -13.171 1.00 0.00 C ATOM 1026 NE ARG A 64 0.704 -3.549 -14.109 1.00 0.00 N ATOM 1027 CZ ARG A 64 0.702 -2.500 -14.926 1.00 0.00 C ATOM 1028 NH1 ARG A 64 1.723 -1.653 -14.926 1.00 0.00 N ATOM 1029 NH2 ARG A 64 -0.321 -2.298 -15.746 1.00 0.00 N ATOM 0 H ARG A 64 1.689 -7.461 -11.237 1.00 0.00 H new ATOM 0 HA ARG A 64 3.911 -7.371 -13.060 1.00 0.00 H new ATOM 0 HB2 ARG A 64 2.843 -5.347 -11.061 1.00 0.00 H new ATOM 0 HB3 ARG A 64 4.019 -5.013 -12.317 1.00 0.00 H new ATOM 0 HG2 ARG A 64 2.280 -5.752 -14.018 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.121 -5.831 -12.706 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.537 -3.430 -12.193 1.00 0.00 H new ATOM 0 HD3 ARG A 64 2.698 -3.351 -13.504 1.00 0.00 H new ATOM 0 HE ARG A 64 -0.094 -4.184 -14.139 1.00 0.00 H new ATOM 0 HH11 ARG A 64 2.512 -1.806 -14.298 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.719 -0.849 -15.554 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -1.107 -2.948 -15.750 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -0.321 -1.493 -16.372 1.00 0.00 H new ATOM 1043 N ASN A 65 4.496 -8.137 -10.078 1.00 0.00 N ATOM 1044 CA ASN A 65 5.506 -8.457 -9.075 1.00 0.00 C ATOM 1045 C ASN A 65 5.848 -7.252 -8.203 1.00 0.00 C ATOM 1046 O ASN A 65 6.932 -7.195 -7.624 1.00 0.00 O ATOM 1047 CB ASN A 65 6.772 -8.996 -9.745 1.00 0.00 C ATOM 1048 CG ASN A 65 6.511 -10.256 -10.548 1.00 0.00 C ATOM 1049 OD1 ASN A 65 7.183 -10.521 -11.544 1.00 0.00 O ATOM 1050 ND2 ASN A 65 5.530 -11.041 -10.117 1.00 0.00 N ATOM 0 H ASN A 65 3.600 -8.601 -9.931 1.00 0.00 H new ATOM 0 HA ASN A 65 5.086 -9.226 -8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 65 7.187 -8.230 -10.401 1.00 0.00 H new ATOM 0 HB3 ASN A 65 7.523 -9.204 -8.983 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.309 -11.902 -10.617 1.00 0.00 H new ATOM 0 HD22 ASN A 65 4.998 -10.783 -9.286 1.00 0.00 H new ATOM 1057 N LEU A 66 4.933 -6.289 -8.110 1.00 0.00 N ATOM 1058 CA LEU A 66 5.173 -5.118 -7.270 1.00 0.00 C ATOM 1059 C LEU A 66 4.711 -5.413 -5.851 1.00 0.00 C ATOM 1060 O LEU A 66 5.215 -4.842 -4.882 1.00 0.00 O ATOM 1061 CB LEU A 66 4.443 -3.885 -7.801 1.00 0.00 C ATOM 1062 CG LEU A 66 4.447 -3.705 -9.323 1.00 0.00 C ATOM 1063 CD1 LEU A 66 4.005 -2.298 -9.681 1.00 0.00 C ATOM 1064 CD2 LEU A 66 5.823 -3.982 -9.908 1.00 0.00 C ATOM 0 H LEU A 66 4.036 -6.294 -8.595 1.00 0.00 H new ATOM 0 HA LEU A 66 6.242 -4.905 -7.282 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.408 -3.927 -7.463 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.891 -3.000 -7.349 1.00 0.00 H new ATOM 0 HG LEU A 66 3.747 -4.424 -9.750 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.011 -2.179 -10.765 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.997 -2.126 -9.303 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.689 -1.577 -9.233 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.793 -3.846 -10.989 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.548 -3.292 -9.475 1.00 0.00 H new ATOM 0 HD23 LEU A 66 6.116 -5.007 -9.679 1.00 0.00 H new ATOM 1076 N VAL A 67 3.736 -6.307 -5.748 1.00 0.00 N ATOM 1077 CA VAL A 67 3.207 -6.721 -4.457 1.00 0.00 C ATOM 1078 C VAL A 67 3.338 -8.230 -4.305 1.00 0.00 C ATOM 1079 O VAL A 67 3.544 -8.942 -5.288 1.00 0.00 O ATOM 1080 CB VAL A 67 1.729 -6.319 -4.285 1.00 0.00 C ATOM 1081 CG1 VAL A 67 1.603 -4.828 -4.030 1.00 0.00 C ATOM 1082 CG2 VAL A 67 0.928 -6.719 -5.505 1.00 0.00 C ATOM 0 H VAL A 67 3.294 -6.761 -6.548 1.00 0.00 H new ATOM 0 HA VAL A 67 3.787 -6.213 -3.687 1.00 0.00 H new ATOM 0 HB VAL A 67 1.329 -6.847 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.551 -4.567 -3.912 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.146 -4.567 -3.122 1.00 0.00 H new ATOM 0 HG13 VAL A 67 2.021 -4.278 -4.873 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.114 -6.428 -5.368 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.332 -6.219 -6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 67 0.988 -7.799 -5.642 1.00 0.00 H new ATOM 1092 N LEU A 68 3.218 -8.718 -3.079 1.00 0.00 N ATOM 1093 CA LEU A 68 3.338 -10.147 -2.828 1.00 0.00 C ATOM 1094 C LEU A 68 2.083 -10.696 -2.165 1.00 0.00 C ATOM 1095 O LEU A 68 1.525 -10.065 -1.278 1.00 0.00 O ATOM 1096 CB LEU A 68 4.543 -10.424 -1.933 1.00 0.00 C ATOM 1097 CG LEU A 68 4.937 -11.898 -1.820 1.00 0.00 C ATOM 1098 CD1 LEU A 68 5.445 -12.421 -3.155 1.00 0.00 C ATOM 1099 CD2 LEU A 68 5.984 -12.088 -0.737 1.00 0.00 C ATOM 0 H LEU A 68 3.039 -8.152 -2.249 1.00 0.00 H new ATOM 0 HA LEU A 68 3.471 -10.644 -3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 68 5.397 -9.863 -2.314 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.331 -10.042 -0.934 1.00 0.00 H new ATOM 0 HG LEU A 68 4.051 -12.470 -1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.720 -13.471 -3.054 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.662 -12.322 -3.906 1.00 0.00 H new ATOM 0 HD13 LEU A 68 6.318 -11.845 -3.463 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.252 -13.142 -0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.871 -11.503 -0.981 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.582 -11.755 0.220 1.00 0.00 H new ATOM 1111 N ARG A 69 1.654 -11.874 -2.606 1.00 0.00 N ATOM 1112 CA ARG A 69 0.469 -12.524 -2.044 1.00 0.00 C ATOM 1113 C ARG A 69 0.880 -13.751 -1.239 1.00 0.00 C ATOM 1114 O ARG A 69 1.904 -14.370 -1.524 1.00 0.00 O ATOM 1115 CB ARG A 69 -0.517 -12.907 -3.149 1.00 0.00 C ATOM 1116 CG ARG A 69 -1.604 -13.871 -2.698 1.00 0.00 C ATOM 1117 CD ARG A 69 -2.423 -14.375 -3.873 1.00 0.00 C ATOM 1118 NE ARG A 69 -3.520 -15.239 -3.445 1.00 0.00 N ATOM 1119 CZ ARG A 69 -4.416 -15.762 -4.278 1.00 0.00 C ATOM 1120 NH1 ARG A 69 -4.345 -15.508 -5.577 1.00 0.00 N ATOM 1121 NH2 ARG A 69 -5.383 -16.538 -3.810 1.00 0.00 N ATOM 0 H ARG A 69 2.108 -12.401 -3.352 1.00 0.00 H new ATOM 0 HA ARG A 69 -0.031 -11.820 -1.379 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.985 -12.001 -3.535 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.034 -13.357 -3.975 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -1.150 -14.716 -2.180 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -2.259 -13.373 -1.983 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -2.825 -13.526 -4.426 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -1.776 -14.923 -4.558 1.00 0.00 H new ATOM 0 HE ARG A 69 -3.604 -15.454 -2.451 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -3.602 -14.910 -5.940 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.033 -15.910 -6.214 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -5.441 -16.735 -2.811 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -6.070 -16.939 -4.449 1.00 0.00 H new ATOM 1135 N THR A 70 0.082 -14.102 -0.234 1.00 0.00 N ATOM 1136 CA THR A 70 0.436 -15.241 0.600 1.00 0.00 C ATOM 1137 C THR A 70 -0.779 -16.008 1.140 1.00 0.00 C ATOM 1138 O THR A 70 -1.924 -15.768 0.760 1.00 0.00 O ATOM 1139 CB THR A 70 1.358 -14.823 1.762 1.00 0.00 C ATOM 1140 OG1 THR A 70 1.987 -15.975 2.337 1.00 0.00 O ATOM 1141 CG2 THR A 70 0.579 -14.086 2.826 1.00 0.00 C ATOM 0 H THR A 70 -0.787 -13.630 0.016 1.00 0.00 H new ATOM 0 HA THR A 70 0.974 -15.924 -0.057 1.00 0.00 H new ATOM 0 HB THR A 70 2.123 -14.157 1.363 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.571 -15.696 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 70 1.250 -13.801 3.636 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.130 -13.191 2.394 1.00 0.00 H new ATOM 0 HG23 THR A 70 -0.206 -14.734 3.216 1.00 0.00 H new ATOM 1149 N HIS A 71 -0.466 -16.940 2.032 1.00 0.00 N ATOM 1150 CA HIS A 71 -1.415 -17.862 2.666 1.00 0.00 C ATOM 1151 C HIS A 71 -2.869 -17.393 2.796 1.00 0.00 C ATOM 1152 O HIS A 71 -3.765 -18.058 2.277 1.00 0.00 O ATOM 1153 CB HIS A 71 -0.913 -18.067 4.083 1.00 0.00 C ATOM 1154 CG HIS A 71 -0.270 -19.390 4.336 1.00 0.00 C ATOM 1155 ND1 HIS A 71 -0.896 -20.597 4.112 1.00 0.00 N ATOM 1156 CD2 HIS A 71 0.965 -19.686 4.797 1.00 0.00 C ATOM 1157 CE1 HIS A 71 -0.071 -21.581 4.427 1.00 0.00 C ATOM 1158 NE2 HIS A 71 1.066 -21.055 4.845 1.00 0.00 N ATOM 0 H HIS A 71 0.493 -17.084 2.350 1.00 0.00 H new ATOM 0 HA HIS A 71 -1.447 -18.740 2.021 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -0.196 -17.280 4.316 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -1.751 -17.949 4.770 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.731 -18.978 5.076 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -0.290 -22.636 4.355 1.00 0.00 H new ATOM 0 HE2 HIS A 71 1.885 -21.579 5.153 1.00 0.00 H new ATOM 1167 N GLN A 72 -3.090 -16.246 3.446 1.00 0.00 N ATOM 1168 CA GLN A 72 -4.463 -15.751 3.674 1.00 0.00 C ATOM 1169 C GLN A 72 -4.507 -14.806 4.881 1.00 0.00 C ATOM 1170 O GLN A 72 -3.775 -15.006 5.851 1.00 0.00 O ATOM 1171 CB GLN A 72 -5.448 -16.900 3.930 1.00 0.00 C ATOM 1172 CG GLN A 72 -5.059 -17.794 5.096 1.00 0.00 C ATOM 1173 CD GLN A 72 -6.033 -18.938 5.304 1.00 0.00 C ATOM 1174 OE1 GLN A 72 -5.869 -20.019 4.739 1.00 0.00 O ATOM 1175 NE2 GLN A 72 -7.055 -18.703 6.118 1.00 0.00 N ATOM 0 H GLN A 72 -2.354 -15.647 3.820 1.00 0.00 H new ATOM 0 HA GLN A 72 -4.757 -15.221 2.768 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -6.437 -16.483 4.119 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -5.525 -17.508 3.028 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -4.062 -18.198 4.922 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -5.007 -17.196 6.006 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.152 -17.791 6.565 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -7.744 -19.434 6.296 1.00 0.00 H new ATOM 1184 N PRO A 73 -5.365 -13.758 4.848 1.00 0.00 N ATOM 1185 CA PRO A 73 -6.248 -13.457 3.711 1.00 0.00 C ATOM 1186 C PRO A 73 -5.452 -12.995 2.505 1.00 0.00 C ATOM 1187 O PRO A 73 -5.989 -12.377 1.586 1.00 0.00 O ATOM 1188 CB PRO A 73 -7.151 -12.326 4.227 1.00 0.00 C ATOM 1189 CG PRO A 73 -6.939 -12.287 5.703 1.00 0.00 C ATOM 1190 CD PRO A 73 -5.542 -12.788 5.934 1.00 0.00 C ATOM 0 HA PRO A 73 -6.810 -14.331 3.383 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.888 -11.373 3.768 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -8.197 -12.518 3.986 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.059 -11.274 6.088 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.668 -12.912 6.219 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -4.809 -11.983 5.882 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.435 -13.253 6.914 1.00 0.00 H new ATOM 1198 N ALA A 74 -4.157 -13.300 2.561 1.00 0.00 N ATOM 1199 CA ALA A 74 -3.200 -12.972 1.518 1.00 0.00 C ATOM 1200 C ALA A 74 -2.421 -11.733 1.912 1.00 0.00 C ATOM 1201 O ALA A 74 -2.660 -10.639 1.398 1.00 0.00 O ATOM 1202 CB ALA A 74 -3.851 -12.805 0.151 1.00 0.00 C ATOM 0 H ALA A 74 -3.740 -13.792 3.351 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.514 -13.813 1.422 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.088 -12.561 -0.588 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.346 -13.734 -0.132 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.585 -12.001 0.194 1.00 0.00 H new ATOM 1208 N ARG A 75 -1.495 -11.916 2.848 1.00 0.00 N ATOM 1209 CA ARG A 75 -0.676 -10.805 3.309 1.00 0.00 C ATOM 1210 C ARG A 75 0.096 -10.230 2.130 1.00 0.00 C ATOM 1211 O ARG A 75 0.746 -10.966 1.387 1.00 0.00 O ATOM 1212 CB ARG A 75 0.294 -11.287 4.392 1.00 0.00 C ATOM 1213 CG ARG A 75 -0.370 -12.142 5.464 1.00 0.00 C ATOM 1214 CD ARG A 75 0.635 -13.036 6.178 1.00 0.00 C ATOM 1215 NE ARG A 75 0.057 -13.667 7.361 1.00 0.00 N ATOM 1216 CZ ARG A 75 0.711 -14.531 8.132 1.00 0.00 C ATOM 1217 NH1 ARG A 75 1.963 -14.866 7.845 1.00 0.00 N ATOM 1218 NH2 ARG A 75 0.115 -15.062 9.191 1.00 0.00 N ATOM 0 H ARG A 75 -1.296 -12.811 3.296 1.00 0.00 H new ATOM 0 HA ARG A 75 -1.315 -10.031 3.734 1.00 0.00 H new ATOM 0 HB2 ARG A 75 1.093 -11.861 3.924 1.00 0.00 H new ATOM 0 HB3 ARG A 75 0.758 -10.421 4.864 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -0.862 -11.496 6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.145 -12.758 5.009 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.988 -13.806 5.492 1.00 0.00 H new ATOM 0 HD3 ARG A 75 1.504 -12.446 6.469 1.00 0.00 H new ATOM 0 HE ARG A 75 -0.904 -13.432 7.610 1.00 0.00 H new ATOM 0 HH11 ARG A 75 2.426 -14.460 7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.462 -15.529 8.438 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.847 -14.808 9.416 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.619 -15.724 9.781 1.00 0.00 H new ATOM 1232 N TYR A 76 0.023 -8.916 1.960 1.00 0.00 N ATOM 1233 CA TYR A 76 0.723 -8.299 0.847 1.00 0.00 C ATOM 1234 C TYR A 76 2.064 -7.728 1.278 1.00 0.00 C ATOM 1235 O TYR A 76 2.220 -7.254 2.402 1.00 0.00 O ATOM 1236 CB TYR A 76 -0.145 -7.231 0.182 1.00 0.00 C ATOM 1237 CG TYR A 76 -1.350 -7.813 -0.527 1.00 0.00 C ATOM 1238 CD1 TYR A 76 -1.194 -8.642 -1.631 1.00 0.00 C ATOM 1239 CD2 TYR A 76 -2.640 -7.544 -0.088 1.00 0.00 C ATOM 1240 CE1 TYR A 76 -2.287 -9.185 -2.279 1.00 0.00 C ATOM 1241 CE2 TYR A 76 -3.740 -8.082 -0.731 1.00 0.00 C ATOM 1242 CZ TYR A 76 -3.557 -8.901 -1.825 1.00 0.00 C ATOM 1243 OH TYR A 76 -4.650 -9.439 -2.467 1.00 0.00 O ATOM 0 H TYR A 76 -0.497 -8.276 2.559 1.00 0.00 H new ATOM 0 HA TYR A 76 0.924 -9.077 0.111 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.481 -6.521 0.937 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.458 -6.673 -0.534 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -0.200 -8.866 -1.989 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -2.787 -6.904 0.770 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -2.147 -9.828 -3.136 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -4.737 -7.862 -0.378 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.470 -9.141 -2.021 1.00 0.00 H new ATOM 1253 N SER A 77 3.029 -7.781 0.368 1.00 0.00 N ATOM 1254 CA SER A 77 4.362 -7.280 0.673 1.00 0.00 C ATOM 1255 C SER A 77 4.937 -6.509 -0.508 1.00 0.00 C ATOM 1256 O SER A 77 4.768 -6.902 -1.663 1.00 0.00 O ATOM 1257 CB SER A 77 5.295 -8.434 1.045 1.00 0.00 C ATOM 1258 OG SER A 77 6.593 -7.962 1.356 1.00 0.00 O ATOM 0 H SER A 77 2.917 -8.160 -0.572 1.00 0.00 H new ATOM 0 HA SER A 77 4.279 -6.602 1.522 1.00 0.00 H new ATOM 0 HB2 SER A 77 4.887 -8.974 1.899 1.00 0.00 H new ATOM 0 HB3 SER A 77 5.351 -9.141 0.218 1.00 0.00 H new ATOM 0 HG SER A 77 7.169 -8.719 1.592 1.00 0.00 H new ATOM 1264 N LEU A 78 5.616 -5.410 -0.208 1.00 0.00 N ATOM 1265 CA LEU A 78 6.223 -4.578 -1.239 1.00 0.00 C ATOM 1266 C LEU A 78 7.497 -5.208 -1.781 1.00 0.00 C ATOM 1267 O LEU A 78 8.441 -5.460 -1.033 1.00 0.00 O ATOM 1268 CB LEU A 78 6.563 -3.196 -0.681 1.00 0.00 C ATOM 1269 CG LEU A 78 5.401 -2.211 -0.560 1.00 0.00 C ATOM 1270 CD1 LEU A 78 5.943 -0.820 -0.292 1.00 0.00 C ATOM 1271 CD2 LEU A 78 4.547 -2.209 -1.818 1.00 0.00 C ATOM 0 H LEU A 78 5.761 -5.073 0.744 1.00 0.00 H new ATOM 0 HA LEU A 78 5.497 -4.487 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 78 7.006 -3.325 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 78 7.326 -2.748 -1.317 1.00 0.00 H new ATOM 0 HG LEU A 78 4.768 -2.523 0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.114 -0.117 -0.206 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.513 -0.824 0.637 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.591 -0.517 -1.114 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.729 -1.498 -1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 78 5.159 -1.920 -2.673 1.00 0.00 H new ATOM 0 HD23 LEU A 78 4.140 -3.207 -1.983 1.00 0.00 H new ATOM 1283 N THR A 79 7.521 -5.461 -3.082 1.00 0.00 N ATOM 1284 CA THR A 79 8.695 -6.024 -3.720 1.00 0.00 C ATOM 1285 C THR A 79 9.610 -4.877 -4.159 1.00 0.00 C ATOM 1286 O THR A 79 9.269 -3.717 -3.940 1.00 0.00 O ATOM 1287 CB THR A 79 8.288 -6.897 -4.922 1.00 0.00 C ATOM 1288 OG1 THR A 79 6.876 -6.816 -5.121 1.00 0.00 O ATOM 1289 CG2 THR A 79 8.682 -8.352 -4.701 1.00 0.00 C ATOM 0 H THR A 79 6.740 -5.284 -3.713 1.00 0.00 H new ATOM 0 HA THR A 79 9.229 -6.663 -3.017 1.00 0.00 H new ATOM 0 HB THR A 79 8.810 -6.525 -5.804 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.644 -7.215 -5.986 1.00 0.00 H new ATOM 0 HG21 THR A 79 8.383 -8.945 -5.565 1.00 0.00 H new ATOM 0 HG22 THR A 79 9.762 -8.421 -4.570 1.00 0.00 H new ATOM 0 HG23 THR A 79 8.184 -8.732 -3.809 1.00 0.00 H new ATOM 1297 N PRO A 80 10.779 -5.154 -4.767 1.00 0.00 N ATOM 1298 CA PRO A 80 11.698 -4.096 -5.201 1.00 0.00 C ATOM 1299 C PRO A 80 11.003 -2.934 -5.906 1.00 0.00 C ATOM 1300 O PRO A 80 11.249 -1.773 -5.585 1.00 0.00 O ATOM 1301 CB PRO A 80 12.607 -4.831 -6.179 1.00 0.00 C ATOM 1302 CG PRO A 80 12.685 -6.212 -5.636 1.00 0.00 C ATOM 1303 CD PRO A 80 11.330 -6.499 -5.047 1.00 0.00 C ATOM 0 HA PRO A 80 12.206 -3.633 -4.355 1.00 0.00 H new ATOM 0 HB2 PRO A 80 12.196 -4.823 -7.188 1.00 0.00 H new ATOM 0 HB3 PRO A 80 13.592 -4.368 -6.232 1.00 0.00 H new ATOM 0 HG2 PRO A 80 12.929 -6.927 -6.421 1.00 0.00 H new ATOM 0 HG3 PRO A 80 13.465 -6.291 -4.879 1.00 0.00 H new ATOM 0 HD2 PRO A 80 10.700 -7.053 -5.743 1.00 0.00 H new ATOM 0 HD3 PRO A 80 11.406 -7.098 -4.139 1.00 0.00 H new ATOM 1311 N GLU A 81 10.136 -3.245 -6.860 1.00 0.00 N ATOM 1312 CA GLU A 81 9.430 -2.213 -7.611 1.00 0.00 C ATOM 1313 C GLU A 81 8.360 -1.515 -6.769 1.00 0.00 C ATOM 1314 O GLU A 81 8.347 -0.288 -6.676 1.00 0.00 O ATOM 1315 CB GLU A 81 8.797 -2.815 -8.862 1.00 0.00 C ATOM 1316 CG GLU A 81 9.800 -3.446 -9.811 1.00 0.00 C ATOM 1317 CD GLU A 81 9.153 -3.978 -11.075 1.00 0.00 C ATOM 1318 OE1 GLU A 81 8.746 -5.158 -11.081 1.00 0.00 O ATOM 1319 OE2 GLU A 81 9.053 -3.213 -12.058 1.00 0.00 O ATOM 0 H GLU A 81 9.904 -4.200 -7.132 1.00 0.00 H new ATOM 0 HA GLU A 81 10.165 -1.460 -7.897 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.069 -3.569 -8.563 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.249 -2.036 -9.392 1.00 0.00 H new ATOM 0 HG2 GLU A 81 10.556 -2.708 -10.078 1.00 0.00 H new ATOM 0 HG3 GLU A 81 10.315 -4.260 -9.301 1.00 0.00 H new ATOM 1326 N GLY A 82 7.465 -2.292 -6.162 1.00 0.00 N ATOM 1327 CA GLY A 82 6.417 -1.690 -5.351 1.00 0.00 C ATOM 1328 C GLY A 82 6.975 -0.817 -4.253 1.00 0.00 C ATOM 1329 O GLY A 82 6.357 0.168 -3.860 1.00 0.00 O ATOM 0 H GLY A 82 7.445 -3.310 -6.215 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.763 -1.095 -5.989 1.00 0.00 H new ATOM 0 HA3 GLY A 82 5.804 -2.476 -4.911 1.00 0.00 H new ATOM 1333 N LEU A 83 8.151 -1.182 -3.760 1.00 0.00 N ATOM 1334 CA LEU A 83 8.797 -0.428 -2.700 1.00 0.00 C ATOM 1335 C LEU A 83 9.385 0.855 -3.244 1.00 0.00 C ATOM 1336 O LEU A 83 9.169 1.933 -2.696 1.00 0.00 O ATOM 1337 CB LEU A 83 9.905 -1.248 -2.056 1.00 0.00 C ATOM 1338 CG LEU A 83 10.360 -0.748 -0.682 1.00 0.00 C ATOM 1339 CD1 LEU A 83 9.180 -0.616 0.264 1.00 0.00 C ATOM 1340 CD2 LEU A 83 11.391 -1.686 -0.094 1.00 0.00 C ATOM 0 H LEU A 83 8.675 -1.997 -4.079 1.00 0.00 H new ATOM 0 HA LEU A 83 8.041 -0.192 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 83 9.564 -2.279 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 83 10.765 -1.260 -2.726 1.00 0.00 H new ATOM 0 HG LEU A 83 10.810 0.236 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 83 9.529 -0.259 1.233 1.00 0.00 H new ATOM 0 HD12 LEU A 83 8.462 0.094 -0.147 1.00 0.00 H new ATOM 0 HD13 LEU A 83 8.701 -1.587 0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 83 11.704 -1.317 0.882 1.00 0.00 H new ATOM 0 HD22 LEU A 83 10.958 -2.680 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 83 12.255 -1.738 -0.756 1.00 0.00 H new ATOM 1352 N GLU A 84 10.144 0.719 -4.318 1.00 0.00 N ATOM 1353 CA GLU A 84 10.765 1.877 -4.948 1.00 0.00 C ATOM 1354 C GLU A 84 9.710 2.919 -5.247 1.00 0.00 C ATOM 1355 O GLU A 84 9.830 4.074 -4.844 1.00 0.00 O ATOM 1356 CB GLU A 84 11.482 1.482 -6.240 1.00 0.00 C ATOM 1357 CG GLU A 84 12.795 0.761 -6.008 1.00 0.00 C ATOM 1358 CD GLU A 84 13.474 0.351 -7.300 1.00 0.00 C ATOM 1359 OE1 GLU A 84 13.206 -0.770 -7.781 1.00 0.00 O ATOM 1360 OE2 GLU A 84 14.273 1.151 -7.831 1.00 0.00 O ATOM 0 H GLU A 84 10.345 -0.173 -4.771 1.00 0.00 H new ATOM 0 HA GLU A 84 11.504 2.288 -4.260 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.825 0.843 -6.830 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.669 2.379 -6.831 1.00 0.00 H new ATOM 0 HG2 GLU A 84 13.464 1.407 -5.440 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.615 -0.125 -5.400 1.00 0.00 H new ATOM 1367 N LEU A 85 8.664 2.492 -5.940 1.00 0.00 N ATOM 1368 CA LEU A 85 7.577 3.382 -6.285 1.00 0.00 C ATOM 1369 C LEU A 85 6.921 3.924 -5.021 1.00 0.00 C ATOM 1370 O LEU A 85 6.747 5.131 -4.874 1.00 0.00 O ATOM 1371 CB LEU A 85 6.549 2.638 -7.138 1.00 0.00 C ATOM 1372 CG LEU A 85 6.348 3.190 -8.551 1.00 0.00 C ATOM 1373 CD1 LEU A 85 5.360 2.329 -9.322 1.00 0.00 C ATOM 1374 CD2 LEU A 85 5.869 4.633 -8.501 1.00 0.00 C ATOM 0 H LEU A 85 8.550 1.534 -6.272 1.00 0.00 H new ATOM 0 HA LEU A 85 7.972 4.221 -6.858 1.00 0.00 H new ATOM 0 HB2 LEU A 85 6.852 1.594 -7.214 1.00 0.00 H new ATOM 0 HB3 LEU A 85 5.590 2.655 -6.619 1.00 0.00 H new ATOM 0 HG LEU A 85 7.307 3.165 -9.068 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.228 2.735 -10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.741 1.310 -9.391 1.00 0.00 H new ATOM 0 HD13 LEU A 85 4.401 2.323 -8.804 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.732 5.006 -9.516 1.00 0.00 H new ATOM 0 HD22 LEU A 85 4.921 4.683 -7.965 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.610 5.245 -7.986 1.00 0.00 H new ATOM 1386 N ALA A 86 6.583 3.023 -4.101 1.00 0.00 N ATOM 1387 CA ALA A 86 5.938 3.419 -2.851 1.00 0.00 C ATOM 1388 C ALA A 86 6.718 4.522 -2.148 1.00 0.00 C ATOM 1389 O ALA A 86 6.129 5.476 -1.640 1.00 0.00 O ATOM 1390 CB ALA A 86 5.772 2.221 -1.930 1.00 0.00 C ATOM 0 H ALA A 86 6.744 2.020 -4.196 1.00 0.00 H new ATOM 0 HA ALA A 86 4.951 3.810 -3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.290 2.537 -1.005 1.00 0.00 H new ATOM 0 HB2 ALA A 86 5.156 1.467 -2.421 1.00 0.00 H new ATOM 0 HB3 ALA A 86 6.751 1.798 -1.703 1.00 0.00 H new ATOM 1396 N GLN A 87 8.040 4.388 -2.111 1.00 0.00 N ATOM 1397 CA GLN A 87 8.880 5.395 -1.481 1.00 0.00 C ATOM 1398 C GLN A 87 8.609 6.743 -2.135 1.00 0.00 C ATOM 1399 O GLN A 87 8.572 7.779 -1.473 1.00 0.00 O ATOM 1400 CB GLN A 87 10.358 5.011 -1.621 1.00 0.00 C ATOM 1401 CG GLN A 87 11.303 5.807 -0.731 1.00 0.00 C ATOM 1402 CD GLN A 87 11.590 7.200 -1.262 1.00 0.00 C ATOM 1403 OE1 GLN A 87 10.918 8.166 -0.903 1.00 0.00 O ATOM 1404 NE2 GLN A 87 12.594 7.308 -2.123 1.00 0.00 N ATOM 0 H GLN A 87 8.548 3.597 -2.507 1.00 0.00 H new ATOM 0 HA GLN A 87 8.648 5.459 -0.418 1.00 0.00 H new ATOM 0 HB2 GLN A 87 10.469 3.951 -1.391 1.00 0.00 H new ATOM 0 HB3 GLN A 87 10.658 5.145 -2.660 1.00 0.00 H new ATOM 0 HG2 GLN A 87 10.872 5.887 0.267 1.00 0.00 H new ATOM 0 HG3 GLN A 87 12.242 5.263 -0.630 1.00 0.00 H new ATOM 0 HE21 GLN A 87 13.125 6.480 -2.393 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.834 8.219 -2.514 1.00 0.00 H new ATOM 1413 N LYS A 88 8.395 6.704 -3.445 1.00 0.00 N ATOM 1414 CA LYS A 88 8.108 7.910 -4.209 1.00 0.00 C ATOM 1415 C LYS A 88 6.739 8.466 -3.839 1.00 0.00 C ATOM 1416 O LYS A 88 6.596 9.652 -3.545 1.00 0.00 O ATOM 1417 CB LYS A 88 8.160 7.600 -5.701 1.00 0.00 C ATOM 1418 CG LYS A 88 9.347 6.733 -6.088 1.00 0.00 C ATOM 1419 CD LYS A 88 9.392 6.454 -7.580 1.00 0.00 C ATOM 1420 CE LYS A 88 10.469 5.431 -7.919 1.00 0.00 C ATOM 1421 NZ LYS A 88 10.530 5.152 -9.380 1.00 0.00 N ATOM 0 H LYS A 88 8.415 5.848 -4.000 1.00 0.00 H new ATOM 0 HA LYS A 88 8.861 8.662 -3.971 1.00 0.00 H new ATOM 0 HB2 LYS A 88 7.239 7.096 -5.994 1.00 0.00 H new ATOM 0 HB3 LYS A 88 8.203 8.535 -6.259 1.00 0.00 H new ATOM 0 HG2 LYS A 88 10.270 7.227 -5.785 1.00 0.00 H new ATOM 0 HG3 LYS A 88 9.298 5.789 -5.545 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.421 6.087 -7.913 1.00 0.00 H new ATOM 0 HD3 LYS A 88 9.585 7.381 -8.120 1.00 0.00 H new ATOM 0 HE2 LYS A 88 11.438 5.797 -7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.272 4.504 -7.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.151 4.335 -9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.575 4.941 -9.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.907 5.984 -9.877 1.00 0.00 H new ATOM 1435 N LEU A 89 5.730 7.599 -3.869 1.00 0.00 N ATOM 1436 CA LEU A 89 4.379 7.995 -3.514 1.00 0.00 C ATOM 1437 C LEU A 89 4.372 8.601 -2.119 1.00 0.00 C ATOM 1438 O LEU A 89 3.518 9.418 -1.774 1.00 0.00 O ATOM 1439 CB LEU A 89 3.457 6.774 -3.552 1.00 0.00 C ATOM 1440 CG LEU A 89 3.029 6.309 -4.947 1.00 0.00 C ATOM 1441 CD1 LEU A 89 4.230 6.058 -5.843 1.00 0.00 C ATOM 1442 CD2 LEU A 89 2.181 5.050 -4.845 1.00 0.00 C ATOM 0 H LEU A 89 5.827 6.619 -4.136 1.00 0.00 H new ATOM 0 HA LEU A 89 4.022 8.737 -4.229 1.00 0.00 H new ATOM 0 HB2 LEU A 89 3.960 5.946 -3.051 1.00 0.00 H new ATOM 0 HB3 LEU A 89 2.561 7.000 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 89 2.436 7.106 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 89 3.889 5.729 -6.825 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.805 6.978 -5.948 1.00 0.00 H new ATOM 0 HD13 LEU A 89 4.859 5.286 -5.400 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.883 4.730 -5.844 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.760 4.259 -4.368 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.291 5.258 -4.250 1.00 0.00 H new ATOM 1454 N ALA A 90 5.346 8.177 -1.327 1.00 0.00 N ATOM 1455 CA ALA A 90 5.479 8.647 0.046 1.00 0.00 C ATOM 1456 C ALA A 90 6.020 10.071 0.107 1.00 0.00 C ATOM 1457 O ALA A 90 5.689 10.832 1.018 1.00 0.00 O ATOM 1458 CB ALA A 90 6.374 7.701 0.825 1.00 0.00 C ATOM 0 H ALA A 90 6.059 7.506 -1.612 1.00 0.00 H new ATOM 0 HA ALA A 90 4.487 8.661 0.498 1.00 0.00 H new ATOM 0 HB1 ALA A 90 6.472 8.055 1.851 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.936 6.703 0.825 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.358 7.665 0.359 1.00 0.00 H new ATOM 1464 N GLU A 91 6.853 10.426 -0.862 1.00 0.00 N ATOM 1465 CA GLU A 91 7.428 11.767 -0.915 1.00 0.00 C ATOM 1466 C GLU A 91 6.318 12.805 -0.935 1.00 0.00 C ATOM 1467 O GLU A 91 6.400 13.843 -0.280 1.00 0.00 O ATOM 1468 CB GLU A 91 8.303 11.931 -2.154 1.00 0.00 C ATOM 1469 CG GLU A 91 9.197 10.739 -2.411 1.00 0.00 C ATOM 1470 CD GLU A 91 10.011 10.880 -3.681 1.00 0.00 C ATOM 1471 OE1 GLU A 91 9.456 10.638 -4.774 1.00 0.00 O ATOM 1472 OE2 GLU A 91 11.206 11.232 -3.585 1.00 0.00 O ATOM 0 H GLU A 91 7.146 9.809 -1.619 1.00 0.00 H new ATOM 0 HA GLU A 91 8.046 11.911 -0.029 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.665 12.093 -3.023 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.920 12.822 -2.040 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.872 10.607 -1.565 1.00 0.00 H new ATOM 0 HG3 GLU A 91 8.586 9.839 -2.474 1.00 0.00 H new ATOM 1479 N SER A 92 5.282 12.503 -1.706 1.00 0.00 N ATOM 1480 CA SER A 92 4.138 13.392 -1.829 1.00 0.00 C ATOM 1481 C SER A 92 3.463 13.617 -0.478 1.00 0.00 C ATOM 1482 O SER A 92 2.954 14.705 -0.206 1.00 0.00 O ATOM 1483 CB SER A 92 3.143 12.800 -2.825 1.00 0.00 C ATOM 1484 OG SER A 92 2.026 13.654 -3.003 1.00 0.00 O ATOM 0 H SER A 92 5.212 11.647 -2.256 1.00 0.00 H new ATOM 0 HA SER A 92 4.487 14.360 -2.189 1.00 0.00 H new ATOM 0 HB2 SER A 92 3.637 12.638 -3.783 1.00 0.00 H new ATOM 0 HB3 SER A 92 2.806 11.826 -2.471 1.00 0.00 H new ATOM 0 HG SER A 92 1.406 13.252 -3.646 1.00 0.00 H new ATOM 1490 N GLU A 93 3.462 12.588 0.365 1.00 0.00 N ATOM 1491 CA GLU A 93 2.850 12.693 1.681 1.00 0.00 C ATOM 1492 C GLU A 93 3.829 13.297 2.675 1.00 0.00 C ATOM 1493 O GLU A 93 3.517 13.455 3.855 1.00 0.00 O ATOM 1494 CB GLU A 93 2.424 11.310 2.166 1.00 0.00 C ATOM 1495 CG GLU A 93 1.589 10.538 1.161 1.00 0.00 C ATOM 1496 CD GLU A 93 0.226 11.161 0.931 1.00 0.00 C ATOM 1497 OE1 GLU A 93 0.109 12.015 0.028 1.00 0.00 O ATOM 1498 OE2 GLU A 93 -0.723 10.794 1.655 1.00 0.00 O ATOM 0 H GLU A 93 3.876 11.679 0.160 1.00 0.00 H new ATOM 0 HA GLU A 93 1.976 13.340 1.606 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.315 10.729 2.406 1.00 0.00 H new ATOM 0 HB3 GLU A 93 1.855 11.418 3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.125 10.486 0.213 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.461 9.514 1.511 1.00 0.00 H new ATOM 1505 N GLY A 94 5.018 13.632 2.187 1.00 0.00 N ATOM 1506 CA GLY A 94 6.032 14.193 3.055 1.00 0.00 C ATOM 1507 C GLY A 94 6.706 13.114 3.875 1.00 0.00 C ATOM 1508 O GLY A 94 7.602 13.394 4.674 1.00 0.00 O ATOM 0 H GLY A 94 5.295 13.525 1.211 1.00 0.00 H new ATOM 0 HA2 GLY A 94 6.777 14.718 2.457 1.00 0.00 H new ATOM 0 HA3 GLY A 94 5.580 14.929 3.719 1.00 0.00 H new ATOM 1512 N LEU A 95 6.257 11.875 3.675 1.00 0.00 N ATOM 1513 CA LEU A 95 6.814 10.738 4.395 1.00 0.00 C ATOM 1514 C LEU A 95 6.488 10.860 5.881 1.00 0.00 C ATOM 1515 O LEU A 95 7.350 10.716 6.746 1.00 0.00 O ATOM 1516 CB LEU A 95 8.327 10.651 4.152 1.00 0.00 C ATOM 1517 CG LEU A 95 8.959 9.256 4.291 1.00 0.00 C ATOM 1518 CD1 LEU A 95 8.972 8.788 5.737 1.00 0.00 C ATOM 1519 CD2 LEU A 95 8.227 8.250 3.418 1.00 0.00 C ATOM 0 H LEU A 95 5.511 11.637 3.021 1.00 0.00 H new ATOM 0 HA LEU A 95 6.366 9.815 4.026 1.00 0.00 H new ATOM 0 HB2 LEU A 95 8.534 11.022 3.148 1.00 0.00 H new ATOM 0 HB3 LEU A 95 8.825 11.324 4.850 1.00 0.00 H new ATOM 0 HG LEU A 95 9.994 9.329 3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 95 9.426 7.799 5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 95 9.549 9.488 6.341 1.00 0.00 H new ATOM 0 HD13 LEU A 95 7.950 8.741 6.113 1.00 0.00 H new ATOM 0 HD21 LEU A 95 8.688 7.269 3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 95 7.182 8.197 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 95 8.286 8.562 2.375 1.00 0.00 H new ATOM 1531 N SER A 96 5.224 11.155 6.156 1.00 0.00 N ATOM 1532 CA SER A 96 4.763 11.288 7.531 1.00 0.00 C ATOM 1533 C SER A 96 3.654 10.282 7.814 1.00 0.00 C ATOM 1534 O SER A 96 2.745 10.547 8.601 1.00 0.00 O ATOM 1535 CB SER A 96 4.260 12.711 7.783 1.00 0.00 C ATOM 1536 OG SER A 96 5.295 13.660 7.593 1.00 0.00 O ATOM 0 H SER A 96 4.504 11.306 5.450 1.00 0.00 H new ATOM 0 HA SER A 96 5.598 11.087 8.201 1.00 0.00 H new ATOM 0 HB2 SER A 96 3.432 12.932 7.109 1.00 0.00 H new ATOM 0 HB3 SER A 96 3.874 12.789 8.799 1.00 0.00 H new ATOM 0 HG SER A 96 4.947 14.561 7.758 1.00 0.00 H new ATOM 1542 N LEU A 97 3.745 9.120 7.175 1.00 0.00 N ATOM 1543 CA LEU A 97 2.740 8.080 7.360 1.00 0.00 C ATOM 1544 C LEU A 97 3.109 7.183 8.534 1.00 0.00 C ATOM 1545 O LEU A 97 2.477 7.234 9.591 1.00 0.00 O ATOM 1546 CB LEU A 97 2.598 7.239 6.088 1.00 0.00 C ATOM 1547 CG LEU A 97 2.293 8.022 4.807 1.00 0.00 C ATOM 1548 CD1 LEU A 97 3.547 8.708 4.280 1.00 0.00 C ATOM 1549 CD2 LEU A 97 1.704 7.102 3.750 1.00 0.00 C ATOM 0 H LEU A 97 4.497 8.876 6.530 1.00 0.00 H new ATOM 0 HA LEU A 97 1.786 8.563 7.572 1.00 0.00 H new ATOM 0 HB2 LEU A 97 3.521 6.679 5.939 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.804 6.509 6.244 1.00 0.00 H new ATOM 0 HG LEU A 97 1.559 8.792 5.044 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.306 9.258 3.370 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.927 9.400 5.032 1.00 0.00 H new ATOM 0 HD13 LEU A 97 4.307 7.958 4.060 1.00 0.00 H new ATOM 0 HD21 LEU A 97 1.493 7.674 2.846 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.416 6.309 3.520 1.00 0.00 H new ATOM 0 HD23 LEU A 97 0.780 6.662 4.125 1.00 0.00 H new ATOM 1561 N LEU A 98 4.135 6.358 8.341 1.00 0.00 N ATOM 1562 CA LEU A 98 4.588 5.455 9.394 1.00 0.00 C ATOM 1563 C LEU A 98 4.896 6.224 10.676 1.00 0.00 C ATOM 1564 O LEU A 98 4.469 5.835 11.763 1.00 0.00 O ATOM 1565 CB LEU A 98 5.831 4.688 8.937 1.00 0.00 C ATOM 1566 CG LEU A 98 6.417 3.722 9.969 1.00 0.00 C ATOM 1567 CD1 LEU A 98 5.401 2.652 10.340 1.00 0.00 C ATOM 1568 CD2 LEU A 98 7.693 3.086 9.439 1.00 0.00 C ATOM 0 H LEU A 98 4.665 6.296 7.472 1.00 0.00 H new ATOM 0 HA LEU A 98 3.786 4.746 9.600 1.00 0.00 H new ATOM 0 HB2 LEU A 98 5.581 4.125 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 98 6.601 5.408 8.659 1.00 0.00 H new ATOM 0 HG LEU A 98 6.661 4.288 10.868 1.00 0.00 H new ATOM 0 HD11 LEU A 98 5.837 1.975 11.075 1.00 0.00 H new ATOM 0 HD12 LEU A 98 4.514 3.124 10.763 1.00 0.00 H new ATOM 0 HD13 LEU A 98 5.123 2.089 9.449 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.096 2.402 10.186 1.00 0.00 H new ATOM 0 HD22 LEU A 98 7.472 2.536 8.524 1.00 0.00 H new ATOM 0 HD23 LEU A 98 8.426 3.864 9.226 1.00 0.00 H new ATOM 1580 N ASN A 99 5.641 7.317 10.539 1.00 0.00 N ATOM 1581 CA ASN A 99 6.007 8.142 11.684 1.00 0.00 C ATOM 1582 C ASN A 99 5.219 9.448 11.686 1.00 0.00 C ATOM 1583 O ASN A 99 5.173 10.158 10.682 1.00 0.00 O ATOM 1584 CB ASN A 99 7.507 8.439 11.667 1.00 0.00 C ATOM 1585 CG ASN A 99 8.347 7.177 11.736 1.00 0.00 C ATOM 1586 OD1 ASN A 99 8.695 6.593 10.710 1.00 0.00 O ATOM 1587 ND2 ASN A 99 8.675 6.751 12.951 1.00 0.00 N ATOM 0 H ASN A 99 6.003 7.651 9.646 1.00 0.00 H new ATOM 0 HA ASN A 99 5.764 7.589 12.591 1.00 0.00 H new ATOM 0 HB2 ASN A 99 7.756 8.989 10.759 1.00 0.00 H new ATOM 0 HB3 ASN A 99 7.756 9.085 12.509 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.238 5.907 13.061 1.00 0.00 H new ATOM 0 HD22 ASN A 99 8.364 7.268 13.774 1.00 0.00 H new ATOM 1594 N VAL A 100 4.600 9.758 12.821 1.00 0.00 N ATOM 1595 CA VAL A 100 3.813 10.979 12.955 1.00 0.00 C ATOM 1596 C VAL A 100 4.122 11.691 14.268 1.00 0.00 C ATOM 1597 O VAL A 100 3.718 12.836 14.474 1.00 0.00 O ATOM 1598 CB VAL A 100 2.302 10.685 12.886 1.00 0.00 C ATOM 1599 CG1 VAL A 100 1.923 10.151 11.515 1.00 0.00 C ATOM 1600 CG2 VAL A 100 1.897 9.704 13.976 1.00 0.00 C ATOM 0 H VAL A 100 4.628 9.180 13.661 1.00 0.00 H new ATOM 0 HA VAL A 100 4.088 11.625 12.121 1.00 0.00 H new ATOM 0 HB VAL A 100 1.763 11.618 13.050 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.852 9.949 11.486 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.174 10.891 10.754 1.00 0.00 H new ATOM 0 HG13 VAL A 100 2.471 9.229 11.319 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.827 9.509 13.911 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.444 8.770 13.847 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.130 10.129 14.953 1.00 0.00 H new ATOM 1610 N GLY A 101 4.841 11.007 15.152 1.00 0.00 N ATOM 1611 CA GLY A 101 5.191 11.594 16.433 1.00 0.00 C ATOM 1612 C GLY A 101 6.253 10.799 17.166 1.00 0.00 C ATOM 1613 O GLY A 101 7.316 10.515 16.615 1.00 0.00 O ATOM 0 H GLY A 101 5.187 10.059 15.005 1.00 0.00 H new ATOM 0 HA2 GLY A 101 5.547 12.612 16.277 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.298 11.660 17.055 1.00 0.00 H new ATOM 1617 N ILE A 102 5.964 10.438 18.412 1.00 0.00 N ATOM 1618 CA ILE A 102 6.901 9.671 19.224 1.00 0.00 C ATOM 1619 C ILE A 102 6.871 8.193 18.846 1.00 0.00 C ATOM 1620 O ILE A 102 5.808 7.631 18.579 1.00 0.00 O ATOM 1621 CB ILE A 102 6.592 9.818 20.729 1.00 0.00 C ATOM 1622 CG1 ILE A 102 7.595 9.021 21.567 1.00 0.00 C ATOM 1623 CG2 ILE A 102 5.169 9.368 21.026 1.00 0.00 C ATOM 1624 CD1 ILE A 102 9.023 9.507 21.432 1.00 0.00 C ATOM 0 H ILE A 102 5.087 10.665 18.882 1.00 0.00 H new ATOM 0 HA ILE A 102 7.896 10.071 19.027 1.00 0.00 H new ATOM 0 HB ILE A 102 6.684 10.870 20.997 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.301 9.072 22.615 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.548 7.972 21.273 1.00 0.00 H new ATOM 0 HG21 ILE A 102 4.967 9.478 22.092 1.00 0.00 H new ATOM 0 HG22 ILE A 102 4.468 9.980 20.459 1.00 0.00 H new ATOM 0 HG23 ILE A 102 5.051 8.323 20.741 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.676 8.895 22.054 1.00 0.00 H new ATOM 0 HD12 ILE A 102 9.337 9.430 20.391 1.00 0.00 H new ATOM 0 HD13 ILE A 102 9.085 10.547 21.754 1.00 0.00 H new ATOM 1636 N GLY A 103 8.046 7.570 18.822 1.00 0.00 N ATOM 1637 CA GLY A 103 8.131 6.163 18.476 1.00 0.00 C ATOM 1638 C GLY A 103 9.471 5.795 17.870 1.00 0.00 C ATOM 1639 O GLY A 103 10.387 5.427 18.635 1.00 0.00 O ATOM 1640 OXT GLY A 103 9.603 5.875 16.631 1.00 0.00 O ATOM 0 H GLY A 103 8.939 8.014 19.036 1.00 0.00 H new ATOM 0 HA2 GLY A 103 7.962 5.562 19.369 1.00 0.00 H new ATOM 0 HA3 GLY A 103 7.337 5.917 17.771 1.00 0.00 H new TER 1644 GLY A 103