USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 1000 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 6 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 133 SER OG : rot 173:sc= 0 USER MOD Set 2.1: A 105 HIS : no HD1:sc= 0.244 K(o=0.66,f=-0.65) USER MOD Set 2.2: A 106 SER OG : rot 71:sc= 0.419 USER MOD Set 3.1: A 44 CYS SG : rot 140:sc= 0 USER MOD Set 3.2: A 99 CYS SG : rot -55:sc= 0.242 USER MOD Set 4.1: A 54 ASN : amide:sc= -0.777 K(o=-0.04,f=-8.8!) USER MOD Set 4.2: A 56 THR OG1 : rot -121:sc= 0.737 USER MOD Single : A 1 GLY N :NH3+ 139:sc= 0.0351 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.116 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= -0.0433 K(o=-0.043,f=-0.99) USER MOD Single : A 11 GLN : amide:sc= 0.403 K(o=0.4,f=-6!) USER MOD Single : A 14 LYS NZ :NH3+ -157:sc= -0.0283 (180deg=-0.359) USER MOD Single : A 16 HIS :FLIP no HD1:sc= -3.57 F(o=-4.8,f=-3.6) USER MOD Single : A 17 TYR OH : rot -15:sc= -2.37! USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -39:sc= -2.81! USER MOD Single : A 23 CYS SG : rot 180:sc= -0.589 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.667 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0128 USER MOD Single : A 38 SER OG : rot 43:sc= 0.884 USER MOD Single : A 39 ASN : amide:sc= -0.52 X(o=-0.52,f=-0.51) USER MOD Single : A 40 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 46 CYS SG : rot 170:sc= -1.13 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -3.41! C(o=-3.4!,f=-12!) USER MOD Single : A 51 SER OG : rot -43:sc= -0.439 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0488 X(o=-0.049,f=-0.13) USER MOD Single : A 63 THR OG1 : rot 125:sc= 1.86 USER MOD Single : A 66 LYS NZ :NH3+ -120:sc= 1.21 (180deg=-1.08) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.392 K(o=-0.39,f=-1.6) USER MOD Single : A 71 HIS : no HE2:sc= -3.78! C(o=-3.8!,f=-7.3!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -168:sc= -1.63! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.639 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0096 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 118 THR OG1 : rot 115:sc=0.000242 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -2.24 K(o=-2.2,f=-6.9!) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 180:sc= -0.0803 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 18.236 2.118 24.768 1.00 0.00 N ATOM 2 CA GLY A 1 19.336 2.602 23.952 1.00 0.00 C ATOM 3 C GLY A 1 18.831 3.131 22.608 1.00 0.00 C ATOM 4 O GLY A 1 17.885 2.588 22.039 1.00 0.00 O ATOM 0 H1 GLY A 1 18.518 1.237 25.243 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.992 2.834 25.482 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.409 1.936 24.164 1.00 0.00 H new ATOM 0 HA2 GLY A 1 19.866 3.393 24.482 1.00 0.00 H new ATOM 0 HA3 GLY A 1 20.051 1.796 23.784 1.00 0.00 H new ATOM 8 N SER A 2 19.483 4.185 22.140 1.00 0.00 N ATOM 9 CA SER A 2 19.112 4.793 20.874 1.00 0.00 C ATOM 10 C SER A 2 20.264 5.651 20.347 1.00 0.00 C ATOM 11 O SER A 2 21.225 5.916 21.068 1.00 0.00 O ATOM 12 CB SER A 2 17.844 5.638 21.020 1.00 0.00 C ATOM 13 OG SER A 2 17.121 5.732 19.796 1.00 0.00 O ATOM 0 H SER A 2 20.266 4.634 22.615 1.00 0.00 H new ATOM 0 HA SER A 2 18.905 3.996 20.160 1.00 0.00 H new ATOM 0 HB2 SER A 2 17.204 5.201 21.787 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.112 6.638 21.360 1.00 0.00 H new ATOM 0 HG SER A 2 16.318 6.278 19.931 1.00 0.00 H new ATOM 19 N SER A 3 20.129 6.062 19.095 1.00 0.00 N ATOM 20 CA SER A 3 21.147 6.884 18.464 1.00 0.00 C ATOM 21 C SER A 3 20.489 7.932 17.563 1.00 0.00 C ATOM 22 O SER A 3 20.617 9.131 17.805 1.00 0.00 O ATOM 23 CB SER A 3 22.124 6.028 17.655 1.00 0.00 C ATOM 24 OG SER A 3 21.459 5.251 16.664 1.00 0.00 O ATOM 0 H SER A 3 19.330 5.841 18.501 1.00 0.00 H new ATOM 0 HA SER A 3 21.712 7.389 19.247 1.00 0.00 H new ATOM 0 HB2 SER A 3 22.860 6.673 17.176 1.00 0.00 H new ATOM 0 HB3 SER A 3 22.670 5.367 18.328 1.00 0.00 H new ATOM 0 HG SER A 3 22.117 4.720 16.168 1.00 0.00 H new ATOM 30 N GLY A 4 19.800 7.441 16.544 1.00 0.00 N ATOM 31 CA GLY A 4 19.122 8.320 15.606 1.00 0.00 C ATOM 32 C GLY A 4 19.795 8.280 14.232 1.00 0.00 C ATOM 33 O GLY A 4 20.825 7.629 14.060 1.00 0.00 O ATOM 0 H GLY A 4 19.696 6.446 16.347 1.00 0.00 H new ATOM 0 HA2 GLY A 4 18.078 8.022 15.512 1.00 0.00 H new ATOM 0 HA3 GLY A 4 19.129 9.341 15.989 1.00 0.00 H new ATOM 37 N SER A 5 19.186 8.984 13.290 1.00 0.00 N ATOM 38 CA SER A 5 19.713 9.037 11.937 1.00 0.00 C ATOM 39 C SER A 5 18.941 10.070 11.114 1.00 0.00 C ATOM 40 O SER A 5 17.786 10.370 11.414 1.00 0.00 O ATOM 41 CB SER A 5 19.644 7.664 11.264 1.00 0.00 C ATOM 42 OG SER A 5 20.929 7.203 10.858 1.00 0.00 O ATOM 0 H SER A 5 18.332 9.523 13.437 1.00 0.00 H new ATOM 0 HA SER A 5 20.761 9.334 11.990 1.00 0.00 H new ATOM 0 HB2 SER A 5 19.202 6.944 11.953 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.987 7.719 10.396 1.00 0.00 H new ATOM 0 HG SER A 5 20.842 6.323 10.435 1.00 0.00 H new ATOM 48 N SER A 6 19.609 10.587 10.094 1.00 0.00 N ATOM 49 CA SER A 6 19.000 11.581 9.226 1.00 0.00 C ATOM 50 C SER A 6 19.892 11.829 8.009 1.00 0.00 C ATOM 51 O SER A 6 21.049 11.411 7.986 1.00 0.00 O ATOM 52 CB SER A 6 18.752 12.890 9.978 1.00 0.00 C ATOM 53 OG SER A 6 17.700 13.651 9.391 1.00 0.00 O ATOM 0 H SER A 6 20.567 10.336 9.849 1.00 0.00 H new ATOM 0 HA SER A 6 18.036 11.198 8.890 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.505 12.670 11.017 1.00 0.00 H new ATOM 0 HB3 SER A 6 19.667 13.482 9.987 1.00 0.00 H new ATOM 0 HG SER A 6 17.571 14.478 9.900 1.00 0.00 H new ATOM 59 N GLY A 7 19.321 12.509 7.025 1.00 0.00 N ATOM 60 CA GLY A 7 20.050 12.819 5.807 1.00 0.00 C ATOM 61 C GLY A 7 19.229 13.732 4.894 1.00 0.00 C ATOM 62 O GLY A 7 18.073 14.031 5.186 1.00 0.00 O ATOM 0 H GLY A 7 18.361 12.854 7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 7 20.994 13.303 6.057 1.00 0.00 H new ATOM 0 HA3 GLY A 7 20.294 11.896 5.280 1.00 0.00 H new ATOM 66 N SER A 8 19.860 14.149 3.806 1.00 0.00 N ATOM 67 CA SER A 8 19.203 15.022 2.848 1.00 0.00 C ATOM 68 C SER A 8 20.058 15.151 1.586 1.00 0.00 C ATOM 69 O SER A 8 21.257 14.880 1.614 1.00 0.00 O ATOM 70 CB SER A 8 18.937 16.402 3.453 1.00 0.00 C ATOM 71 OG SER A 8 17.912 17.102 2.753 1.00 0.00 O ATOM 0 H SER A 8 20.819 13.898 3.567 1.00 0.00 H new ATOM 0 HA SER A 8 18.242 14.580 2.584 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.651 16.291 4.499 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.855 16.989 3.434 1.00 0.00 H new ATOM 0 HG SER A 8 17.770 17.977 3.170 1.00 0.00 H new ATOM 77 N TRP A 9 19.407 15.566 0.509 1.00 0.00 N ATOM 78 CA TRP A 9 20.093 15.735 -0.761 1.00 0.00 C ATOM 79 C TRP A 9 19.141 16.452 -1.720 1.00 0.00 C ATOM 80 O TRP A 9 17.949 16.577 -1.440 1.00 0.00 O ATOM 81 CB TRP A 9 20.586 14.391 -1.301 1.00 0.00 C ATOM 82 CG TRP A 9 21.925 14.470 -2.036 1.00 0.00 C ATOM 83 CD1 TRP A 9 22.944 15.310 -1.808 1.00 0.00 C ATOM 84 CD2 TRP A 9 22.353 13.638 -3.136 1.00 0.00 C ATOM 85 NE1 TRP A 9 23.992 15.081 -2.676 1.00 0.00 N ATOM 86 CE2 TRP A 9 23.621 14.032 -3.509 1.00 0.00 C ATOM 87 CE3 TRP A 9 21.689 12.587 -3.793 1.00 0.00 C ATOM 88 CZ2 TRP A 9 24.336 13.430 -4.551 1.00 0.00 C ATOM 89 CZ3 TRP A 9 22.416 11.996 -4.832 1.00 0.00 C ATOM 90 CH2 TRP A 9 23.694 12.381 -5.220 1.00 0.00 C ATOM 0 H TRP A 9 18.412 15.790 0.490 1.00 0.00 H new ATOM 0 HA TRP A 9 20.988 16.345 -0.638 1.00 0.00 H new ATOM 0 HB2 TRP A 9 20.679 13.690 -0.472 1.00 0.00 H new ATOM 0 HB3 TRP A 9 19.835 13.985 -1.978 1.00 0.00 H new ATOM 0 HD1 TRP A 9 22.945 16.071 -1.041 1.00 0.00 H new ATOM 0 HE1 TRP A 9 24.876 15.588 -2.702 1.00 0.00 H new ATOM 0 HE3 TRP A 9 20.697 12.262 -3.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 25.329 13.757 -4.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 21.951 11.183 -5.371 1.00 0.00 H new ATOM 0 HH2 TRP A 9 24.190 11.873 -6.034 1.00 0.00 H new ATOM 101 N ASN A 10 19.702 16.904 -2.832 1.00 0.00 N ATOM 102 CA ASN A 10 18.917 17.604 -3.835 1.00 0.00 C ATOM 103 C ASN A 10 17.731 16.732 -4.250 1.00 0.00 C ATOM 104 O ASN A 10 17.670 15.554 -3.900 1.00 0.00 O ATOM 105 CB ASN A 10 19.752 17.893 -5.084 1.00 0.00 C ATOM 106 CG ASN A 10 20.977 18.743 -4.742 1.00 0.00 C ATOM 107 OD1 ASN A 10 21.062 19.362 -3.693 1.00 0.00 O ATOM 108 ND2 ASN A 10 21.917 18.740 -5.682 1.00 0.00 N ATOM 0 H ASN A 10 20.691 16.799 -3.061 1.00 0.00 H new ATOM 0 HA ASN A 10 18.578 18.545 -3.401 1.00 0.00 H new ATOM 0 HB2 ASN A 10 20.072 16.954 -5.537 1.00 0.00 H new ATOM 0 HB3 ASN A 10 19.140 18.411 -5.822 1.00 0.00 H new ATOM 0 HD21 ASN A 10 22.773 19.278 -5.549 1.00 0.00 H new ATOM 0 HD22 ASN A 10 21.782 18.200 -6.537 1.00 0.00 H new ATOM 115 N GLN A 11 16.818 17.344 -4.989 1.00 0.00 N ATOM 116 CA GLN A 11 15.637 16.638 -5.455 1.00 0.00 C ATOM 117 C GLN A 11 14.893 16.009 -4.275 1.00 0.00 C ATOM 118 O GLN A 11 15.412 15.971 -3.160 1.00 0.00 O ATOM 119 CB GLN A 11 16.006 15.579 -6.497 1.00 0.00 C ATOM 120 CG GLN A 11 15.388 15.910 -7.857 1.00 0.00 C ATOM 121 CD GLN A 11 14.200 14.994 -8.157 1.00 0.00 C ATOM 122 OE1 GLN A 11 13.319 14.790 -7.339 1.00 0.00 O ATOM 123 NE2 GLN A 11 14.225 14.456 -9.373 1.00 0.00 N ATOM 0 H GLN A 11 16.872 18.321 -5.277 1.00 0.00 H new ATOM 0 HA GLN A 11 14.974 17.358 -5.935 1.00 0.00 H new ATOM 0 HB2 GLN A 11 17.090 15.519 -6.591 1.00 0.00 H new ATOM 0 HB3 GLN A 11 15.660 14.600 -6.165 1.00 0.00 H new ATOM 0 HG2 GLN A 11 15.062 16.950 -7.869 1.00 0.00 H new ATOM 0 HG3 GLN A 11 16.141 15.803 -8.638 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.993 14.669 -10.009 1.00 0.00 H new ATOM 0 HE22 GLN A 11 13.476 13.830 -9.669 1.00 0.00 H new ATOM 132 N ALA A 12 13.691 15.532 -4.560 1.00 0.00 N ATOM 133 CA ALA A 12 12.871 14.908 -3.536 1.00 0.00 C ATOM 134 C ALA A 12 12.210 13.654 -4.112 1.00 0.00 C ATOM 135 O ALA A 12 11.946 13.582 -5.311 1.00 0.00 O ATOM 136 CB ALA A 12 11.848 15.918 -3.013 1.00 0.00 C ATOM 0 H ALA A 12 13.265 15.565 -5.486 1.00 0.00 H new ATOM 0 HA ALA A 12 13.485 14.599 -2.690 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.233 15.449 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.369 16.776 -2.587 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.212 16.250 -3.834 1.00 0.00 H new ATOM 142 N PRO A 13 11.954 12.672 -3.207 1.00 0.00 N ATOM 143 CA PRO A 13 11.328 11.425 -3.613 1.00 0.00 C ATOM 144 C PRO A 13 9.833 11.621 -3.875 1.00 0.00 C ATOM 145 O PRO A 13 9.138 12.251 -3.080 1.00 0.00 O ATOM 146 CB PRO A 13 11.610 10.455 -2.477 1.00 0.00 C ATOM 147 CG PRO A 13 11.976 11.313 -1.277 1.00 0.00 C ATOM 148 CD PRO A 13 12.252 12.721 -1.779 1.00 0.00 C ATOM 0 HA PRO A 13 11.724 11.042 -4.553 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.737 9.838 -2.264 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.424 9.777 -2.735 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.164 11.319 -0.550 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.853 10.909 -0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.626 13.453 -1.269 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.288 13.009 -1.601 1.00 0.00 H new ATOM 156 N LYS A 14 9.383 11.069 -4.992 1.00 0.00 N ATOM 157 CA LYS A 14 7.984 11.175 -5.368 1.00 0.00 C ATOM 158 C LYS A 14 7.359 9.779 -5.392 1.00 0.00 C ATOM 159 O LYS A 14 8.041 8.795 -5.673 1.00 0.00 O ATOM 160 CB LYS A 14 7.840 11.936 -6.688 1.00 0.00 C ATOM 161 CG LYS A 14 7.305 13.349 -6.452 1.00 0.00 C ATOM 162 CD LYS A 14 6.713 13.933 -7.736 1.00 0.00 C ATOM 163 CE LYS A 14 7.803 14.564 -8.605 1.00 0.00 C ATOM 164 NZ LYS A 14 8.307 15.808 -7.981 1.00 0.00 N ATOM 0 H LYS A 14 9.963 10.547 -5.649 1.00 0.00 H new ATOM 0 HA LYS A 14 7.434 11.758 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 14 8.807 11.989 -7.189 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.166 11.395 -7.352 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.543 13.328 -5.673 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.110 13.991 -6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.205 13.148 -8.296 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.962 14.683 -7.486 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.623 13.859 -8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.405 14.782 -9.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.730 16.416 -8.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.519 16.312 -7.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.026 15.572 -7.268 1.00 0.00 H new ATOM 178 N LEU A 15 6.069 9.738 -5.093 1.00 0.00 N ATOM 179 CA LEU A 15 5.344 8.479 -5.076 1.00 0.00 C ATOM 180 C LEU A 15 3.939 8.696 -5.639 1.00 0.00 C ATOM 181 O LEU A 15 3.123 9.389 -5.033 1.00 0.00 O ATOM 182 CB LEU A 15 5.356 7.872 -3.671 1.00 0.00 C ATOM 183 CG LEU A 15 4.298 6.803 -3.393 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.299 5.734 -4.487 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.484 6.197 -2.000 1.00 0.00 C ATOM 0 H LEU A 15 5.507 10.557 -4.860 1.00 0.00 H new ATOM 0 HA LEU A 15 5.836 7.749 -5.718 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.339 7.436 -3.493 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.229 8.677 -2.948 1.00 0.00 H new ATOM 0 HG LEU A 15 3.318 7.280 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 15 3.538 4.986 -4.265 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.083 6.198 -5.449 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.277 5.255 -4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.719 5.440 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.470 5.738 -1.931 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.395 6.981 -1.248 1.00 0.00 H new ATOM 197 N HIS A 16 3.699 8.091 -6.794 1.00 0.00 N ATOM 198 CA HIS A 16 2.406 8.210 -7.446 1.00 0.00 C ATOM 199 C HIS A 16 1.463 7.128 -6.917 1.00 0.00 C ATOM 200 O HIS A 16 1.868 5.981 -6.736 1.00 0.00 O ATOM 201 CB HIS A 16 2.560 8.171 -8.968 1.00 0.00 C ATOM 202 CG HIS A 16 1.395 8.771 -9.718 1.00 0.00 C ATOM 203 ND1 HIS A 16 0.820 10.005 -9.634 1.00 0.00 N flip ATOM 204 CD2 HIS A 16 0.688 8.076 -10.685 1.00 0.00 C flip ATOM 205 CE1 HIS A 16 -0.182 10.062 -10.502 1.00 0.00 C flip ATOM 206 NE2 HIS A 16 -0.266 8.867 -11.155 1.00 0.00 N flip ATOM 0 H HIS A 16 4.378 7.517 -7.294 1.00 0.00 H new ATOM 0 HA HIS A 16 1.962 9.177 -7.209 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.470 8.703 -9.245 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.688 7.136 -9.284 1.00 0.00 H new ATOM 0 HD2 HIS A 16 0.881 7.062 -11.002 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.825 10.914 -10.665 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -0.944 8.625 -11.878 1.00 0.00 H new ATOM 214 N TYR A 17 0.222 7.531 -6.685 1.00 0.00 N ATOM 215 CA TYR A 17 -0.782 6.610 -6.180 1.00 0.00 C ATOM 216 C TYR A 17 -2.192 7.095 -6.522 1.00 0.00 C ATOM 217 O TYR A 17 -2.491 8.282 -6.399 1.00 0.00 O ATOM 218 CB TYR A 17 -0.615 6.596 -4.660 1.00 0.00 C ATOM 219 CG TYR A 17 -0.526 7.988 -4.030 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.677 8.656 -3.667 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.707 8.575 -3.827 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.593 9.966 -3.075 1.00 0.00 C ATOM 223 CE2 TYR A 17 0.791 9.885 -3.234 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.363 10.516 -2.888 1.00 0.00 C ATOM 225 OH TYR A 17 -0.283 11.753 -2.328 1.00 0.00 O ATOM 0 H TYR A 17 -0.111 8.483 -6.838 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.655 5.622 -6.623 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.456 6.061 -4.217 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.286 6.037 -4.409 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.641 8.196 -3.827 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.608 8.052 -4.113 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.486 10.500 -2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.749 10.356 -3.068 1.00 0.00 H new ATOM 0 HH TYR A 17 -1.165 12.180 -2.352 1.00 0.00 H new ATOM 235 N CYS A 18 -3.022 6.153 -6.945 1.00 0.00 N ATOM 236 CA CYS A 18 -4.393 6.469 -7.306 1.00 0.00 C ATOM 237 C CYS A 18 -5.321 5.843 -6.262 1.00 0.00 C ATOM 238 O CYS A 18 -5.469 4.623 -6.211 1.00 0.00 O ATOM 239 CB CYS A 18 -4.728 5.999 -8.723 1.00 0.00 C ATOM 240 SG CYS A 18 -6.537 6.069 -8.994 1.00 0.00 S ATOM 0 H CYS A 18 -2.771 5.170 -7.046 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.530 7.550 -7.311 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.218 6.627 -9.453 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.369 4.981 -8.872 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.811 5.670 -10.200 1.00 0.00 H new ATOM 246 N LEU A 19 -5.921 6.707 -5.457 1.00 0.00 N ATOM 247 CA LEU A 19 -6.830 6.254 -4.418 1.00 0.00 C ATOM 248 C LEU A 19 -8.215 6.017 -5.025 1.00 0.00 C ATOM 249 O LEU A 19 -8.729 6.863 -5.755 1.00 0.00 O ATOM 250 CB LEU A 19 -6.834 7.236 -3.244 1.00 0.00 C ATOM 251 CG LEU A 19 -5.461 7.649 -2.711 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.480 6.475 -2.754 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.926 8.870 -3.461 1.00 0.00 C ATOM 0 H LEU A 19 -5.796 7.718 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.494 5.302 -4.007 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.369 8.135 -3.550 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.401 6.791 -2.426 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.573 7.937 -1.666 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.512 6.796 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.862 5.659 -2.140 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.367 6.133 -3.783 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.949 9.143 -3.062 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.832 8.634 -4.521 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.615 9.705 -3.335 1.00 0.00 H new ATOM 265 N ASP A 20 -8.778 4.863 -4.701 1.00 0.00 N ATOM 266 CA ASP A 20 -10.092 4.503 -5.206 1.00 0.00 C ATOM 267 C ASP A 20 -10.760 3.532 -4.231 1.00 0.00 C ATOM 268 O ASP A 20 -10.323 2.391 -4.088 1.00 0.00 O ATOM 269 CB ASP A 20 -9.990 3.812 -6.567 1.00 0.00 C ATOM 270 CG ASP A 20 -11.311 3.272 -7.119 1.00 0.00 C ATOM 271 OD1 ASP A 20 -12.019 4.066 -7.775 1.00 0.00 O ATOM 272 OD2 ASP A 20 -11.582 2.077 -6.872 1.00 0.00 O ATOM 0 H ASP A 20 -8.348 4.164 -4.095 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.675 5.418 -5.310 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.575 4.518 -7.286 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.283 2.986 -6.486 1.00 0.00 H new ATOM 277 N TYR A 21 -11.809 4.019 -3.584 1.00 0.00 N ATOM 278 CA TYR A 21 -12.541 3.208 -2.627 1.00 0.00 C ATOM 279 C TYR A 21 -13.814 2.636 -3.253 1.00 0.00 C ATOM 280 O TYR A 21 -14.709 3.385 -3.644 1.00 0.00 O ATOM 281 CB TYR A 21 -12.928 4.150 -1.485 1.00 0.00 C ATOM 282 CG TYR A 21 -13.545 3.443 -0.277 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.734 2.784 0.626 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.912 3.463 -0.089 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.315 2.119 1.763 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.493 2.797 1.048 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.666 2.158 1.918 1.00 0.00 C ATOM 288 OH TYR A 21 -15.214 1.529 2.992 1.00 0.00 O ATOM 0 H TYR A 21 -12.169 4.966 -3.704 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.932 2.369 -2.290 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -12.041 4.694 -1.160 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.636 4.889 -1.861 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.664 2.768 0.479 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.546 3.978 -0.795 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.692 1.601 2.477 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.561 2.805 1.206 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.741 0.686 3.154 1.00 0.00 H new ATOM 298 N ASP A 22 -13.856 1.314 -3.330 1.00 0.00 N ATOM 299 CA ASP A 22 -15.004 0.633 -3.902 1.00 0.00 C ATOM 300 C ASP A 22 -15.971 0.243 -2.782 1.00 0.00 C ATOM 301 O ASP A 22 -15.908 -0.871 -2.263 1.00 0.00 O ATOM 302 CB ASP A 22 -14.581 -0.646 -4.628 1.00 0.00 C ATOM 303 CG ASP A 22 -14.607 -0.561 -6.155 1.00 0.00 C ATOM 304 OD1 ASP A 22 -15.126 0.460 -6.658 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.109 -1.518 -6.786 1.00 0.00 O ATOM 0 H ASP A 22 -13.112 0.696 -3.005 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.478 1.311 -4.612 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.572 -0.909 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.236 -1.458 -4.313 1.00 0.00 H new ATOM 310 N CYS A 23 -16.843 1.181 -2.442 1.00 0.00 N ATOM 311 CA CYS A 23 -17.821 0.949 -1.393 1.00 0.00 C ATOM 312 C CYS A 23 -18.400 -0.455 -1.578 1.00 0.00 C ATOM 313 O CYS A 23 -18.726 -1.129 -0.603 1.00 0.00 O ATOM 314 CB CYS A 23 -18.913 2.021 -1.391 1.00 0.00 C ATOM 315 SG CYS A 23 -20.130 1.677 -2.713 1.00 0.00 S ATOM 0 H CYS A 23 -16.892 2.103 -2.875 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.336 1.015 -0.419 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.412 2.042 -0.422 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.469 3.005 -1.541 1.00 0.00 H new ATOM 0 HG CYS A 23 -21.054 2.592 -2.701 1.00 0.00 H new ATOM 321 N GLN A 24 -18.510 -0.854 -2.837 1.00 0.00 N ATOM 322 CA GLN A 24 -19.045 -2.165 -3.162 1.00 0.00 C ATOM 323 C GLN A 24 -18.268 -3.254 -2.419 1.00 0.00 C ATOM 324 O GLN A 24 -18.865 -4.129 -1.792 1.00 0.00 O ATOM 325 CB GLN A 24 -19.019 -2.408 -4.673 1.00 0.00 C ATOM 326 CG GLN A 24 -19.456 -1.157 -5.437 1.00 0.00 C ATOM 327 CD GLN A 24 -20.524 -1.496 -6.479 1.00 0.00 C ATOM 328 OE1 GLN A 24 -21.644 -1.015 -6.438 1.00 0.00 O ATOM 329 NE2 GLN A 24 -20.115 -2.349 -7.414 1.00 0.00 N ATOM 0 H GLN A 24 -18.238 -0.292 -3.644 1.00 0.00 H new ATOM 0 HA GLN A 24 -20.085 -2.202 -2.838 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -18.014 -2.694 -4.982 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.678 -3.240 -4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.847 -0.418 -4.738 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -18.593 -0.707 -5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -19.163 -2.714 -7.390 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -20.753 -2.638 -8.155 1.00 0.00 H new ATOM 338 N LYS A 25 -16.950 -3.165 -2.513 1.00 0.00 N ATOM 339 CA LYS A 25 -16.086 -4.132 -1.857 1.00 0.00 C ATOM 340 C LYS A 25 -15.774 -3.651 -0.438 1.00 0.00 C ATOM 341 O LYS A 25 -15.615 -4.460 0.475 1.00 0.00 O ATOM 342 CB LYS A 25 -14.839 -4.398 -2.703 1.00 0.00 C ATOM 343 CG LYS A 25 -15.190 -4.458 -4.192 1.00 0.00 C ATOM 344 CD LYS A 25 -14.275 -5.436 -4.931 1.00 0.00 C ATOM 345 CE LYS A 25 -15.052 -6.214 -5.996 1.00 0.00 C ATOM 346 NZ LYS A 25 -14.214 -6.424 -7.198 1.00 0.00 N ATOM 0 H LYS A 25 -16.459 -2.438 -3.033 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.592 -5.093 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -14.103 -3.612 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.380 -5.338 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.229 -4.765 -4.312 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.098 -3.465 -4.632 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.456 -4.890 -5.399 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.830 -6.132 -4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.369 -7.176 -5.593 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.956 -5.668 -6.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.756 -6.953 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -13.933 -5.503 -7.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.364 -6.964 -6.938 1.00 0.00 H new ATOM 360 N ALA A 26 -15.696 -2.336 -0.297 1.00 0.00 N ATOM 361 CA ALA A 26 -15.407 -1.737 0.995 1.00 0.00 C ATOM 362 C ALA A 26 -13.907 -1.845 1.277 1.00 0.00 C ATOM 363 O ALA A 26 -13.501 -2.081 2.414 1.00 0.00 O ATOM 364 CB ALA A 26 -16.253 -2.416 2.073 1.00 0.00 C ATOM 0 H ALA A 26 -15.828 -1.668 -1.057 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.668 -0.679 0.995 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -16.036 -1.967 3.042 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.310 -2.286 1.841 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -16.016 -3.480 2.105 1.00 0.00 H new ATOM 370 N GLU A 27 -13.124 -1.668 0.223 1.00 0.00 N ATOM 371 CA GLU A 27 -11.678 -1.742 0.343 1.00 0.00 C ATOM 372 C GLU A 27 -11.022 -0.583 -0.409 1.00 0.00 C ATOM 373 O GLU A 27 -11.431 -0.250 -1.521 1.00 0.00 O ATOM 374 CB GLU A 27 -11.155 -3.089 -0.160 1.00 0.00 C ATOM 375 CG GLU A 27 -11.979 -4.245 0.409 1.00 0.00 C ATOM 376 CD GLU A 27 -12.749 -4.967 -0.700 1.00 0.00 C ATOM 377 OE1 GLU A 27 -12.338 -4.811 -1.870 1.00 0.00 O ATOM 378 OE2 GLU A 27 -13.729 -5.660 -0.351 1.00 0.00 O ATOM 0 H GLU A 27 -13.464 -1.473 -0.719 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.416 -1.658 1.398 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -11.192 -3.113 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.110 -3.207 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.321 -4.949 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.678 -3.866 1.155 1.00 0.00 H new ATOM 385 N LEU A 28 -10.017 0.000 0.227 1.00 0.00 N ATOM 386 CA LEU A 28 -9.300 1.115 -0.369 1.00 0.00 C ATOM 387 C LEU A 28 -8.251 0.579 -1.345 1.00 0.00 C ATOM 388 O LEU A 28 -7.560 -0.394 -1.047 1.00 0.00 O ATOM 389 CB LEU A 28 -8.721 2.022 0.719 1.00 0.00 C ATOM 390 CG LEU A 28 -8.200 3.382 0.250 1.00 0.00 C ATOM 391 CD1 LEU A 28 -6.818 3.249 -0.391 1.00 0.00 C ATOM 392 CD2 LEU A 28 -9.203 4.061 -0.686 1.00 0.00 C ATOM 0 H LEU A 28 -9.682 -0.279 1.149 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.981 1.741 -0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.491 2.190 1.472 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.905 1.492 1.210 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.089 4.024 1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.471 4.230 -0.715 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -6.117 2.839 0.336 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.879 2.583 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.808 5.026 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.370 3.431 -1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -10.147 4.211 -0.161 1.00 0.00 H new ATOM 404 N PHE A 29 -8.166 1.237 -2.492 1.00 0.00 N ATOM 405 CA PHE A 29 -7.213 0.838 -3.514 1.00 0.00 C ATOM 406 C PHE A 29 -6.224 1.967 -3.812 1.00 0.00 C ATOM 407 O PHE A 29 -6.585 3.142 -3.762 1.00 0.00 O ATOM 408 CB PHE A 29 -8.016 0.533 -4.780 1.00 0.00 C ATOM 409 CG PHE A 29 -8.936 -0.683 -4.655 1.00 0.00 C ATOM 410 CD1 PHE A 29 -10.061 -0.609 -3.894 1.00 0.00 C ATOM 411 CD2 PHE A 29 -8.630 -1.838 -5.304 1.00 0.00 C ATOM 412 CE1 PHE A 29 -10.915 -1.738 -3.777 1.00 0.00 C ATOM 413 CE2 PHE A 29 -9.484 -2.967 -5.187 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.608 -2.893 -4.426 1.00 0.00 C ATOM 0 H PHE A 29 -8.741 2.043 -2.736 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.644 -0.028 -3.174 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.617 1.406 -5.036 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.324 0.369 -5.606 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -10.305 0.308 -3.379 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.737 -1.897 -5.909 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.808 -1.679 -3.173 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -9.240 -3.884 -5.703 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.257 -3.751 -4.337 1.00 0.00 H new ATOM 424 N VAL A 30 -4.997 1.571 -4.116 1.00 0.00 N ATOM 425 CA VAL A 30 -3.954 2.535 -4.422 1.00 0.00 C ATOM 426 C VAL A 30 -3.160 2.052 -5.637 1.00 0.00 C ATOM 427 O VAL A 30 -2.124 1.406 -5.490 1.00 0.00 O ATOM 428 CB VAL A 30 -3.078 2.767 -3.189 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.917 3.710 -3.511 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.907 3.298 -2.019 1.00 0.00 C ATOM 0 H VAL A 30 -4.702 0.596 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.390 3.500 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.657 1.806 -2.892 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.310 3.858 -2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.303 3.275 -4.299 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.310 4.670 -3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.260 3.454 -1.156 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.370 4.244 -2.301 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.683 2.575 -1.765 1.00 0.00 H new ATOM 440 N THR A 31 -3.676 2.385 -6.811 1.00 0.00 N ATOM 441 CA THR A 31 -3.029 1.994 -8.052 1.00 0.00 C ATOM 442 C THR A 31 -2.132 3.122 -8.564 1.00 0.00 C ATOM 443 O THR A 31 -1.806 4.047 -7.822 1.00 0.00 O ATOM 444 CB THR A 31 -4.118 1.584 -9.045 1.00 0.00 C ATOM 445 OG1 THR A 31 -4.876 2.775 -9.239 1.00 0.00 O ATOM 446 CG2 THR A 31 -5.120 0.598 -8.442 1.00 0.00 C ATOM 0 H THR A 31 -4.535 2.922 -6.929 1.00 0.00 H new ATOM 0 HA THR A 31 -2.369 1.140 -7.902 1.00 0.00 H new ATOM 0 HB THR A 31 -3.657 1.138 -9.926 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.604 2.600 -9.871 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.871 0.340 -9.189 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.597 -0.305 -8.126 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.607 1.055 -7.581 1.00 0.00 H new ATOM 454 N ARG A 32 -1.758 3.009 -9.830 1.00 0.00 N ATOM 455 CA ARG A 32 -0.905 4.008 -10.451 1.00 0.00 C ATOM 456 C ARG A 32 0.342 4.246 -9.597 1.00 0.00 C ATOM 457 O ARG A 32 0.695 5.389 -9.311 1.00 0.00 O ATOM 458 CB ARG A 32 -1.650 5.332 -10.633 1.00 0.00 C ATOM 459 CG ARG A 32 -2.962 5.123 -11.391 1.00 0.00 C ATOM 460 CD ARG A 32 -2.705 4.914 -12.885 1.00 0.00 C ATOM 461 NE ARG A 32 -3.991 4.836 -13.614 1.00 0.00 N ATOM 462 CZ ARG A 32 -4.119 4.365 -14.862 1.00 0.00 C ATOM 463 NH1 ARG A 32 -3.041 3.929 -15.528 1.00 0.00 N ATOM 464 NH2 ARG A 32 -5.325 4.332 -15.444 1.00 0.00 N ATOM 0 H ARG A 32 -2.030 2.240 -10.443 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.612 3.631 -11.431 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.856 5.775 -9.658 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.020 6.036 -11.177 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.487 4.259 -10.984 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.611 5.987 -11.247 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -2.104 5.735 -13.277 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.134 3.999 -13.040 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.832 5.161 -13.137 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.123 3.956 -15.085 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.139 3.571 -16.478 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.145 4.665 -14.937 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.423 3.974 -16.394 1.00 0.00 H new ATOM 478 N LEU A 33 0.976 3.147 -9.214 1.00 0.00 N ATOM 479 CA LEU A 33 2.176 3.222 -8.399 1.00 0.00 C ATOM 480 C LEU A 33 3.353 3.665 -9.270 1.00 0.00 C ATOM 481 O LEU A 33 3.765 2.943 -10.177 1.00 0.00 O ATOM 482 CB LEU A 33 2.414 1.896 -7.672 1.00 0.00 C ATOM 483 CG LEU A 33 1.588 1.669 -6.404 1.00 0.00 C ATOM 484 CD1 LEU A 33 1.534 2.938 -5.551 1.00 0.00 C ATOM 485 CD2 LEU A 33 0.191 1.148 -6.746 1.00 0.00 C ATOM 0 H LEU A 33 0.681 2.200 -9.453 1.00 0.00 H new ATOM 0 HA LEU A 33 2.058 3.972 -7.617 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.208 1.082 -8.367 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.470 1.832 -7.410 1.00 0.00 H new ATOM 0 HG LEU A 33 2.081 0.901 -5.808 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.941 2.750 -4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.545 3.226 -5.263 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.077 3.744 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.375 0.995 -5.827 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -0.325 1.875 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.276 0.202 -7.281 1.00 0.00 H new ATOM 497 N GLU A 34 3.862 4.850 -8.965 1.00 0.00 N ATOM 498 CA GLU A 34 4.983 5.397 -9.709 1.00 0.00 C ATOM 499 C GLU A 34 5.945 6.120 -8.765 1.00 0.00 C ATOM 500 O GLU A 34 5.820 7.325 -8.548 1.00 0.00 O ATOM 501 CB GLU A 34 4.499 6.332 -10.820 1.00 0.00 C ATOM 502 CG GLU A 34 3.222 5.796 -11.470 1.00 0.00 C ATOM 503 CD GLU A 34 2.826 6.644 -12.681 1.00 0.00 C ATOM 504 OE1 GLU A 34 3.751 7.197 -13.313 1.00 0.00 O ATOM 505 OE2 GLU A 34 1.607 6.719 -12.946 1.00 0.00 O ATOM 0 H GLU A 34 3.518 5.446 -8.212 1.00 0.00 H new ATOM 0 HA GLU A 34 5.518 4.572 -10.180 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.313 7.325 -10.410 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.278 6.440 -11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.374 4.762 -11.779 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.411 5.795 -10.741 1.00 0.00 H new ATOM 512 N ALA A 35 6.883 5.355 -8.227 1.00 0.00 N ATOM 513 CA ALA A 35 7.866 5.907 -7.311 1.00 0.00 C ATOM 514 C ALA A 35 8.917 6.685 -8.105 1.00 0.00 C ATOM 515 O ALA A 35 9.545 6.140 -9.012 1.00 0.00 O ATOM 516 CB ALA A 35 8.480 4.779 -6.480 1.00 0.00 C ATOM 0 H ALA A 35 6.983 4.356 -8.408 1.00 0.00 H new ATOM 0 HA ALA A 35 7.395 6.604 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.218 5.193 -5.793 1.00 0.00 H new ATOM 0 HB2 ALA A 35 7.696 4.277 -5.912 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.964 4.061 -7.142 1.00 0.00 H new ATOM 522 N VAL A 36 9.077 7.948 -7.736 1.00 0.00 N ATOM 523 CA VAL A 36 10.041 8.806 -8.403 1.00 0.00 C ATOM 524 C VAL A 36 11.130 9.212 -7.408 1.00 0.00 C ATOM 525 O VAL A 36 11.176 10.360 -6.967 1.00 0.00 O ATOM 526 CB VAL A 36 9.328 10.005 -9.031 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.318 11.128 -9.346 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.554 9.589 -10.283 1.00 0.00 C ATOM 0 H VAL A 36 8.555 8.397 -6.984 1.00 0.00 H new ATOM 0 HA VAL A 36 10.528 8.271 -9.218 1.00 0.00 H new ATOM 0 HB VAL A 36 8.610 10.386 -8.305 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.785 11.968 -9.792 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.804 11.453 -8.426 1.00 0.00 H new ATOM 0 HG13 VAL A 36 11.071 10.764 -10.045 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.057 10.460 -10.709 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.244 9.171 -11.015 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.809 8.839 -10.018 1.00 0.00 H new ATOM 538 N THR A 37 11.979 8.249 -7.083 1.00 0.00 N ATOM 539 CA THR A 37 13.064 8.491 -6.148 1.00 0.00 C ATOM 540 C THR A 37 14.304 8.997 -6.889 1.00 0.00 C ATOM 541 O THR A 37 14.225 9.362 -8.061 1.00 0.00 O ATOM 542 CB THR A 37 13.309 7.201 -5.363 1.00 0.00 C ATOM 543 OG1 THR A 37 13.629 6.240 -6.365 1.00 0.00 O ATOM 544 CG2 THR A 37 12.033 6.657 -4.717 1.00 0.00 C ATOM 0 H THR A 37 11.937 7.299 -7.451 1.00 0.00 H new ATOM 0 HA THR A 37 12.806 9.276 -5.437 1.00 0.00 H new ATOM 0 HB THR A 37 14.057 7.383 -4.591 1.00 0.00 H new ATOM 0 HG1 THR A 37 13.805 5.373 -5.943 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.263 5.741 -4.172 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.630 7.398 -4.027 1.00 0.00 H new ATOM 0 HG23 THR A 37 11.296 6.444 -5.491 1.00 0.00 H new ATOM 552 N SER A 38 15.420 9.001 -6.175 1.00 0.00 N ATOM 553 CA SER A 38 16.674 9.456 -6.750 1.00 0.00 C ATOM 554 C SER A 38 17.851 8.850 -5.983 1.00 0.00 C ATOM 555 O SER A 38 18.358 9.453 -5.038 1.00 0.00 O ATOM 556 CB SER A 38 16.764 10.983 -6.740 1.00 0.00 C ATOM 557 OG SER A 38 16.718 11.512 -5.418 1.00 0.00 O ATOM 0 H SER A 38 15.482 8.696 -5.204 1.00 0.00 H new ATOM 0 HA SER A 38 16.714 9.124 -7.788 1.00 0.00 H new ATOM 0 HB2 SER A 38 17.690 11.295 -7.223 1.00 0.00 H new ATOM 0 HB3 SER A 38 15.944 11.398 -7.325 1.00 0.00 H new ATOM 0 HG SER A 38 17.279 10.967 -4.828 1.00 0.00 H new ATOM 563 N ASN A 39 18.253 7.665 -6.419 1.00 0.00 N ATOM 564 CA ASN A 39 19.361 6.971 -5.785 1.00 0.00 C ATOM 565 C ASN A 39 20.006 6.020 -6.795 1.00 0.00 C ATOM 566 O ASN A 39 19.378 5.636 -7.780 1.00 0.00 O ATOM 567 CB ASN A 39 18.882 6.140 -4.593 1.00 0.00 C ATOM 568 CG ASN A 39 20.066 5.613 -3.780 1.00 0.00 C ATOM 569 OD1 ASN A 39 20.727 6.340 -3.057 1.00 0.00 O ATOM 570 ND2 ASN A 39 20.295 4.313 -3.937 1.00 0.00 N ATOM 0 H ASN A 39 17.831 7.168 -7.204 1.00 0.00 H new ATOM 0 HA ASN A 39 20.074 7.720 -5.439 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.241 6.748 -3.955 1.00 0.00 H new ATOM 0 HB3 ASN A 39 18.279 5.304 -4.947 1.00 0.00 H new ATOM 0 HD21 ASN A 39 21.063 3.866 -3.436 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.703 3.762 -4.558 1.00 0.00 H new ATOM 577 N HIS A 40 21.253 5.667 -6.516 1.00 0.00 N ATOM 578 CA HIS A 40 21.990 4.769 -7.387 1.00 0.00 C ATOM 579 C HIS A 40 21.133 3.541 -7.702 1.00 0.00 C ATOM 580 O HIS A 40 20.722 2.818 -6.796 1.00 0.00 O ATOM 581 CB HIS A 40 23.343 4.405 -6.774 1.00 0.00 C ATOM 582 CG HIS A 40 24.302 5.567 -6.670 1.00 0.00 C ATOM 583 ND1 HIS A 40 24.712 6.095 -5.458 1.00 0.00 N ATOM 584 CD2 HIS A 40 24.928 6.296 -7.638 1.00 0.00 C ATOM 585 CE1 HIS A 40 25.546 7.096 -5.698 1.00 0.00 C ATOM 586 NE2 HIS A 40 25.678 7.220 -7.050 1.00 0.00 N ATOM 0 H HIS A 40 21.771 5.988 -5.698 1.00 0.00 H new ATOM 0 HA HIS A 40 22.207 5.270 -8.330 1.00 0.00 H new ATOM 0 HB2 HIS A 40 23.180 3.991 -5.779 1.00 0.00 H new ATOM 0 HB3 HIS A 40 23.803 3.620 -7.374 1.00 0.00 H new ATOM 0 HD2 HIS A 40 24.830 6.147 -8.703 1.00 0.00 H new ATOM 0 HE1 HIS A 40 26.035 7.707 -4.954 1.00 0.00 H new ATOM 0 HE2 HIS A 40 26.257 7.909 -7.530 1.00 0.00 H new ATOM 594 N ASP A 41 20.889 3.343 -8.989 1.00 0.00 N ATOM 595 CA ASP A 41 20.088 2.216 -9.434 1.00 0.00 C ATOM 596 C ASP A 41 20.949 0.951 -9.429 1.00 0.00 C ATOM 597 O ASP A 41 22.170 1.027 -9.307 1.00 0.00 O ATOM 598 CB ASP A 41 19.575 2.433 -10.859 1.00 0.00 C ATOM 599 CG ASP A 41 20.664 2.651 -11.912 1.00 0.00 C ATOM 600 OD1 ASP A 41 21.442 1.697 -12.130 1.00 0.00 O ATOM 601 OD2 ASP A 41 20.694 3.767 -12.475 1.00 0.00 O ATOM 0 H ASP A 41 21.232 3.944 -9.738 1.00 0.00 H new ATOM 0 HA ASP A 41 19.240 2.117 -8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 41 18.977 1.569 -11.150 1.00 0.00 H new ATOM 0 HB3 ASP A 41 18.910 3.296 -10.862 1.00 0.00 H new ATOM 606 N GLY A 42 20.278 -0.184 -9.563 1.00 0.00 N ATOM 607 CA GLY A 42 20.966 -1.463 -9.575 1.00 0.00 C ATOM 608 C GLY A 42 21.463 -1.832 -8.176 1.00 0.00 C ATOM 609 O GLY A 42 22.370 -1.191 -7.647 1.00 0.00 O ATOM 0 H GLY A 42 19.265 -0.244 -9.664 1.00 0.00 H new ATOM 0 HA2 GLY A 42 20.293 -2.238 -9.942 1.00 0.00 H new ATOM 0 HA3 GLY A 42 21.809 -1.420 -10.265 1.00 0.00 H new ATOM 613 N GLY A 43 20.847 -2.863 -7.616 1.00 0.00 N ATOM 614 CA GLY A 43 21.215 -3.324 -6.288 1.00 0.00 C ATOM 615 C GLY A 43 19.995 -3.374 -5.367 1.00 0.00 C ATOM 616 O GLY A 43 19.469 -2.335 -4.970 1.00 0.00 O ATOM 0 H GLY A 43 20.095 -3.392 -8.058 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.665 -4.314 -6.355 1.00 0.00 H new ATOM 0 HA3 GLY A 43 21.968 -2.659 -5.864 1.00 0.00 H new ATOM 620 N CYS A 44 19.580 -4.593 -5.053 1.00 0.00 N ATOM 621 CA CYS A 44 18.431 -4.792 -4.186 1.00 0.00 C ATOM 622 C CYS A 44 17.188 -4.265 -4.906 1.00 0.00 C ATOM 623 O CYS A 44 17.250 -3.248 -5.596 1.00 0.00 O ATOM 624 CB CYS A 44 18.628 -4.123 -2.824 1.00 0.00 C ATOM 625 SG CYS A 44 18.990 -5.388 -1.552 1.00 0.00 S ATOM 0 H CYS A 44 20.019 -5.452 -5.384 1.00 0.00 H new ATOM 0 HA CYS A 44 18.307 -5.855 -3.981 1.00 0.00 H new ATOM 0 HB2 CYS A 44 19.446 -3.405 -2.877 1.00 0.00 H new ATOM 0 HB3 CYS A 44 17.732 -3.566 -2.550 1.00 0.00 H new ATOM 0 HG CYS A 44 19.909 -4.943 -0.747 1.00 0.00 H new ATOM 631 N ASP A 45 16.088 -4.980 -4.721 1.00 0.00 N ATOM 632 CA ASP A 45 14.833 -4.597 -5.344 1.00 0.00 C ATOM 633 C ASP A 45 14.067 -3.661 -4.407 1.00 0.00 C ATOM 634 O ASP A 45 14.056 -3.865 -3.194 1.00 0.00 O ATOM 635 CB ASP A 45 13.954 -5.821 -5.611 1.00 0.00 C ATOM 636 CG ASP A 45 14.707 -7.066 -6.085 1.00 0.00 C ATOM 637 OD1 ASP A 45 15.191 -7.032 -7.237 1.00 0.00 O ATOM 638 OD2 ASP A 45 14.780 -8.023 -5.285 1.00 0.00 O ATOM 0 H ASP A 45 16.040 -5.823 -4.148 1.00 0.00 H new ATOM 0 HA ASP A 45 15.063 -4.105 -6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 45 13.413 -6.068 -4.697 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.209 -5.558 -6.361 1.00 0.00 H new ATOM 643 N CYS A 46 13.447 -2.654 -5.005 1.00 0.00 N ATOM 644 CA CYS A 46 12.681 -1.686 -4.238 1.00 0.00 C ATOM 645 C CYS A 46 11.193 -1.990 -4.431 1.00 0.00 C ATOM 646 O CYS A 46 10.807 -2.619 -5.415 1.00 0.00 O ATOM 647 CB CYS A 46 13.026 -0.250 -4.635 1.00 0.00 C ATOM 648 SG CYS A 46 12.657 0.016 -6.408 1.00 0.00 S ATOM 0 H CYS A 46 13.459 -2.488 -6.011 1.00 0.00 H new ATOM 0 HA CYS A 46 12.935 -1.772 -3.181 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.454 0.451 -4.027 1.00 0.00 H new ATOM 0 HB3 CYS A 46 14.081 -0.054 -4.441 1.00 0.00 H new ATOM 0 HG CYS A 46 12.749 1.283 -6.685 1.00 0.00 H new ATOM 654 N TYR A 47 10.400 -1.528 -3.476 1.00 0.00 N ATOM 655 CA TYR A 47 8.963 -1.741 -3.528 1.00 0.00 C ATOM 656 C TYR A 47 8.235 -0.814 -2.554 1.00 0.00 C ATOM 657 O TYR A 47 8.741 -0.526 -1.470 1.00 0.00 O ATOM 658 CB TYR A 47 8.737 -3.192 -3.098 1.00 0.00 C ATOM 659 CG TYR A 47 9.102 -3.473 -1.639 1.00 0.00 C ATOM 660 CD1 TYR A 47 8.152 -3.322 -0.649 1.00 0.00 C ATOM 661 CD2 TYR A 47 10.381 -3.876 -1.313 1.00 0.00 C ATOM 662 CE1 TYR A 47 8.496 -3.586 0.724 1.00 0.00 C ATOM 663 CE2 TYR A 47 10.724 -4.140 0.061 1.00 0.00 C ATOM 664 CZ TYR A 47 9.765 -3.982 1.011 1.00 0.00 C ATOM 665 OH TYR A 47 10.089 -4.232 2.308 1.00 0.00 O ATOM 0 H TYR A 47 10.725 -1.007 -2.662 1.00 0.00 H new ATOM 0 HA TYR A 47 8.581 -1.536 -4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.689 -3.448 -3.255 1.00 0.00 H new ATOM 0 HB3 TYR A 47 9.325 -3.847 -3.741 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.151 -3.006 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 47 11.124 -3.993 -2.088 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.763 -3.472 1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.721 -4.456 0.330 1.00 0.00 H new ATOM 0 HH TYR A 47 11.028 -4.507 2.363 1.00 0.00 H new ATOM 675 N VAL A 48 7.059 -0.372 -2.974 1.00 0.00 N ATOM 676 CA VAL A 48 6.256 0.518 -2.152 1.00 0.00 C ATOM 677 C VAL A 48 5.299 -0.313 -1.295 1.00 0.00 C ATOM 678 O VAL A 48 4.985 -1.453 -1.635 1.00 0.00 O ATOM 679 CB VAL A 48 5.535 1.538 -3.035 1.00 0.00 C ATOM 680 CG1 VAL A 48 4.263 0.940 -3.638 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.224 2.816 -2.254 1.00 0.00 C ATOM 0 H VAL A 48 6.642 -0.614 -3.873 1.00 0.00 H new ATOM 0 HA VAL A 48 6.890 1.088 -1.473 1.00 0.00 H new ATOM 0 HB VAL A 48 6.202 1.801 -3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.770 1.686 -4.261 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.521 0.073 -4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.590 0.634 -2.837 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.711 3.524 -2.905 1.00 0.00 H new ATOM 0 HG22 VAL A 48 4.585 2.577 -1.404 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.153 3.259 -1.896 1.00 0.00 H new ATOM 691 N GLN A 49 4.861 0.290 -0.200 1.00 0.00 N ATOM 692 CA GLN A 49 3.946 -0.379 0.709 1.00 0.00 C ATOM 693 C GLN A 49 2.890 0.604 1.218 1.00 0.00 C ATOM 694 O GLN A 49 3.213 1.732 1.587 1.00 0.00 O ATOM 695 CB GLN A 49 4.702 -1.023 1.872 1.00 0.00 C ATOM 696 CG GLN A 49 3.738 -1.726 2.830 1.00 0.00 C ATOM 697 CD GLN A 49 4.301 -1.754 4.253 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.500 -1.708 4.474 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.372 -1.830 5.201 1.00 0.00 N ATOM 0 H GLN A 49 5.123 1.236 0.079 1.00 0.00 H new ATOM 0 HA GLN A 49 3.440 -1.175 0.163 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.426 -1.741 1.487 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.265 -0.261 2.411 1.00 0.00 H new ATOM 0 HG2 GLN A 49 2.777 -1.213 2.826 1.00 0.00 H new ATOM 0 HG3 GLN A 49 3.557 -2.745 2.487 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.385 -1.865 4.946 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.646 -1.853 6.183 1.00 0.00 H new ATOM 708 N GLY A 50 1.649 0.140 1.221 1.00 0.00 N ATOM 709 CA GLY A 50 0.543 0.964 1.679 1.00 0.00 C ATOM 710 C GLY A 50 -0.095 0.374 2.939 1.00 0.00 C ATOM 711 O GLY A 50 -0.629 -0.734 2.908 1.00 0.00 O ATOM 0 H GLY A 50 1.385 -0.796 0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.898 1.974 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.206 1.044 0.891 1.00 0.00 H new ATOM 715 N SER A 51 -0.020 1.142 4.016 1.00 0.00 N ATOM 716 CA SER A 51 -0.584 0.709 5.284 1.00 0.00 C ATOM 717 C SER A 51 -1.810 1.557 5.627 1.00 0.00 C ATOM 718 O SER A 51 -1.846 2.751 5.335 1.00 0.00 O ATOM 719 CB SER A 51 0.453 0.797 6.406 1.00 0.00 C ATOM 720 OG SER A 51 1.045 2.090 6.486 1.00 0.00 O ATOM 0 H SER A 51 0.422 2.061 4.037 1.00 0.00 H new ATOM 0 HA SER A 51 -0.887 -0.334 5.186 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.021 0.556 7.357 1.00 0.00 H new ATOM 0 HB3 SER A 51 1.231 0.052 6.240 1.00 0.00 H new ATOM 0 HG SER A 51 1.248 2.413 5.583 1.00 0.00 H new ATOM 726 N VAL A 52 -2.786 0.906 6.243 1.00 0.00 N ATOM 727 CA VAL A 52 -4.011 1.584 6.629 1.00 0.00 C ATOM 728 C VAL A 52 -4.285 1.329 8.112 1.00 0.00 C ATOM 729 O VAL A 52 -3.979 0.255 8.628 1.00 0.00 O ATOM 730 CB VAL A 52 -5.163 1.141 5.724 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.447 0.936 6.531 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.383 2.142 4.588 1.00 0.00 C ATOM 0 H VAL A 52 -2.753 -0.084 6.484 1.00 0.00 H new ATOM 0 HA VAL A 52 -3.908 2.661 6.498 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.891 0.184 5.279 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.250 0.622 5.864 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.283 0.169 7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -6.725 1.871 7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.207 1.804 3.960 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.623 3.120 5.006 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.476 2.217 3.988 1.00 0.00 H new ATOM 742 N ALA A 53 -4.858 2.335 8.757 1.00 0.00 N ATOM 743 CA ALA A 53 -5.176 2.232 10.171 1.00 0.00 C ATOM 744 C ALA A 53 -6.596 2.751 10.409 1.00 0.00 C ATOM 745 O ALA A 53 -6.848 3.951 10.304 1.00 0.00 O ATOM 746 CB ALA A 53 -4.131 2.998 10.987 1.00 0.00 C ATOM 0 H ALA A 53 -5.110 3.225 8.327 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.146 1.192 10.496 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.370 2.921 12.048 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.144 2.573 10.805 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.134 4.047 10.690 1.00 0.00 H new ATOM 752 N ASN A 54 -7.486 1.822 10.725 1.00 0.00 N ATOM 753 CA ASN A 54 -8.873 2.171 10.979 1.00 0.00 C ATOM 754 C ASN A 54 -9.167 2.022 12.473 1.00 0.00 C ATOM 755 O ASN A 54 -8.278 1.686 13.254 1.00 0.00 O ATOM 756 CB ASN A 54 -9.822 1.244 10.216 1.00 0.00 C ATOM 757 CG ASN A 54 -9.170 -0.115 9.956 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.647 -0.763 10.848 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.229 -0.509 8.687 1.00 0.00 N ATOM 0 H ASN A 54 -7.273 0.828 10.811 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.028 3.198 10.649 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.740 1.107 10.787 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.102 1.704 9.268 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.821 -1.402 8.411 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.682 0.082 7.990 1.00 0.00 H new ATOM 766 N ARG A 55 -10.418 2.280 12.826 1.00 0.00 N ATOM 767 CA ARG A 55 -10.840 2.179 14.213 1.00 0.00 C ATOM 768 C ARG A 55 -11.142 0.723 14.571 1.00 0.00 C ATOM 769 O ARG A 55 -11.625 0.436 15.665 1.00 0.00 O ATOM 770 CB ARG A 55 -12.085 3.030 14.472 1.00 0.00 C ATOM 771 CG ARG A 55 -11.827 4.055 15.578 1.00 0.00 C ATOM 772 CD ARG A 55 -13.047 4.956 15.785 1.00 0.00 C ATOM 773 NE ARG A 55 -13.001 5.568 17.132 1.00 0.00 N ATOM 774 CZ ARG A 55 -13.850 6.514 17.557 1.00 0.00 C ATOM 775 NH1 ARG A 55 -14.814 6.963 16.742 1.00 0.00 N ATOM 776 NH2 ARG A 55 -13.734 7.011 18.796 1.00 0.00 N ATOM 0 H ARG A 55 -11.153 2.559 12.176 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.025 2.548 14.836 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -12.376 3.544 13.556 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -12.918 2.386 14.755 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -11.589 3.539 16.508 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.960 4.664 15.320 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -13.068 5.735 15.023 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -13.962 4.375 15.672 1.00 0.00 H new ATOM 0 HE ARG A 55 -12.278 5.250 17.777 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -14.901 6.585 15.799 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -15.460 7.683 17.065 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -12.999 6.669 19.416 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -14.380 7.731 19.119 1.00 0.00 H new ATOM 790 N THR A 56 -10.844 -0.159 13.628 1.00 0.00 N ATOM 791 CA THR A 56 -11.078 -1.579 13.831 1.00 0.00 C ATOM 792 C THR A 56 -9.748 -2.322 13.981 1.00 0.00 C ATOM 793 O THR A 56 -9.652 -3.280 14.745 1.00 0.00 O ATOM 794 CB THR A 56 -11.931 -2.089 12.667 1.00 0.00 C ATOM 795 OG1 THR A 56 -11.344 -1.487 11.517 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.354 -1.528 12.696 1.00 0.00 C ATOM 0 H THR A 56 -10.443 0.082 12.722 1.00 0.00 H new ATOM 0 HA THR A 56 -11.623 -1.762 14.757 1.00 0.00 H new ATOM 0 HB THR A 56 -11.969 -3.178 12.694 1.00 0.00 H new ATOM 0 HG1 THR A 56 -12.012 -0.934 11.060 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.917 -1.921 11.849 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.842 -1.823 13.625 1.00 0.00 H new ATOM 0 HG23 THR A 56 -13.318 -0.440 12.634 1.00 0.00 H new ATOM 804 N GLY A 57 -8.757 -1.851 13.238 1.00 0.00 N ATOM 805 CA GLY A 57 -7.438 -2.459 13.279 1.00 0.00 C ATOM 806 C GLY A 57 -6.478 -1.749 12.323 1.00 0.00 C ATOM 807 O GLY A 57 -6.322 -0.530 12.385 1.00 0.00 O ATOM 0 H GLY A 57 -8.841 -1.056 12.605 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.045 -2.415 14.295 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.511 -3.513 13.011 1.00 0.00 H new ATOM 811 N SER A 58 -5.858 -2.541 11.460 1.00 0.00 N ATOM 812 CA SER A 58 -4.917 -2.004 10.492 1.00 0.00 C ATOM 813 C SER A 58 -4.585 -3.064 9.441 1.00 0.00 C ATOM 814 O SER A 58 -4.660 -4.261 9.715 1.00 0.00 O ATOM 815 CB SER A 58 -3.639 -1.518 11.178 1.00 0.00 C ATOM 816 OG SER A 58 -3.298 -2.322 12.304 1.00 0.00 O ATOM 0 H SER A 58 -5.989 -3.551 11.411 1.00 0.00 H new ATOM 0 HA SER A 58 -5.382 -1.149 10.001 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.817 -1.529 10.462 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.770 -0.484 11.497 1.00 0.00 H new ATOM 0 HG SER A 58 -2.476 -1.980 12.713 1.00 0.00 H new ATOM 822 N VAL A 59 -4.224 -2.587 8.259 1.00 0.00 N ATOM 823 CA VAL A 59 -3.880 -3.479 7.165 1.00 0.00 C ATOM 824 C VAL A 59 -2.544 -3.045 6.559 1.00 0.00 C ATOM 825 O VAL A 59 -1.889 -2.140 7.075 1.00 0.00 O ATOM 826 CB VAL A 59 -5.017 -3.515 6.141 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.186 -4.360 6.651 1.00 0.00 C ATOM 828 CG2 VAL A 59 -5.477 -2.101 5.783 1.00 0.00 C ATOM 0 H VAL A 59 -4.162 -1.594 8.035 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.756 -4.499 7.529 1.00 0.00 H new ATOM 0 HB VAL A 59 -4.636 -3.983 5.233 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -6.981 -4.370 5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.846 -5.380 6.832 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.565 -3.934 7.580 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.285 -2.155 5.054 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -5.832 -1.595 6.681 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -4.642 -1.543 5.359 1.00 0.00 H new ATOM 838 N GLU A 60 -2.179 -3.710 5.473 1.00 0.00 N ATOM 839 CA GLU A 60 -0.932 -3.404 4.791 1.00 0.00 C ATOM 840 C GLU A 60 -0.957 -3.960 3.366 1.00 0.00 C ATOM 841 O GLU A 60 -1.764 -4.831 3.049 1.00 0.00 O ATOM 842 CB GLU A 60 0.267 -3.947 5.571 1.00 0.00 C ATOM 843 CG GLU A 60 0.488 -3.153 6.860 1.00 0.00 C ATOM 844 CD GLU A 60 1.915 -3.337 7.379 1.00 0.00 C ATOM 845 OE1 GLU A 60 2.314 -4.510 7.539 1.00 0.00 O ATOM 846 OE2 GLU A 60 2.575 -2.299 7.605 1.00 0.00 O ATOM 0 H GLU A 60 -2.725 -4.460 5.048 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.827 -2.321 4.736 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.104 -4.998 5.810 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.162 -3.897 4.951 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.297 -2.096 6.677 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.224 -3.479 7.619 1.00 0.00 H new ATOM 853 N ALA A 61 -0.061 -3.432 2.544 1.00 0.00 N ATOM 854 CA ALA A 61 0.030 -3.864 1.160 1.00 0.00 C ATOM 855 C ALA A 61 1.282 -3.257 0.522 1.00 0.00 C ATOM 856 O ALA A 61 1.864 -2.318 1.062 1.00 0.00 O ATOM 857 CB ALA A 61 -1.250 -3.475 0.418 1.00 0.00 C ATOM 0 H ALA A 61 0.608 -2.709 2.810 1.00 0.00 H new ATOM 0 HA ALA A 61 0.123 -4.948 1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.181 -3.799 -0.620 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.106 -3.955 0.892 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.376 -2.393 0.453 1.00 0.00 H new ATOM 863 N GLN A 62 1.658 -3.818 -0.617 1.00 0.00 N ATOM 864 CA GLN A 62 2.829 -3.344 -1.334 1.00 0.00 C ATOM 865 C GLN A 62 2.808 -3.848 -2.779 1.00 0.00 C ATOM 866 O GLN A 62 1.946 -4.643 -3.150 1.00 0.00 O ATOM 867 CB GLN A 62 4.116 -3.770 -0.624 1.00 0.00 C ATOM 868 CG GLN A 62 4.056 -5.244 -0.218 1.00 0.00 C ATOM 869 CD GLN A 62 4.879 -6.110 -1.174 1.00 0.00 C ATOM 870 OE1 GLN A 62 6.033 -5.838 -1.462 1.00 0.00 O ATOM 871 NE2 GLN A 62 4.223 -7.166 -1.647 1.00 0.00 N ATOM 0 H GLN A 62 1.172 -4.597 -1.062 1.00 0.00 H new ATOM 0 HA GLN A 62 2.804 -2.254 -1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.970 -3.605 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.270 -3.151 0.260 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.432 -5.360 0.799 1.00 0.00 H new ATOM 0 HG3 GLN A 62 3.020 -5.582 -0.216 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.258 -7.335 -1.365 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.685 -7.807 -2.292 1.00 0.00 H new ATOM 880 N THR A 63 3.767 -3.364 -3.555 1.00 0.00 N ATOM 881 CA THR A 63 3.869 -3.755 -4.950 1.00 0.00 C ATOM 882 C THR A 63 4.875 -4.896 -5.112 1.00 0.00 C ATOM 883 O THR A 63 5.394 -5.416 -4.126 1.00 0.00 O ATOM 884 CB THR A 63 4.224 -2.511 -5.766 1.00 0.00 C ATOM 885 OG1 THR A 63 5.503 -2.124 -5.270 1.00 0.00 O ATOM 886 CG2 THR A 63 3.322 -1.319 -5.438 1.00 0.00 C ATOM 0 H THR A 63 4.480 -2.705 -3.244 1.00 0.00 H new ATOM 0 HA THR A 63 2.921 -4.144 -5.321 1.00 0.00 H new ATOM 0 HB THR A 63 4.150 -2.741 -6.829 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.138 -2.066 -6.014 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.616 -0.462 -6.044 1.00 0.00 H new ATOM 0 HG22 THR A 63 2.285 -1.577 -5.654 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.421 -1.067 -4.382 1.00 0.00 H new ATOM 894 N ALA A 64 5.122 -5.251 -6.365 1.00 0.00 N ATOM 895 CA ALA A 64 6.058 -6.320 -6.669 1.00 0.00 C ATOM 896 C ALA A 64 7.461 -5.733 -6.835 1.00 0.00 C ATOM 897 O ALA A 64 7.640 -4.733 -7.529 1.00 0.00 O ATOM 898 CB ALA A 64 5.588 -7.071 -7.917 1.00 0.00 C ATOM 0 H ALA A 64 4.690 -4.817 -7.181 1.00 0.00 H new ATOM 0 HA ALA A 64 6.097 -7.039 -5.851 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.290 -7.873 -8.145 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.600 -7.494 -7.736 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.539 -6.381 -8.760 1.00 0.00 H new ATOM 904 N LEU A 65 8.419 -6.379 -6.187 1.00 0.00 N ATOM 905 CA LEU A 65 9.800 -5.933 -6.255 1.00 0.00 C ATOM 906 C LEU A 65 10.122 -5.498 -7.686 1.00 0.00 C ATOM 907 O LEU A 65 9.583 -6.052 -8.643 1.00 0.00 O ATOM 908 CB LEU A 65 10.739 -7.013 -5.715 1.00 0.00 C ATOM 909 CG LEU A 65 10.814 -7.136 -4.191 1.00 0.00 C ATOM 910 CD1 LEU A 65 11.065 -5.774 -3.543 1.00 0.00 C ATOM 911 CD2 LEU A 65 9.560 -7.814 -3.634 1.00 0.00 C ATOM 0 H LEU A 65 8.266 -7.208 -5.612 1.00 0.00 H new ATOM 0 HA LEU A 65 9.951 -5.063 -5.616 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.427 -7.975 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.742 -6.817 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 65 11.663 -7.772 -3.941 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.114 -5.890 -2.460 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.008 -5.366 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 65 10.252 -5.094 -3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.638 -7.889 -2.549 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.681 -7.224 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 65 9.466 -8.812 -4.061 1.00 0.00 H new ATOM 923 N LYS A 66 10.998 -4.510 -7.788 1.00 0.00 N ATOM 924 CA LYS A 66 11.398 -3.995 -9.086 1.00 0.00 C ATOM 925 C LYS A 66 12.807 -3.407 -8.985 1.00 0.00 C ATOM 926 O LYS A 66 13.324 -3.209 -7.886 1.00 0.00 O ATOM 927 CB LYS A 66 10.356 -3.007 -9.614 1.00 0.00 C ATOM 928 CG LYS A 66 9.256 -3.733 -10.391 1.00 0.00 C ATOM 929 CD LYS A 66 9.107 -3.157 -11.800 1.00 0.00 C ATOM 930 CE LYS A 66 7.642 -2.848 -12.114 1.00 0.00 C ATOM 931 NZ LYS A 66 7.454 -2.651 -13.569 1.00 0.00 N ATOM 0 H LYS A 66 11.442 -4.052 -6.992 1.00 0.00 H new ATOM 0 HA LYS A 66 11.440 -4.801 -9.819 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.916 -2.458 -8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.839 -2.274 -10.260 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.490 -4.796 -10.452 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.310 -3.645 -9.857 1.00 0.00 H new ATOM 0 HD2 LYS A 66 9.701 -2.248 -11.890 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.497 -3.866 -12.530 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.009 -3.665 -11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.330 -1.953 -11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 7.087 -1.694 -13.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 8.366 -2.768 -14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 6.777 -3.353 -13.930 1.00 0.00 H new ATOM 945 N LYS A 67 13.389 -3.144 -10.146 1.00 0.00 N ATOM 946 CA LYS A 67 14.728 -2.583 -10.202 1.00 0.00 C ATOM 947 C LYS A 67 14.655 -1.074 -9.955 1.00 0.00 C ATOM 948 O LYS A 67 14.035 -0.345 -10.727 1.00 0.00 O ATOM 949 CB LYS A 67 15.412 -2.958 -11.518 1.00 0.00 C ATOM 950 CG LYS A 67 16.576 -2.012 -11.820 1.00 0.00 C ATOM 951 CD LYS A 67 17.834 -2.796 -12.200 1.00 0.00 C ATOM 952 CE LYS A 67 17.615 -3.595 -13.486 1.00 0.00 C ATOM 953 NZ LYS A 67 18.600 -4.696 -13.586 1.00 0.00 N ATOM 0 H LYS A 67 12.957 -3.309 -11.055 1.00 0.00 H new ATOM 0 HA LYS A 67 15.351 -3.006 -9.414 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.777 -3.984 -11.463 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.688 -2.921 -12.332 1.00 0.00 H new ATOM 0 HG2 LYS A 67 16.302 -1.340 -12.634 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.780 -1.390 -10.948 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.669 -2.108 -12.333 1.00 0.00 H new ATOM 0 HD3 LYS A 67 18.104 -3.472 -11.389 1.00 0.00 H new ATOM 0 HE2 LYS A 67 16.604 -4.001 -13.501 1.00 0.00 H new ATOM 0 HE3 LYS A 67 17.707 -2.937 -14.350 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 18.438 -5.228 -14.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 19.562 -4.301 -13.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 18.493 -5.333 -12.771 1.00 0.00 H new ATOM 967 N ARG A 68 15.297 -0.652 -8.876 1.00 0.00 N ATOM 968 CA ARG A 68 15.312 0.756 -8.518 1.00 0.00 C ATOM 969 C ARG A 68 15.680 1.609 -9.733 1.00 0.00 C ATOM 970 O ARG A 68 16.710 1.382 -10.367 1.00 0.00 O ATOM 971 CB ARG A 68 16.312 1.027 -7.392 1.00 0.00 C ATOM 972 CG ARG A 68 15.821 2.155 -6.482 1.00 0.00 C ATOM 973 CD ARG A 68 16.992 2.833 -5.768 1.00 0.00 C ATOM 974 NE ARG A 68 17.231 2.184 -4.460 1.00 0.00 N ATOM 975 CZ ARG A 68 17.968 1.077 -4.294 1.00 0.00 C ATOM 976 NH1 ARG A 68 18.541 0.489 -5.352 1.00 0.00 N ATOM 977 NH2 ARG A 68 18.130 0.558 -3.069 1.00 0.00 N ATOM 0 H ARG A 68 15.810 -1.260 -8.238 1.00 0.00 H new ATOM 0 HA ARG A 68 14.313 1.021 -8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.459 0.120 -6.806 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.280 1.293 -7.817 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.275 2.891 -7.072 1.00 0.00 H new ATOM 0 HG3 ARG A 68 15.124 1.756 -5.746 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.889 2.771 -6.384 1.00 0.00 H new ATOM 0 HD3 ARG A 68 16.777 3.892 -5.624 1.00 0.00 H new ATOM 0 HE ARG A 68 16.808 2.605 -3.633 1.00 0.00 H new ATOM 0 HH11 ARG A 68 18.417 0.884 -6.284 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.102 -0.353 -5.226 1.00 0.00 H new ATOM 0 HH21 ARG A 68 17.692 1.005 -2.264 1.00 0.00 H new ATOM 0 HH22 ARG A 68 18.691 -0.285 -2.942 1.00 0.00 H new ATOM 991 N GLN A 69 14.819 2.573 -10.022 1.00 0.00 N ATOM 992 CA GLN A 69 15.040 3.461 -11.151 1.00 0.00 C ATOM 993 C GLN A 69 14.718 4.905 -10.762 1.00 0.00 C ATOM 994 O GLN A 69 14.246 5.163 -9.655 1.00 0.00 O ATOM 995 CB GLN A 69 14.217 3.023 -12.364 1.00 0.00 C ATOM 996 CG GLN A 69 14.756 1.717 -12.950 1.00 0.00 C ATOM 997 CD GLN A 69 15.991 1.974 -13.817 1.00 0.00 C ATOM 998 OE1 GLN A 69 16.412 3.100 -14.025 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.546 0.870 -14.309 1.00 0.00 N ATOM 0 H GLN A 69 13.966 2.759 -9.494 1.00 0.00 H new ATOM 0 HA GLN A 69 16.092 3.407 -11.429 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.175 2.892 -12.073 1.00 0.00 H new ATOM 0 HB3 GLN A 69 14.240 3.804 -13.124 1.00 0.00 H new ATOM 0 HG2 GLN A 69 15.010 1.030 -12.143 1.00 0.00 H new ATOM 0 HG3 GLN A 69 13.982 1.235 -13.547 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.143 -0.042 -14.096 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.375 0.936 -14.900 1.00 0.00 H new ATOM 1008 N LEU A 70 14.984 5.809 -11.693 1.00 0.00 N ATOM 1009 CA LEU A 70 14.727 7.221 -11.461 1.00 0.00 C ATOM 1010 C LEU A 70 13.217 7.460 -11.420 1.00 0.00 C ATOM 1011 O LEU A 70 12.767 8.557 -11.091 1.00 0.00 O ATOM 1012 CB LEU A 70 15.458 8.075 -12.498 1.00 0.00 C ATOM 1013 CG LEU A 70 16.947 8.315 -12.242 1.00 0.00 C ATOM 1014 CD1 LEU A 70 17.153 9.347 -11.132 1.00 0.00 C ATOM 1015 CD2 LEU A 70 17.670 7.000 -11.943 1.00 0.00 C ATOM 0 H LEU A 70 15.375 5.592 -12.610 1.00 0.00 H new ATOM 0 HA LEU A 70 15.124 7.527 -10.493 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.350 7.599 -13.473 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.960 9.043 -12.559 1.00 0.00 H new ATOM 0 HG LEU A 70 17.388 8.726 -13.150 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.220 9.499 -10.970 1.00 0.00 H new ATOM 0 HD12 LEU A 70 16.692 10.291 -11.423 1.00 0.00 H new ATOM 0 HD13 LEU A 70 16.694 8.987 -10.211 1.00 0.00 H new ATOM 0 HD21 LEU A 70 18.727 7.198 -11.765 1.00 0.00 H new ATOM 0 HD22 LEU A 70 17.233 6.538 -11.058 1.00 0.00 H new ATOM 0 HD23 LEU A 70 17.566 6.326 -12.793 1.00 0.00 H new ATOM 1027 N HIS A 71 12.475 6.416 -11.760 1.00 0.00 N ATOM 1028 CA HIS A 71 11.024 6.499 -11.766 1.00 0.00 C ATOM 1029 C HIS A 71 10.433 5.122 -12.071 1.00 0.00 C ATOM 1030 O HIS A 71 10.106 4.823 -13.219 1.00 0.00 O ATOM 1031 CB HIS A 71 10.546 7.579 -12.740 1.00 0.00 C ATOM 1032 CG HIS A 71 9.066 7.528 -13.034 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.525 7.957 -14.233 1.00 0.00 N ATOM 1034 CD2 HIS A 71 8.020 7.095 -12.273 1.00 0.00 C ATOM 1035 CE1 HIS A 71 7.212 7.786 -14.185 1.00 0.00 C ATOM 1036 NE2 HIS A 71 6.901 7.252 -12.969 1.00 0.00 N ATOM 0 H HIS A 71 12.851 5.508 -12.033 1.00 0.00 H new ATOM 0 HA HIS A 71 10.669 6.798 -10.780 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.791 8.559 -12.329 1.00 0.00 H new ATOM 0 HB3 HIS A 71 11.096 7.479 -13.676 1.00 0.00 H new ATOM 0 HD1 HIS A 71 9.048 8.340 -15.020 1.00 0.00 H new ATOM 0 HD2 HIS A 71 8.091 6.693 -11.273 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.511 8.027 -14.971 1.00 0.00 H new ATOM 1044 N THR A 72 10.313 4.320 -11.024 1.00 0.00 N ATOM 1045 CA THR A 72 9.766 2.981 -11.165 1.00 0.00 C ATOM 1046 C THR A 72 8.246 3.040 -11.323 1.00 0.00 C ATOM 1047 O THR A 72 7.609 3.999 -10.890 1.00 0.00 O ATOM 1048 CB THR A 72 10.220 2.155 -9.959 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.640 2.122 -10.076 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.803 0.687 -10.065 1.00 0.00 C ATOM 0 H THR A 72 10.585 4.571 -10.074 1.00 0.00 H new ATOM 0 HA THR A 72 10.137 2.496 -12.068 1.00 0.00 H new ATOM 0 HB THR A 72 9.805 2.585 -9.047 1.00 0.00 H new ATOM 0 HG1 THR A 72 12.018 1.607 -9.332 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.150 0.146 -9.185 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.717 0.621 -10.127 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.245 0.247 -10.959 1.00 0.00 H new ATOM 1058 N THR A 73 7.707 2.001 -11.946 1.00 0.00 N ATOM 1059 CA THR A 73 6.273 1.923 -12.167 1.00 0.00 C ATOM 1060 C THR A 73 5.815 0.463 -12.179 1.00 0.00 C ATOM 1061 O THR A 73 6.416 -0.374 -12.850 1.00 0.00 O ATOM 1062 CB THR A 73 5.953 2.671 -13.462 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.928 2.198 -14.387 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.236 4.171 -13.357 1.00 0.00 C ATOM 0 H THR A 73 8.238 1.207 -12.304 1.00 0.00 H new ATOM 0 HA THR A 73 5.721 2.398 -11.356 1.00 0.00 H new ATOM 0 HB THR A 73 4.905 2.516 -13.721 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.792 2.631 -15.255 1.00 0.00 H new ATOM 0 HG21 THR A 73 5.992 4.654 -14.303 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.627 4.601 -12.562 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.291 4.327 -13.131 1.00 0.00 H new ATOM 1072 N TRP A 74 4.753 0.203 -11.430 1.00 0.00 N ATOM 1073 CA TRP A 74 4.207 -1.141 -11.346 1.00 0.00 C ATOM 1074 C TRP A 74 2.964 -1.202 -12.236 1.00 0.00 C ATOM 1075 O TRP A 74 2.561 -0.195 -12.815 1.00 0.00 O ATOM 1076 CB TRP A 74 3.923 -1.528 -9.894 1.00 0.00 C ATOM 1077 CG TRP A 74 5.171 -1.585 -9.010 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.891 -2.662 -8.668 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.819 -0.469 -8.365 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.952 -2.324 -7.853 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.907 -0.947 -7.663 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.498 0.899 -8.373 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.761 -0.125 -6.918 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.361 1.708 -7.624 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.460 1.242 -6.913 1.00 0.00 C ATOM 0 H TRP A 74 4.256 0.901 -10.876 1.00 0.00 H new ATOM 0 HA TRP A 74 4.929 -1.874 -11.706 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.221 -0.811 -9.468 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.434 -2.502 -9.877 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.669 -3.669 -8.990 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.642 -2.966 -7.462 1.00 0.00 H new ATOM 0 HE3 TRP A 74 4.652 1.295 -8.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.606 -0.524 -6.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.158 2.768 -7.597 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.079 1.932 -6.359 1.00 0.00 H new ATOM 1096 N GLU A 75 2.390 -2.394 -12.315 1.00 0.00 N ATOM 1097 CA GLU A 75 1.201 -2.599 -13.124 1.00 0.00 C ATOM 1098 C GLU A 75 0.028 -3.034 -12.242 1.00 0.00 C ATOM 1099 O GLU A 75 -0.963 -3.565 -12.740 1.00 0.00 O ATOM 1100 CB GLU A 75 1.461 -3.621 -14.233 1.00 0.00 C ATOM 1101 CG GLU A 75 1.925 -2.929 -15.517 1.00 0.00 C ATOM 1102 CD GLU A 75 2.628 -3.918 -16.448 1.00 0.00 C ATOM 1103 OE1 GLU A 75 2.106 -5.047 -16.577 1.00 0.00 O ATOM 1104 OE2 GLU A 75 3.672 -3.524 -17.011 1.00 0.00 O ATOM 0 H GLU A 75 2.726 -3.227 -11.832 1.00 0.00 H new ATOM 0 HA GLU A 75 0.942 -1.653 -13.600 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.218 -4.334 -13.906 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.552 -4.189 -14.430 1.00 0.00 H new ATOM 0 HG2 GLU A 75 1.068 -2.489 -16.028 1.00 0.00 H new ATOM 0 HG3 GLU A 75 2.603 -2.112 -15.270 1.00 0.00 H new ATOM 1111 N GLU A 76 0.181 -2.793 -10.948 1.00 0.00 N ATOM 1112 CA GLU A 76 -0.853 -3.154 -9.993 1.00 0.00 C ATOM 1113 C GLU A 76 -1.070 -2.017 -8.992 1.00 0.00 C ATOM 1114 O GLU A 76 -0.451 -0.960 -9.104 1.00 0.00 O ATOM 1115 CB GLU A 76 -0.504 -4.458 -9.274 1.00 0.00 C ATOM 1116 CG GLU A 76 0.929 -4.423 -8.737 1.00 0.00 C ATOM 1117 CD GLU A 76 1.326 -5.777 -8.146 1.00 0.00 C ATOM 1118 OE1 GLU A 76 0.542 -6.286 -7.316 1.00 0.00 O ATOM 1119 OE2 GLU A 76 2.405 -6.272 -8.537 1.00 0.00 O ATOM 0 H GLU A 76 1.005 -2.352 -10.539 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.783 -3.316 -10.537 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.200 -4.621 -8.451 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.619 -5.297 -9.960 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.616 -4.157 -9.541 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.017 -3.649 -7.974 1.00 0.00 H new ATOM 1126 N GLY A 77 -1.951 -2.273 -8.036 1.00 0.00 N ATOM 1127 CA GLY A 77 -2.257 -1.285 -7.016 1.00 0.00 C ATOM 1128 C GLY A 77 -2.306 -1.927 -5.628 1.00 0.00 C ATOM 1129 O GLY A 77 -2.167 -3.142 -5.497 1.00 0.00 O ATOM 0 H GLY A 77 -2.463 -3.151 -7.946 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.504 -0.497 -7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.215 -0.814 -7.237 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.505 -1.081 -4.627 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.574 -1.550 -3.254 1.00 0.00 C ATOM 1135 C LEU A 78 -4.016 -1.444 -2.755 1.00 0.00 C ATOM 1136 O LEU A 78 -4.542 -0.344 -2.594 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.565 -0.802 -2.380 1.00 0.00 C ATOM 1138 CG LEU A 78 -0.201 -0.526 -3.017 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.654 0.367 -2.117 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.512 -1.832 -3.373 1.00 0.00 C ATOM 0 H LEU A 78 -2.621 -0.074 -4.740 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.293 -2.601 -3.197 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -2.005 0.150 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.408 -1.377 -1.467 1.00 0.00 H new ATOM 0 HG LEU A 78 -0.363 0.017 -3.948 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.618 0.547 -2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.144 1.317 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.810 -0.126 -1.158 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.479 -1.608 -3.824 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.662 -2.423 -2.469 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -0.096 -2.397 -4.080 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.616 -2.603 -2.525 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.987 -2.655 -2.048 1.00 0.00 C ATOM 1154 C VAL A 79 -5.998 -3.112 -0.588 1.00 0.00 C ATOM 1155 O VAL A 79 -5.448 -4.161 -0.258 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.826 -3.552 -2.962 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -5.931 -4.436 -3.833 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -7.808 -4.397 -2.148 1.00 0.00 C ATOM 0 H VAL A 79 -4.177 -3.514 -2.660 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.441 -1.664 -2.082 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.406 -2.909 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.551 -5.063 -4.473 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -5.291 -3.808 -4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.312 -5.068 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.392 -5.025 -2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.255 -5.027 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.478 -3.741 -1.591 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.631 -2.301 0.247 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.720 -2.608 1.665 1.00 0.00 C ATOM 1170 C LEU A 80 -8.183 -2.537 2.106 1.00 0.00 C ATOM 1171 O LEU A 80 -8.957 -1.739 1.577 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.790 -1.700 2.470 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.372 -1.534 1.919 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -3.971 -0.058 1.871 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.372 -2.374 2.717 1.00 0.00 C ATOM 0 H LEU A 80 -7.087 -1.432 -0.031 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.377 -3.625 1.857 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.249 -0.714 2.540 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.721 -2.092 3.485 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.359 -1.904 0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.959 0.031 1.476 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.662 0.486 1.227 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.006 0.361 2.876 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.372 -2.238 2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.381 -2.057 3.760 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.650 -3.426 2.655 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.528 -3.403 3.096 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.885 -3.445 3.615 1.00 0.00 C ATOM 1189 C PRO A 81 -10.163 -2.243 4.521 1.00 0.00 C ATOM 1190 O PRO A 81 -9.412 -1.982 5.459 1.00 0.00 O ATOM 1191 CB PRO A 81 -9.986 -4.775 4.344 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.556 -5.217 4.605 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.639 -4.361 3.746 1.00 0.00 C ATOM 0 HA PRO A 81 -10.638 -3.378 2.830 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.538 -4.668 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.518 -5.511 3.742 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.308 -5.102 5.660 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.432 -6.272 4.361 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.887 -3.855 4.352 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.104 -4.966 3.013 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.245 -1.545 4.209 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.632 -0.378 4.983 1.00 0.00 C ATOM 1203 C LEU A 82 -13.127 -0.117 4.792 1.00 0.00 C ATOM 1204 O LEU A 82 -13.614 -0.076 3.663 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.748 0.819 4.626 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.139 2.154 5.261 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -12.126 2.915 4.373 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -11.682 1.950 6.677 1.00 0.00 C ATOM 0 H LEU A 82 -11.866 -1.765 3.430 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.473 -0.557 6.046 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.723 0.588 4.916 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.753 0.939 3.543 1.00 0.00 H new ATOM 0 HG LEU A 82 -10.242 2.768 5.346 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -12.388 3.861 4.848 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.667 3.110 3.404 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -13.027 2.317 4.234 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.952 2.915 7.106 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -12.563 1.310 6.640 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -10.918 1.480 7.296 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.814 0.052 5.912 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.244 0.307 5.882 1.00 0.00 C ATOM 1222 C ALA A 83 -15.486 1.796 5.624 1.00 0.00 C ATOM 1223 O ALA A 83 -14.674 2.636 6.008 1.00 0.00 O ATOM 1224 CB ALA A 83 -15.875 -0.168 7.192 1.00 0.00 C ATOM 0 H ALA A 83 -13.407 0.017 6.846 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.717 -0.249 5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -16.948 0.023 7.169 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.700 -1.237 7.314 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.428 0.371 8.028 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.607 2.077 4.976 1.00 0.00 N ATOM 1231 CA GLU A 84 -16.966 3.449 4.662 1.00 0.00 C ATOM 1232 C GLU A 84 -17.247 4.231 5.947 1.00 0.00 C ATOM 1233 O GLU A 84 -17.151 5.458 5.965 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.168 3.499 3.717 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.239 4.844 2.990 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.686 5.327 2.871 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.479 4.593 2.242 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -19.966 6.419 3.410 1.00 0.00 O ATOM 0 H GLU A 84 -17.279 1.377 4.660 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.124 3.916 4.151 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -18.096 2.691 2.989 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.086 3.338 4.282 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.648 5.584 3.529 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.801 4.748 1.997 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.587 3.490 6.991 1.00 0.00 N ATOM 1246 CA GLU A 85 -17.882 4.098 8.277 1.00 0.00 C ATOM 1247 C GLU A 85 -16.585 4.415 9.024 1.00 0.00 C ATOM 1248 O GLU A 85 -16.614 5.007 10.102 1.00 0.00 O ATOM 1249 CB GLU A 85 -18.791 3.197 9.115 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.071 1.906 9.508 1.00 0.00 C ATOM 1251 CD GLU A 85 -18.672 1.310 10.783 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -18.337 1.835 11.867 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -19.453 0.344 10.645 1.00 0.00 O ATOM 0 H GLU A 85 -17.665 2.473 6.972 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.415 5.032 8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.108 3.728 10.012 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.692 2.958 8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -18.143 1.183 8.695 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.011 2.109 9.661 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.478 4.006 8.422 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.172 4.239 9.017 1.00 0.00 C ATOM 1262 C GLU A 86 -13.339 5.161 8.125 1.00 0.00 C ATOM 1263 O GLU A 86 -12.265 5.610 8.522 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.443 2.918 9.273 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.271 2.001 10.175 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.409 1.405 11.290 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.770 0.366 11.019 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -13.409 2.003 12.388 1.00 0.00 O ATOM 0 H GLU A 86 -15.458 3.515 7.528 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.315 4.730 9.980 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.244 2.418 8.325 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.477 3.116 9.738 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.097 2.563 10.610 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.709 1.199 9.581 1.00 0.00 H new ATOM 1275 N LEU A 87 -13.867 5.418 6.937 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.185 6.279 5.986 1.00 0.00 C ATOM 1277 C LEU A 87 -12.603 7.486 6.724 1.00 0.00 C ATOM 1278 O LEU A 87 -11.424 7.801 6.573 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.122 6.654 4.836 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.152 5.685 3.652 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.336 5.982 2.730 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.821 5.699 2.898 1.00 0.00 C ATOM 0 H LEU A 87 -14.759 5.045 6.612 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.349 5.752 5.526 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.133 6.744 5.232 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.836 7.639 4.467 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.292 4.676 4.040 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.334 5.279 1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.267 5.880 3.288 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.253 6.999 2.347 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.869 5.002 2.062 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.626 6.703 2.522 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -12.018 5.402 3.572 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.480 8.147 7.526 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.065 9.313 8.288 1.00 0.00 C ATOM 1296 C PRO A 88 -12.215 8.906 9.493 1.00 0.00 C ATOM 1297 O PRO A 88 -11.429 9.706 10.001 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.359 10.006 8.681 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.455 8.964 8.528 1.00 0.00 C ATOM 1300 CD PRO A 88 -14.884 7.802 7.730 1.00 0.00 C ATOM 0 HA PRO A 88 -12.427 9.985 7.715 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.310 10.373 9.706 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.549 10.869 8.043 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.798 8.624 9.505 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.319 9.390 8.017 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -14.986 6.862 8.272 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.404 7.681 6.780 1.00 0.00 H new ATOM 1308 N THR A 89 -12.400 7.665 9.916 1.00 0.00 N ATOM 1309 CA THR A 89 -11.660 7.143 11.052 1.00 0.00 C ATOM 1310 C THR A 89 -10.557 6.193 10.579 1.00 0.00 C ATOM 1311 O THR A 89 -10.168 5.278 11.303 1.00 0.00 O ATOM 1312 CB THR A 89 -12.659 6.486 12.006 1.00 0.00 C ATOM 1313 OG1 THR A 89 -12.847 5.180 11.467 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.047 7.124 11.931 1.00 0.00 C ATOM 0 H THR A 89 -13.052 7.005 9.492 1.00 0.00 H new ATOM 0 HA THR A 89 -11.150 7.941 11.592 1.00 0.00 H new ATOM 0 HB THR A 89 -12.284 6.554 13.027 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.613 4.753 11.904 1.00 0.00 H new ATOM 0 HG21 THR A 89 -14.717 6.620 12.628 1.00 0.00 H new ATOM 0 HG22 THR A 89 -13.977 8.180 12.194 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.438 7.027 10.918 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.084 6.444 9.367 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.034 5.623 8.789 1.00 0.00 C ATOM 1324 C ALA A 90 -8.090 6.509 7.973 1.00 0.00 C ATOM 1325 O ALA A 90 -8.503 7.541 7.445 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.661 4.510 7.947 1.00 0.00 C ATOM 0 H ALA A 90 -10.409 7.204 8.770 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.445 5.147 9.573 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.873 3.894 7.513 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.299 3.892 8.578 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.258 4.950 7.149 1.00 0.00 H new ATOM 1332 N THR A 91 -6.841 6.075 7.897 1.00 0.00 N ATOM 1333 CA THR A 91 -5.835 6.816 7.154 1.00 0.00 C ATOM 1334 C THR A 91 -4.859 5.855 6.473 1.00 0.00 C ATOM 1335 O THR A 91 -4.520 4.812 7.028 1.00 0.00 O ATOM 1336 CB THR A 91 -5.156 7.788 8.121 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.228 8.310 8.901 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.581 9.016 7.410 1.00 0.00 C ATOM 0 H THR A 91 -6.502 5.220 8.337 1.00 0.00 H new ATOM 0 HA THR A 91 -6.285 7.396 6.348 1.00 0.00 H new ATOM 0 HB THR A 91 -4.359 7.270 8.654 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.876 8.949 9.556 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.111 9.673 8.142 1.00 0.00 H new ATOM 0 HG22 THR A 91 -3.839 8.698 6.678 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.384 9.552 6.904 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.435 6.242 5.279 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.505 5.428 4.515 1.00 0.00 C ATOM 1348 C LEU A 92 -2.093 5.995 4.668 1.00 0.00 C ATOM 1349 O LEU A 92 -1.883 7.197 4.513 1.00 0.00 O ATOM 1350 CB LEU A 92 -3.966 5.308 3.061 1.00 0.00 C ATOM 1351 CG LEU A 92 -2.920 4.802 2.065 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -1.851 5.865 1.806 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -2.311 3.479 2.535 1.00 0.00 C ATOM 0 H LEU A 92 -4.718 7.109 4.822 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.483 4.409 4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.825 4.638 3.027 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.312 6.287 2.728 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.418 4.608 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.120 5.480 1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.319 6.760 1.396 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -1.351 6.114 2.742 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -1.571 3.141 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.831 3.623 3.503 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.097 2.729 2.628 1.00 0.00 H new ATOM 1365 N THR A 93 -1.160 5.103 4.970 1.00 0.00 N ATOM 1366 CA THR A 93 0.226 5.501 5.146 1.00 0.00 C ATOM 1367 C THR A 93 1.117 4.792 4.124 1.00 0.00 C ATOM 1368 O THR A 93 1.493 3.637 4.317 1.00 0.00 O ATOM 1369 CB THR A 93 0.620 5.215 6.597 1.00 0.00 C ATOM 1370 OG1 THR A 93 -0.088 6.197 7.349 1.00 0.00 O ATOM 1371 CG2 THR A 93 2.092 5.522 6.875 1.00 0.00 C ATOM 0 H THR A 93 -1.337 4.107 5.097 1.00 0.00 H new ATOM 0 HA THR A 93 0.358 6.567 4.963 1.00 0.00 H new ATOM 0 HB THR A 93 0.418 4.169 6.829 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.109 6.083 8.302 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.319 5.302 7.918 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.720 4.908 6.230 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.288 6.576 6.676 1.00 0.00 H new ATOM 1379 N LEU A 94 1.430 5.515 3.058 1.00 0.00 N ATOM 1380 CA LEU A 94 2.270 4.970 2.005 1.00 0.00 C ATOM 1381 C LEU A 94 3.726 4.958 2.475 1.00 0.00 C ATOM 1382 O LEU A 94 4.267 5.993 2.861 1.00 0.00 O ATOM 1383 CB LEU A 94 2.053 5.734 0.698 1.00 0.00 C ATOM 1384 CG LEU A 94 1.329 4.970 -0.413 1.00 0.00 C ATOM 1385 CD1 LEU A 94 0.184 4.130 0.156 1.00 0.00 C ATOM 1386 CD2 LEU A 94 0.850 5.922 -1.511 1.00 0.00 C ATOM 0 H LEU A 94 1.117 6.473 2.901 1.00 0.00 H new ATOM 0 HA LEU A 94 1.994 3.937 1.794 1.00 0.00 H new ATOM 0 HB2 LEU A 94 1.486 6.638 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.025 6.051 0.320 1.00 0.00 H new ATOM 0 HG LEU A 94 2.038 4.280 -0.871 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.314 3.597 -0.654 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.581 3.411 0.873 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.532 4.782 0.656 1.00 0.00 H new ATOM 0 HD21 LEU A 94 0.339 5.354 -2.288 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.163 6.653 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.707 6.439 -1.944 1.00 0.00 H new ATOM 1398 N THR A 95 4.320 3.774 2.428 1.00 0.00 N ATOM 1399 CA THR A 95 5.703 3.613 2.844 1.00 0.00 C ATOM 1400 C THR A 95 6.512 2.917 1.748 1.00 0.00 C ATOM 1401 O THR A 95 6.210 1.786 1.372 1.00 0.00 O ATOM 1402 CB THR A 95 5.711 2.860 4.176 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.331 2.646 4.462 1.00 0.00 O ATOM 1404 CG2 THR A 95 6.201 3.729 5.337 1.00 0.00 C ATOM 0 H THR A 95 3.868 2.917 2.108 1.00 0.00 H new ATOM 0 HA THR A 95 6.185 4.579 2.997 1.00 0.00 H new ATOM 0 HB THR A 95 6.345 1.977 4.090 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.244 2.162 5.309 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.187 3.147 6.258 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.218 4.065 5.136 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.547 4.594 5.445 1.00 0.00 H new ATOM 1412 N LEU A 96 7.525 3.622 1.267 1.00 0.00 N ATOM 1413 CA LEU A 96 8.380 3.087 0.222 1.00 0.00 C ATOM 1414 C LEU A 96 9.574 2.375 0.861 1.00 0.00 C ATOM 1415 O LEU A 96 10.551 3.016 1.245 1.00 0.00 O ATOM 1416 CB LEU A 96 8.776 4.188 -0.764 1.00 0.00 C ATOM 1417 CG LEU A 96 9.385 3.718 -2.086 1.00 0.00 C ATOM 1418 CD1 LEU A 96 8.826 2.352 -2.492 1.00 0.00 C ATOM 1419 CD2 LEU A 96 9.188 4.766 -3.184 1.00 0.00 C ATOM 0 H LEU A 96 7.773 4.560 1.582 1.00 0.00 H new ATOM 0 HA LEU A 96 7.842 2.344 -0.366 1.00 0.00 H new ATOM 0 HB2 LEU A 96 7.891 4.784 -0.986 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.490 4.849 -0.272 1.00 0.00 H new ATOM 0 HG LEU A 96 10.459 3.598 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.275 2.041 -3.435 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.059 1.619 -1.720 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.745 2.422 -2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 96 9.630 4.407 -4.113 1.00 0.00 H new ATOM 0 HD22 LEU A 96 8.123 4.941 -3.333 1.00 0.00 H new ATOM 0 HD23 LEU A 96 9.671 5.698 -2.889 1.00 0.00 H new ATOM 1431 N ARG A 97 9.457 1.058 0.954 1.00 0.00 N ATOM 1432 CA ARG A 97 10.515 0.252 1.540 1.00 0.00 C ATOM 1433 C ARG A 97 11.372 -0.378 0.441 1.00 0.00 C ATOM 1434 O ARG A 97 11.006 -0.344 -0.733 1.00 0.00 O ATOM 1435 CB ARG A 97 9.938 -0.854 2.425 1.00 0.00 C ATOM 1436 CG ARG A 97 9.390 -0.280 3.733 1.00 0.00 C ATOM 1437 CD ARG A 97 7.873 -0.458 3.817 1.00 0.00 C ATOM 1438 NE ARG A 97 7.413 -0.233 5.206 1.00 0.00 N ATOM 1439 CZ ARG A 97 7.667 -1.065 6.225 1.00 0.00 C ATOM 1440 NH1 ARG A 97 8.377 -2.181 6.018 1.00 0.00 N ATOM 1441 NH2 ARG A 97 7.209 -0.780 7.452 1.00 0.00 N ATOM 0 H ARG A 97 8.646 0.529 0.633 1.00 0.00 H new ATOM 0 HA ARG A 97 11.131 0.909 2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 97 9.143 -1.374 1.891 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.711 -1.591 2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 97 9.865 -0.776 4.579 1.00 0.00 H new ATOM 0 HG3 ARG A 97 9.640 0.779 3.803 1.00 0.00 H new ATOM 0 HD2 ARG A 97 7.379 0.242 3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.598 -1.461 3.492 1.00 0.00 H new ATOM 0 HE ARG A 97 6.869 0.608 5.399 1.00 0.00 H new ATOM 0 HH11 ARG A 97 8.725 -2.398 5.084 1.00 0.00 H new ATOM 0 HH12 ARG A 97 8.570 -2.814 6.794 1.00 0.00 H new ATOM 0 HH21 ARG A 97 6.667 0.070 7.610 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.402 -1.413 8.228 1.00 0.00 H new ATOM 1455 N THR A 98 12.497 -0.939 0.860 1.00 0.00 N ATOM 1456 CA THR A 98 13.409 -1.576 -0.074 1.00 0.00 C ATOM 1457 C THR A 98 13.646 -3.035 0.323 1.00 0.00 C ATOM 1458 O THR A 98 13.614 -3.373 1.505 1.00 0.00 O ATOM 1459 CB THR A 98 14.692 -0.744 -0.124 1.00 0.00 C ATOM 1460 OG1 THR A 98 14.920 -0.374 1.233 1.00 0.00 O ATOM 1461 CG2 THR A 98 14.496 0.591 -0.846 1.00 0.00 C ATOM 0 H THR A 98 12.797 -0.965 1.834 1.00 0.00 H new ATOM 0 HA THR A 98 12.987 -1.610 -1.078 1.00 0.00 H new ATOM 0 HB THR A 98 15.475 -1.315 -0.622 1.00 0.00 H new ATOM 0 HG1 THR A 98 15.735 0.167 1.292 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.436 1.142 -0.853 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.175 0.406 -1.871 1.00 0.00 H new ATOM 0 HG23 THR A 98 13.736 1.177 -0.328 1.00 0.00 H new ATOM 1469 N CYS A 99 13.879 -3.859 -0.688 1.00 0.00 N ATOM 1470 CA CYS A 99 14.121 -5.273 -0.460 1.00 0.00 C ATOM 1471 C CYS A 99 15.048 -5.413 0.749 1.00 0.00 C ATOM 1472 O CYS A 99 15.977 -4.624 0.918 1.00 0.00 O ATOM 1473 CB CYS A 99 14.697 -5.957 -1.702 1.00 0.00 C ATOM 1474 SG CYS A 99 15.317 -7.623 -1.269 1.00 0.00 S ATOM 0 H CYS A 99 13.905 -3.574 -1.667 1.00 0.00 H new ATOM 0 HA CYS A 99 13.177 -5.777 -0.254 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.930 -6.034 -2.473 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.506 -5.355 -2.116 1.00 0.00 H new ATOM 0 HG CYS A 99 16.170 -7.528 -0.292 1.00 0.00 H new ATOM 1480 N ASP A 100 14.764 -6.422 1.560 1.00 0.00 N ATOM 1481 CA ASP A 100 15.561 -6.674 2.748 1.00 0.00 C ATOM 1482 C ASP A 100 17.030 -6.830 2.349 1.00 0.00 C ATOM 1483 O ASP A 100 17.342 -7.504 1.368 1.00 0.00 O ATOM 1484 CB ASP A 100 15.120 -7.965 3.442 1.00 0.00 C ATOM 1485 CG ASP A 100 15.505 -9.254 2.714 1.00 0.00 C ATOM 1486 OD1 ASP A 100 15.568 -9.204 1.467 1.00 0.00 O ATOM 1487 OD2 ASP A 100 15.726 -10.261 3.422 1.00 0.00 O ATOM 0 H ASP A 100 13.993 -7.074 1.417 1.00 0.00 H new ATOM 0 HA ASP A 100 15.427 -5.833 3.429 1.00 0.00 H new ATOM 0 HB2 ASP A 100 15.552 -7.988 4.443 1.00 0.00 H new ATOM 0 HB3 ASP A 100 14.037 -7.943 3.563 1.00 0.00 H new ATOM 1492 N ARG A 101 17.892 -6.195 3.128 1.00 0.00 N ATOM 1493 CA ARG A 101 19.321 -6.255 2.868 1.00 0.00 C ATOM 1494 C ARG A 101 20.088 -6.488 4.171 1.00 0.00 C ATOM 1495 O ARG A 101 20.839 -7.455 4.289 1.00 0.00 O ATOM 1496 CB ARG A 101 19.816 -4.962 2.216 1.00 0.00 C ATOM 1497 CG ARG A 101 21.244 -5.125 1.692 1.00 0.00 C ATOM 1498 CD ARG A 101 21.854 -3.769 1.330 1.00 0.00 C ATOM 1499 NE ARG A 101 22.295 -3.773 -0.082 1.00 0.00 N ATOM 1500 CZ ARG A 101 22.798 -2.704 -0.715 1.00 0.00 C ATOM 1501 NH1 ARG A 101 22.927 -1.539 -0.064 1.00 0.00 N ATOM 1502 NH2 ARG A 101 23.173 -2.800 -1.998 1.00 0.00 N ATOM 0 H ARG A 101 17.629 -5.636 3.940 1.00 0.00 H new ATOM 0 HA ARG A 101 19.500 -7.085 2.184 1.00 0.00 H new ATOM 0 HB2 ARG A 101 19.153 -4.687 1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 101 19.781 -4.148 2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 101 21.859 -5.614 2.448 1.00 0.00 H new ATOM 0 HG3 ARG A 101 21.242 -5.772 0.815 1.00 0.00 H new ATOM 0 HD2 ARG A 101 21.121 -2.978 1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 101 22.700 -3.556 1.983 1.00 0.00 H new ATOM 0 HE ARG A 101 22.211 -4.644 -0.607 1.00 0.00 H new ATOM 0 HH11 ARG A 101 22.642 -1.466 0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 101 23.310 -0.725 -0.546 1.00 0.00 H new ATOM 0 HH21 ARG A 101 23.076 -3.687 -2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 101 23.556 -1.986 -2.480 1.00 0.00 H new ATOM 1516 N PHE A 102 19.874 -5.584 5.116 1.00 0.00 N ATOM 1517 CA PHE A 102 20.537 -5.679 6.406 1.00 0.00 C ATOM 1518 C PHE A 102 19.611 -5.217 7.533 1.00 0.00 C ATOM 1519 O PHE A 102 20.077 -4.740 8.567 1.00 0.00 O ATOM 1520 CB PHE A 102 21.756 -4.757 6.351 1.00 0.00 C ATOM 1521 CG PHE A 102 22.769 -5.127 5.266 1.00 0.00 C ATOM 1522 CD1 PHE A 102 23.116 -6.428 5.076 1.00 0.00 C ATOM 1523 CD2 PHE A 102 23.322 -4.155 4.492 1.00 0.00 C ATOM 1524 CE1 PHE A 102 24.056 -6.772 4.068 1.00 0.00 C ATOM 1525 CE2 PHE A 102 24.262 -4.499 3.485 1.00 0.00 C ATOM 1526 CZ PHE A 102 24.609 -5.800 3.294 1.00 0.00 C ATOM 0 H PHE A 102 19.251 -4.783 5.014 1.00 0.00 H new ATOM 0 HA PHE A 102 20.819 -6.713 6.605 1.00 0.00 H new ATOM 0 HB2 PHE A 102 21.418 -3.734 6.184 1.00 0.00 H new ATOM 0 HB3 PHE A 102 22.255 -4.773 7.320 1.00 0.00 H new ATOM 0 HD1 PHE A 102 22.677 -7.200 5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 102 23.046 -3.122 4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 102 24.331 -7.805 3.916 1.00 0.00 H new ATOM 0 HE2 PHE A 102 24.702 -3.727 2.871 1.00 0.00 H new ATOM 0 HZ PHE A 102 25.324 -6.061 2.528 1.00 0.00 H new ATOM 1536 N SER A 103 18.318 -5.373 7.295 1.00 0.00 N ATOM 1537 CA SER A 103 17.323 -4.977 8.277 1.00 0.00 C ATOM 1538 C SER A 103 17.464 -3.486 8.593 1.00 0.00 C ATOM 1539 O SER A 103 17.765 -3.114 9.726 1.00 0.00 O ATOM 1540 CB SER A 103 17.452 -5.805 9.557 1.00 0.00 C ATOM 1541 OG SER A 103 17.377 -7.204 9.297 1.00 0.00 O ATOM 0 H SER A 103 17.936 -5.768 6.436 1.00 0.00 H new ATOM 0 HA SER A 103 16.335 -5.161 7.856 1.00 0.00 H new ATOM 0 HB2 SER A 103 18.401 -5.577 10.042 1.00 0.00 H new ATOM 0 HB3 SER A 103 16.662 -5.523 10.253 1.00 0.00 H new ATOM 0 HG SER A 103 17.465 -7.698 10.139 1.00 0.00 H new ATOM 1547 N ARG A 104 17.239 -2.674 7.571 1.00 0.00 N ATOM 1548 CA ARG A 104 17.337 -1.232 7.725 1.00 0.00 C ATOM 1549 C ARG A 104 16.027 -0.667 8.277 1.00 0.00 C ATOM 1550 O ARG A 104 14.964 -0.870 7.693 1.00 0.00 O ATOM 1551 CB ARG A 104 17.654 -0.555 6.390 1.00 0.00 C ATOM 1552 CG ARG A 104 19.121 -0.759 6.007 1.00 0.00 C ATOM 1553 CD ARG A 104 19.257 -1.796 4.890 1.00 0.00 C ATOM 1554 NE ARG A 104 19.008 -1.161 3.577 1.00 0.00 N ATOM 1555 CZ ARG A 104 19.919 -0.442 2.905 1.00 0.00 C ATOM 1556 NH1 ARG A 104 21.143 -0.263 3.419 1.00 0.00 N ATOM 1557 NH2 ARG A 104 19.604 0.097 1.719 1.00 0.00 N ATOM 0 H ARG A 104 16.989 -2.987 6.633 1.00 0.00 H new ATOM 0 HA ARG A 104 18.148 -1.028 8.424 1.00 0.00 H new ATOM 0 HB2 ARG A 104 17.011 -0.962 5.610 1.00 0.00 H new ATOM 0 HB3 ARG A 104 17.437 0.511 6.458 1.00 0.00 H new ATOM 0 HG2 ARG A 104 19.551 0.189 5.683 1.00 0.00 H new ATOM 0 HG3 ARG A 104 19.687 -1.084 6.880 1.00 0.00 H new ATOM 0 HD2 ARG A 104 20.255 -2.233 4.908 1.00 0.00 H new ATOM 0 HD3 ARG A 104 18.549 -2.610 5.050 1.00 0.00 H new ATOM 0 HE ARG A 104 18.086 -1.277 3.157 1.00 0.00 H new ATOM 0 HH11 ARG A 104 21.382 -0.674 4.322 1.00 0.00 H new ATOM 0 HH12 ARG A 104 21.836 0.284 2.908 1.00 0.00 H new ATOM 0 HH21 ARG A 104 18.672 -0.040 1.328 1.00 0.00 H new ATOM 0 HH22 ARG A 104 20.296 0.644 1.207 1.00 0.00 H new ATOM 1571 N HIS A 105 16.146 0.031 9.398 1.00 0.00 N ATOM 1572 CA HIS A 105 14.984 0.626 10.035 1.00 0.00 C ATOM 1573 C HIS A 105 14.427 1.741 9.148 1.00 0.00 C ATOM 1574 O HIS A 105 15.067 2.147 8.179 1.00 0.00 O ATOM 1575 CB HIS A 105 15.326 1.107 11.447 1.00 0.00 C ATOM 1576 CG HIS A 105 16.321 2.242 11.485 1.00 0.00 C ATOM 1577 ND1 HIS A 105 15.973 3.533 11.842 1.00 0.00 N ATOM 1578 CD2 HIS A 105 17.656 2.267 11.207 1.00 0.00 C ATOM 1579 CE1 HIS A 105 17.057 4.292 11.779 1.00 0.00 C ATOM 1580 NE2 HIS A 105 18.099 3.505 11.385 1.00 0.00 N ATOM 0 H HIS A 105 17.029 0.197 9.881 1.00 0.00 H new ATOM 0 HA HIS A 105 14.202 -0.125 10.148 1.00 0.00 H new ATOM 0 HB2 HIS A 105 14.409 1.424 11.944 1.00 0.00 H new ATOM 0 HB3 HIS A 105 15.724 0.269 12.019 1.00 0.00 H new ATOM 0 HD2 HIS A 105 18.252 1.422 10.895 1.00 0.00 H new ATOM 0 HE1 HIS A 105 17.107 5.348 12.001 1.00 0.00 H new ATOM 0 HE2 HIS A 105 19.061 3.817 11.249 1.00 0.00 H new ATOM 1588 N SER A 106 13.240 2.205 9.510 1.00 0.00 N ATOM 1589 CA SER A 106 12.589 3.265 8.759 1.00 0.00 C ATOM 1590 C SER A 106 12.291 2.790 7.335 1.00 0.00 C ATOM 1591 O SER A 106 12.591 1.651 6.981 1.00 0.00 O ATOM 1592 CB SER A 106 13.452 4.527 8.728 1.00 0.00 C ATOM 1593 OG SER A 106 14.079 4.777 9.983 1.00 0.00 O ATOM 0 H SER A 106 12.712 1.866 10.314 1.00 0.00 H new ATOM 0 HA SER A 106 11.651 3.511 9.257 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.215 4.426 7.956 1.00 0.00 H new ATOM 0 HB3 SER A 106 12.834 5.382 8.455 1.00 0.00 H new ATOM 0 HG SER A 106 14.781 4.110 10.137 1.00 0.00 H new ATOM 1599 N VAL A 107 11.705 3.688 6.557 1.00 0.00 N ATOM 1600 CA VAL A 107 11.363 3.375 5.180 1.00 0.00 C ATOM 1601 C VAL A 107 12.161 4.283 4.242 1.00 0.00 C ATOM 1602 O VAL A 107 12.859 5.188 4.695 1.00 0.00 O ATOM 1603 CB VAL A 107 9.850 3.488 4.977 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.095 2.644 6.006 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.398 4.949 5.029 1.00 0.00 C ATOM 0 H VAL A 107 11.458 4.632 6.854 1.00 0.00 H new ATOM 0 HA VAL A 107 11.633 2.346 4.944 1.00 0.00 H new ATOM 0 HB VAL A 107 9.614 3.099 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.022 2.742 5.840 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.385 1.598 5.902 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.340 2.990 7.010 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.319 5.002 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.653 5.374 6.000 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.899 5.513 4.242 1.00 0.00 H new ATOM 1615 N ALA A 108 12.031 4.008 2.952 1.00 0.00 N ATOM 1616 CA ALA A 108 12.732 4.789 1.947 1.00 0.00 C ATOM 1617 C ALA A 108 11.986 6.105 1.718 1.00 0.00 C ATOM 1618 O ALA A 108 12.482 6.991 1.024 1.00 0.00 O ATOM 1619 CB ALA A 108 12.868 3.965 0.664 1.00 0.00 C ATOM 0 H ALA A 108 11.451 3.256 2.580 1.00 0.00 H new ATOM 0 HA ALA A 108 13.739 5.035 2.285 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.394 4.550 -0.090 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.430 3.055 0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 108 11.877 3.702 0.294 1.00 0.00 H new ATOM 1625 N GLY A 109 10.806 6.191 2.315 1.00 0.00 N ATOM 1626 CA GLY A 109 9.987 7.384 2.185 1.00 0.00 C ATOM 1627 C GLY A 109 8.544 7.107 2.612 1.00 0.00 C ATOM 1628 O GLY A 109 7.994 6.051 2.305 1.00 0.00 O ATOM 0 H GLY A 109 10.398 5.454 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.404 8.184 2.797 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.004 7.731 1.152 1.00 0.00 H new ATOM 1632 N GLU A 110 7.972 8.076 3.313 1.00 0.00 N ATOM 1633 CA GLU A 110 6.604 7.950 3.786 1.00 0.00 C ATOM 1634 C GLU A 110 5.680 8.870 2.986 1.00 0.00 C ATOM 1635 O GLU A 110 6.111 9.909 2.489 1.00 0.00 O ATOM 1636 CB GLU A 110 6.512 8.247 5.284 1.00 0.00 C ATOM 1637 CG GLU A 110 7.179 7.141 6.104 1.00 0.00 C ATOM 1638 CD GLU A 110 8.663 7.440 6.323 1.00 0.00 C ATOM 1639 OE1 GLU A 110 9.226 8.167 5.476 1.00 0.00 O ATOM 1640 OE2 GLU A 110 9.201 6.935 7.332 1.00 0.00 O ATOM 0 H GLU A 110 8.431 8.951 3.564 1.00 0.00 H new ATOM 0 HA GLU A 110 6.280 6.920 3.634 1.00 0.00 H new ATOM 0 HB2 GLU A 110 6.990 9.203 5.499 1.00 0.00 H new ATOM 0 HB3 GLU A 110 5.466 8.341 5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 110 6.678 7.045 7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 110 7.069 6.186 5.591 1.00 0.00 H new ATOM 1647 N LEU A 111 4.425 8.455 2.887 1.00 0.00 N ATOM 1648 CA LEU A 111 3.437 9.229 2.156 1.00 0.00 C ATOM 1649 C LEU A 111 2.063 9.034 2.802 1.00 0.00 C ATOM 1650 O LEU A 111 1.424 8.001 2.609 1.00 0.00 O ATOM 1651 CB LEU A 111 3.472 8.875 0.668 1.00 0.00 C ATOM 1652 CG LEU A 111 3.073 9.994 -0.297 1.00 0.00 C ATOM 1653 CD1 LEU A 111 2.110 10.977 0.371 1.00 0.00 C ATOM 1654 CD2 LEU A 111 4.309 10.697 -0.862 1.00 0.00 C ATOM 0 H LEU A 111 4.070 7.593 3.301 1.00 0.00 H new ATOM 0 HA LEU A 111 3.669 10.293 2.212 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.481 8.548 0.416 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.810 8.025 0.501 1.00 0.00 H new ATOM 0 HG LEU A 111 2.544 9.547 -1.138 1.00 0.00 H new ATOM 0 HD11 LEU A 111 1.843 11.762 -0.336 1.00 0.00 H new ATOM 0 HD12 LEU A 111 1.210 10.448 0.684 1.00 0.00 H new ATOM 0 HD13 LEU A 111 2.591 11.422 1.242 1.00 0.00 H new ATOM 0 HD21 LEU A 111 3.998 11.488 -1.545 1.00 0.00 H new ATOM 0 HD22 LEU A 111 4.887 11.130 -0.045 1.00 0.00 H new ATOM 0 HD23 LEU A 111 4.924 9.975 -1.399 1.00 0.00 H new ATOM 1666 N ARG A 112 1.651 10.042 3.556 1.00 0.00 N ATOM 1667 CA ARG A 112 0.365 9.995 4.231 1.00 0.00 C ATOM 1668 C ARG A 112 -0.743 10.488 3.299 1.00 0.00 C ATOM 1669 O ARG A 112 -0.515 11.365 2.467 1.00 0.00 O ATOM 1670 CB ARG A 112 0.376 10.853 5.498 1.00 0.00 C ATOM 1671 CG ARG A 112 -1.047 11.205 5.935 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.046 11.907 7.294 1.00 0.00 C ATOM 1673 NE ARG A 112 -1.675 13.241 7.175 1.00 0.00 N ATOM 1674 CZ ARG A 112 -2.159 13.938 8.212 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -2.088 13.433 9.451 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -2.713 15.142 8.010 1.00 0.00 N ATOM 0 H ARG A 112 2.185 10.896 3.715 1.00 0.00 H new ATOM 0 HA ARG A 112 0.175 8.958 4.509 1.00 0.00 H new ATOM 0 HB2 ARG A 112 0.884 10.317 6.300 1.00 0.00 H new ATOM 0 HB3 ARG A 112 0.941 11.767 5.317 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -1.511 11.850 5.189 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.649 10.298 5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.587 11.305 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -0.024 12.009 7.659 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.744 13.656 6.246 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -1.665 12.518 9.605 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -2.457 13.964 10.240 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.766 15.527 7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -3.082 15.673 8.799 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.920 9.903 3.469 1.00 0.00 N ATOM 1691 CA LEU A 113 -3.064 10.272 2.653 1.00 0.00 C ATOM 1692 C LEU A 113 -4.347 10.071 3.461 1.00 0.00 C ATOM 1693 O LEU A 113 -4.309 9.544 4.572 1.00 0.00 O ATOM 1694 CB LEU A 113 -3.046 9.508 1.328 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.714 9.504 0.574 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.707 8.434 -0.520 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.395 10.894 0.019 1.00 0.00 C ATOM 0 H LEU A 113 -2.106 9.176 4.160 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.017 11.328 2.386 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.333 8.475 1.523 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.809 9.933 0.676 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.922 9.249 1.279 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.750 8.452 -1.041 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.857 7.453 -0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.510 8.634 -1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.444 10.864 -0.512 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.184 11.202 -0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.330 11.608 0.840 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.453 10.501 2.872 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.746 10.375 3.524 1.00 0.00 C ATOM 1711 C GLY A 114 -7.737 9.621 2.634 1.00 0.00 C ATOM 1712 O GLY A 114 -7.598 9.614 1.412 1.00 0.00 O ATOM 0 H GLY A 114 -5.481 10.937 1.950 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.630 9.849 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.139 11.365 3.755 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.715 9.006 3.282 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.729 8.251 2.566 1.00 0.00 C ATOM 1718 C LEU A 115 -11.069 8.983 2.666 1.00 0.00 C ATOM 1719 O LEU A 115 -11.923 8.842 1.792 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.777 6.807 3.069 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.438 6.197 3.486 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -7.327 6.594 2.512 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -8.092 6.567 4.930 1.00 0.00 C ATOM 0 H LEU A 115 -8.827 9.015 4.296 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.479 8.186 1.507 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.455 6.763 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -10.209 6.184 2.285 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.531 5.112 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.386 6.147 2.832 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.576 6.239 1.512 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.227 7.679 2.497 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -7.135 6.120 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.025 7.651 5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.869 6.193 5.597 1.00 0.00 H new ATOM 1735 N ASP A 116 -11.210 9.747 3.738 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.432 10.501 3.964 1.00 0.00 C ATOM 1737 C ASP A 116 -12.777 11.295 2.702 1.00 0.00 C ATOM 1738 O ASP A 116 -13.942 11.605 2.459 1.00 0.00 O ATOM 1739 CB ASP A 116 -12.262 11.494 5.115 1.00 0.00 C ATOM 1740 CG ASP A 116 -10.856 12.081 5.261 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -9.915 11.270 5.397 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -10.755 13.326 5.232 1.00 0.00 O ATOM 0 H ASP A 116 -10.499 9.861 4.460 1.00 0.00 H new ATOM 0 HA ASP A 116 -13.223 9.794 4.212 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.968 12.312 4.976 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -12.530 10.996 6.047 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.743 11.600 1.932 1.00 0.00 N ATOM 1748 CA GLY A 117 -11.922 12.351 0.702 1.00 0.00 C ATOM 1749 C GLY A 117 -11.598 13.832 0.911 1.00 0.00 C ATOM 1750 O GLY A 117 -12.326 14.703 0.438 1.00 0.00 O ATOM 0 H GLY A 117 -10.778 11.340 2.137 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.278 11.941 -0.076 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -12.949 12.246 0.354 1.00 0.00 H new ATOM 1754 N THR A 118 -10.506 14.072 1.622 1.00 0.00 N ATOM 1755 CA THR A 118 -10.077 15.432 1.900 1.00 0.00 C ATOM 1756 C THR A 118 -8.684 15.681 1.319 1.00 0.00 C ATOM 1757 O THR A 118 -8.553 16.203 0.213 1.00 0.00 O ATOM 1758 CB THR A 118 -10.153 15.652 3.412 1.00 0.00 C ATOM 1759 OG1 THR A 118 -11.537 15.884 3.660 1.00 0.00 O ATOM 1760 CG2 THR A 118 -9.473 16.950 3.850 1.00 0.00 C ATOM 0 H THR A 118 -9.905 13.347 2.014 1.00 0.00 H new ATOM 0 HA THR A 118 -10.730 16.159 1.418 1.00 0.00 H new ATOM 0 HB THR A 118 -9.690 14.809 3.925 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.896 15.160 4.214 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.556 17.057 4.932 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.421 16.923 3.568 1.00 0.00 H new ATOM 0 HG23 THR A 118 -9.957 17.797 3.363 1.00 0.00 H new ATOM 1768 N SER A 119 -7.678 15.297 2.091 1.00 0.00 N ATOM 1769 CA SER A 119 -6.300 15.472 1.667 1.00 0.00 C ATOM 1770 C SER A 119 -6.171 15.180 0.171 1.00 0.00 C ATOM 1771 O SER A 119 -5.623 15.988 -0.578 1.00 0.00 O ATOM 1772 CB SER A 119 -5.358 14.569 2.467 1.00 0.00 C ATOM 1773 OG SER A 119 -5.199 15.020 3.809 1.00 0.00 O ATOM 0 H SER A 119 -7.790 14.865 3.008 1.00 0.00 H new ATOM 0 HA SER A 119 -6.014 16.507 1.855 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.747 13.551 2.470 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.385 14.536 1.978 1.00 0.00 H new ATOM 0 HG SER A 119 -4.592 14.417 4.287 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.686 14.024 -0.220 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.635 13.615 -1.614 1.00 0.00 C ATOM 1781 C VAL A 120 -7.970 12.976 -2.002 1.00 0.00 C ATOM 1782 O VAL A 120 -8.521 12.175 -1.249 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.439 12.689 -1.845 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -5.295 11.685 -0.699 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.554 11.972 -3.191 1.00 0.00 C ATOM 0 H VAL A 120 -7.141 13.357 0.404 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.488 14.480 -2.261 1.00 0.00 H new ATOM 0 HB VAL A 120 -4.538 13.303 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -4.438 11.039 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -5.146 12.221 0.238 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -6.198 11.079 -0.631 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.692 11.320 -3.331 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -6.466 11.376 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -5.586 12.708 -3.994 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.464 13.365 -3.208 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.724 12.839 -3.706 1.00 0.00 C ATOM 1797 C PRO A 121 -9.561 11.399 -4.197 1.00 0.00 C ATOM 1798 O PRO A 121 -8.444 10.892 -4.285 1.00 0.00 O ATOM 1799 CB PRO A 121 -10.143 13.799 -4.807 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.886 14.557 -5.201 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.838 14.312 -4.127 1.00 0.00 C ATOM 0 HA PRO A 121 -10.491 12.781 -2.934 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.557 13.259 -5.659 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.917 14.482 -4.456 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.524 14.218 -6.172 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -9.096 15.623 -5.293 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.922 13.903 -4.553 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.568 15.238 -3.619 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.692 10.781 -4.504 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.689 9.410 -4.985 1.00 0.00 C ATOM 1811 C LEU A 122 -10.726 9.410 -6.514 1.00 0.00 C ATOM 1812 O LEU A 122 -11.186 10.371 -7.128 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.827 8.615 -4.342 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.644 8.256 -2.866 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -12.956 7.759 -2.256 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.509 7.247 -2.683 1.00 0.00 C ATOM 0 H LEU A 122 -11.617 11.205 -4.429 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.770 8.904 -4.689 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.748 9.189 -4.444 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.963 7.692 -4.906 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.360 9.160 -2.328 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.798 7.511 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.712 8.540 -2.334 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.293 6.872 -2.792 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.401 7.009 -1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.738 6.337 -3.238 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.578 7.675 -3.056 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.235 8.320 -7.086 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.206 8.182 -8.532 1.00 0.00 C ATOM 1830 C GLY A 123 -9.394 9.309 -9.174 1.00 0.00 C ATOM 1831 O GLY A 123 -9.484 9.534 -10.380 1.00 0.00 O ATOM 0 H GLY A 123 -9.854 7.524 -6.574 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.773 7.218 -8.800 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.224 8.194 -8.923 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.620 9.987 -8.340 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.792 11.084 -8.811 1.00 0.00 C ATOM 1837 C ALA A 124 -6.338 10.829 -8.411 1.00 0.00 C ATOM 1838 O ALA A 124 -5.955 11.062 -7.265 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.328 12.404 -8.252 1.00 0.00 C ATOM 0 H ALA A 124 -8.549 9.798 -7.340 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.827 11.152 -9.898 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.707 13.227 -8.605 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.354 12.552 -8.590 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.305 12.374 -7.163 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.566 10.353 -9.378 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.162 10.064 -9.140 1.00 0.00 C ATOM 1847 C ALA A 125 -3.417 11.371 -8.861 1.00 0.00 C ATOM 1848 O ALA A 125 -3.706 12.397 -9.474 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.587 9.309 -10.340 1.00 0.00 C ATOM 0 H ALA A 125 -5.886 10.161 -10.327 1.00 0.00 H new ATOM 0 HA ALA A 125 -4.044 9.425 -8.265 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.534 9.092 -10.162 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.132 8.375 -10.477 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -3.685 9.922 -11.236 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.472 11.290 -7.936 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.683 12.453 -7.568 1.00 0.00 C ATOM 1857 C GLN A 126 -0.214 12.063 -7.390 1.00 0.00 C ATOM 1858 O GLN A 126 0.091 10.926 -7.033 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.233 13.111 -6.302 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.763 13.115 -6.306 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.306 14.141 -7.303 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -3.626 14.576 -8.218 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.566 14.501 -7.076 1.00 0.00 N ATOM 0 H GLN A 126 -2.235 10.437 -7.430 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.750 13.183 -8.375 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -1.870 12.578 -5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.863 14.134 -6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -4.132 12.122 -6.563 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -4.132 13.343 -5.306 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -6.078 14.098 -6.292 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -6.020 15.180 -7.686 1.00 0.00 H new ATOM 1872 N TRP A 127 0.656 13.029 -7.646 1.00 0.00 N ATOM 1873 CA TRP A 127 2.086 12.801 -7.518 1.00 0.00 C ATOM 1874 C TRP A 127 2.537 13.371 -6.172 1.00 0.00 C ATOM 1875 O TRP A 127 2.997 14.509 -6.099 1.00 0.00 O ATOM 1876 CB TRP A 127 2.845 13.398 -8.705 1.00 0.00 C ATOM 1877 CG TRP A 127 3.024 12.433 -9.879 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.322 12.381 -11.019 1.00 0.00 C ATOM 1879 CD2 TRP A 127 4.002 11.377 -9.982 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.773 11.372 -11.845 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.828 10.743 -11.195 1.00 0.00 C ATOM 1882 CE3 TRP A 127 5.001 10.971 -9.079 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.616 9.665 -11.617 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.780 9.892 -9.516 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.617 9.243 -10.734 1.00 0.00 C ATOM 0 H TRP A 127 0.399 13.971 -7.941 1.00 0.00 H new ATOM 0 HA TRP A 127 2.310 11.734 -7.537 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.314 14.284 -9.054 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.827 13.728 -8.366 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.506 13.045 -11.261 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.401 11.132 -12.764 1.00 0.00 H new ATOM 0 HE3 TRP A 127 5.155 11.453 -8.125 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.460 9.185 -12.572 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.562 9.540 -8.860 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.260 8.416 -10.998 1.00 0.00 H new ATOM 1896 N GLY A 128 2.389 12.553 -5.140 1.00 0.00 N ATOM 1897 CA GLY A 128 2.776 12.962 -3.800 1.00 0.00 C ATOM 1898 C GLY A 128 4.291 12.861 -3.612 1.00 0.00 C ATOM 1899 O GLY A 128 4.980 12.239 -4.419 1.00 0.00 O ATOM 0 H GLY A 128 2.007 11.610 -5.205 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.451 13.987 -3.621 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.272 12.335 -3.065 1.00 0.00 H new ATOM 1903 N GLU A 129 4.765 13.481 -2.541 1.00 0.00 N ATOM 1904 CA GLU A 129 6.185 13.469 -2.237 1.00 0.00 C ATOM 1905 C GLU A 129 6.443 12.698 -0.941 1.00 0.00 C ATOM 1906 O GLU A 129 5.786 12.938 0.071 1.00 0.00 O ATOM 1907 CB GLU A 129 6.739 14.892 -2.147 1.00 0.00 C ATOM 1908 CG GLU A 129 7.764 15.152 -3.253 1.00 0.00 C ATOM 1909 CD GLU A 129 7.752 16.622 -3.678 1.00 0.00 C ATOM 1910 OE1 GLU A 129 6.652 17.215 -3.638 1.00 0.00 O ATOM 1911 OE2 GLU A 129 8.842 17.119 -4.033 1.00 0.00 O ATOM 0 H GLU A 129 4.190 13.995 -1.873 1.00 0.00 H new ATOM 0 HA GLU A 129 6.706 12.962 -3.049 1.00 0.00 H new ATOM 0 HB2 GLU A 129 5.923 15.610 -2.227 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.203 15.044 -1.173 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.759 14.879 -2.902 1.00 0.00 H new ATOM 0 HG3 GLU A 129 7.545 14.519 -4.113 1.00 0.00 H new ATOM 1918 N LEU A 130 7.402 11.786 -1.013 1.00 0.00 N ATOM 1919 CA LEU A 130 7.755 10.978 0.142 1.00 0.00 C ATOM 1920 C LEU A 130 8.348 11.879 1.227 1.00 0.00 C ATOM 1921 O LEU A 130 9.227 12.693 0.951 1.00 0.00 O ATOM 1922 CB LEU A 130 8.674 9.827 -0.271 1.00 0.00 C ATOM 1923 CG LEU A 130 8.064 8.784 -1.210 1.00 0.00 C ATOM 1924 CD1 LEU A 130 9.119 7.780 -1.675 1.00 0.00 C ATOM 1925 CD2 LEU A 130 6.864 8.094 -0.558 1.00 0.00 C ATOM 0 H LEU A 130 7.945 11.589 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 130 6.866 10.510 0.566 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.557 10.248 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 130 9.015 9.319 0.631 1.00 0.00 H new ATOM 0 HG LEU A 130 7.696 9.298 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.658 7.050 -2.341 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.913 8.306 -2.206 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.539 7.267 -0.810 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.449 7.358 -1.247 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.184 7.595 0.357 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.103 8.837 -0.319 1.00 0.00 H new ATOM 1937 N LYS A 131 7.842 11.703 2.439 1.00 0.00 N ATOM 1938 CA LYS A 131 8.310 12.490 3.567 1.00 0.00 C ATOM 1939 C LYS A 131 9.409 11.718 4.301 1.00 0.00 C ATOM 1940 O LYS A 131 9.282 11.431 5.491 1.00 0.00 O ATOM 1941 CB LYS A 131 7.137 12.892 4.463 1.00 0.00 C ATOM 1942 CG LYS A 131 6.311 14.006 3.818 1.00 0.00 C ATOM 1943 CD LYS A 131 7.136 15.286 3.670 1.00 0.00 C ATOM 1944 CE LYS A 131 7.547 15.508 2.214 1.00 0.00 C ATOM 1945 NZ LYS A 131 7.270 16.903 1.804 1.00 0.00 N ATOM 0 H LYS A 131 7.112 11.027 2.664 1.00 0.00 H new ATOM 0 HA LYS A 131 8.752 13.425 3.222 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.503 12.025 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.512 13.226 5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.958 13.682 2.839 1.00 0.00 H new ATOM 0 HG3 LYS A 131 5.428 14.207 4.425 1.00 0.00 H new ATOM 0 HD2 LYS A 131 6.556 16.139 4.022 1.00 0.00 H new ATOM 0 HD3 LYS A 131 8.025 15.224 4.297 1.00 0.00 H new ATOM 0 HE2 LYS A 131 8.608 15.291 2.092 1.00 0.00 H new ATOM 0 HE3 LYS A 131 7.004 14.818 1.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.555 17.037 0.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 6.253 17.098 1.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 7.807 17.556 2.410 1.00 0.00 H new ATOM 1959 N THR A 132 10.462 11.403 3.562 1.00 0.00 N ATOM 1960 CA THR A 132 11.582 10.670 4.127 1.00 0.00 C ATOM 1961 C THR A 132 11.844 11.123 5.565 1.00 0.00 C ATOM 1962 O THR A 132 11.679 10.346 6.504 1.00 0.00 O ATOM 1963 CB THR A 132 12.786 10.858 3.202 1.00 0.00 C ATOM 1964 OG1 THR A 132 12.994 12.268 3.184 1.00 0.00 O ATOM 1965 CG2 THR A 132 12.466 10.510 1.747 1.00 0.00 C ATOM 0 H THR A 132 10.563 11.642 2.576 1.00 0.00 H new ATOM 0 HA THR A 132 11.366 9.603 4.189 1.00 0.00 H new ATOM 0 HB THR A 132 13.612 10.238 3.551 1.00 0.00 H new ATOM 0 HG1 THR A 132 13.759 12.479 2.608 1.00 0.00 H new ATOM 0 HG21 THR A 132 13.354 10.661 1.133 1.00 0.00 H new ATOM 0 HG22 THR A 132 12.153 9.468 1.683 1.00 0.00 H new ATOM 0 HG23 THR A 132 11.663 11.153 1.387 1.00 0.00 H new ATOM 1973 N SER A 133 12.247 12.379 5.692 1.00 0.00 N ATOM 1974 CA SER A 133 12.534 12.944 6.999 1.00 0.00 C ATOM 1975 C SER A 133 11.394 13.870 7.430 1.00 0.00 C ATOM 1976 O SER A 133 11.419 15.066 7.142 1.00 0.00 O ATOM 1977 CB SER A 133 13.861 13.704 6.992 1.00 0.00 C ATOM 1978 OG SER A 133 14.701 13.323 8.078 1.00 0.00 O ATOM 0 H SER A 133 12.381 13.021 4.911 1.00 0.00 H new ATOM 0 HA SER A 133 12.620 12.126 7.714 1.00 0.00 H new ATOM 0 HB2 SER A 133 14.379 13.520 6.051 1.00 0.00 H new ATOM 0 HB3 SER A 133 13.665 14.775 7.044 1.00 0.00 H new ATOM 0 HG SER A 133 15.581 13.740 7.973 1.00 0.00 H new ATOM 1984 N GLY A 134 10.423 13.283 8.113 1.00 0.00 N ATOM 1985 CA GLY A 134 9.277 14.041 8.586 1.00 0.00 C ATOM 1986 C GLY A 134 8.455 13.225 9.586 1.00 0.00 C ATOM 1987 O GLY A 134 8.678 12.026 9.746 1.00 0.00 O ATOM 0 H GLY A 134 10.406 12.291 8.350 1.00 0.00 H new ATOM 0 HA2 GLY A 134 9.616 14.964 9.056 1.00 0.00 H new ATOM 0 HA3 GLY A 134 8.650 14.325 7.741 1.00 0.00 H new ATOM 1991 N PRO A 135 7.498 13.926 10.251 1.00 0.00 N ATOM 1992 CA PRO A 135 6.642 13.279 11.232 1.00 0.00 C ATOM 1993 C PRO A 135 5.582 12.414 10.548 1.00 0.00 C ATOM 1994 O PRO A 135 4.386 12.612 10.755 1.00 0.00 O ATOM 1995 CB PRO A 135 6.046 14.417 12.044 1.00 0.00 C ATOM 1996 CG PRO A 135 6.222 15.669 11.201 1.00 0.00 C ATOM 1997 CD PRO A 135 7.207 15.347 10.088 1.00 0.00 C ATOM 0 HA PRO A 135 7.187 12.589 11.877 1.00 0.00 H new ATOM 0 HB2 PRO A 135 4.993 14.235 12.257 1.00 0.00 H new ATOM 0 HB3 PRO A 135 6.552 14.518 13.004 1.00 0.00 H new ATOM 0 HG2 PRO A 135 5.266 15.986 10.785 1.00 0.00 H new ATOM 0 HG3 PRO A 135 6.592 16.492 11.812 1.00 0.00 H new ATOM 0 HD2 PRO A 135 6.778 15.554 9.107 1.00 0.00 H new ATOM 0 HD3 PRO A 135 8.112 15.949 10.173 1.00 0.00 H new ATOM 2005 N SER A 136 6.059 11.473 9.746 1.00 0.00 N ATOM 2006 CA SER A 136 5.167 10.577 9.031 1.00 0.00 C ATOM 2007 C SER A 136 5.614 9.127 9.228 1.00 0.00 C ATOM 2008 O SER A 136 6.662 8.722 8.726 1.00 0.00 O ATOM 2009 CB SER A 136 5.121 10.920 7.540 1.00 0.00 C ATOM 2010 OG SER A 136 4.148 11.920 7.253 1.00 0.00 O ATOM 0 H SER A 136 7.052 11.312 9.576 1.00 0.00 H new ATOM 0 HA SER A 136 4.162 10.699 9.436 1.00 0.00 H new ATOM 0 HB2 SER A 136 6.103 11.266 7.217 1.00 0.00 H new ATOM 0 HB3 SER A 136 4.896 10.020 6.968 1.00 0.00 H new ATOM 0 HG SER A 136 4.150 12.113 6.292 1.00 0.00 H new ATOM 2016 N SER A 137 4.797 8.384 9.960 1.00 0.00 N ATOM 2017 CA SER A 137 5.095 6.987 10.230 1.00 0.00 C ATOM 2018 C SER A 137 3.809 6.236 10.581 1.00 0.00 C ATOM 2019 O SER A 137 3.178 6.520 11.598 1.00 0.00 O ATOM 2020 CB SER A 137 6.115 6.851 11.362 1.00 0.00 C ATOM 2021 OG SER A 137 7.083 5.841 11.089 1.00 0.00 O ATOM 0 H SER A 137 3.929 8.723 10.375 1.00 0.00 H new ATOM 0 HA SER A 137 5.529 6.550 9.331 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.619 7.806 11.512 1.00 0.00 H new ATOM 0 HB3 SER A 137 5.596 6.615 12.291 1.00 0.00 H new ATOM 0 HG SER A 137 7.717 5.786 11.834 1.00 0.00 H new ATOM 2027 N GLY A 138 3.458 5.293 9.719 1.00 0.00 N ATOM 2028 CA GLY A 138 2.259 4.499 9.925 1.00 0.00 C ATOM 2029 C GLY A 138 2.478 3.448 11.014 1.00 0.00 C ATOM 2030 O GLY A 138 3.393 2.631 10.919 1.00 0.00 O ATOM 0 H GLY A 138 3.983 5.061 8.876 1.00 0.00 H new ATOM 0 HA2 GLY A 138 1.431 5.150 10.204 1.00 0.00 H new ATOM 0 HA3 GLY A 138 1.978 4.009 8.993 1.00 0.00 H new TER 2034 GLY A 138