USER MOD reduce.3.24.130724 H: found=0, std=0, add=1006, rem=0, adj=38 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 49 GLN : amide:sc= -0.926 K(o=-0.056,f=-9.9!) USER MOD Set 1.2: A 95 THR OG1 : rot 146:sc= 0.87 USER MOD Set 2.1: A 11 GLN : amide:sc= 0.122 X(o=0.37,f=0.39) USER MOD Set 2.2: A 39 ASN : amide:sc= 0.243 X(o=0.37,f=0.39) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 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 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS :FLIP no HE2:sc= -3.3 F(o=-7.5!,f=-3.3) USER MOD Single : A 17 TYR OH : rot 0:sc= -0.955 USER MOD Single : A 18 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot -37:sc= 0.518 USER MOD Single : A 23 CYS SG : rot 180:sc= -1.14 USER MOD Single : A 24 GLN : amide:sc= -0.0081 X(o=-0.0081,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= -0.494 USER MOD Single : A 37 THR OG1 : rot -157:sc= -0.243 USER MOD Single : A 38 SER OG : rot 180:sc= -1.22 USER MOD Single : A 40 HIS : no HD1:sc= -0.845 X(o=-0.84,f=-0.5) USER MOD Single : A 44 CYS SG : rot -139:sc= 1.16 USER MOD Single : A 46 CYS SG : rot 170:sc= -0.463 USER MOD Single : A 47 TYR OH : rot 180:sc= 0.00904 USER MOD Single : A 51 SER OG : rot 18:sc= 0.567 USER MOD Single : A 54 ASN : amide:sc= -1.75! C(o=-1.7!,f=-9.5!) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.624 X(o=-0.62,f=-1) USER MOD Single : A 63 THR OG1 : rot 117:sc= 0.445 USER MOD Single : A 66 LYS NZ :NH3+ 168:sc= 0.994 (180deg=0.719) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 GLN : amide:sc= -0.579 X(o=-0.58,f=-0.98) USER MOD Single : A 71 HIS : no HE2:sc= -0.573 K(o=-0.57,f=-1.9!) USER MOD Single : A 72 THR OG1 : rot -122:sc= -1.05 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot -170:sc= -1.64! USER MOD Single : A 91 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 93 THR OG1 : rot 150:sc= -1.02 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0.0153 USER MOD Single : A 99 CYS SG : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 108:sc= 1.11 USER MOD Single : A 105 HIS : no HD1:sc= -0.155 X(o=-0.15,f=-0.01) USER MOD Single : A 106 SER OG : rot 69:sc= 0.0414 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 126 GLN : amide:sc= -1.05 X(o=-1.1,f=-1.1) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 THR OG1 : rot 32:sc= 0.491 USER MOD Single : A 133 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot 180:sc= -0.644 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.223 11.743 20.603 1.00 0.00 N ATOM 2 CA GLY A 1 8.063 11.929 19.432 1.00 0.00 C ATOM 3 C GLY A 1 8.945 13.170 19.581 1.00 0.00 C ATOM 4 O GLY A 1 8.439 14.283 19.714 1.00 0.00 O ATOM 0 H1 GLY A 1 6.635 10.895 20.477 1.00 0.00 H new ATOM 0 H2 GLY A 1 7.822 11.627 21.445 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.610 12.574 20.726 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.689 11.049 19.286 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.439 12.027 18.544 1.00 0.00 H new ATOM 8 N SER A 2 10.249 12.936 19.555 1.00 0.00 N ATOM 9 CA SER A 2 11.206 14.021 19.686 1.00 0.00 C ATOM 10 C SER A 2 12.316 13.869 18.643 1.00 0.00 C ATOM 11 O SER A 2 12.546 14.771 17.840 1.00 0.00 O ATOM 12 CB SER A 2 11.803 14.063 21.094 1.00 0.00 C ATOM 13 OG SER A 2 12.162 15.386 21.483 1.00 0.00 O ATOM 0 H SER A 2 10.665 12.011 19.445 1.00 0.00 H new ATOM 0 HA SER A 2 10.682 14.961 19.515 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.083 13.659 21.805 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.684 13.422 21.133 1.00 0.00 H new ATOM 0 HG SER A 2 12.538 15.370 22.388 1.00 0.00 H new ATOM 19 N SER A 3 12.974 12.720 18.690 1.00 0.00 N ATOM 20 CA SER A 3 14.054 12.438 17.760 1.00 0.00 C ATOM 21 C SER A 3 13.687 12.943 16.364 1.00 0.00 C ATOM 22 O SER A 3 12.513 13.153 16.064 1.00 0.00 O ATOM 23 CB SER A 3 14.367 10.940 17.717 1.00 0.00 C ATOM 24 OG SER A 3 13.194 10.156 17.516 1.00 0.00 O ATOM 0 H SER A 3 12.780 11.974 19.358 1.00 0.00 H new ATOM 0 HA SER A 3 14.947 12.959 18.105 1.00 0.00 H new ATOM 0 HB2 SER A 3 15.078 10.741 16.915 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.847 10.643 18.650 1.00 0.00 H new ATOM 0 HG SER A 3 13.435 9.206 17.493 1.00 0.00 H new ATOM 30 N GLY A 4 14.714 13.125 15.546 1.00 0.00 N ATOM 31 CA GLY A 4 14.514 13.602 14.188 1.00 0.00 C ATOM 32 C GLY A 4 15.724 14.406 13.706 1.00 0.00 C ATOM 33 O GLY A 4 16.859 13.942 13.799 1.00 0.00 O ATOM 0 H GLY A 4 15.687 12.951 15.798 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.347 12.755 13.522 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.619 14.223 14.145 1.00 0.00 H new ATOM 37 N SER A 5 15.439 15.598 13.203 1.00 0.00 N ATOM 38 CA SER A 5 16.489 16.471 12.706 1.00 0.00 C ATOM 39 C SER A 5 17.188 15.821 11.511 1.00 0.00 C ATOM 40 O SER A 5 17.006 14.633 11.251 1.00 0.00 O ATOM 41 CB SER A 5 17.504 16.792 13.805 1.00 0.00 C ATOM 42 OG SER A 5 17.324 18.104 14.331 1.00 0.00 O ATOM 0 H SER A 5 14.496 15.980 13.129 1.00 0.00 H new ATOM 0 HA SER A 5 16.032 17.408 12.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 17.410 16.063 14.610 1.00 0.00 H new ATOM 0 HB3 SER A 5 18.514 16.697 13.405 1.00 0.00 H new ATOM 0 HG SER A 5 17.990 18.270 15.031 1.00 0.00 H new ATOM 48 N SER A 6 17.974 16.629 10.815 1.00 0.00 N ATOM 49 CA SER A 6 18.702 16.148 9.653 1.00 0.00 C ATOM 50 C SER A 6 17.721 15.780 8.537 1.00 0.00 C ATOM 51 O SER A 6 16.719 15.111 8.783 1.00 0.00 O ATOM 52 CB SER A 6 19.575 14.944 10.010 1.00 0.00 C ATOM 53 OG SER A 6 20.392 15.197 11.151 1.00 0.00 O ATOM 0 H SER A 6 18.123 17.614 11.034 1.00 0.00 H new ATOM 0 HA SER A 6 19.357 16.947 9.304 1.00 0.00 H new ATOM 0 HB2 SER A 6 18.939 14.080 10.203 1.00 0.00 H new ATOM 0 HB3 SER A 6 20.208 14.690 9.160 1.00 0.00 H new ATOM 0 HG SER A 6 20.933 14.404 11.348 1.00 0.00 H new ATOM 59 N GLY A 7 18.046 16.232 7.335 1.00 0.00 N ATOM 60 CA GLY A 7 17.207 15.959 6.181 1.00 0.00 C ATOM 61 C GLY A 7 17.071 17.199 5.295 1.00 0.00 C ATOM 62 O GLY A 7 16.419 18.170 5.677 1.00 0.00 O ATOM 0 H GLY A 7 18.879 16.786 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 7 17.634 15.140 5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 7 16.221 15.635 6.513 1.00 0.00 H new ATOM 66 N SER A 8 17.697 17.127 4.130 1.00 0.00 N ATOM 67 CA SER A 8 17.655 18.232 3.188 1.00 0.00 C ATOM 68 C SER A 8 18.343 17.832 1.881 1.00 0.00 C ATOM 69 O SER A 8 19.338 17.108 1.895 1.00 0.00 O ATOM 70 CB SER A 8 18.314 19.482 3.774 1.00 0.00 C ATOM 71 OG SER A 8 18.085 20.634 2.968 1.00 0.00 O ATOM 0 H SER A 8 18.236 16.320 3.817 1.00 0.00 H new ATOM 0 HA SER A 8 16.610 18.467 2.984 1.00 0.00 H new ATOM 0 HB2 SER A 8 17.927 19.659 4.778 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.387 19.315 3.871 1.00 0.00 H new ATOM 0 HG SER A 8 18.520 21.411 3.377 1.00 0.00 H new ATOM 77 N TRP A 9 17.786 18.321 0.782 1.00 0.00 N ATOM 78 CA TRP A 9 18.334 18.023 -0.530 1.00 0.00 C ATOM 79 C TRP A 9 17.472 18.735 -1.574 1.00 0.00 C ATOM 80 O TRP A 9 16.338 19.118 -1.292 1.00 0.00 O ATOM 81 CB TRP A 9 18.423 16.513 -0.758 1.00 0.00 C ATOM 82 CG TRP A 9 19.820 16.023 -1.146 1.00 0.00 C ATOM 83 CD1 TRP A 9 20.994 16.351 -0.588 1.00 0.00 C ATOM 84 CD2 TRP A 9 20.143 15.099 -2.205 1.00 0.00 C ATOM 85 NE1 TRP A 9 22.046 15.708 -1.208 1.00 0.00 N ATOM 86 CE2 TRP A 9 21.512 14.922 -2.223 1.00 0.00 C ATOM 87 CE3 TRP A 9 19.307 14.433 -3.119 1.00 0.00 C ATOM 88 CZ2 TRP A 9 22.165 14.083 -3.134 1.00 0.00 C ATOM 89 CZ3 TRP A 9 19.975 13.598 -4.022 1.00 0.00 C ATOM 90 CH2 TRP A 9 21.352 13.410 -4.053 1.00 0.00 C ATOM 0 H TRP A 9 16.961 18.921 0.774 1.00 0.00 H new ATOM 0 HA TRP A 9 19.357 18.390 -0.613 1.00 0.00 H new ATOM 0 HB2 TRP A 9 18.109 16.000 0.151 1.00 0.00 H new ATOM 0 HB3 TRP A 9 17.720 16.232 -1.542 1.00 0.00 H new ATOM 0 HD1 TRP A 9 21.103 17.033 0.242 1.00 0.00 H new ATOM 0 HE1 TRP A 9 23.033 15.794 -0.966 1.00 0.00 H new ATOM 0 HE3 TRP A 9 18.234 14.556 -3.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 23.238 13.962 -3.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 19.379 13.062 -4.746 1.00 0.00 H new ATOM 0 HH2 TRP A 9 21.793 12.747 -4.783 1.00 0.00 H new ATOM 101 N ASN A 10 18.043 18.891 -2.760 1.00 0.00 N ATOM 102 CA ASN A 10 17.342 19.550 -3.848 1.00 0.00 C ATOM 103 C ASN A 10 16.262 18.614 -4.394 1.00 0.00 C ATOM 104 O ASN A 10 15.078 18.944 -4.369 1.00 0.00 O ATOM 105 CB ASN A 10 18.297 19.890 -4.994 1.00 0.00 C ATOM 106 CG ASN A 10 18.758 21.346 -4.909 1.00 0.00 C ATOM 107 OD1 ASN A 10 18.249 22.226 -5.584 1.00 0.00 O ATOM 108 ND2 ASN A 10 19.748 21.551 -4.045 1.00 0.00 N ATOM 0 H ASN A 10 18.984 18.572 -2.991 1.00 0.00 H new ATOM 0 HA ASN A 10 16.905 20.470 -3.459 1.00 0.00 H new ATOM 0 HB2 ASN A 10 19.162 19.228 -4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 10 17.801 19.717 -5.949 1.00 0.00 H new ATOM 0 HD21 ASN A 10 20.126 22.489 -3.916 1.00 0.00 H new ATOM 0 HD22 ASN A 10 20.129 20.770 -3.511 1.00 0.00 H new ATOM 115 N GLN A 11 16.710 17.464 -4.876 1.00 0.00 N ATOM 116 CA GLN A 11 15.797 16.477 -5.427 1.00 0.00 C ATOM 117 C GLN A 11 15.120 15.693 -4.302 1.00 0.00 C ATOM 118 O GLN A 11 15.793 15.127 -3.442 1.00 0.00 O ATOM 119 CB GLN A 11 16.523 15.536 -6.391 1.00 0.00 C ATOM 120 CG GLN A 11 16.335 15.985 -7.842 1.00 0.00 C ATOM 121 CD GLN A 11 16.133 14.782 -8.766 1.00 0.00 C ATOM 122 OE1 GLN A 11 17.015 13.963 -8.962 1.00 0.00 O ATOM 123 NE2 GLN A 11 14.925 14.722 -9.320 1.00 0.00 N ATOM 0 H GLN A 11 17.693 17.194 -4.896 1.00 0.00 H new ATOM 0 HA GLN A 11 15.026 17.000 -5.993 1.00 0.00 H new ATOM 0 HB2 GLN A 11 17.586 15.511 -6.149 1.00 0.00 H new ATOM 0 HB3 GLN A 11 16.144 14.521 -6.269 1.00 0.00 H new ATOM 0 HG2 GLN A 11 15.475 16.650 -7.912 1.00 0.00 H new ATOM 0 HG3 GLN A 11 17.206 16.555 -8.166 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.233 15.442 -9.113 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.691 13.956 -9.952 1.00 0.00 H new ATOM 132 N ALA A 12 13.795 15.685 -4.343 1.00 0.00 N ATOM 133 CA ALA A 12 13.019 14.979 -3.337 1.00 0.00 C ATOM 134 C ALA A 12 12.372 13.747 -3.971 1.00 0.00 C ATOM 135 O ALA A 12 12.118 13.724 -5.175 1.00 0.00 O ATOM 136 CB ALA A 12 11.988 15.931 -2.728 1.00 0.00 C ATOM 0 H ALA A 12 13.239 16.156 -5.057 1.00 0.00 H new ATOM 0 HA ALA A 12 13.662 14.634 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 12 11.406 15.402 -1.973 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.500 16.775 -2.266 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.322 16.295 -3.510 1.00 0.00 H new ATOM 142 N PRO A 13 12.116 12.725 -3.111 1.00 0.00 N ATOM 143 CA PRO A 13 11.502 11.492 -3.574 1.00 0.00 C ATOM 144 C PRO A 13 10.008 11.689 -3.839 1.00 0.00 C ATOM 145 O PRO A 13 9.287 12.209 -2.989 1.00 0.00 O ATOM 146 CB PRO A 13 11.783 10.477 -2.477 1.00 0.00 C ATOM 147 CG PRO A 13 12.133 11.287 -1.239 1.00 0.00 C ATOM 148 CD PRO A 13 12.403 12.717 -1.679 1.00 0.00 C ATOM 0 HA PRO A 13 11.908 11.151 -4.527 1.00 0.00 H new ATOM 0 HB2 PRO A 13 10.913 9.845 -2.297 1.00 0.00 H new ATOM 0 HB3 PRO A 13 12.604 9.817 -2.757 1.00 0.00 H new ATOM 0 HG2 PRO A 13 11.315 11.257 -0.519 1.00 0.00 H new ATOM 0 HG3 PRO A 13 13.009 10.868 -0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 13 11.767 13.423 -1.144 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.436 13.004 -1.481 1.00 0.00 H new ATOM 156 N LYS A 14 9.589 11.263 -5.021 1.00 0.00 N ATOM 157 CA LYS A 14 8.194 11.385 -5.409 1.00 0.00 C ATOM 158 C LYS A 14 7.577 9.990 -5.526 1.00 0.00 C ATOM 159 O LYS A 14 8.239 9.050 -5.963 1.00 0.00 O ATOM 160 CB LYS A 14 8.063 12.224 -6.682 1.00 0.00 C ATOM 161 CG LYS A 14 7.559 13.633 -6.361 1.00 0.00 C ATOM 162 CD LYS A 14 6.760 14.209 -7.531 1.00 0.00 C ATOM 163 CE LYS A 14 7.623 14.303 -8.791 1.00 0.00 C ATOM 164 NZ LYS A 14 8.189 15.664 -8.930 1.00 0.00 N ATOM 0 H LYS A 14 10.191 10.833 -5.723 1.00 0.00 H new ATOM 0 HA LYS A 14 7.632 11.919 -4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.029 12.285 -7.183 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.376 11.737 -7.374 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.934 13.605 -5.468 1.00 0.00 H new ATOM 0 HG3 LYS A 14 8.405 14.284 -6.138 1.00 0.00 H new ATOM 0 HD2 LYS A 14 5.891 13.581 -7.727 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.385 15.198 -7.268 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.429 13.571 -8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.024 14.060 -9.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.772 15.711 -9.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.416 16.356 -8.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.777 15.882 -8.100 1.00 0.00 H new ATOM 178 N LEU A 15 6.316 9.900 -5.128 1.00 0.00 N ATOM 179 CA LEU A 15 5.603 8.635 -5.183 1.00 0.00 C ATOM 180 C LEU A 15 4.195 8.872 -5.734 1.00 0.00 C ATOM 181 O LEU A 15 3.404 9.598 -5.134 1.00 0.00 O ATOM 182 CB LEU A 15 5.621 7.950 -3.815 1.00 0.00 C ATOM 183 CG LEU A 15 4.650 6.780 -3.638 1.00 0.00 C ATOM 184 CD1 LEU A 15 4.743 5.809 -4.816 1.00 0.00 C ATOM 185 CD2 LEU A 15 4.876 6.079 -2.297 1.00 0.00 C ATOM 0 H LEU A 15 5.770 10.682 -4.766 1.00 0.00 H new ATOM 0 HA LEU A 15 6.101 7.946 -5.865 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.632 7.589 -3.625 1.00 0.00 H new ATOM 0 HB3 LEU A 15 5.400 8.698 -3.053 1.00 0.00 H new ATOM 0 HG LEU A 15 3.635 7.176 -3.627 1.00 0.00 H new ATOM 0 HD11 LEU A 15 4.043 4.987 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 15 4.495 6.332 -5.739 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.757 5.415 -4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 15 4.174 5.252 -2.196 1.00 0.00 H new ATOM 0 HD22 LEU A 15 5.896 5.697 -2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 15 4.720 6.789 -1.485 1.00 0.00 H new ATOM 197 N HIS A 16 3.926 8.246 -6.870 1.00 0.00 N ATOM 198 CA HIS A 16 2.628 8.380 -7.509 1.00 0.00 C ATOM 199 C HIS A 16 1.683 7.299 -6.981 1.00 0.00 C ATOM 200 O HIS A 16 2.087 6.152 -6.795 1.00 0.00 O ATOM 201 CB HIS A 16 2.766 8.354 -9.032 1.00 0.00 C ATOM 202 CG HIS A 16 1.607 8.985 -9.765 1.00 0.00 C ATOM 203 ND1 HIS A 16 1.068 10.235 -9.672 1.00 0.00 N flip ATOM 204 CD2 HIS A 16 0.866 8.310 -10.720 1.00 0.00 C flip ATOM 205 CE1 HIS A 16 0.054 10.319 -10.525 1.00 0.00 C flip ATOM 206 NE2 HIS A 16 -0.073 9.126 -11.175 1.00 0.00 N flip ATOM 0 H HIS A 16 4.585 7.645 -7.365 1.00 0.00 H new ATOM 0 HA HIS A 16 2.194 9.348 -7.259 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.684 8.871 -9.312 1.00 0.00 H new ATOM 0 HB3 HIS A 16 2.870 7.320 -9.359 1.00 0.00 H new ATOM 0 HD1 HIS A 16 1.389 10.979 -9.052 1.00 0.00 H new ATOM 0 HD2 HIS A 16 1.026 7.291 -11.040 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -0.568 11.188 -10.679 1.00 0.00 H new ATOM 214 N TYR A 17 0.441 7.702 -6.754 1.00 0.00 N ATOM 215 CA TYR A 17 -0.565 6.782 -6.252 1.00 0.00 C ATOM 216 C TYR A 17 -1.975 7.276 -6.585 1.00 0.00 C ATOM 217 O TYR A 17 -2.220 8.480 -6.627 1.00 0.00 O ATOM 218 CB TYR A 17 -0.392 6.757 -4.732 1.00 0.00 C ATOM 219 CG TYR A 17 -0.290 8.145 -4.094 1.00 0.00 C ATOM 220 CD1 TYR A 17 -1.435 8.817 -3.719 1.00 0.00 C ATOM 221 CD2 TYR A 17 0.947 8.723 -3.895 1.00 0.00 C ATOM 222 CE1 TYR A 17 -1.339 10.123 -3.119 1.00 0.00 C ATOM 223 CE2 TYR A 17 1.043 10.029 -3.295 1.00 0.00 C ATOM 224 CZ TYR A 17 -0.105 10.664 -2.937 1.00 0.00 C ATOM 225 OH TYR A 17 -0.014 11.897 -2.370 1.00 0.00 O ATOM 0 H TYR A 17 0.109 8.654 -6.909 1.00 0.00 H new ATOM 0 HA TYR A 17 -0.444 5.797 -6.703 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -1.235 6.226 -4.289 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.506 6.189 -4.488 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -2.403 8.364 -3.875 1.00 0.00 H new ATOM 0 HD2 TYR A 17 1.843 8.196 -4.189 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -2.227 10.660 -2.820 1.00 0.00 H new ATOM 0 HE2 TYR A 17 2.005 10.493 -3.133 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.913 12.230 -2.166 1.00 0.00 H new ATOM 235 N CYS A 18 -2.863 6.320 -6.812 1.00 0.00 N ATOM 236 CA CYS A 18 -4.242 6.642 -7.140 1.00 0.00 C ATOM 237 C CYS A 18 -5.144 6.052 -6.055 1.00 0.00 C ATOM 238 O CYS A 18 -5.270 4.834 -5.942 1.00 0.00 O ATOM 239 CB CYS A 18 -4.623 6.141 -8.535 1.00 0.00 C ATOM 240 SG CYS A 18 -6.378 6.531 -8.881 1.00 0.00 S ATOM 0 H CYS A 18 -2.655 5.322 -6.775 1.00 0.00 H new ATOM 0 HA CYS A 18 -4.369 7.724 -7.167 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -3.984 6.606 -9.285 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.461 5.065 -8.601 1.00 0.00 H new ATOM 0 HG CYS A 18 -6.692 6.104 -10.068 1.00 0.00 H new ATOM 246 N LEU A 19 -5.749 6.944 -5.284 1.00 0.00 N ATOM 247 CA LEU A 19 -6.636 6.527 -4.211 1.00 0.00 C ATOM 248 C LEU A 19 -8.045 6.321 -4.772 1.00 0.00 C ATOM 249 O LEU A 19 -8.612 7.225 -5.383 1.00 0.00 O ATOM 250 CB LEU A 19 -6.575 7.520 -3.049 1.00 0.00 C ATOM 251 CG LEU A 19 -5.178 7.994 -2.644 1.00 0.00 C ATOM 252 CD1 LEU A 19 -4.170 6.845 -2.705 1.00 0.00 C ATOM 253 CD2 LEU A 19 -4.738 9.189 -3.493 1.00 0.00 C ATOM 0 H LEU A 19 -5.642 7.954 -5.381 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.313 5.571 -3.799 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.171 8.394 -3.312 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.047 7.062 -2.180 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.218 8.332 -1.608 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.185 7.209 -2.412 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -4.481 6.052 -2.025 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -4.125 6.454 -3.721 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.742 9.507 -3.185 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.719 8.901 -4.544 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -5.440 10.011 -3.355 1.00 0.00 H new ATOM 265 N ASP A 20 -8.569 5.126 -4.543 1.00 0.00 N ATOM 266 CA ASP A 20 -9.901 4.790 -5.017 1.00 0.00 C ATOM 267 C ASP A 20 -10.516 3.736 -4.094 1.00 0.00 C ATOM 268 O ASP A 20 -10.010 2.618 -3.999 1.00 0.00 O ATOM 269 CB ASP A 20 -9.852 4.209 -6.431 1.00 0.00 C ATOM 270 CG ASP A 20 -11.183 3.666 -6.954 1.00 0.00 C ATOM 271 OD1 ASP A 20 -12.150 4.457 -6.973 1.00 0.00 O ATOM 272 OD2 ASP A 20 -11.203 2.472 -7.323 1.00 0.00 O ATOM 0 H ASP A 20 -8.095 4.379 -4.036 1.00 0.00 H new ATOM 0 HA ASP A 20 -10.497 5.703 -5.022 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.499 4.982 -7.113 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -9.116 3.406 -6.452 1.00 0.00 H new ATOM 277 N TYR A 21 -11.597 4.129 -3.437 1.00 0.00 N ATOM 278 CA TYR A 21 -12.286 3.231 -2.525 1.00 0.00 C ATOM 279 C TYR A 21 -13.539 2.643 -3.177 1.00 0.00 C ATOM 280 O TYR A 21 -14.453 3.377 -3.549 1.00 0.00 O ATOM 281 CB TYR A 21 -12.703 4.087 -1.327 1.00 0.00 C ATOM 282 CG TYR A 21 -13.289 3.284 -0.164 1.00 0.00 C ATOM 283 CD1 TYR A 21 -12.452 2.600 0.694 1.00 0.00 C ATOM 284 CD2 TYR A 21 -14.655 3.245 0.028 1.00 0.00 C ATOM 285 CE1 TYR A 21 -13.004 1.844 1.788 1.00 0.00 C ATOM 286 CE2 TYR A 21 -15.207 2.490 1.123 1.00 0.00 C ATOM 287 CZ TYR A 21 -14.354 1.827 1.949 1.00 0.00 C ATOM 288 OH TYR A 21 -14.876 1.113 2.983 1.00 0.00 O ATOM 0 H TYR A 21 -12.013 5.057 -3.518 1.00 0.00 H new ATOM 0 HA TYR A 21 -11.639 2.401 -2.241 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -11.836 4.643 -0.971 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -13.439 4.821 -1.656 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -11.383 2.632 0.545 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -15.310 3.781 -0.643 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -12.360 1.303 2.465 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -16.274 2.451 1.285 1.00 0.00 H new ATOM 0 HH TYR A 21 -14.358 0.290 3.107 1.00 0.00 H new ATOM 298 N ASP A 22 -13.541 1.323 -3.295 1.00 0.00 N ATOM 299 CA ASP A 22 -14.666 0.627 -3.896 1.00 0.00 C ATOM 300 C ASP A 22 -15.648 0.213 -2.798 1.00 0.00 C ATOM 301 O ASP A 22 -15.585 -0.907 -2.294 1.00 0.00 O ATOM 302 CB ASP A 22 -14.208 -0.639 -4.622 1.00 0.00 C ATOM 303 CG ASP A 22 -15.051 -1.029 -5.837 1.00 0.00 C ATOM 304 OD1 ASP A 22 -16.233 -0.622 -5.862 1.00 0.00 O ATOM 305 OD2 ASP A 22 -14.496 -1.725 -6.714 1.00 0.00 O ATOM 0 H ASP A 22 -12.781 0.717 -2.985 1.00 0.00 H new ATOM 0 HA ASP A 22 -15.137 1.302 -4.611 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -13.176 -0.502 -4.944 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -14.213 -1.468 -3.914 1.00 0.00 H new ATOM 310 N CYS A 23 -16.534 1.139 -2.460 1.00 0.00 N ATOM 311 CA CYS A 23 -17.528 0.884 -1.431 1.00 0.00 C ATOM 312 C CYS A 23 -18.117 -0.508 -1.667 1.00 0.00 C ATOM 313 O CYS A 23 -18.309 -1.273 -0.723 1.00 0.00 O ATOM 314 CB CYS A 23 -18.610 1.966 -1.410 1.00 0.00 C ATOM 315 SG CYS A 23 -19.704 1.785 -2.866 1.00 0.00 S ATOM 0 H CYS A 23 -16.584 2.067 -2.881 1.00 0.00 H new ATOM 0 HA CYS A 23 -17.056 0.916 -0.449 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -19.195 1.889 -0.493 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -18.149 2.954 -1.412 1.00 0.00 H new ATOM 0 HG CYS A 23 -20.620 2.707 -2.838 1.00 0.00 H new ATOM 321 N GLN A 24 -18.387 -0.794 -2.932 1.00 0.00 N ATOM 322 CA GLN A 24 -18.951 -2.081 -3.304 1.00 0.00 C ATOM 323 C GLN A 24 -18.190 -3.214 -2.612 1.00 0.00 C ATOM 324 O GLN A 24 -18.799 -4.117 -2.041 1.00 0.00 O ATOM 325 CB GLN A 24 -18.944 -2.264 -4.823 1.00 0.00 C ATOM 326 CG GLN A 24 -19.434 -0.999 -5.530 1.00 0.00 C ATOM 327 CD GLN A 24 -20.512 -1.331 -6.565 1.00 0.00 C ATOM 328 OE1 GLN A 24 -21.617 -1.734 -6.240 1.00 0.00 O ATOM 329 NE2 GLN A 24 -20.129 -1.141 -7.824 1.00 0.00 N ATOM 0 H GLN A 24 -18.226 -0.157 -3.712 1.00 0.00 H new ATOM 0 HA GLN A 24 -19.989 -2.111 -2.972 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -17.936 -2.505 -5.159 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -19.580 -3.106 -5.094 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -19.833 -0.299 -4.796 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -18.595 -0.504 -6.019 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -19.189 -0.801 -8.025 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -20.776 -1.335 -8.589 1.00 0.00 H new ATOM 338 N LYS A 25 -16.870 -3.128 -2.685 1.00 0.00 N ATOM 339 CA LYS A 25 -16.020 -4.135 -2.073 1.00 0.00 C ATOM 340 C LYS A 25 -15.730 -3.738 -0.624 1.00 0.00 C ATOM 341 O LYS A 25 -15.670 -4.595 0.258 1.00 0.00 O ATOM 342 CB LYS A 25 -14.760 -4.356 -2.913 1.00 0.00 C ATOM 343 CG LYS A 25 -15.051 -4.149 -4.401 1.00 0.00 C ATOM 344 CD LYS A 25 -14.023 -4.881 -5.267 1.00 0.00 C ATOM 345 CE LYS A 25 -14.713 -5.778 -6.296 1.00 0.00 C ATOM 346 NZ LYS A 25 -13.757 -6.765 -6.847 1.00 0.00 N ATOM 0 H LYS A 25 -16.368 -2.377 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 25 -16.530 -5.098 -2.045 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -13.979 -3.667 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -14.382 -5.365 -2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -16.052 -4.512 -4.633 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -15.036 -3.084 -4.634 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -13.390 -4.155 -5.778 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -13.371 -5.483 -4.634 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -15.552 -6.296 -5.831 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -15.121 -5.169 -7.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.242 -7.366 -7.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -12.970 -6.266 -7.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -13.387 -7.358 -6.077 1.00 0.00 H new ATOM 360 N ALA A 26 -15.559 -2.440 -0.422 1.00 0.00 N ATOM 361 CA ALA A 26 -15.278 -1.920 0.906 1.00 0.00 C ATOM 362 C ALA A 26 -13.777 -2.027 1.183 1.00 0.00 C ATOM 363 O ALA A 26 -13.365 -2.199 2.329 1.00 0.00 O ATOM 364 CB ALA A 26 -16.117 -2.675 1.939 1.00 0.00 C ATOM 0 H ALA A 26 -15.610 -1.733 -1.155 1.00 0.00 H new ATOM 0 HA ALA A 26 -15.552 -0.867 0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -15.906 -2.285 2.935 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -17.175 -2.543 1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -15.868 -3.736 1.905 1.00 0.00 H new ATOM 370 N GLU A 27 -13.001 -1.921 0.114 1.00 0.00 N ATOM 371 CA GLU A 27 -11.555 -2.004 0.228 1.00 0.00 C ATOM 372 C GLU A 27 -10.894 -0.878 -0.570 1.00 0.00 C ATOM 373 O GLU A 27 -11.273 -0.616 -1.711 1.00 0.00 O ATOM 374 CB GLU A 27 -11.046 -3.372 -0.231 1.00 0.00 C ATOM 375 CG GLU A 27 -11.980 -4.490 0.239 1.00 0.00 C ATOM 376 CD GLU A 27 -12.743 -5.098 -0.939 1.00 0.00 C ATOM 377 OE1 GLU A 27 -12.262 -4.921 -2.079 1.00 0.00 O ATOM 378 OE2 GLU A 27 -13.791 -5.726 -0.673 1.00 0.00 O ATOM 0 H GLU A 27 -13.347 -1.778 -0.835 1.00 0.00 H new ATOM 0 HA GLU A 27 -11.286 -1.886 1.278 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -10.970 -3.390 -1.318 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -10.043 -3.542 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -11.401 -5.265 0.741 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.686 -4.096 0.970 1.00 0.00 H new ATOM 385 N LEU A 28 -9.919 -0.242 0.062 1.00 0.00 N ATOM 386 CA LEU A 28 -9.202 0.850 -0.575 1.00 0.00 C ATOM 387 C LEU A 28 -8.317 0.291 -1.690 1.00 0.00 C ATOM 388 O LEU A 28 -8.093 -0.916 -1.764 1.00 0.00 O ATOM 389 CB LEU A 28 -8.436 1.668 0.467 1.00 0.00 C ATOM 390 CG LEU A 28 -7.789 2.959 -0.037 1.00 0.00 C ATOM 391 CD1 LEU A 28 -8.849 3.947 -0.530 1.00 0.00 C ATOM 392 CD2 LEU A 28 -6.886 3.575 1.034 1.00 0.00 C ATOM 0 H LEU A 28 -9.608 -0.462 1.008 1.00 0.00 H new ATOM 0 HA LEU A 28 -9.901 1.545 -1.041 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.121 1.920 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.656 1.037 0.894 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.156 2.713 -0.889 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.363 4.856 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.414 3.497 -1.347 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -9.527 4.192 0.288 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.439 4.492 0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.477 3.804 1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.098 2.869 1.296 1.00 0.00 H new ATOM 404 N PHE A 29 -7.837 1.196 -2.531 1.00 0.00 N ATOM 405 CA PHE A 29 -6.981 0.809 -3.639 1.00 0.00 C ATOM 406 C PHE A 29 -5.991 1.924 -3.983 1.00 0.00 C ATOM 407 O PHE A 29 -6.375 3.087 -4.091 1.00 0.00 O ATOM 408 CB PHE A 29 -7.892 0.562 -4.843 1.00 0.00 C ATOM 409 CG PHE A 29 -8.807 -0.655 -4.693 1.00 0.00 C ATOM 410 CD1 PHE A 29 -8.376 -1.882 -5.091 1.00 0.00 C ATOM 411 CD2 PHE A 29 -10.050 -0.510 -4.160 1.00 0.00 C ATOM 412 CE1 PHE A 29 -9.225 -3.012 -4.952 1.00 0.00 C ATOM 413 CE2 PHE A 29 -10.898 -1.640 -4.021 1.00 0.00 C ATOM 414 CZ PHE A 29 -10.468 -2.867 -4.419 1.00 0.00 C ATOM 0 H PHE A 29 -8.025 2.196 -2.467 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.408 -0.079 -3.374 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.506 1.447 -5.008 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.275 0.432 -5.732 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.388 -1.997 -5.513 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -10.392 0.464 -3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.884 -3.986 -5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.885 -1.525 -3.599 1.00 0.00 H new ATOM 0 HZ PHE A 29 -11.113 -3.726 -4.312 1.00 0.00 H new ATOM 424 N VAL A 30 -4.737 1.529 -4.146 1.00 0.00 N ATOM 425 CA VAL A 30 -3.689 2.480 -4.475 1.00 0.00 C ATOM 426 C VAL A 30 -2.956 2.009 -5.733 1.00 0.00 C ATOM 427 O VAL A 30 -2.007 1.232 -5.647 1.00 0.00 O ATOM 428 CB VAL A 30 -2.758 2.670 -3.276 1.00 0.00 C ATOM 429 CG1 VAL A 30 -1.852 3.887 -3.472 1.00 0.00 C ATOM 430 CG2 VAL A 30 -3.556 2.784 -1.975 1.00 0.00 C ATOM 0 H VAL A 30 -4.423 0.563 -4.056 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.117 3.458 -4.695 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.122 1.788 -3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.201 3.999 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.245 3.748 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.464 4.782 -3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.870 2.918 -1.138 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.228 3.640 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.138 1.875 -1.825 1.00 0.00 H new ATOM 440 N THR A 31 -3.424 2.500 -6.871 1.00 0.00 N ATOM 441 CA THR A 31 -2.825 2.139 -8.144 1.00 0.00 C ATOM 442 C THR A 31 -1.997 3.303 -8.693 1.00 0.00 C ATOM 443 O THR A 31 -1.713 4.260 -7.975 1.00 0.00 O ATOM 444 CB THR A 31 -3.946 1.694 -9.085 1.00 0.00 C ATOM 445 OG1 THR A 31 -4.817 2.820 -9.145 1.00 0.00 O ATOM 446 CG2 THR A 31 -4.811 0.585 -8.482 1.00 0.00 C ATOM 0 H THR A 31 -4.211 3.145 -6.938 1.00 0.00 H new ATOM 0 HA THR A 31 -2.127 1.309 -8.031 1.00 0.00 H new ATOM 0 HB THR A 31 -3.515 1.348 -10.024 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.572 2.618 -9.736 1.00 0.00 H new ATOM 0 HG21 THR A 31 -5.591 0.306 -9.190 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.190 -0.284 -8.266 1.00 0.00 H new ATOM 0 HG23 THR A 31 -5.269 0.942 -7.560 1.00 0.00 H new ATOM 454 N ARG A 32 -1.634 3.183 -9.962 1.00 0.00 N ATOM 455 CA ARG A 32 -0.845 4.213 -10.615 1.00 0.00 C ATOM 456 C ARG A 32 0.460 4.447 -9.851 1.00 0.00 C ATOM 457 O ARG A 32 0.881 5.588 -9.669 1.00 0.00 O ATOM 458 CB ARG A 32 -1.620 5.529 -10.701 1.00 0.00 C ATOM 459 CG ARG A 32 -2.967 5.327 -11.398 1.00 0.00 C ATOM 460 CD ARG A 32 -2.778 5.090 -12.898 1.00 0.00 C ATOM 461 NE ARG A 32 -4.024 5.424 -13.624 1.00 0.00 N ATOM 462 CZ ARG A 32 -4.175 5.309 -14.950 1.00 0.00 C ATOM 463 NH1 ARG A 32 -3.159 4.868 -15.704 1.00 0.00 N ATOM 464 NH2 ARG A 32 -5.342 5.635 -15.523 1.00 0.00 N ATOM 0 H ARG A 32 -1.872 2.388 -10.555 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.622 3.869 -11.625 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -1.781 5.927 -9.699 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -1.031 6.267 -11.246 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.486 4.477 -10.955 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -3.597 6.203 -11.241 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -1.956 5.701 -13.270 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -2.510 4.049 -13.079 1.00 0.00 H new ATOM 0 HE ARG A 32 -4.818 5.763 -13.080 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -2.271 4.620 -15.268 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -3.274 4.780 -16.714 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.116 5.971 -14.949 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.456 5.547 -16.533 1.00 0.00 H new ATOM 478 N LEU A 33 1.064 3.347 -9.424 1.00 0.00 N ATOM 479 CA LEU A 33 2.312 3.419 -8.683 1.00 0.00 C ATOM 480 C LEU A 33 3.444 3.807 -9.636 1.00 0.00 C ATOM 481 O LEU A 33 3.724 3.092 -10.597 1.00 0.00 O ATOM 482 CB LEU A 33 2.563 2.111 -7.930 1.00 0.00 C ATOM 483 CG LEU A 33 2.073 2.066 -6.481 1.00 0.00 C ATOM 484 CD1 LEU A 33 2.386 3.376 -5.756 1.00 0.00 C ATOM 485 CD2 LEU A 33 0.585 1.717 -6.417 1.00 0.00 C ATOM 0 H LEU A 33 0.712 2.402 -9.577 1.00 0.00 H new ATOM 0 HA LEU A 33 2.258 4.195 -7.919 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.084 1.301 -8.480 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.634 1.911 -7.937 1.00 0.00 H new ATOM 0 HG LEU A 33 2.612 1.274 -5.962 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.027 3.318 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.463 3.543 -5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 33 1.891 4.202 -6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.262 1.691 -5.376 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.011 2.470 -6.957 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.420 0.740 -6.872 1.00 0.00 H new ATOM 497 N GLU A 34 4.064 4.939 -9.337 1.00 0.00 N ATOM 498 CA GLU A 34 5.159 5.431 -10.156 1.00 0.00 C ATOM 499 C GLU A 34 6.123 6.264 -9.308 1.00 0.00 C ATOM 500 O GLU A 34 6.031 7.490 -9.281 1.00 0.00 O ATOM 501 CB GLU A 34 4.636 6.240 -11.344 1.00 0.00 C ATOM 502 CG GLU A 34 4.339 5.330 -12.538 1.00 0.00 C ATOM 503 CD GLU A 34 2.864 5.412 -12.937 1.00 0.00 C ATOM 504 OE1 GLU A 34 2.051 4.765 -12.242 1.00 0.00 O ATOM 505 OE2 GLU A 34 2.583 6.120 -13.928 1.00 0.00 O ATOM 0 H GLU A 34 3.829 5.530 -8.539 1.00 0.00 H new ATOM 0 HA GLU A 34 5.702 4.574 -10.554 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.731 6.774 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 34 5.372 6.992 -11.629 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.964 5.617 -13.383 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.595 4.300 -12.288 1.00 0.00 H new ATOM 512 N ALA A 35 7.025 5.564 -8.636 1.00 0.00 N ATOM 513 CA ALA A 35 8.005 6.224 -7.789 1.00 0.00 C ATOM 514 C ALA A 35 8.830 7.197 -8.634 1.00 0.00 C ATOM 515 O ALA A 35 8.890 7.067 -9.856 1.00 0.00 O ATOM 516 CB ALA A 35 8.874 5.171 -7.098 1.00 0.00 C ATOM 0 H ALA A 35 7.098 4.547 -8.661 1.00 0.00 H new ATOM 0 HA ALA A 35 7.510 6.802 -7.009 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.609 5.666 -6.463 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.245 4.523 -6.488 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.388 4.573 -7.850 1.00 0.00 H new ATOM 522 N VAL A 36 9.445 8.150 -7.949 1.00 0.00 N ATOM 523 CA VAL A 36 10.264 9.144 -8.622 1.00 0.00 C ATOM 524 C VAL A 36 11.393 9.584 -7.688 1.00 0.00 C ATOM 525 O VAL A 36 11.402 10.718 -7.210 1.00 0.00 O ATOM 526 CB VAL A 36 9.391 10.308 -9.094 1.00 0.00 C ATOM 527 CG1 VAL A 36 10.251 11.494 -9.536 1.00 0.00 C ATOM 528 CG2 VAL A 36 8.447 9.867 -10.214 1.00 0.00 C ATOM 0 H VAL A 36 9.393 8.255 -6.936 1.00 0.00 H new ATOM 0 HA VAL A 36 10.726 8.719 -9.513 1.00 0.00 H new ATOM 0 HB VAL A 36 8.781 10.632 -8.251 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.606 12.308 -9.867 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.862 11.832 -8.699 1.00 0.00 H new ATOM 0 HG13 VAL A 36 10.899 11.188 -10.357 1.00 0.00 H new ATOM 0 HG21 VAL A 36 7.838 10.714 -10.531 1.00 0.00 H new ATOM 0 HG22 VAL A 36 9.031 9.503 -11.060 1.00 0.00 H new ATOM 0 HG23 VAL A 36 7.799 9.070 -9.851 1.00 0.00 H new ATOM 538 N THR A 37 12.319 8.665 -7.456 1.00 0.00 N ATOM 539 CA THR A 37 13.450 8.944 -6.588 1.00 0.00 C ATOM 540 C THR A 37 14.665 8.116 -7.012 1.00 0.00 C ATOM 541 O THR A 37 14.628 6.887 -6.969 1.00 0.00 O ATOM 542 CB THR A 37 13.013 8.686 -5.144 1.00 0.00 C ATOM 543 OG1 THR A 37 14.170 8.995 -4.371 1.00 0.00 O ATOM 544 CG2 THR A 37 12.762 7.203 -4.864 1.00 0.00 C ATOM 0 H THR A 37 12.309 7.726 -7.854 1.00 0.00 H new ATOM 0 HA THR A 37 13.762 9.985 -6.668 1.00 0.00 H new ATOM 0 HB THR A 37 12.107 9.253 -4.932 1.00 0.00 H new ATOM 0 HG1 THR A 37 14.121 8.531 -3.509 1.00 0.00 H new ATOM 0 HG21 THR A 37 12.455 7.076 -3.826 1.00 0.00 H new ATOM 0 HG22 THR A 37 11.975 6.836 -5.523 1.00 0.00 H new ATOM 0 HG23 THR A 37 13.677 6.639 -5.043 1.00 0.00 H new ATOM 552 N SER A 38 15.712 8.822 -7.412 1.00 0.00 N ATOM 553 CA SER A 38 16.935 8.168 -7.844 1.00 0.00 C ATOM 554 C SER A 38 17.781 9.135 -8.674 1.00 0.00 C ATOM 555 O SER A 38 17.323 10.221 -9.027 1.00 0.00 O ATOM 556 CB SER A 38 16.629 6.904 -8.650 1.00 0.00 C ATOM 557 OG SER A 38 17.448 6.800 -9.811 1.00 0.00 O ATOM 0 H SER A 38 15.739 9.841 -7.446 1.00 0.00 H new ATOM 0 HA SER A 38 17.496 7.874 -6.957 1.00 0.00 H new ATOM 0 HB2 SER A 38 16.780 6.027 -8.020 1.00 0.00 H new ATOM 0 HB3 SER A 38 15.580 6.908 -8.946 1.00 0.00 H new ATOM 0 HG SER A 38 17.223 5.979 -10.297 1.00 0.00 H new ATOM 563 N ASN A 39 19.001 8.706 -8.962 1.00 0.00 N ATOM 564 CA ASN A 39 19.915 9.521 -9.745 1.00 0.00 C ATOM 565 C ASN A 39 21.013 8.630 -10.330 1.00 0.00 C ATOM 566 O ASN A 39 21.102 8.465 -11.545 1.00 0.00 O ATOM 567 CB ASN A 39 20.585 10.587 -8.875 1.00 0.00 C ATOM 568 CG ASN A 39 20.104 11.988 -9.258 1.00 0.00 C ATOM 569 OD1 ASN A 39 20.396 12.502 -10.326 1.00 0.00 O ATOM 570 ND2 ASN A 39 19.354 12.575 -8.331 1.00 0.00 N ATOM 0 H ASN A 39 19.378 7.805 -8.667 1.00 0.00 H new ATOM 0 HA ASN A 39 19.342 10.007 -10.534 1.00 0.00 H new ATOM 0 HB2 ASN A 39 20.363 10.397 -7.825 1.00 0.00 H new ATOM 0 HB3 ASN A 39 21.667 10.526 -8.988 1.00 0.00 H new ATOM 0 HD21 ASN A 39 18.985 13.512 -8.492 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.148 12.088 -7.459 1.00 0.00 H new ATOM 577 N HIS A 40 21.821 8.078 -9.436 1.00 0.00 N ATOM 578 CA HIS A 40 22.909 7.207 -9.849 1.00 0.00 C ATOM 579 C HIS A 40 23.297 6.287 -8.690 1.00 0.00 C ATOM 580 O HIS A 40 24.413 6.364 -8.178 1.00 0.00 O ATOM 581 CB HIS A 40 24.089 8.026 -10.377 1.00 0.00 C ATOM 582 CG HIS A 40 24.749 8.896 -9.333 1.00 0.00 C ATOM 583 ND1 HIS A 40 26.085 9.252 -9.390 1.00 0.00 N ATOM 584 CD2 HIS A 40 24.243 9.476 -8.208 1.00 0.00 C ATOM 585 CE1 HIS A 40 26.360 10.013 -8.341 1.00 0.00 C ATOM 586 NE2 HIS A 40 25.217 10.150 -7.609 1.00 0.00 N ATOM 0 H HIS A 40 21.744 8.217 -8.428 1.00 0.00 H new ATOM 0 HA HIS A 40 22.582 6.575 -10.675 1.00 0.00 H new ATOM 0 HB2 HIS A 40 24.833 7.346 -10.792 1.00 0.00 H new ATOM 0 HB3 HIS A 40 23.743 8.657 -11.195 1.00 0.00 H new ATOM 0 HD2 HIS A 40 23.223 9.400 -7.863 1.00 0.00 H new ATOM 0 HE1 HIS A 40 27.320 10.448 -8.107 1.00 0.00 H new ATOM 0 HE2 HIS A 40 25.126 10.683 -6.744 1.00 0.00 H new ATOM 594 N ASP A 41 22.354 5.437 -8.310 1.00 0.00 N ATOM 595 CA ASP A 41 22.583 4.502 -7.222 1.00 0.00 C ATOM 596 C ASP A 41 21.284 3.756 -6.914 1.00 0.00 C ATOM 597 O ASP A 41 20.272 4.373 -6.584 1.00 0.00 O ATOM 598 CB ASP A 41 23.021 5.234 -5.951 1.00 0.00 C ATOM 599 CG ASP A 41 24.492 5.050 -5.573 1.00 0.00 C ATOM 600 OD1 ASP A 41 24.969 3.901 -5.691 1.00 0.00 O ATOM 601 OD2 ASP A 41 25.106 6.063 -5.175 1.00 0.00 O ATOM 0 H ASP A 41 21.429 5.377 -8.737 1.00 0.00 H new ATOM 0 HA ASP A 41 23.368 3.811 -7.530 1.00 0.00 H new ATOM 0 HB2 ASP A 41 22.824 6.299 -6.077 1.00 0.00 H new ATOM 0 HB3 ASP A 41 22.403 4.892 -5.121 1.00 0.00 H new ATOM 606 N GLY A 42 21.353 2.438 -7.033 1.00 0.00 N ATOM 607 CA GLY A 42 20.194 1.601 -6.771 1.00 0.00 C ATOM 608 C GLY A 42 20.468 0.148 -7.165 1.00 0.00 C ATOM 609 O GLY A 42 20.028 -0.307 -8.220 1.00 0.00 O ATOM 0 H GLY A 42 22.193 1.929 -7.307 1.00 0.00 H new ATOM 0 HA2 GLY A 42 19.935 1.652 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 42 19.336 1.977 -7.328 1.00 0.00 H new ATOM 613 N GLY A 43 21.193 -0.540 -6.295 1.00 0.00 N ATOM 614 CA GLY A 43 21.530 -1.933 -6.539 1.00 0.00 C ATOM 615 C GLY A 43 20.697 -2.861 -5.654 1.00 0.00 C ATOM 616 O GLY A 43 21.245 -3.651 -4.886 1.00 0.00 O ATOM 0 H GLY A 43 21.556 -0.160 -5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 43 21.358 -2.174 -7.588 1.00 0.00 H new ATOM 0 HA3 GLY A 43 22.590 -2.094 -6.344 1.00 0.00 H new ATOM 620 N CYS A 44 19.385 -2.737 -5.791 1.00 0.00 N ATOM 621 CA CYS A 44 18.470 -3.555 -5.014 1.00 0.00 C ATOM 622 C CYS A 44 17.056 -3.348 -5.562 1.00 0.00 C ATOM 623 O CYS A 44 16.820 -2.434 -6.349 1.00 0.00 O ATOM 624 CB CYS A 44 18.555 -3.236 -3.520 1.00 0.00 C ATOM 625 SG CYS A 44 18.707 -4.785 -2.557 1.00 0.00 S ATOM 0 H CYS A 44 18.934 -2.082 -6.429 1.00 0.00 H new ATOM 0 HA CYS A 44 18.746 -4.605 -5.111 1.00 0.00 H new ATOM 0 HB2 CYS A 44 19.412 -2.592 -3.326 1.00 0.00 H new ATOM 0 HB3 CYS A 44 17.667 -2.688 -3.206 1.00 0.00 H new ATOM 0 HG CYS A 44 17.966 -4.708 -1.491 1.00 0.00 H new ATOM 631 N ASP A 45 16.154 -4.214 -5.123 1.00 0.00 N ATOM 632 CA ASP A 45 14.770 -4.137 -5.560 1.00 0.00 C ATOM 633 C ASP A 45 13.957 -3.351 -4.529 1.00 0.00 C ATOM 634 O ASP A 45 14.024 -3.634 -3.334 1.00 0.00 O ATOM 635 CB ASP A 45 14.154 -5.532 -5.684 1.00 0.00 C ATOM 636 CG ASP A 45 14.545 -6.302 -6.947 1.00 0.00 C ATOM 637 OD1 ASP A 45 14.835 -5.625 -7.957 1.00 0.00 O ATOM 638 OD2 ASP A 45 14.544 -7.550 -6.874 1.00 0.00 O ATOM 0 H ASP A 45 16.354 -4.972 -4.470 1.00 0.00 H new ATOM 0 HA ASP A 45 14.750 -3.646 -6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 45 14.445 -6.120 -4.814 1.00 0.00 H new ATOM 0 HB3 ASP A 45 13.068 -5.437 -5.656 1.00 0.00 H new ATOM 643 N CYS A 46 13.208 -2.380 -5.030 1.00 0.00 N ATOM 644 CA CYS A 46 12.383 -1.551 -4.167 1.00 0.00 C ATOM 645 C CYS A 46 10.917 -1.779 -4.541 1.00 0.00 C ATOM 646 O CYS A 46 10.612 -2.152 -5.673 1.00 0.00 O ATOM 647 CB CYS A 46 12.773 -0.075 -4.261 1.00 0.00 C ATOM 648 SG CYS A 46 12.322 0.589 -5.906 1.00 0.00 S ATOM 0 H CYS A 46 13.155 -2.149 -6.022 1.00 0.00 H new ATOM 0 HA CYS A 46 12.540 -1.835 -3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.268 0.493 -3.480 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.844 0.038 -4.096 1.00 0.00 H new ATOM 0 HG CYS A 46 12.457 1.882 -5.904 1.00 0.00 H new ATOM 654 N TYR A 47 10.048 -1.546 -3.568 1.00 0.00 N ATOM 655 CA TYR A 47 8.622 -1.722 -3.780 1.00 0.00 C ATOM 656 C TYR A 47 7.816 -0.732 -2.937 1.00 0.00 C ATOM 657 O TYR A 47 8.336 -0.157 -1.982 1.00 0.00 O ATOM 658 CB TYR A 47 8.299 -3.145 -3.321 1.00 0.00 C ATOM 659 CG TYR A 47 8.814 -3.479 -1.920 1.00 0.00 C ATOM 660 CD1 TYR A 47 8.073 -3.127 -0.810 1.00 0.00 C ATOM 661 CD2 TYR A 47 10.020 -4.132 -1.765 1.00 0.00 C ATOM 662 CE1 TYR A 47 8.558 -3.441 0.509 1.00 0.00 C ATOM 663 CE2 TYR A 47 10.505 -4.447 -0.446 1.00 0.00 C ATOM 664 CZ TYR A 47 9.749 -4.085 0.626 1.00 0.00 C ATOM 665 OH TYR A 47 10.207 -4.382 1.871 1.00 0.00 O ATOM 0 H TYR A 47 10.305 -1.237 -2.631 1.00 0.00 H new ATOM 0 HA TYR A 47 8.366 -1.552 -4.826 1.00 0.00 H new ATOM 0 HB2 TYR A 47 7.218 -3.286 -3.343 1.00 0.00 H new ATOM 0 HB3 TYR A 47 8.727 -3.851 -4.032 1.00 0.00 H new ATOM 0 HD1 TYR A 47 7.129 -2.616 -0.931 1.00 0.00 H new ATOM 0 HD2 TYR A 47 10.600 -4.407 -2.633 1.00 0.00 H new ATOM 0 HE1 TYR A 47 7.988 -3.171 1.386 1.00 0.00 H new ATOM 0 HE2 TYR A 47 11.447 -4.958 -0.311 1.00 0.00 H new ATOM 0 HH TYR A 47 11.069 -4.843 1.801 1.00 0.00 H new ATOM 675 N VAL A 48 6.559 -0.563 -3.320 1.00 0.00 N ATOM 676 CA VAL A 48 5.676 0.348 -2.611 1.00 0.00 C ATOM 677 C VAL A 48 4.951 -0.414 -1.500 1.00 0.00 C ATOM 678 O VAL A 48 4.692 -1.610 -1.629 1.00 0.00 O ATOM 679 CB VAL A 48 4.719 1.022 -3.596 1.00 0.00 C ATOM 680 CG1 VAL A 48 4.065 2.255 -2.968 1.00 0.00 C ATOM 681 CG2 VAL A 48 5.438 1.386 -4.897 1.00 0.00 C ATOM 0 H VAL A 48 6.131 -1.042 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 48 6.249 1.146 -2.138 1.00 0.00 H new ATOM 0 HB VAL A 48 3.930 0.310 -3.837 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.390 2.716 -3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.503 1.958 -2.083 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.836 2.971 -2.684 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.735 1.864 -5.580 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.257 2.072 -4.681 1.00 0.00 H new ATOM 0 HG23 VAL A 48 5.835 0.482 -5.359 1.00 0.00 H new ATOM 691 N GLN A 49 4.643 0.310 -0.433 1.00 0.00 N ATOM 692 CA GLN A 49 3.953 -0.283 0.699 1.00 0.00 C ATOM 693 C GLN A 49 2.825 0.636 1.174 1.00 0.00 C ATOM 694 O GLN A 49 3.010 1.847 1.280 1.00 0.00 O ATOM 695 CB GLN A 49 4.928 -0.586 1.838 1.00 0.00 C ATOM 696 CG GLN A 49 4.240 -1.376 2.954 1.00 0.00 C ATOM 697 CD GLN A 49 4.509 -0.742 4.320 1.00 0.00 C ATOM 698 OE1 GLN A 49 5.361 0.116 4.479 1.00 0.00 O ATOM 699 NE2 GLN A 49 3.735 -1.211 5.295 1.00 0.00 N ATOM 0 H GLN A 49 4.859 1.301 -0.329 1.00 0.00 H new ATOM 0 HA GLN A 49 3.515 -1.228 0.378 1.00 0.00 H new ATOM 0 HB2 GLN A 49 5.775 -1.154 1.454 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.325 0.346 2.239 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.166 -1.411 2.771 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.598 -2.405 2.950 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.040 -1.930 5.093 1.00 0.00 H new ATOM 0 HE22 GLN A 49 3.836 -0.851 6.244 1.00 0.00 H new ATOM 708 N GLY A 50 1.682 0.024 1.446 1.00 0.00 N ATOM 709 CA GLY A 50 0.524 0.772 1.906 1.00 0.00 C ATOM 710 C GLY A 50 0.061 0.276 3.278 1.00 0.00 C ATOM 711 O GLY A 50 0.172 -0.910 3.583 1.00 0.00 O ATOM 0 H GLY A 50 1.533 -0.981 1.357 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.770 1.832 1.963 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.288 0.672 1.186 1.00 0.00 H new ATOM 715 N SER A 51 -0.450 1.209 4.068 1.00 0.00 N ATOM 716 CA SER A 51 -0.931 0.882 5.399 1.00 0.00 C ATOM 717 C SER A 51 -2.192 1.689 5.713 1.00 0.00 C ATOM 718 O SER A 51 -2.256 2.883 5.426 1.00 0.00 O ATOM 719 CB SER A 51 0.146 1.147 6.454 1.00 0.00 C ATOM 720 OG SER A 51 0.915 2.308 6.152 1.00 0.00 O ATOM 0 H SER A 51 -0.541 2.192 3.811 1.00 0.00 H new ATOM 0 HA SER A 51 -1.172 -0.181 5.424 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.324 1.267 7.430 1.00 0.00 H new ATOM 0 HB3 SER A 51 0.806 0.283 6.523 1.00 0.00 H new ATOM 0 HG SER A 51 0.434 2.858 5.499 1.00 0.00 H new ATOM 726 N VAL A 52 -3.163 1.005 6.299 1.00 0.00 N ATOM 727 CA VAL A 52 -4.419 1.643 6.655 1.00 0.00 C ATOM 728 C VAL A 52 -4.759 1.314 8.110 1.00 0.00 C ATOM 729 O VAL A 52 -4.655 0.163 8.530 1.00 0.00 O ATOM 730 CB VAL A 52 -5.516 1.223 5.675 1.00 0.00 C ATOM 731 CG1 VAL A 52 -6.836 0.969 6.406 1.00 0.00 C ATOM 732 CG2 VAL A 52 -5.693 2.265 4.570 1.00 0.00 C ATOM 0 H VAL A 52 -3.106 0.015 6.536 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.332 2.727 6.579 1.00 0.00 H new ATOM 0 HB VAL A 52 -5.207 0.288 5.207 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.599 0.672 5.687 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.699 0.174 7.139 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -7.152 1.880 6.914 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.479 1.942 3.887 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.969 3.222 5.013 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.758 2.375 4.021 1.00 0.00 H new ATOM 742 N ALA A 53 -5.158 2.346 8.839 1.00 0.00 N ATOM 743 CA ALA A 53 -5.513 2.181 10.238 1.00 0.00 C ATOM 744 C ALA A 53 -6.997 2.504 10.424 1.00 0.00 C ATOM 745 O ALA A 53 -7.421 3.638 10.208 1.00 0.00 O ATOM 746 CB ALA A 53 -4.611 3.064 11.102 1.00 0.00 C ATOM 0 H ALA A 53 -5.243 3.299 8.487 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.358 1.150 10.554 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.878 2.940 12.152 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.570 2.775 10.955 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -4.741 4.108 10.816 1.00 0.00 H new ATOM 752 N ASN A 54 -7.746 1.486 10.823 1.00 0.00 N ATOM 753 CA ASN A 54 -9.174 1.648 11.041 1.00 0.00 C ATOM 754 C ASN A 54 -9.484 1.457 12.527 1.00 0.00 C ATOM 755 O ASN A 54 -8.609 1.073 13.302 1.00 0.00 O ATOM 756 CB ASN A 54 -9.972 0.607 10.254 1.00 0.00 C ATOM 757 CG ASN A 54 -9.090 -0.581 9.865 1.00 0.00 C ATOM 758 OD1 ASN A 54 -8.304 -1.087 10.649 1.00 0.00 O ATOM 759 ND2 ASN A 54 -9.264 -0.997 8.614 1.00 0.00 N ATOM 0 H ASN A 54 -7.391 0.546 11.001 1.00 0.00 H new ATOM 0 HA ASN A 54 -9.455 2.647 10.707 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -10.813 0.259 10.854 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -10.388 1.065 9.357 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -8.722 -1.785 8.259 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -9.939 -0.528 8.010 1.00 0.00 H new ATOM 766 N ARG A 55 -10.731 1.734 12.879 1.00 0.00 N ATOM 767 CA ARG A 55 -11.167 1.597 14.258 1.00 0.00 C ATOM 768 C ARG A 55 -11.248 0.119 14.645 1.00 0.00 C ATOM 769 O ARG A 55 -11.515 -0.210 15.800 1.00 0.00 O ATOM 770 CB ARG A 55 -12.534 2.249 14.471 1.00 0.00 C ATOM 771 CG ARG A 55 -12.389 3.628 15.119 1.00 0.00 C ATOM 772 CD ARG A 55 -13.721 4.381 15.108 1.00 0.00 C ATOM 773 NE ARG A 55 -13.531 5.752 15.633 1.00 0.00 N ATOM 774 CZ ARG A 55 -13.433 6.050 16.936 1.00 0.00 C ATOM 775 NH1 ARG A 55 -13.507 5.077 17.853 1.00 0.00 N ATOM 776 NH2 ARG A 55 -13.262 7.322 17.321 1.00 0.00 N ATOM 0 H ARG A 55 -11.453 2.053 12.233 1.00 0.00 H new ATOM 0 HA ARG A 55 -10.435 2.101 14.889 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -13.048 2.345 13.515 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.151 1.610 15.102 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.038 3.517 16.145 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -11.635 4.207 14.586 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -14.116 4.423 14.093 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -14.454 3.849 15.714 1.00 0.00 H new ATOM 0 HE ARG A 55 -13.471 6.517 14.961 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -13.638 4.109 17.560 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -13.432 5.304 18.845 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.206 8.063 16.622 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.187 7.549 18.313 1.00 0.00 H new ATOM 790 N THR A 56 -11.014 -0.732 13.657 1.00 0.00 N ATOM 791 CA THR A 56 -11.058 -2.167 13.880 1.00 0.00 C ATOM 792 C THR A 56 -9.641 -2.729 14.018 1.00 0.00 C ATOM 793 O THR A 56 -9.441 -3.770 14.641 1.00 0.00 O ATOM 794 CB THR A 56 -11.853 -2.799 12.736 1.00 0.00 C ATOM 795 OG1 THR A 56 -11.018 -2.626 11.595 1.00 0.00 O ATOM 796 CG2 THR A 56 -13.118 -2.008 12.395 1.00 0.00 C ATOM 0 H THR A 56 -10.793 -0.455 12.700 1.00 0.00 H new ATOM 0 HA THR A 56 -11.562 -2.406 14.816 1.00 0.00 H new ATOM 0 HB THR A 56 -12.124 -3.820 13.004 1.00 0.00 H new ATOM 0 HG1 THR A 56 -11.457 -3.009 10.807 1.00 0.00 H new ATOM 0 HG21 THR A 56 -13.645 -2.499 11.577 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.767 -1.964 13.270 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.845 -0.996 12.095 1.00 0.00 H new ATOM 804 N GLY A 57 -8.695 -2.014 13.427 1.00 0.00 N ATOM 805 CA GLY A 57 -7.304 -2.429 13.476 1.00 0.00 C ATOM 806 C GLY A 57 -6.468 -1.667 12.444 1.00 0.00 C ATOM 807 O GLY A 57 -6.401 -0.440 12.479 1.00 0.00 O ATOM 0 H GLY A 57 -8.865 -1.150 12.912 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -6.903 -2.254 14.475 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -7.233 -3.500 13.287 1.00 0.00 H new ATOM 811 N SER A 58 -5.853 -2.428 11.551 1.00 0.00 N ATOM 812 CA SER A 58 -5.025 -1.840 10.511 1.00 0.00 C ATOM 813 C SER A 58 -4.673 -2.897 9.462 1.00 0.00 C ATOM 814 O SER A 58 -4.494 -4.069 9.792 1.00 0.00 O ATOM 815 CB SER A 58 -3.750 -1.233 11.100 1.00 0.00 C ATOM 816 OG SER A 58 -3.285 -1.962 12.233 1.00 0.00 O ATOM 0 H SER A 58 -5.911 -3.446 11.526 1.00 0.00 H new ATOM 0 HA SER A 58 -5.591 -1.039 10.035 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.972 -1.214 10.337 1.00 0.00 H new ATOM 0 HB3 SER A 58 -3.940 -0.199 11.387 1.00 0.00 H new ATOM 0 HG SER A 58 -2.469 -1.544 12.579 1.00 0.00 H new ATOM 822 N VAL A 59 -4.585 -2.446 8.220 1.00 0.00 N ATOM 823 CA VAL A 59 -4.258 -3.338 7.121 1.00 0.00 C ATOM 824 C VAL A 59 -3.042 -2.791 6.371 1.00 0.00 C ATOM 825 O VAL A 59 -2.810 -1.584 6.353 1.00 0.00 O ATOM 826 CB VAL A 59 -5.481 -3.528 6.220 1.00 0.00 C ATOM 827 CG1 VAL A 59 -6.328 -4.713 6.688 1.00 0.00 C ATOM 828 CG2 VAL A 59 -6.316 -2.248 6.153 1.00 0.00 C ATOM 0 H VAL A 59 -4.735 -1.474 7.950 1.00 0.00 H new ATOM 0 HA VAL A 59 -3.991 -4.326 7.497 1.00 0.00 H new ATOM 0 HB VAL A 59 -5.125 -3.748 5.214 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -7.190 -4.826 6.031 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -5.728 -5.623 6.659 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -6.670 -4.536 7.708 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -7.179 -2.410 5.507 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.657 -1.983 7.154 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.708 -1.438 5.751 1.00 0.00 H new ATOM 838 N GLU A 60 -2.297 -3.707 5.769 1.00 0.00 N ATOM 839 CA GLU A 60 -1.111 -3.333 5.019 1.00 0.00 C ATOM 840 C GLU A 60 -1.063 -4.086 3.689 1.00 0.00 C ATOM 841 O GLU A 60 -1.716 -5.117 3.531 1.00 0.00 O ATOM 842 CB GLU A 60 0.157 -3.585 5.837 1.00 0.00 C ATOM 843 CG GLU A 60 0.239 -2.630 7.030 1.00 0.00 C ATOM 844 CD GLU A 60 1.538 -2.838 7.812 1.00 0.00 C ATOM 845 OE1 GLU A 60 1.594 -3.835 8.563 1.00 0.00 O ATOM 846 OE2 GLU A 60 2.445 -1.996 7.640 1.00 0.00 O ATOM 0 H GLU A 60 -2.493 -4.708 5.786 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.162 -2.265 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 60 0.167 -4.616 6.191 1.00 0.00 H new ATOM 0 HB3 GLU A 60 1.034 -3.457 5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 60 0.183 -1.599 6.680 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -0.615 -2.790 7.688 1.00 0.00 H new ATOM 853 N ALA A 61 -0.284 -3.543 2.765 1.00 0.00 N ATOM 854 CA ALA A 61 -0.143 -4.152 1.453 1.00 0.00 C ATOM 855 C ALA A 61 1.071 -3.549 0.743 1.00 0.00 C ATOM 856 O ALA A 61 1.577 -2.505 1.151 1.00 0.00 O ATOM 857 CB ALA A 61 -1.437 -3.960 0.659 1.00 0.00 C ATOM 0 H ALA A 61 0.256 -2.688 2.899 1.00 0.00 H new ATOM 0 HA ALA A 61 0.028 -5.225 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -1.331 -4.417 -0.325 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -2.264 -4.431 1.191 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -1.639 -2.895 0.545 1.00 0.00 H new ATOM 863 N GLN A 62 1.503 -4.233 -0.306 1.00 0.00 N ATOM 864 CA GLN A 62 2.648 -3.778 -1.076 1.00 0.00 C ATOM 865 C GLN A 62 2.550 -4.276 -2.519 1.00 0.00 C ATOM 866 O GLN A 62 1.682 -5.086 -2.842 1.00 0.00 O ATOM 867 CB GLN A 62 3.959 -4.229 -0.428 1.00 0.00 C ATOM 868 CG GLN A 62 3.904 -5.713 -0.058 1.00 0.00 C ATOM 869 CD GLN A 62 4.289 -6.590 -1.251 1.00 0.00 C ATOM 870 OE1 GLN A 62 3.450 -7.103 -1.974 1.00 0.00 O ATOM 871 NE2 GLN A 62 5.601 -6.733 -1.417 1.00 0.00 N ATOM 0 H GLN A 62 1.081 -5.099 -0.641 1.00 0.00 H new ATOM 0 HA GLN A 62 2.643 -2.688 -1.088 1.00 0.00 H new ATOM 0 HB2 GLN A 62 4.788 -4.052 -1.113 1.00 0.00 H new ATOM 0 HB3 GLN A 62 4.151 -3.634 0.465 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.579 -5.909 0.775 1.00 0.00 H new ATOM 0 HG3 GLN A 62 2.900 -5.971 0.278 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.249 -6.276 -0.775 1.00 0.00 H new ATOM 0 HE22 GLN A 62 5.959 -7.300 -2.186 1.00 0.00 H new ATOM 880 N THR A 63 3.451 -3.772 -3.348 1.00 0.00 N ATOM 881 CA THR A 63 3.477 -4.155 -4.750 1.00 0.00 C ATOM 882 C THR A 63 4.581 -5.184 -5.001 1.00 0.00 C ATOM 883 O THR A 63 5.336 -5.524 -4.091 1.00 0.00 O ATOM 884 CB THR A 63 3.630 -2.883 -5.586 1.00 0.00 C ATOM 885 OG1 THR A 63 4.805 -2.266 -5.067 1.00 0.00 O ATOM 886 CG2 THR A 63 2.521 -1.865 -5.310 1.00 0.00 C ATOM 0 H THR A 63 4.169 -3.101 -3.076 1.00 0.00 H new ATOM 0 HA THR A 63 2.548 -4.643 -5.044 1.00 0.00 H new ATOM 0 HB THR A 63 3.630 -3.142 -6.645 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.489 -2.223 -5.768 1.00 0.00 H new ATOM 0 HG21 THR A 63 2.676 -0.981 -5.929 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.553 -2.308 -5.546 1.00 0.00 H new ATOM 0 HG23 THR A 63 2.542 -1.580 -4.258 1.00 0.00 H new ATOM 894 N ALA A 64 4.641 -5.650 -6.239 1.00 0.00 N ATOM 895 CA ALA A 64 5.641 -6.633 -6.622 1.00 0.00 C ATOM 896 C ALA A 64 7.004 -5.949 -6.737 1.00 0.00 C ATOM 897 O ALA A 64 7.106 -4.844 -7.268 1.00 0.00 O ATOM 898 CB ALA A 64 5.217 -7.311 -7.926 1.00 0.00 C ATOM 0 H ALA A 64 4.013 -5.365 -6.991 1.00 0.00 H new ATOM 0 HA ALA A 64 5.725 -7.411 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.967 -8.048 -8.213 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.257 -7.807 -7.783 1.00 0.00 H new ATOM 0 HB3 ALA A 64 5.125 -6.562 -8.712 1.00 0.00 H new ATOM 904 N LEU A 65 8.019 -6.634 -6.230 1.00 0.00 N ATOM 905 CA LEU A 65 9.372 -6.106 -6.269 1.00 0.00 C ATOM 906 C LEU A 65 9.697 -5.652 -7.694 1.00 0.00 C ATOM 907 O LEU A 65 9.075 -6.108 -8.652 1.00 0.00 O ATOM 908 CB LEU A 65 10.363 -7.129 -5.709 1.00 0.00 C ATOM 909 CG LEU A 65 10.569 -7.102 -4.193 1.00 0.00 C ATOM 910 CD1 LEU A 65 11.728 -6.179 -3.814 1.00 0.00 C ATOM 911 CD2 LEU A 65 9.275 -6.724 -3.470 1.00 0.00 C ATOM 0 H LEU A 65 7.931 -7.550 -5.790 1.00 0.00 H new ATOM 0 HA LEU A 65 9.457 -5.229 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.025 -8.126 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 65 11.328 -6.971 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 65 10.838 -8.107 -3.867 1.00 0.00 H new ATOM 0 HD11 LEU A 65 11.853 -6.178 -2.731 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.645 -6.534 -4.285 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.513 -5.166 -4.155 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.449 -6.712 -2.394 1.00 0.00 H new ATOM 0 HD22 LEU A 65 8.952 -5.735 -3.796 1.00 0.00 H new ATOM 0 HD23 LEU A 65 8.501 -7.455 -3.704 1.00 0.00 H new ATOM 923 N LYS A 66 10.671 -4.758 -7.788 1.00 0.00 N ATOM 924 CA LYS A 66 11.085 -4.237 -9.079 1.00 0.00 C ATOM 925 C LYS A 66 12.526 -3.731 -8.981 1.00 0.00 C ATOM 926 O LYS A 66 13.164 -3.861 -7.938 1.00 0.00 O ATOM 927 CB LYS A 66 10.095 -3.182 -9.575 1.00 0.00 C ATOM 928 CG LYS A 66 8.939 -3.830 -10.339 1.00 0.00 C ATOM 929 CD LYS A 66 8.748 -3.172 -11.707 1.00 0.00 C ATOM 930 CE LYS A 66 7.411 -3.578 -12.329 1.00 0.00 C ATOM 931 NZ LYS A 66 7.198 -2.868 -13.610 1.00 0.00 N ATOM 0 H LYS A 66 11.185 -4.382 -6.991 1.00 0.00 H new ATOM 0 HA LYS A 66 11.074 -5.027 -9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.705 -2.618 -8.728 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.609 -2.471 -10.222 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.135 -4.894 -10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 66 8.021 -3.743 -9.758 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.790 -2.088 -11.602 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.564 -3.460 -12.370 1.00 0.00 H new ATOM 0 HE2 LYS A 66 7.393 -4.655 -12.496 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.598 -3.349 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.397 -3.297 -14.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 6.992 -1.866 -13.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 8.055 -2.941 -14.194 1.00 0.00 H new ATOM 945 N LYS A 67 12.996 -3.163 -10.082 1.00 0.00 N ATOM 946 CA LYS A 67 14.349 -2.636 -10.134 1.00 0.00 C ATOM 947 C LYS A 67 14.313 -1.125 -9.893 1.00 0.00 C ATOM 948 O LYS A 67 13.569 -0.405 -10.557 1.00 0.00 O ATOM 949 CB LYS A 67 15.030 -3.034 -11.445 1.00 0.00 C ATOM 950 CG LYS A 67 16.185 -2.086 -11.772 1.00 0.00 C ATOM 951 CD LYS A 67 17.413 -2.863 -12.250 1.00 0.00 C ATOM 952 CE LYS A 67 17.089 -3.688 -13.497 1.00 0.00 C ATOM 953 NZ LYS A 67 18.095 -3.445 -14.555 1.00 0.00 N ATOM 0 H LYS A 67 12.463 -3.056 -10.945 1.00 0.00 H new ATOM 0 HA LYS A 67 14.958 -3.071 -9.341 1.00 0.00 H new ATOM 0 HB2 LYS A 67 15.403 -4.055 -11.370 1.00 0.00 H new ATOM 0 HB3 LYS A 67 14.302 -3.020 -12.256 1.00 0.00 H new ATOM 0 HG2 LYS A 67 15.874 -1.380 -12.542 1.00 0.00 H new ATOM 0 HG3 LYS A 67 16.441 -1.501 -10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 67 18.224 -2.169 -12.470 1.00 0.00 H new ATOM 0 HD3 LYS A 67 17.763 -3.521 -11.455 1.00 0.00 H new ATOM 0 HE2 LYS A 67 17.068 -4.748 -13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 67 16.096 -3.428 -13.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 17.860 -4.013 -15.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 18.096 -2.436 -14.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 19.037 -3.715 -14.207 1.00 0.00 H new ATOM 967 N ARG A 68 15.126 -0.690 -8.941 1.00 0.00 N ATOM 968 CA ARG A 68 15.196 0.722 -8.605 1.00 0.00 C ATOM 969 C ARG A 68 15.509 1.550 -9.853 1.00 0.00 C ATOM 970 O ARG A 68 16.449 1.244 -10.585 1.00 0.00 O ATOM 971 CB ARG A 68 16.269 0.983 -7.546 1.00 0.00 C ATOM 972 CG ARG A 68 15.795 2.024 -6.530 1.00 0.00 C ATOM 973 CD ARG A 68 16.690 2.026 -5.289 1.00 0.00 C ATOM 974 NE ARG A 68 15.883 2.322 -4.084 1.00 0.00 N ATOM 975 CZ ARG A 68 15.593 3.559 -3.659 1.00 0.00 C ATOM 976 NH1 ARG A 68 16.041 4.623 -4.339 1.00 0.00 N ATOM 977 NH2 ARG A 68 14.854 3.732 -2.555 1.00 0.00 N ATOM 0 H ARG A 68 15.741 -1.290 -8.392 1.00 0.00 H new ATOM 0 HA ARG A 68 14.226 1.016 -8.204 1.00 0.00 H new ATOM 0 HB2 ARG A 68 16.512 0.053 -7.032 1.00 0.00 H new ATOM 0 HB3 ARG A 68 17.183 1.330 -8.027 1.00 0.00 H new ATOM 0 HG2 ARG A 68 15.800 3.013 -6.988 1.00 0.00 H new ATOM 0 HG3 ARG A 68 14.766 1.812 -6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 68 17.178 1.057 -5.181 1.00 0.00 H new ATOM 0 HD3 ARG A 68 17.479 2.770 -5.400 1.00 0.00 H new ATOM 0 HE ARG A 68 15.525 1.535 -3.543 1.00 0.00 H new ATOM 0 HH11 ARG A 68 16.603 4.491 -5.180 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.820 5.565 -4.016 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.512 2.922 -2.038 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.633 4.674 -2.231 1.00 0.00 H new ATOM 991 N GLN A 69 14.703 2.581 -10.057 1.00 0.00 N ATOM 992 CA GLN A 69 14.883 3.456 -11.204 1.00 0.00 C ATOM 993 C GLN A 69 14.497 4.891 -10.842 1.00 0.00 C ATOM 994 O GLN A 69 14.071 5.160 -9.720 1.00 0.00 O ATOM 995 CB GLN A 69 14.076 2.957 -12.404 1.00 0.00 C ATOM 996 CG GLN A 69 14.740 1.735 -13.041 1.00 0.00 C ATOM 997 CD GLN A 69 16.068 2.113 -13.701 1.00 0.00 C ATOM 998 OE1 GLN A 69 16.242 3.201 -14.225 1.00 0.00 O ATOM 999 NE2 GLN A 69 16.991 1.157 -13.645 1.00 0.00 N ATOM 0 H GLN A 69 13.924 2.831 -9.448 1.00 0.00 H new ATOM 0 HA GLN A 69 15.936 3.444 -11.485 1.00 0.00 H new ATOM 0 HB2 GLN A 69 13.065 2.702 -12.086 1.00 0.00 H new ATOM 0 HB3 GLN A 69 13.986 3.753 -13.143 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.912 0.973 -12.281 1.00 0.00 H new ATOM 0 HG3 GLN A 69 14.072 1.300 -13.784 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.778 0.269 -13.191 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.911 1.312 -14.056 1.00 0.00 H new ATOM 1008 N LEU A 70 14.660 5.777 -11.814 1.00 0.00 N ATOM 1009 CA LEU A 70 14.334 7.178 -11.612 1.00 0.00 C ATOM 1010 C LEU A 70 12.833 7.384 -11.823 1.00 0.00 C ATOM 1011 O LEU A 70 12.321 8.486 -11.633 1.00 0.00 O ATOM 1012 CB LEU A 70 15.208 8.065 -12.502 1.00 0.00 C ATOM 1013 CG LEU A 70 16.286 8.879 -11.785 1.00 0.00 C ATOM 1014 CD1 LEU A 70 17.663 8.634 -12.407 1.00 0.00 C ATOM 1015 CD2 LEU A 70 15.926 10.366 -11.760 1.00 0.00 C ATOM 0 H LEU A 70 15.014 5.551 -12.744 1.00 0.00 H new ATOM 0 HA LEU A 70 14.556 7.477 -10.587 1.00 0.00 H new ATOM 0 HB2 LEU A 70 15.693 7.433 -13.246 1.00 0.00 H new ATOM 0 HB3 LEU A 70 14.560 8.754 -13.043 1.00 0.00 H new ATOM 0 HG LEU A 70 16.335 8.542 -10.750 1.00 0.00 H new ATOM 0 HD11 LEU A 70 18.411 9.225 -11.879 1.00 0.00 H new ATOM 0 HD12 LEU A 70 17.914 7.576 -12.329 1.00 0.00 H new ATOM 0 HD13 LEU A 70 17.645 8.926 -13.457 1.00 0.00 H new ATOM 0 HD21 LEU A 70 16.709 10.921 -11.244 1.00 0.00 H new ATOM 0 HD22 LEU A 70 15.832 10.735 -12.781 1.00 0.00 H new ATOM 0 HD23 LEU A 70 14.980 10.503 -11.236 1.00 0.00 H new ATOM 1027 N HIS A 71 12.170 6.306 -12.214 1.00 0.00 N ATOM 1028 CA HIS A 71 10.737 6.354 -12.453 1.00 0.00 C ATOM 1029 C HIS A 71 10.198 4.933 -12.632 1.00 0.00 C ATOM 1030 O HIS A 71 9.772 4.560 -13.723 1.00 0.00 O ATOM 1031 CB HIS A 71 10.415 7.264 -13.640 1.00 0.00 C ATOM 1032 CG HIS A 71 8.950 7.606 -13.772 1.00 0.00 C ATOM 1033 ND1 HIS A 71 8.425 8.238 -14.886 1.00 0.00 N ATOM 1034 CD2 HIS A 71 7.906 7.397 -12.920 1.00 0.00 C ATOM 1035 CE1 HIS A 71 7.123 8.397 -14.701 1.00 0.00 C ATOM 1036 NE2 HIS A 71 6.803 7.876 -13.482 1.00 0.00 N ATOM 0 H HIS A 71 12.598 5.394 -12.371 1.00 0.00 H new ATOM 0 HA HIS A 71 10.235 6.789 -11.589 1.00 0.00 H new ATOM 0 HB2 HIS A 71 10.986 8.187 -13.542 1.00 0.00 H new ATOM 0 HB3 HIS A 71 10.748 6.779 -14.557 1.00 0.00 H new ATOM 0 HD1 HIS A 71 8.951 8.531 -15.709 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.966 6.922 -11.952 1.00 0.00 H new ATOM 0 HE1 HIS A 71 6.435 8.858 -15.394 1.00 0.00 H new ATOM 1044 N THR A 72 10.235 4.180 -11.543 1.00 0.00 N ATOM 1045 CA THR A 72 9.756 2.808 -11.566 1.00 0.00 C ATOM 1046 C THR A 72 8.232 2.778 -11.692 1.00 0.00 C ATOM 1047 O THR A 72 7.550 3.705 -11.257 1.00 0.00 O ATOM 1048 CB THR A 72 10.275 2.105 -10.310 1.00 0.00 C ATOM 1049 OG1 THR A 72 11.687 2.056 -10.498 1.00 0.00 O ATOM 1050 CG2 THR A 72 9.857 0.635 -10.247 1.00 0.00 C ATOM 0 H THR A 72 10.589 4.493 -10.639 1.00 0.00 H new ATOM 0 HA THR A 72 10.134 2.272 -12.436 1.00 0.00 H new ATOM 0 HB THR A 72 9.908 2.625 -9.425 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.990 1.125 -10.463 1.00 0.00 H new ATOM 0 HG21 THR A 72 10.251 0.183 -9.337 1.00 0.00 H new ATOM 0 HG22 THR A 72 8.769 0.566 -10.245 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.252 0.107 -11.115 1.00 0.00 H new ATOM 1058 N THR A 73 7.741 1.703 -12.291 1.00 0.00 N ATOM 1059 CA THR A 73 6.309 1.539 -12.480 1.00 0.00 C ATOM 1060 C THR A 73 5.888 0.105 -12.154 1.00 0.00 C ATOM 1061 O THR A 73 6.683 -0.825 -12.287 1.00 0.00 O ATOM 1062 CB THR A 73 5.971 1.961 -13.912 1.00 0.00 C ATOM 1063 OG1 THR A 73 6.785 1.118 -14.723 1.00 0.00 O ATOM 1064 CG2 THR A 73 6.458 3.374 -14.237 1.00 0.00 C ATOM 0 H THR A 73 8.309 0.937 -12.652 1.00 0.00 H new ATOM 0 HA THR A 73 5.744 2.173 -11.796 1.00 0.00 H new ATOM 0 HB THR A 73 4.893 1.906 -14.062 1.00 0.00 H new ATOM 0 HG1 THR A 73 6.628 1.323 -15.668 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.193 3.623 -15.264 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.988 4.086 -13.558 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.541 3.422 -14.120 1.00 0.00 H new ATOM 1072 N TRP A 74 4.639 -0.029 -11.732 1.00 0.00 N ATOM 1073 CA TRP A 74 4.103 -1.334 -11.385 1.00 0.00 C ATOM 1074 C TRP A 74 2.846 -1.568 -12.226 1.00 0.00 C ATOM 1075 O TRP A 74 2.428 -0.691 -12.980 1.00 0.00 O ATOM 1076 CB TRP A 74 3.843 -1.438 -9.881 1.00 0.00 C ATOM 1077 CG TRP A 74 5.113 -1.574 -9.038 1.00 0.00 C ATOM 1078 CD1 TRP A 74 5.694 -2.698 -8.598 1.00 0.00 C ATOM 1079 CD2 TRP A 74 5.940 -0.497 -8.550 1.00 0.00 C ATOM 1080 NE1 TRP A 74 6.831 -2.426 -7.864 1.00 0.00 N ATOM 1081 CE2 TRP A 74 6.985 -1.045 -7.834 1.00 0.00 C ATOM 1082 CE3 TRP A 74 5.810 0.894 -8.708 1.00 0.00 C ATOM 1083 CZ2 TRP A 74 7.980 -0.275 -7.219 1.00 0.00 C ATOM 1084 CZ3 TRP A 74 6.812 1.649 -8.088 1.00 0.00 C ATOM 1085 CH2 TRP A 74 7.871 1.113 -7.364 1.00 0.00 C ATOM 0 H TRP A 74 3.983 0.745 -11.623 1.00 0.00 H new ATOM 0 HA TRP A 74 4.824 -2.119 -11.611 1.00 0.00 H new ATOM 0 HB2 TRP A 74 3.296 -0.553 -9.555 1.00 0.00 H new ATOM 0 HB3 TRP A 74 3.200 -2.298 -9.692 1.00 0.00 H new ATOM 0 HD1 TRP A 74 5.320 -3.692 -8.793 1.00 0.00 H new ATOM 0 HE1 TRP A 74 7.445 -3.112 -7.425 1.00 0.00 H new ATOM 0 HE3 TRP A 74 5.001 1.344 -9.264 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 8.788 -0.728 -6.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 6.759 2.724 -8.178 1.00 0.00 H new ATOM 0 HH2 TRP A 74 8.606 1.765 -6.915 1.00 0.00 H new ATOM 1096 N GLU A 75 2.280 -2.755 -12.069 1.00 0.00 N ATOM 1097 CA GLU A 75 1.080 -3.115 -12.804 1.00 0.00 C ATOM 1098 C GLU A 75 -0.128 -3.147 -11.866 1.00 0.00 C ATOM 1099 O GLU A 75 -1.248 -2.850 -12.279 1.00 0.00 O ATOM 1100 CB GLU A 75 1.255 -4.457 -13.518 1.00 0.00 C ATOM 1101 CG GLU A 75 0.041 -4.777 -14.391 1.00 0.00 C ATOM 1102 CD GLU A 75 -0.031 -6.273 -14.704 1.00 0.00 C ATOM 1103 OE1 GLU A 75 1.047 -6.851 -14.961 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -1.162 -6.805 -14.678 1.00 0.00 O ATOM 0 H GLU A 75 2.630 -3.480 -11.443 1.00 0.00 H new ATOM 0 HA GLU A 75 0.904 -2.356 -13.566 1.00 0.00 H new ATOM 0 HB2 GLU A 75 2.154 -4.430 -14.134 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.397 -5.249 -12.782 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -0.870 -4.464 -13.881 1.00 0.00 H new ATOM 0 HG3 GLU A 75 0.097 -4.210 -15.320 1.00 0.00 H new ATOM 1111 N GLU A 76 0.140 -3.511 -10.621 1.00 0.00 N ATOM 1112 CA GLU A 76 -0.912 -3.586 -9.620 1.00 0.00 C ATOM 1113 C GLU A 76 -0.760 -2.452 -8.605 1.00 0.00 C ATOM 1114 O GLU A 76 0.251 -1.750 -8.599 1.00 0.00 O ATOM 1115 CB GLU A 76 -0.910 -4.949 -8.924 1.00 0.00 C ATOM 1116 CG GLU A 76 0.359 -5.138 -8.092 1.00 0.00 C ATOM 1117 CD GLU A 76 0.478 -6.579 -7.592 1.00 0.00 C ATOM 1118 OE1 GLU A 76 -0.465 -7.018 -6.897 1.00 0.00 O ATOM 1119 OE2 GLU A 76 1.507 -7.210 -7.916 1.00 0.00 O ATOM 0 H GLU A 76 1.070 -3.757 -10.282 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.873 -3.472 -10.121 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.786 -5.034 -8.282 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.982 -5.742 -9.669 1.00 0.00 H new ATOM 0 HG2 GLU A 76 1.233 -4.884 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 76 0.346 -4.455 -7.243 1.00 0.00 H new ATOM 1126 N GLY A 77 -1.778 -2.307 -7.770 1.00 0.00 N ATOM 1127 CA GLY A 77 -1.771 -1.270 -6.752 1.00 0.00 C ATOM 1128 C GLY A 77 -1.847 -1.877 -5.350 1.00 0.00 C ATOM 1129 O GLY A 77 -1.622 -3.074 -5.175 1.00 0.00 O ATOM 0 H GLY A 77 -2.614 -2.891 -7.778 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -0.865 -0.671 -6.844 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.615 -0.598 -6.907 1.00 0.00 H new ATOM 1133 N LEU A 78 -2.165 -1.024 -4.387 1.00 0.00 N ATOM 1134 CA LEU A 78 -2.274 -1.462 -3.006 1.00 0.00 C ATOM 1135 C LEU A 78 -3.725 -1.314 -2.541 1.00 0.00 C ATOM 1136 O LEU A 78 -4.261 -0.207 -2.513 1.00 0.00 O ATOM 1137 CB LEU A 78 -1.268 -0.717 -2.127 1.00 0.00 C ATOM 1138 CG LEU A 78 0.175 -0.687 -2.636 1.00 0.00 C ATOM 1139 CD1 LEU A 78 0.996 0.370 -1.896 1.00 0.00 C ATOM 1140 CD2 LEU A 78 0.815 -2.074 -2.549 1.00 0.00 C ATOM 0 H LEU A 78 -2.351 -0.032 -4.536 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.017 -2.518 -2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.611 0.311 -2.007 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -1.274 -1.173 -1.137 1.00 0.00 H new ATOM 0 HG LEU A 78 0.160 -0.404 -3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.017 0.370 -2.277 1.00 0.00 H new ATOM 0 HD12 LEU A 78 0.550 1.352 -2.053 1.00 0.00 H new ATOM 0 HD13 LEU A 78 1.007 0.142 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.840 -2.025 -2.917 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.817 -2.409 -1.512 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.245 -2.777 -3.156 1.00 0.00 H new ATOM 1152 N VAL A 79 -4.318 -2.445 -2.189 1.00 0.00 N ATOM 1153 CA VAL A 79 -5.696 -2.455 -1.728 1.00 0.00 C ATOM 1154 C VAL A 79 -5.735 -2.893 -0.262 1.00 0.00 C ATOM 1155 O VAL A 79 -5.060 -3.847 0.122 1.00 0.00 O ATOM 1156 CB VAL A 79 -6.547 -3.341 -2.639 1.00 0.00 C ATOM 1157 CG1 VAL A 79 -5.668 -4.292 -3.455 1.00 0.00 C ATOM 1158 CG2 VAL A 79 -7.590 -4.116 -1.832 1.00 0.00 C ATOM 0 H VAL A 79 -3.870 -3.361 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 79 -6.123 -1.454 -1.780 1.00 0.00 H new ATOM 0 HB VAL A 79 -7.077 -2.693 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -6.298 -4.911 -4.094 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -4.981 -3.713 -4.073 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -5.098 -4.930 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -8.181 -4.738 -2.504 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -7.087 -4.749 -1.100 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -8.245 -3.415 -1.316 1.00 0.00 H new ATOM 1168 N LEU A 80 -6.531 -2.175 0.516 1.00 0.00 N ATOM 1169 CA LEU A 80 -6.667 -2.477 1.931 1.00 0.00 C ATOM 1170 C LEU A 80 -8.148 -2.457 2.312 1.00 0.00 C ATOM 1171 O LEU A 80 -8.898 -1.595 1.856 1.00 0.00 O ATOM 1172 CB LEU A 80 -5.803 -1.531 2.766 1.00 0.00 C ATOM 1173 CG LEU A 80 -4.382 -1.289 2.252 1.00 0.00 C ATOM 1174 CD1 LEU A 80 -4.102 0.207 2.099 1.00 0.00 C ATOM 1175 CD2 LEU A 80 -3.350 -1.977 3.148 1.00 0.00 C ATOM 0 H LEU A 80 -7.089 -1.384 0.193 1.00 0.00 H new ATOM 0 HA LEU A 80 -6.297 -3.480 2.144 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -6.312 -0.570 2.833 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -5.739 -1.929 3.779 1.00 0.00 H new ATOM 0 HG LEU A 80 -4.296 -1.735 1.261 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -3.086 0.351 1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.808 0.639 1.390 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -4.212 0.699 3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.349 -1.789 2.760 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.427 -1.582 4.161 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.538 -3.051 3.162 1.00 0.00 H new ATOM 1187 N PRO A 81 -8.535 -3.441 3.168 1.00 0.00 N ATOM 1188 CA PRO A 81 -9.914 -3.543 3.616 1.00 0.00 C ATOM 1189 C PRO A 81 -10.234 -2.467 4.655 1.00 0.00 C ATOM 1190 O PRO A 81 -9.477 -2.271 5.605 1.00 0.00 O ATOM 1191 CB PRO A 81 -10.045 -4.955 4.164 1.00 0.00 C ATOM 1192 CG PRO A 81 -8.627 -5.433 4.429 1.00 0.00 C ATOM 1193 CD PRO A 81 -7.674 -4.478 3.728 1.00 0.00 C ATOM 0 HA PRO A 81 -10.631 -3.373 2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -10.638 -4.965 5.079 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -10.549 -5.606 3.450 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -8.426 -5.455 5.500 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -8.491 -6.449 4.058 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.950 -4.057 4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -7.107 -4.986 2.948 1.00 0.00 H new ATOM 1201 N LEU A 82 -11.356 -1.796 4.439 1.00 0.00 N ATOM 1202 CA LEU A 82 -11.786 -0.745 5.345 1.00 0.00 C ATOM 1203 C LEU A 82 -13.293 -0.532 5.194 1.00 0.00 C ATOM 1204 O LEU A 82 -13.846 -0.726 4.112 1.00 0.00 O ATOM 1205 CB LEU A 82 -10.960 0.524 5.123 1.00 0.00 C ATOM 1206 CG LEU A 82 -11.543 1.814 5.704 1.00 0.00 C ATOM 1207 CD1 LEU A 82 -11.337 1.875 7.219 1.00 0.00 C ATOM 1208 CD2 LEU A 82 -10.967 3.043 4.997 1.00 0.00 C ATOM 0 H LEU A 82 -11.980 -1.960 3.649 1.00 0.00 H new ATOM 0 HA LEU A 82 -11.608 -1.037 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -9.971 0.370 5.554 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -10.823 0.661 4.050 1.00 0.00 H new ATOM 0 HG LEU A 82 -12.618 1.814 5.525 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -11.760 2.802 7.607 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -11.833 1.025 7.688 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -10.271 1.842 7.443 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -11.398 3.946 5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -9.884 3.061 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -11.208 2.998 3.935 1.00 0.00 H new ATOM 1220 N ALA A 83 -13.916 -0.135 6.294 1.00 0.00 N ATOM 1221 CA ALA A 83 -15.349 0.107 6.297 1.00 0.00 C ATOM 1222 C ALA A 83 -15.617 1.565 5.918 1.00 0.00 C ATOM 1223 O ALA A 83 -14.960 2.473 6.427 1.00 0.00 O ATOM 1224 CB ALA A 83 -15.924 -0.255 7.668 1.00 0.00 C ATOM 0 H ALA A 83 -13.455 0.025 7.189 1.00 0.00 H new ATOM 0 HA ALA A 83 -15.846 -0.521 5.558 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -16.999 -0.074 7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -15.733 -1.308 7.876 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -15.450 0.358 8.435 1.00 0.00 H new ATOM 1230 N GLU A 84 -16.582 1.744 5.029 1.00 0.00 N ATOM 1231 CA GLU A 84 -16.945 3.076 4.576 1.00 0.00 C ATOM 1232 C GLU A 84 -17.283 3.969 5.772 1.00 0.00 C ATOM 1233 O GLU A 84 -17.173 5.192 5.689 1.00 0.00 O ATOM 1234 CB GLU A 84 -18.110 3.021 3.586 1.00 0.00 C ATOM 1235 CG GLU A 84 -18.243 4.339 2.822 1.00 0.00 C ATOM 1236 CD GLU A 84 -19.714 4.720 2.638 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -20.444 3.895 2.046 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -20.075 5.827 3.092 1.00 0.00 O ATOM 0 H GLU A 84 -17.124 0.989 4.610 1.00 0.00 H new ATOM 0 HA GLU A 84 -16.090 3.507 4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -17.956 2.203 2.883 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -19.037 2.811 4.121 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -17.723 5.131 3.362 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -17.762 4.249 1.848 1.00 0.00 H new ATOM 1245 N GLU A 85 -17.687 3.324 6.856 1.00 0.00 N ATOM 1246 CA GLU A 85 -18.042 4.045 8.067 1.00 0.00 C ATOM 1247 C GLU A 85 -16.782 4.432 8.842 1.00 0.00 C ATOM 1248 O GLU A 85 -16.858 5.150 9.838 1.00 0.00 O ATOM 1249 CB GLU A 85 -18.990 3.218 8.939 1.00 0.00 C ATOM 1250 CG GLU A 85 -18.215 2.205 9.783 1.00 0.00 C ATOM 1251 CD GLU A 85 -19.048 0.945 10.029 1.00 0.00 C ATOM 1252 OE1 GLU A 85 -19.866 0.981 10.973 1.00 0.00 O ATOM 1253 OE2 GLU A 85 -18.847 -0.025 9.267 1.00 0.00 O ATOM 0 H GLU A 85 -17.777 2.310 6.921 1.00 0.00 H new ATOM 0 HA GLU A 85 -18.565 4.958 7.783 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.560 3.880 9.591 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.709 2.696 8.307 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -17.287 1.939 9.277 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -17.940 2.655 10.737 1.00 0.00 H new ATOM 1260 N GLU A 86 -15.652 3.940 8.357 1.00 0.00 N ATOM 1261 CA GLU A 86 -14.377 4.226 8.992 1.00 0.00 C ATOM 1262 C GLU A 86 -13.493 5.056 8.059 1.00 0.00 C ATOM 1263 O GLU A 86 -12.414 5.498 8.450 1.00 0.00 O ATOM 1264 CB GLU A 86 -13.671 2.935 9.410 1.00 0.00 C ATOM 1265 CG GLU A 86 -14.614 2.025 10.200 1.00 0.00 C ATOM 1266 CD GLU A 86 -13.909 1.431 11.421 1.00 0.00 C ATOM 1267 OE1 GLU A 86 -12.666 1.315 11.357 1.00 0.00 O ATOM 1268 OE2 GLU A 86 -14.628 1.107 12.390 1.00 0.00 O ATOM 0 H GLU A 86 -15.593 3.345 7.531 1.00 0.00 H new ATOM 0 HA GLU A 86 -14.566 4.807 9.895 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -13.311 2.411 8.525 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -12.798 3.174 10.017 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -15.488 2.592 10.521 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -14.973 1.222 9.557 1.00 0.00 H new ATOM 1275 N LEU A 87 -13.984 5.244 6.843 1.00 0.00 N ATOM 1276 CA LEU A 87 -13.253 6.014 5.851 1.00 0.00 C ATOM 1277 C LEU A 87 -12.694 7.279 6.504 1.00 0.00 C ATOM 1278 O LEU A 87 -11.508 7.578 6.374 1.00 0.00 O ATOM 1279 CB LEU A 87 -14.133 6.289 4.630 1.00 0.00 C ATOM 1280 CG LEU A 87 -14.107 5.226 3.530 1.00 0.00 C ATOM 1281 CD1 LEU A 87 -15.274 5.412 2.559 1.00 0.00 C ATOM 1282 CD2 LEU A 87 -12.757 5.216 2.810 1.00 0.00 C ATOM 0 H LEU A 87 -14.880 4.876 6.522 1.00 0.00 H new ATOM 0 HA LEU A 87 -12.402 5.444 5.479 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -15.162 6.408 4.968 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -13.829 7.241 4.195 1.00 0.00 H new ATOM 0 HG LEU A 87 -14.231 4.249 3.996 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -15.231 4.643 1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -16.216 5.329 3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -15.208 6.396 2.095 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -12.765 4.452 2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -12.579 6.192 2.358 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.964 4.998 3.526 1.00 0.00 H new ATOM 1294 N PRO A 88 -13.599 8.009 7.210 1.00 0.00 N ATOM 1295 CA PRO A 88 -13.209 9.236 7.884 1.00 0.00 C ATOM 1296 C PRO A 88 -12.409 8.934 9.153 1.00 0.00 C ATOM 1297 O PRO A 88 -11.594 9.747 9.586 1.00 0.00 O ATOM 1298 CB PRO A 88 -14.514 9.963 8.163 1.00 0.00 C ATOM 1299 CG PRO A 88 -15.608 8.914 8.056 1.00 0.00 C ATOM 1300 CD PRO A 88 -15.012 7.686 7.386 1.00 0.00 C ATOM 0 HA PRO A 88 -12.545 9.855 7.281 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -14.504 10.417 9.154 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -14.674 10.768 7.446 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -15.992 8.661 9.044 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -16.448 9.296 7.475 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -15.141 6.797 8.003 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -15.494 7.483 6.430 1.00 0.00 H new ATOM 1308 N THR A 89 -12.672 7.763 9.715 1.00 0.00 N ATOM 1309 CA THR A 89 -11.987 7.343 10.926 1.00 0.00 C ATOM 1310 C THR A 89 -10.819 6.416 10.584 1.00 0.00 C ATOM 1311 O THR A 89 -10.433 5.574 11.394 1.00 0.00 O ATOM 1312 CB THR A 89 -13.020 6.703 11.855 1.00 0.00 C ATOM 1313 OG1 THR A 89 -13.133 5.364 11.379 1.00 0.00 O ATOM 1314 CG2 THR A 89 -14.421 7.286 11.664 1.00 0.00 C ATOM 0 H THR A 89 -13.350 7.092 9.354 1.00 0.00 H new ATOM 0 HA THR A 89 -11.544 8.193 11.445 1.00 0.00 H new ATOM 0 HB THR A 89 -12.709 6.839 12.891 1.00 0.00 H new ATOM 0 HG1 THR A 89 -13.891 4.924 11.818 1.00 0.00 H new ATOM 0 HG21 THR A 89 -15.115 6.797 12.347 1.00 0.00 H new ATOM 0 HG22 THR A 89 -14.401 8.356 11.871 1.00 0.00 H new ATOM 0 HG23 THR A 89 -14.747 7.121 10.637 1.00 0.00 H new ATOM 1322 N ALA A 90 -10.290 6.601 9.384 1.00 0.00 N ATOM 1323 CA ALA A 90 -9.174 5.792 8.925 1.00 0.00 C ATOM 1324 C ALA A 90 -8.193 6.675 8.151 1.00 0.00 C ATOM 1325 O ALA A 90 -8.588 7.682 7.566 1.00 0.00 O ATOM 1326 CB ALA A 90 -9.699 4.627 8.084 1.00 0.00 C ATOM 0 H ALA A 90 -10.614 7.300 8.715 1.00 0.00 H new ATOM 0 HA ALA A 90 -8.636 5.366 9.772 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -8.861 4.020 7.740 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.367 4.014 8.689 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.243 5.016 7.223 1.00 0.00 H new ATOM 1332 N THR A 91 -6.934 6.264 8.171 1.00 0.00 N ATOM 1333 CA THR A 91 -5.893 7.006 7.478 1.00 0.00 C ATOM 1334 C THR A 91 -4.921 6.045 6.792 1.00 0.00 C ATOM 1335 O THR A 91 -4.564 5.010 7.354 1.00 0.00 O ATOM 1336 CB THR A 91 -5.218 7.933 8.491 1.00 0.00 C ATOM 1337 OG1 THR A 91 -6.279 8.335 9.354 1.00 0.00 O ATOM 1338 CG2 THR A 91 -4.737 9.240 7.858 1.00 0.00 C ATOM 0 H THR A 91 -6.610 5.427 8.656 1.00 0.00 H new ATOM 0 HA THR A 91 -6.310 7.621 6.681 1.00 0.00 H new ATOM 0 HB THR A 91 -4.373 7.418 8.948 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.930 8.938 10.043 1.00 0.00 H new ATOM 0 HG21 THR A 91 -4.266 9.861 8.620 1.00 0.00 H new ATOM 0 HG22 THR A 91 -4.015 9.019 7.072 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.587 9.772 7.431 1.00 0.00 H new ATOM 1346 N LEU A 92 -4.520 6.420 5.586 1.00 0.00 N ATOM 1347 CA LEU A 92 -3.595 5.605 4.817 1.00 0.00 C ATOM 1348 C LEU A 92 -2.187 6.191 4.933 1.00 0.00 C ATOM 1349 O LEU A 92 -2.025 7.400 5.089 1.00 0.00 O ATOM 1350 CB LEU A 92 -4.083 5.457 3.375 1.00 0.00 C ATOM 1351 CG LEU A 92 -3.022 5.064 2.345 1.00 0.00 C ATOM 1352 CD1 LEU A 92 -2.494 3.654 2.613 1.00 0.00 C ATOM 1353 CD2 LEU A 92 -3.559 5.213 0.920 1.00 0.00 C ATOM 0 H LEU A 92 -4.819 7.278 5.122 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.553 4.593 5.220 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.875 4.708 3.355 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -4.530 6.402 3.065 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.179 5.748 2.445 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.741 3.399 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -2.047 3.615 3.607 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.316 2.941 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.785 4.927 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -4.428 4.568 0.789 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.847 6.250 0.746 1.00 0.00 H new ATOM 1365 N THR A 93 -1.204 5.306 4.853 1.00 0.00 N ATOM 1366 CA THR A 93 0.186 5.721 4.947 1.00 0.00 C ATOM 1367 C THR A 93 1.054 4.895 3.996 1.00 0.00 C ATOM 1368 O THR A 93 1.252 3.700 4.209 1.00 0.00 O ATOM 1369 CB THR A 93 0.614 5.610 6.411 1.00 0.00 C ATOM 1370 OG1 THR A 93 0.007 6.736 7.037 1.00 0.00 O ATOM 1371 CG2 THR A 93 2.115 5.841 6.602 1.00 0.00 C ATOM 0 H THR A 93 -1.342 4.304 4.724 1.00 0.00 H new ATOM 0 HA THR A 93 0.312 6.758 4.634 1.00 0.00 H new ATOM 0 HB THR A 93 0.347 4.625 6.793 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.193 6.522 7.972 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.365 5.751 7.659 1.00 0.00 H new ATOM 0 HG22 THR A 93 2.673 5.098 6.032 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.377 6.839 6.251 1.00 0.00 H new ATOM 1379 N LEU A 94 1.549 5.565 2.965 1.00 0.00 N ATOM 1380 CA LEU A 94 2.391 4.908 1.980 1.00 0.00 C ATOM 1381 C LEU A 94 3.841 4.917 2.469 1.00 0.00 C ATOM 1382 O LEU A 94 4.281 5.875 3.102 1.00 0.00 O ATOM 1383 CB LEU A 94 2.203 5.547 0.603 1.00 0.00 C ATOM 1384 CG LEU A 94 1.050 4.998 -0.239 1.00 0.00 C ATOM 1385 CD1 LEU A 94 -0.082 4.482 0.652 1.00 0.00 C ATOM 1386 CD2 LEU A 94 0.558 6.043 -1.243 1.00 0.00 C ATOM 0 H LEU A 94 1.383 6.556 2.791 1.00 0.00 H new ATOM 0 HA LEU A 94 2.099 3.864 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.050 6.618 0.739 1.00 0.00 H new ATOM 0 HB3 LEU A 94 3.128 5.427 0.039 1.00 0.00 H new ATOM 0 HG LEU A 94 1.421 4.149 -0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -0.889 4.097 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 94 0.294 3.684 1.292 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.458 5.297 1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -0.262 5.627 -1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 94 0.210 6.926 -0.708 1.00 0.00 H new ATOM 0 HD23 LEU A 94 1.375 6.321 -1.909 1.00 0.00 H new ATOM 1398 N THR A 95 4.543 3.837 2.157 1.00 0.00 N ATOM 1399 CA THR A 95 5.935 3.708 2.556 1.00 0.00 C ATOM 1400 C THR A 95 6.731 2.964 1.483 1.00 0.00 C ATOM 1401 O THR A 95 6.309 1.909 1.012 1.00 0.00 O ATOM 1402 CB THR A 95 5.972 3.024 3.924 1.00 0.00 C ATOM 1403 OG1 THR A 95 4.684 2.427 4.050 1.00 0.00 O ATOM 1404 CG2 THR A 95 6.032 4.026 5.079 1.00 0.00 C ATOM 0 H THR A 95 4.174 3.044 1.633 1.00 0.00 H new ATOM 0 HA THR A 95 6.412 4.684 2.651 1.00 0.00 H new ATOM 0 HB THR A 95 6.835 2.360 3.974 1.00 0.00 H new ATOM 0 HG1 THR A 95 4.761 1.584 4.543 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.056 3.488 6.027 1.00 0.00 H new ATOM 0 HG22 THR A 95 6.930 4.636 4.985 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.152 4.669 5.049 1.00 0.00 H new ATOM 1412 N LEU A 96 7.868 3.543 1.127 1.00 0.00 N ATOM 1413 CA LEU A 96 8.727 2.948 0.118 1.00 0.00 C ATOM 1414 C LEU A 96 9.863 2.187 0.805 1.00 0.00 C ATOM 1415 O LEU A 96 10.846 2.787 1.236 1.00 0.00 O ATOM 1416 CB LEU A 96 9.210 4.011 -0.870 1.00 0.00 C ATOM 1417 CG LEU A 96 10.248 3.552 -1.897 1.00 0.00 C ATOM 1418 CD1 LEU A 96 9.684 2.444 -2.788 1.00 0.00 C ATOM 1419 CD2 LEU A 96 10.771 4.735 -2.714 1.00 0.00 C ATOM 0 H LEU A 96 8.214 4.418 1.520 1.00 0.00 H new ATOM 0 HA LEU A 96 8.170 2.223 -0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 96 8.344 4.399 -1.407 1.00 0.00 H new ATOM 0 HB3 LEU A 96 9.632 4.841 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 96 11.098 3.131 -1.360 1.00 0.00 H new ATOM 0 HD11 LEU A 96 10.441 2.136 -3.509 1.00 0.00 H new ATOM 0 HD12 LEU A 96 9.401 1.591 -2.172 1.00 0.00 H new ATOM 0 HD13 LEU A 96 8.807 2.815 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 96 11.507 4.381 -3.436 1.00 0.00 H new ATOM 0 HD22 LEU A 96 9.942 5.207 -3.242 1.00 0.00 H new ATOM 0 HD23 LEU A 96 11.237 5.460 -2.047 1.00 0.00 H new ATOM 1431 N ARG A 97 9.690 0.876 0.886 1.00 0.00 N ATOM 1432 CA ARG A 97 10.688 0.026 1.514 1.00 0.00 C ATOM 1433 C ARG A 97 11.608 -0.584 0.454 1.00 0.00 C ATOM 1434 O ARG A 97 11.172 -0.872 -0.659 1.00 0.00 O ATOM 1435 CB ARG A 97 10.029 -1.098 2.316 1.00 0.00 C ATOM 1436 CG ARG A 97 8.603 -0.719 2.722 1.00 0.00 C ATOM 1437 CD ARG A 97 8.224 -1.364 4.056 1.00 0.00 C ATOM 1438 NE ARG A 97 8.232 -2.839 3.926 1.00 0.00 N ATOM 1439 CZ ARG A 97 7.540 -3.667 4.719 1.00 0.00 C ATOM 1440 NH1 ARG A 97 6.780 -3.171 5.705 1.00 0.00 N ATOM 1441 NH2 ARG A 97 7.608 -4.991 4.527 1.00 0.00 N ATOM 0 H ARG A 97 8.873 0.381 0.527 1.00 0.00 H new ATOM 0 HA ARG A 97 11.272 0.647 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 97 10.011 -2.011 1.722 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.621 -1.309 3.207 1.00 0.00 H new ATOM 0 HG2 ARG A 97 8.519 0.365 2.801 1.00 0.00 H new ATOM 0 HG3 ARG A 97 7.904 -1.037 1.948 1.00 0.00 H new ATOM 0 HD2 ARG A 97 8.926 -1.055 4.831 1.00 0.00 H new ATOM 0 HD3 ARG A 97 7.236 -1.023 4.366 1.00 0.00 H new ATOM 0 HE ARG A 97 8.800 -3.250 3.186 1.00 0.00 H new ATOM 0 HH11 ARG A 97 6.729 -2.163 5.851 1.00 0.00 H new ATOM 0 HH12 ARG A 97 6.253 -3.802 6.309 1.00 0.00 H new ATOM 0 HH21 ARG A 97 8.187 -5.368 3.777 1.00 0.00 H new ATOM 0 HH22 ARG A 97 7.081 -5.622 5.131 1.00 0.00 H new ATOM 1455 N THR A 98 12.863 -0.761 0.839 1.00 0.00 N ATOM 1456 CA THR A 98 13.848 -1.332 -0.064 1.00 0.00 C ATOM 1457 C THR A 98 14.148 -2.782 0.320 1.00 0.00 C ATOM 1458 O THR A 98 14.182 -3.120 1.502 1.00 0.00 O ATOM 1459 CB THR A 98 15.085 -0.431 -0.045 1.00 0.00 C ATOM 1460 OG1 THR A 98 15.416 -0.325 1.336 1.00 0.00 O ATOM 1461 CG2 THR A 98 14.768 1.007 -0.463 1.00 0.00 C ATOM 0 H THR A 98 13.220 -0.519 1.763 1.00 0.00 H new ATOM 0 HA THR A 98 13.471 -1.371 -1.086 1.00 0.00 H new ATOM 0 HB THR A 98 15.845 -0.844 -0.709 1.00 0.00 H new ATOM 0 HG1 THR A 98 16.209 0.241 1.440 1.00 0.00 H new ATOM 0 HG21 THR A 98 15.679 1.604 -0.432 1.00 0.00 H new ATOM 0 HG22 THR A 98 14.365 1.011 -1.476 1.00 0.00 H new ATOM 0 HG23 THR A 98 14.033 1.431 0.221 1.00 0.00 H new ATOM 1469 N CYS A 99 14.357 -3.600 -0.701 1.00 0.00 N ATOM 1470 CA CYS A 99 14.652 -5.006 -0.485 1.00 0.00 C ATOM 1471 C CYS A 99 15.939 -5.106 0.335 1.00 0.00 C ATOM 1472 O CYS A 99 16.953 -4.504 -0.017 1.00 0.00 O ATOM 1473 CB CYS A 99 14.756 -5.772 -1.806 1.00 0.00 C ATOM 1474 SG CYS A 99 15.269 -7.500 -1.489 1.00 0.00 S ATOM 0 H CYS A 99 14.328 -3.316 -1.680 1.00 0.00 H new ATOM 0 HA CYS A 99 13.834 -5.471 0.065 1.00 0.00 H new ATOM 0 HB2 CYS A 99 13.795 -5.758 -2.321 1.00 0.00 H new ATOM 0 HB3 CYS A 99 15.477 -5.285 -2.463 1.00 0.00 H new ATOM 0 HG CYS A 99 15.352 -8.142 -2.616 1.00 0.00 H new ATOM 1480 N ASP A 100 15.858 -5.872 1.414 1.00 0.00 N ATOM 1481 CA ASP A 100 17.005 -6.058 2.287 1.00 0.00 C ATOM 1482 C ASP A 100 16.706 -7.183 3.280 1.00 0.00 C ATOM 1483 O ASP A 100 15.581 -7.675 3.346 1.00 0.00 O ATOM 1484 CB ASP A 100 17.300 -4.788 3.087 1.00 0.00 C ATOM 1485 CG ASP A 100 16.084 -4.149 3.759 1.00 0.00 C ATOM 1486 OD1 ASP A 100 15.027 -4.816 3.771 1.00 0.00 O ATOM 1487 OD2 ASP A 100 16.239 -3.008 4.246 1.00 0.00 O ATOM 0 H ASP A 100 15.016 -6.371 1.703 1.00 0.00 H new ATOM 0 HA ASP A 100 17.867 -6.301 1.665 1.00 0.00 H new ATOM 0 HB2 ASP A 100 18.038 -5.023 3.854 1.00 0.00 H new ATOM 0 HB3 ASP A 100 17.755 -4.055 2.421 1.00 0.00 H new ATOM 1492 N ARG A 101 17.734 -7.557 4.028 1.00 0.00 N ATOM 1493 CA ARG A 101 17.595 -8.615 5.015 1.00 0.00 C ATOM 1494 C ARG A 101 16.237 -8.517 5.711 1.00 0.00 C ATOM 1495 O ARG A 101 15.469 -9.478 5.721 1.00 0.00 O ATOM 1496 CB ARG A 101 18.706 -8.537 6.065 1.00 0.00 C ATOM 1497 CG ARG A 101 18.899 -9.887 6.759 1.00 0.00 C ATOM 1498 CD ARG A 101 20.013 -9.810 7.805 1.00 0.00 C ATOM 1499 NE ARG A 101 21.258 -10.397 7.262 1.00 0.00 N ATOM 1500 CZ ARG A 101 21.383 -11.676 6.882 1.00 0.00 C ATOM 1501 NH1 ARG A 101 20.339 -12.510 6.983 1.00 0.00 N ATOM 1502 NH2 ARG A 101 22.551 -12.121 6.400 1.00 0.00 N ATOM 0 H ARG A 101 18.666 -7.147 3.971 1.00 0.00 H new ATOM 0 HA ARG A 101 17.670 -9.568 4.492 1.00 0.00 H new ATOM 0 HB2 ARG A 101 19.639 -8.231 5.591 1.00 0.00 H new ATOM 0 HB3 ARG A 101 18.459 -7.775 6.805 1.00 0.00 H new ATOM 0 HG2 ARG A 101 17.967 -10.191 7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 101 19.142 -10.649 6.019 1.00 0.00 H new ATOM 0 HD2 ARG A 101 20.185 -8.772 8.090 1.00 0.00 H new ATOM 0 HD3 ARG A 101 19.713 -10.343 8.707 1.00 0.00 H new ATOM 0 HE ARG A 101 22.073 -9.790 7.171 1.00 0.00 H new ATOM 0 HH11 ARG A 101 19.449 -12.171 7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 101 20.434 -13.483 6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 101 23.346 -11.486 6.322 1.00 0.00 H new ATOM 0 HH22 ARG A 101 22.646 -13.095 6.111 1.00 0.00 H new ATOM 1516 N PHE A 102 15.980 -7.346 6.277 1.00 0.00 N ATOM 1517 CA PHE A 102 14.727 -7.110 6.974 1.00 0.00 C ATOM 1518 C PHE A 102 14.374 -5.622 6.977 1.00 0.00 C ATOM 1519 O PHE A 102 14.890 -4.859 7.792 1.00 0.00 O ATOM 1520 CB PHE A 102 14.923 -7.579 8.417 1.00 0.00 C ATOM 1521 CG PHE A 102 15.224 -9.073 8.551 1.00 0.00 C ATOM 1522 CD1 PHE A 102 14.394 -9.988 7.981 1.00 0.00 C ATOM 1523 CD2 PHE A 102 16.322 -9.487 9.239 1.00 0.00 C ATOM 1524 CE1 PHE A 102 14.673 -11.374 8.105 1.00 0.00 C ATOM 1525 CE2 PHE A 102 16.601 -10.874 9.363 1.00 0.00 C ATOM 1526 CZ PHE A 102 15.771 -11.788 8.794 1.00 0.00 C ATOM 0 H PHE A 102 16.619 -6.551 6.267 1.00 0.00 H new ATOM 0 HA PHE A 102 13.918 -7.647 6.478 1.00 0.00 H new ATOM 0 HB2 PHE A 102 15.740 -7.013 8.864 1.00 0.00 H new ATOM 0 HB3 PHE A 102 14.024 -7.347 8.989 1.00 0.00 H new ATOM 0 HD1 PHE A 102 13.523 -9.660 7.434 1.00 0.00 H new ATOM 0 HD2 PHE A 102 16.982 -8.761 9.691 1.00 0.00 H new ATOM 0 HE1 PHE A 102 14.014 -12.100 7.653 1.00 0.00 H new ATOM 0 HE2 PHE A 102 17.473 -11.203 9.909 1.00 0.00 H new ATOM 0 HZ PHE A 102 15.983 -12.843 8.889 1.00 0.00 H new ATOM 1536 N SER A 103 13.496 -5.253 6.056 1.00 0.00 N ATOM 1537 CA SER A 103 13.067 -3.869 5.942 1.00 0.00 C ATOM 1538 C SER A 103 12.225 -3.481 7.159 1.00 0.00 C ATOM 1539 O SER A 103 11.068 -3.087 7.018 1.00 0.00 O ATOM 1540 CB SER A 103 12.274 -3.642 4.654 1.00 0.00 C ATOM 1541 OG SER A 103 12.839 -2.605 3.855 1.00 0.00 O ATOM 0 H SER A 103 13.070 -5.888 5.382 1.00 0.00 H new ATOM 0 HA SER A 103 13.955 -3.238 5.906 1.00 0.00 H new ATOM 0 HB2 SER A 103 12.244 -4.567 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 103 11.244 -3.388 4.903 1.00 0.00 H new ATOM 0 HG SER A 103 13.271 -2.997 3.068 1.00 0.00 H new ATOM 1547 N ARG A 104 12.838 -3.605 8.327 1.00 0.00 N ATOM 1548 CA ARG A 104 12.159 -3.271 9.568 1.00 0.00 C ATOM 1549 C ARG A 104 12.565 -1.872 10.036 1.00 0.00 C ATOM 1550 O ARG A 104 13.739 -1.511 9.978 1.00 0.00 O ATOM 1551 CB ARG A 104 12.489 -4.284 10.666 1.00 0.00 C ATOM 1552 CG ARG A 104 13.987 -4.287 10.977 1.00 0.00 C ATOM 1553 CD ARG A 104 14.291 -5.153 12.201 1.00 0.00 C ATOM 1554 NE ARG A 104 13.990 -6.571 11.906 1.00 0.00 N ATOM 1555 CZ ARG A 104 14.064 -7.559 12.808 1.00 0.00 C ATOM 1556 NH1 ARG A 104 14.430 -7.289 14.068 1.00 0.00 N ATOM 1557 NH2 ARG A 104 13.772 -8.817 12.450 1.00 0.00 N ATOM 0 H ARG A 104 13.797 -3.932 8.440 1.00 0.00 H new ATOM 0 HA ARG A 104 11.086 -3.296 9.376 1.00 0.00 H new ATOM 0 HB2 ARG A 104 11.927 -4.043 11.568 1.00 0.00 H new ATOM 0 HB3 ARG A 104 12.177 -5.280 10.352 1.00 0.00 H new ATOM 0 HG2 ARG A 104 14.540 -4.662 10.116 1.00 0.00 H new ATOM 0 HG3 ARG A 104 14.327 -3.267 11.155 1.00 0.00 H new ATOM 0 HD2 ARG A 104 15.339 -5.046 12.481 1.00 0.00 H new ATOM 0 HD3 ARG A 104 13.698 -4.816 13.051 1.00 0.00 H new ATOM 0 HE ARG A 104 13.708 -6.812 10.956 1.00 0.00 H new ATOM 0 HH11 ARG A 104 14.652 -6.332 14.340 1.00 0.00 H new ATOM 0 HH12 ARG A 104 14.486 -8.041 14.755 1.00 0.00 H new ATOM 0 HH21 ARG A 104 13.493 -9.023 11.491 1.00 0.00 H new ATOM 0 HH22 ARG A 104 13.828 -9.569 13.137 1.00 0.00 H new ATOM 1571 N HIS A 105 11.571 -1.123 10.489 1.00 0.00 N ATOM 1572 CA HIS A 105 11.809 0.229 10.966 1.00 0.00 C ATOM 1573 C HIS A 105 12.602 1.011 9.917 1.00 0.00 C ATOM 1574 O HIS A 105 13.263 1.997 10.241 1.00 0.00 O ATOM 1575 CB HIS A 105 12.495 0.208 12.334 1.00 0.00 C ATOM 1576 CG HIS A 105 11.560 -0.073 13.485 1.00 0.00 C ATOM 1577 ND1 HIS A 105 11.978 -0.675 14.660 1.00 0.00 N ATOM 1578 CD2 HIS A 105 10.226 0.171 13.631 1.00 0.00 C ATOM 1579 CE1 HIS A 105 10.934 -0.784 15.468 1.00 0.00 C ATOM 1580 NE2 HIS A 105 9.849 -0.259 14.829 1.00 0.00 N ATOM 0 H HIS A 105 10.598 -1.427 10.536 1.00 0.00 H new ATOM 0 HA HIS A 105 10.858 0.742 11.108 1.00 0.00 H new ATOM 0 HB2 HIS A 105 13.280 -0.548 12.324 1.00 0.00 H new ATOM 0 HB3 HIS A 105 12.981 1.169 12.500 1.00 0.00 H new ATOM 0 HD2 HIS A 105 9.585 0.635 12.896 1.00 0.00 H new ATOM 0 HE1 HIS A 105 10.941 -1.213 16.459 1.00 0.00 H new ATOM 0 HE2 HIS A 105 8.904 -0.206 15.209 1.00 0.00 H new ATOM 1588 N SER A 106 12.509 0.543 8.681 1.00 0.00 N ATOM 1589 CA SER A 106 13.209 1.186 7.583 1.00 0.00 C ATOM 1590 C SER A 106 12.220 1.551 6.474 1.00 0.00 C ATOM 1591 O SER A 106 11.494 0.690 5.977 1.00 0.00 O ATOM 1592 CB SER A 106 14.316 0.285 7.031 1.00 0.00 C ATOM 1593 OG SER A 106 15.438 0.221 7.907 1.00 0.00 O ATOM 0 H SER A 106 11.959 -0.274 8.416 1.00 0.00 H new ATOM 0 HA SER A 106 13.674 2.096 7.961 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.922 -0.719 6.873 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.636 0.658 6.058 1.00 0.00 H new ATOM 0 HG SER A 106 15.191 -0.266 8.720 1.00 0.00 H new ATOM 1599 N VAL A 107 12.223 2.827 6.118 1.00 0.00 N ATOM 1600 CA VAL A 107 11.334 3.316 5.077 1.00 0.00 C ATOM 1601 C VAL A 107 12.076 4.344 4.221 1.00 0.00 C ATOM 1602 O VAL A 107 12.491 5.389 4.719 1.00 0.00 O ATOM 1603 CB VAL A 107 10.053 3.871 5.701 1.00 0.00 C ATOM 1604 CG1 VAL A 107 9.338 4.818 4.735 1.00 0.00 C ATOM 1605 CG2 VAL A 107 9.125 2.739 6.146 1.00 0.00 C ATOM 0 H VAL A 107 12.827 3.537 6.532 1.00 0.00 H new ATOM 0 HA VAL A 107 11.032 2.501 4.419 1.00 0.00 H new ATOM 0 HB VAL A 107 10.332 4.443 6.586 1.00 0.00 H new ATOM 0 HG11 VAL A 107 8.430 5.198 5.203 1.00 0.00 H new ATOM 0 HG12 VAL A 107 9.996 5.651 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 107 9.078 4.280 3.824 1.00 0.00 H new ATOM 0 HG21 VAL A 107 8.222 3.161 6.586 1.00 0.00 H new ATOM 0 HG22 VAL A 107 8.857 2.128 5.284 1.00 0.00 H new ATOM 0 HG23 VAL A 107 9.634 2.121 6.885 1.00 0.00 H new ATOM 1615 N ALA A 108 12.221 4.011 2.946 1.00 0.00 N ATOM 1616 CA ALA A 108 12.906 4.892 2.016 1.00 0.00 C ATOM 1617 C ALA A 108 12.150 6.220 1.927 1.00 0.00 C ATOM 1618 O ALA A 108 12.728 7.245 1.571 1.00 0.00 O ATOM 1619 CB ALA A 108 13.032 4.201 0.657 1.00 0.00 C ATOM 0 H ALA A 108 11.876 3.143 2.536 1.00 0.00 H new ATOM 0 HA ALA A 108 13.915 5.110 2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 108 13.546 4.862 -0.041 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.601 3.278 0.769 1.00 0.00 H new ATOM 0 HB3 ALA A 108 12.038 3.970 0.273 1.00 0.00 H new ATOM 1625 N GLY A 109 10.868 6.157 2.258 1.00 0.00 N ATOM 1626 CA GLY A 109 10.027 7.342 2.220 1.00 0.00 C ATOM 1627 C GLY A 109 8.595 7.010 2.642 1.00 0.00 C ATOM 1628 O GLY A 109 7.987 6.080 2.114 1.00 0.00 O ATOM 0 H GLY A 109 10.392 5.305 2.553 1.00 0.00 H new ATOM 0 HA2 GLY A 109 10.437 8.105 2.881 1.00 0.00 H new ATOM 0 HA3 GLY A 109 10.026 7.760 1.213 1.00 0.00 H new ATOM 1632 N GLU A 110 8.096 7.790 3.590 1.00 0.00 N ATOM 1633 CA GLU A 110 6.746 7.591 4.090 1.00 0.00 C ATOM 1634 C GLU A 110 5.833 8.725 3.618 1.00 0.00 C ATOM 1635 O GLU A 110 6.227 9.890 3.630 1.00 0.00 O ATOM 1636 CB GLU A 110 6.737 7.480 5.616 1.00 0.00 C ATOM 1637 CG GLU A 110 5.363 7.840 6.184 1.00 0.00 C ATOM 1638 CD GLU A 110 5.357 7.739 7.711 1.00 0.00 C ATOM 1639 OE1 GLU A 110 5.313 6.592 8.204 1.00 0.00 O ATOM 1640 OE2 GLU A 110 5.397 8.813 8.350 1.00 0.00 O ATOM 0 H GLU A 110 8.602 8.561 4.025 1.00 0.00 H new ATOM 0 HA GLU A 110 6.365 6.652 3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 110 7.002 6.465 5.912 1.00 0.00 H new ATOM 0 HB3 GLU A 110 7.493 8.143 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 110 5.095 8.852 5.882 1.00 0.00 H new ATOM 0 HG3 GLU A 110 4.608 7.173 5.769 1.00 0.00 H new ATOM 1647 N LEU A 111 4.631 8.343 3.212 1.00 0.00 N ATOM 1648 CA LEU A 111 3.659 9.313 2.737 1.00 0.00 C ATOM 1649 C LEU A 111 2.343 9.122 3.494 1.00 0.00 C ATOM 1650 O LEU A 111 1.991 8.003 3.863 1.00 0.00 O ATOM 1651 CB LEU A 111 3.512 9.223 1.217 1.00 0.00 C ATOM 1652 CG LEU A 111 3.693 10.533 0.447 1.00 0.00 C ATOM 1653 CD1 LEU A 111 4.300 10.279 -0.934 1.00 0.00 C ATOM 1654 CD2 LEU A 111 2.374 11.304 0.360 1.00 0.00 C ATOM 0 H LEU A 111 4.308 7.375 3.202 1.00 0.00 H new ATOM 0 HA LEU A 111 4.001 10.327 2.942 1.00 0.00 H new ATOM 0 HB2 LEU A 111 4.239 8.502 0.844 1.00 0.00 H new ATOM 0 HB3 LEU A 111 2.523 8.825 0.990 1.00 0.00 H new ATOM 0 HG LEU A 111 4.396 11.158 0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 111 4.418 11.227 -1.460 1.00 0.00 H new ATOM 0 HD12 LEU A 111 5.274 9.803 -0.821 1.00 0.00 H new ATOM 0 HD13 LEU A 111 3.641 9.626 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 111 2.530 12.231 -0.192 1.00 0.00 H new ATOM 0 HD22 LEU A 111 1.630 10.696 -0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 111 2.021 11.535 1.365 1.00 0.00 H new ATOM 1666 N ARG A 112 1.651 10.233 3.703 1.00 0.00 N ATOM 1667 CA ARG A 112 0.382 10.203 4.409 1.00 0.00 C ATOM 1668 C ARG A 112 -0.755 10.623 3.476 1.00 0.00 C ATOM 1669 O ARG A 112 -0.578 11.500 2.632 1.00 0.00 O ATOM 1670 CB ARG A 112 0.405 11.132 5.624 1.00 0.00 C ATOM 1671 CG ARG A 112 0.284 10.337 6.925 1.00 0.00 C ATOM 1672 CD ARG A 112 -1.125 9.760 7.086 1.00 0.00 C ATOM 1673 NE ARG A 112 -1.685 10.153 8.398 1.00 0.00 N ATOM 1674 CZ ARG A 112 -1.275 9.651 9.571 1.00 0.00 C ATOM 1675 NH1 ARG A 112 -0.298 8.735 9.603 1.00 0.00 N ATOM 1676 NH2 ARG A 112 -1.841 10.066 10.712 1.00 0.00 N ATOM 0 H ARG A 112 1.946 11.160 3.395 1.00 0.00 H new ATOM 0 HA ARG A 112 0.217 9.181 4.751 1.00 0.00 H new ATOM 0 HB2 ARG A 112 1.331 11.706 5.630 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.414 11.848 5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 112 1.015 9.528 6.931 1.00 0.00 H new ATOM 0 HG3 ARG A 112 0.516 10.982 7.773 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.769 10.121 6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -1.094 8.673 7.005 1.00 0.00 H new ATOM 0 HE ARG A 112 -2.430 10.850 8.410 1.00 0.00 H new ATOM 0 HH11 ARG A 112 0.134 8.420 8.735 1.00 0.00 H new ATOM 0 HH12 ARG A 112 0.014 8.353 10.496 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -2.584 10.764 10.688 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -1.529 9.684 11.605 1.00 0.00 H new ATOM 1690 N LEU A 113 -1.898 9.977 3.659 1.00 0.00 N ATOM 1691 CA LEU A 113 -3.063 10.273 2.843 1.00 0.00 C ATOM 1692 C LEU A 113 -4.328 10.090 3.684 1.00 0.00 C ATOM 1693 O LEU A 113 -4.260 9.628 4.822 1.00 0.00 O ATOM 1694 CB LEU A 113 -3.049 9.434 1.564 1.00 0.00 C ATOM 1695 CG LEU A 113 -1.785 9.537 0.708 1.00 0.00 C ATOM 1696 CD1 LEU A 113 -1.789 8.488 -0.405 1.00 0.00 C ATOM 1697 CD2 LEU A 113 -1.609 10.955 0.159 1.00 0.00 C ATOM 0 H LEU A 113 -2.042 9.250 4.360 1.00 0.00 H new ATOM 0 HA LEU A 113 -3.044 11.312 2.515 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -3.195 8.389 1.837 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -3.903 9.726 0.952 1.00 0.00 H new ATOM 0 HG LEU A 113 -0.924 9.328 1.343 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -0.880 8.583 -0.998 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -1.833 7.491 0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -2.658 8.640 -1.046 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -0.703 11.001 -0.446 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -2.470 11.216 -0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -1.528 11.659 0.988 1.00 0.00 H new ATOM 1709 N GLY A 114 -5.453 10.462 3.092 1.00 0.00 N ATOM 1710 CA GLY A 114 -6.732 10.345 3.772 1.00 0.00 C ATOM 1711 C GLY A 114 -7.774 9.680 2.871 1.00 0.00 C ATOM 1712 O GLY A 114 -7.765 9.875 1.657 1.00 0.00 O ATOM 0 H GLY A 114 -5.506 10.845 2.148 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -6.610 9.762 4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -7.081 11.334 4.069 1.00 0.00 H new ATOM 1716 N LEU A 115 -8.647 8.907 3.501 1.00 0.00 N ATOM 1717 CA LEU A 115 -9.693 8.211 2.771 1.00 0.00 C ATOM 1718 C LEU A 115 -11.048 8.836 3.111 1.00 0.00 C ATOM 1719 O LEU A 115 -12.069 8.150 3.110 1.00 0.00 O ATOM 1720 CB LEU A 115 -9.625 6.707 3.040 1.00 0.00 C ATOM 1721 CG LEU A 115 -8.245 6.151 3.398 1.00 0.00 C ATOM 1722 CD1 LEU A 115 -7.152 6.811 2.555 1.00 0.00 C ATOM 1723 CD2 LEU A 115 -7.972 6.287 4.897 1.00 0.00 C ATOM 0 H LEU A 115 -8.651 8.748 4.508 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.549 8.326 1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -10.312 6.472 3.853 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -9.988 6.183 2.156 1.00 0.00 H new ATOM 0 HG LEU A 115 -8.234 5.087 3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -6.181 6.398 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -7.342 6.620 1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -7.153 7.886 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -6.985 5.885 5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -8.009 7.339 5.180 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -8.727 5.734 5.456 1.00 0.00 H new ATOM 1735 N ASP A 116 -11.013 10.130 3.393 1.00 0.00 N ATOM 1736 CA ASP A 116 -12.225 10.854 3.734 1.00 0.00 C ATOM 1737 C ASP A 116 -12.725 11.611 2.502 1.00 0.00 C ATOM 1738 O ASP A 116 -13.931 11.725 2.286 1.00 0.00 O ATOM 1739 CB ASP A 116 -11.963 11.876 4.843 1.00 0.00 C ATOM 1740 CG ASP A 116 -10.672 12.682 4.687 1.00 0.00 C ATOM 1741 OD1 ASP A 116 -10.490 13.257 3.592 1.00 0.00 O ATOM 1742 OD2 ASP A 116 -9.895 12.706 5.666 1.00 0.00 O ATOM 0 H ASP A 116 -10.164 10.696 3.392 1.00 0.00 H new ATOM 0 HA ASP A 116 -12.965 10.131 4.078 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -12.803 12.569 4.884 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -11.934 11.353 5.799 1.00 0.00 H new ATOM 1747 N GLY A 117 -11.773 12.110 1.727 1.00 0.00 N ATOM 1748 CA GLY A 117 -12.102 12.853 0.522 1.00 0.00 C ATOM 1749 C GLY A 117 -11.743 14.332 0.675 1.00 0.00 C ATOM 1750 O GLY A 117 -12.439 15.201 0.151 1.00 0.00 O ATOM 0 H GLY A 117 -10.774 12.014 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 117 -11.565 12.431 -0.328 1.00 0.00 H new ATOM 0 HA3 GLY A 117 -13.166 12.754 0.308 1.00 0.00 H new ATOM 1754 N THR A 118 -10.658 14.573 1.396 1.00 0.00 N ATOM 1755 CA THR A 118 -10.198 15.933 1.624 1.00 0.00 C ATOM 1756 C THR A 118 -8.807 16.134 1.020 1.00 0.00 C ATOM 1757 O THR A 118 -8.679 16.601 -0.111 1.00 0.00 O ATOM 1758 CB THR A 118 -10.252 16.203 3.129 1.00 0.00 C ATOM 1759 OG1 THR A 118 -11.630 16.460 3.387 1.00 0.00 O ATOM 1760 CG2 THR A 118 -9.551 17.507 3.515 1.00 0.00 C ATOM 0 H THR A 118 -10.084 13.850 1.830 1.00 0.00 H new ATOM 0 HA THR A 118 -10.842 16.658 1.125 1.00 0.00 H new ATOM 0 HB THR A 118 -9.792 15.372 3.663 1.00 0.00 H new ATOM 0 HG1 THR A 118 -11.755 16.643 4.341 1.00 0.00 H new ATOM 0 HG21 THR A 118 -9.618 17.651 4.593 1.00 0.00 H new ATOM 0 HG22 THR A 118 -8.503 17.458 3.220 1.00 0.00 H new ATOM 0 HG23 THR A 118 -10.032 18.343 3.007 1.00 0.00 H new ATOM 1768 N SER A 119 -7.800 15.771 1.801 1.00 0.00 N ATOM 1769 CA SER A 119 -6.423 15.905 1.357 1.00 0.00 C ATOM 1770 C SER A 119 -6.299 15.468 -0.104 1.00 0.00 C ATOM 1771 O SER A 119 -6.026 16.288 -0.980 1.00 0.00 O ATOM 1772 CB SER A 119 -5.477 15.087 2.238 1.00 0.00 C ATOM 1773 OG SER A 119 -5.567 15.462 3.610 1.00 0.00 O ATOM 0 H SER A 119 -7.910 15.384 2.738 1.00 0.00 H new ATOM 0 HA SER A 119 -6.138 16.954 1.441 1.00 0.00 H new ATOM 0 HB2 SER A 119 -5.712 14.027 2.136 1.00 0.00 H new ATOM 0 HB3 SER A 119 -4.452 15.221 1.892 1.00 0.00 H new ATOM 0 HG SER A 119 -4.949 14.916 4.140 1.00 0.00 H new ATOM 1779 N VAL A 120 -6.505 14.178 -0.322 1.00 0.00 N ATOM 1780 CA VAL A 120 -6.420 13.622 -1.662 1.00 0.00 C ATOM 1781 C VAL A 120 -7.780 13.042 -2.056 1.00 0.00 C ATOM 1782 O VAL A 120 -8.396 12.313 -1.280 1.00 0.00 O ATOM 1783 CB VAL A 120 -5.289 12.594 -1.731 1.00 0.00 C ATOM 1784 CG1 VAL A 120 -3.977 13.251 -2.163 1.00 0.00 C ATOM 1785 CG2 VAL A 120 -5.124 11.869 -0.394 1.00 0.00 C ATOM 0 H VAL A 120 -6.731 13.501 0.407 1.00 0.00 H new ATOM 0 HA VAL A 120 -6.177 14.401 -2.384 1.00 0.00 H new ATOM 0 HB VAL A 120 -5.557 11.852 -2.484 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -3.190 12.498 -2.204 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -4.102 13.700 -3.149 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -3.703 14.024 -1.445 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -4.314 11.144 -0.471 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -4.890 12.593 0.386 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -6.050 11.352 -0.144 1.00 0.00 H new ATOM 1795 N PRO A 121 -8.219 13.396 -3.293 1.00 0.00 N ATOM 1796 CA PRO A 121 -9.495 12.919 -3.800 1.00 0.00 C ATOM 1797 C PRO A 121 -9.404 11.449 -4.215 1.00 0.00 C ATOM 1798 O PRO A 121 -8.317 10.875 -4.245 1.00 0.00 O ATOM 1799 CB PRO A 121 -9.829 13.844 -4.958 1.00 0.00 C ATOM 1800 CG PRO A 121 -8.520 14.508 -5.353 1.00 0.00 C ATOM 1801 CD PRO A 121 -7.516 14.258 -4.239 1.00 0.00 C ATOM 0 HA PRO A 121 -10.283 12.945 -3.048 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.252 13.286 -5.794 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -10.570 14.587 -4.663 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.154 14.100 -6.295 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.665 15.578 -5.504 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -6.615 13.777 -4.619 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -7.205 15.191 -3.769 1.00 0.00 H new ATOM 1809 N LEU A 122 -10.561 10.883 -4.526 1.00 0.00 N ATOM 1810 CA LEU A 122 -10.626 9.491 -4.938 1.00 0.00 C ATOM 1811 C LEU A 122 -10.658 9.417 -6.466 1.00 0.00 C ATOM 1812 O LEU A 122 -11.081 10.364 -7.128 1.00 0.00 O ATOM 1813 CB LEU A 122 -11.805 8.787 -4.264 1.00 0.00 C ATOM 1814 CG LEU A 122 -11.658 8.519 -2.764 1.00 0.00 C ATOM 1815 CD1 LEU A 122 -12.988 8.075 -2.154 1.00 0.00 C ATOM 1816 CD2 LEU A 122 -10.538 7.511 -2.495 1.00 0.00 C ATOM 0 H LEU A 122 -11.461 11.363 -4.501 1.00 0.00 H new ATOM 0 HA LEU A 122 -9.735 8.955 -4.611 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -12.700 9.390 -4.419 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -11.971 7.835 -4.768 1.00 0.00 H new ATOM 0 HG LEU A 122 -11.376 9.452 -2.276 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -12.856 7.891 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -13.733 8.857 -2.298 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -13.324 7.160 -2.641 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -10.454 7.338 -1.422 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -10.766 6.571 -2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -9.595 7.905 -2.874 1.00 0.00 H new ATOM 1828 N GLY A 123 -10.206 8.284 -6.982 1.00 0.00 N ATOM 1829 CA GLY A 123 -10.177 8.075 -8.419 1.00 0.00 C ATOM 1830 C GLY A 123 -9.401 9.191 -9.121 1.00 0.00 C ATOM 1831 O GLY A 123 -9.571 9.412 -10.319 1.00 0.00 O ATOM 0 H GLY A 123 -9.857 7.501 -6.430 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -9.716 7.112 -8.641 1.00 0.00 H new ATOM 0 HA3 GLY A 123 -11.196 8.037 -8.805 1.00 0.00 H new ATOM 1835 N ALA A 124 -8.565 9.865 -8.345 1.00 0.00 N ATOM 1836 CA ALA A 124 -7.762 10.953 -8.876 1.00 0.00 C ATOM 1837 C ALA A 124 -6.304 10.758 -8.455 1.00 0.00 C ATOM 1838 O ALA A 124 -5.936 11.064 -7.321 1.00 0.00 O ATOM 1839 CB ALA A 124 -8.334 12.290 -8.400 1.00 0.00 C ATOM 0 H ALA A 124 -8.426 9.678 -7.352 1.00 0.00 H new ATOM 0 HA ALA A 124 -7.792 10.956 -9.966 1.00 0.00 H new ATOM 0 HB1 ALA A 124 -7.731 13.106 -8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 124 -9.361 12.392 -8.751 1.00 0.00 H new ATOM 0 HB3 ALA A 124 -8.318 12.325 -7.311 1.00 0.00 H new ATOM 1845 N ALA A 125 -5.514 10.251 -9.389 1.00 0.00 N ATOM 1846 CA ALA A 125 -4.104 10.013 -9.129 1.00 0.00 C ATOM 1847 C ALA A 125 -3.400 11.350 -8.893 1.00 0.00 C ATOM 1848 O ALA A 125 -3.628 12.313 -9.624 1.00 0.00 O ATOM 1849 CB ALA A 125 -3.495 9.230 -10.293 1.00 0.00 C ATOM 0 H ALA A 125 -5.823 9.998 -10.328 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.976 9.411 -8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -2.438 9.052 -10.098 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.011 8.275 -10.399 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -3.602 9.804 -11.213 1.00 0.00 H new ATOM 1855 N GLN A 126 -2.558 11.367 -7.871 1.00 0.00 N ATOM 1856 CA GLN A 126 -1.819 12.571 -7.530 1.00 0.00 C ATOM 1857 C GLN A 126 -0.332 12.251 -7.362 1.00 0.00 C ATOM 1858 O GLN A 126 0.037 11.101 -7.125 1.00 0.00 O ATOM 1859 CB GLN A 126 -2.385 13.223 -6.267 1.00 0.00 C ATOM 1860 CG GLN A 126 -3.914 13.267 -6.312 1.00 0.00 C ATOM 1861 CD GLN A 126 -4.434 14.653 -5.922 1.00 0.00 C ATOM 1862 OE1 GLN A 126 -3.840 15.367 -5.131 1.00 0.00 O ATOM 1863 NE2 GLN A 126 -5.573 14.991 -6.519 1.00 0.00 N ATOM 0 H GLN A 126 -2.371 10.566 -7.268 1.00 0.00 H new ATOM 0 HA GLN A 126 -1.928 13.284 -8.347 1.00 0.00 H new ATOM 0 HB2 GLN A 126 -2.059 12.666 -5.388 1.00 0.00 H new ATOM 0 HB3 GLN A 126 -1.991 14.234 -6.168 1.00 0.00 H new ATOM 0 HG2 GLN A 126 -4.259 13.014 -7.314 1.00 0.00 H new ATOM 0 HG3 GLN A 126 -4.323 12.517 -5.635 1.00 0.00 H new ATOM 0 HE21 GLN A 126 -6.018 14.345 -7.171 1.00 0.00 H new ATOM 0 HE22 GLN A 126 -6.002 15.896 -6.325 1.00 0.00 H new ATOM 1872 N TRP A 127 0.482 13.288 -7.492 1.00 0.00 N ATOM 1873 CA TRP A 127 1.921 13.132 -7.357 1.00 0.00 C ATOM 1874 C TRP A 127 2.337 13.724 -6.009 1.00 0.00 C ATOM 1875 O TRP A 127 2.538 14.932 -5.894 1.00 0.00 O ATOM 1876 CB TRP A 127 2.654 13.766 -8.541 1.00 0.00 C ATOM 1877 CG TRP A 127 2.814 12.836 -9.745 1.00 0.00 C ATOM 1878 CD1 TRP A 127 2.087 12.810 -10.870 1.00 0.00 C ATOM 1879 CD2 TRP A 127 3.797 11.790 -9.899 1.00 0.00 C ATOM 1880 NE1 TRP A 127 2.527 11.828 -11.734 1.00 0.00 N ATOM 1881 CE2 TRP A 127 3.601 11.189 -11.125 1.00 0.00 C ATOM 1882 CE3 TRP A 127 4.819 11.367 -9.030 1.00 0.00 C ATOM 1883 CZ2 TRP A 127 4.387 10.130 -11.594 1.00 0.00 C ATOM 1884 CZ3 TRP A 127 5.596 10.307 -9.514 1.00 0.00 C ATOM 1885 CH2 TRP A 127 5.411 9.691 -10.746 1.00 0.00 C ATOM 0 H TRP A 127 0.173 14.240 -7.689 1.00 0.00 H new ATOM 0 HA TRP A 127 2.198 12.078 -7.374 1.00 0.00 H new ATOM 0 HB2 TRP A 127 2.113 14.659 -8.854 1.00 0.00 H new ATOM 0 HB3 TRP A 127 3.641 14.091 -8.212 1.00 0.00 H new ATOM 0 HD1 TRP A 127 1.260 13.474 -11.075 1.00 0.00 H new ATOM 0 HE1 TRP A 127 2.136 11.611 -12.651 1.00 0.00 H new ATOM 0 HE3 TRP A 127 4.991 11.823 -8.066 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 4.213 9.676 -12.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 6.395 9.943 -8.886 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.054 8.878 -11.048 1.00 0.00 H new ATOM 1896 N GLY A 128 2.453 12.846 -5.024 1.00 0.00 N ATOM 1897 CA GLY A 128 2.842 13.267 -3.689 1.00 0.00 C ATOM 1898 C GLY A 128 4.298 12.898 -3.399 1.00 0.00 C ATOM 1899 O GLY A 128 4.795 11.886 -3.892 1.00 0.00 O ATOM 0 H GLY A 128 2.284 11.845 -5.124 1.00 0.00 H new ATOM 0 HA2 GLY A 128 2.710 14.345 -3.591 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.191 12.798 -2.952 1.00 0.00 H new ATOM 1903 N GLU A 129 4.941 13.738 -2.601 1.00 0.00 N ATOM 1904 CA GLU A 129 6.330 13.513 -2.240 1.00 0.00 C ATOM 1905 C GLU A 129 6.418 12.653 -0.978 1.00 0.00 C ATOM 1906 O GLU A 129 5.515 12.676 -0.142 1.00 0.00 O ATOM 1907 CB GLU A 129 7.070 14.838 -2.053 1.00 0.00 C ATOM 1908 CG GLU A 129 7.929 15.164 -3.276 1.00 0.00 C ATOM 1909 CD GLU A 129 7.268 16.239 -4.141 1.00 0.00 C ATOM 1910 OE1 GLU A 129 6.192 15.935 -4.700 1.00 0.00 O ATOM 1911 OE2 GLU A 129 7.852 17.341 -4.222 1.00 0.00 O ATOM 0 H GLU A 129 4.525 14.576 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 129 6.814 12.977 -3.056 1.00 0.00 H new ATOM 0 HB2 GLU A 129 6.351 15.640 -1.885 1.00 0.00 H new ATOM 0 HB3 GLU A 129 7.700 14.784 -1.165 1.00 0.00 H new ATOM 0 HG2 GLU A 129 8.912 15.506 -2.953 1.00 0.00 H new ATOM 0 HG3 GLU A 129 8.084 14.261 -3.867 1.00 0.00 H new ATOM 1918 N LEU A 130 7.513 11.914 -0.878 1.00 0.00 N ATOM 1919 CA LEU A 130 7.730 11.048 0.268 1.00 0.00 C ATOM 1920 C LEU A 130 8.254 11.882 1.439 1.00 0.00 C ATOM 1921 O LEU A 130 9.162 12.695 1.270 1.00 0.00 O ATOM 1922 CB LEU A 130 8.640 9.878 -0.109 1.00 0.00 C ATOM 1923 CG LEU A 130 8.026 8.819 -1.027 1.00 0.00 C ATOM 1924 CD1 LEU A 130 9.108 7.928 -1.638 1.00 0.00 C ATOM 1925 CD2 LEU A 130 6.962 8.004 -0.288 1.00 0.00 C ATOM 0 H LEU A 130 8.260 11.897 -1.572 1.00 0.00 H new ATOM 0 HA LEU A 130 6.790 10.599 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 130 9.531 10.278 -0.594 1.00 0.00 H new ATOM 0 HB3 LEU A 130 8.968 9.389 0.808 1.00 0.00 H new ATOM 0 HG LEU A 130 7.527 9.329 -1.851 1.00 0.00 H new ATOM 0 HD11 LEU A 130 8.644 7.184 -2.286 1.00 0.00 H new ATOM 0 HD12 LEU A 130 9.796 8.539 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 130 9.657 7.424 -0.842 1.00 0.00 H new ATOM 0 HD21 LEU A 130 6.541 7.258 -0.963 1.00 0.00 H new ATOM 0 HD22 LEU A 130 7.416 7.504 0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 130 6.170 8.668 0.058 1.00 0.00 H new ATOM 1937 N LYS A 131 7.660 11.652 2.601 1.00 0.00 N ATOM 1938 CA LYS A 131 8.055 12.371 3.800 1.00 0.00 C ATOM 1939 C LYS A 131 9.183 11.609 4.498 1.00 0.00 C ATOM 1940 O LYS A 131 9.065 11.256 5.671 1.00 0.00 O ATOM 1941 CB LYS A 131 6.842 12.630 4.694 1.00 0.00 C ATOM 1942 CG LYS A 131 5.869 13.607 4.030 1.00 0.00 C ATOM 1943 CD LYS A 131 6.479 15.007 3.934 1.00 0.00 C ATOM 1944 CE LYS A 131 6.952 15.302 2.509 1.00 0.00 C ATOM 1945 NZ LYS A 131 6.840 16.748 2.215 1.00 0.00 N ATOM 0 H LYS A 131 6.907 10.977 2.737 1.00 0.00 H new ATOM 0 HA LYS A 131 8.447 13.355 3.542 1.00 0.00 H new ATOM 0 HB2 LYS A 131 6.332 11.689 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 131 7.171 13.034 5.652 1.00 0.00 H new ATOM 0 HG2 LYS A 131 5.612 13.249 3.033 1.00 0.00 H new ATOM 0 HG3 LYS A 131 4.942 13.649 4.602 1.00 0.00 H new ATOM 0 HD2 LYS A 131 5.742 15.750 4.238 1.00 0.00 H new ATOM 0 HD3 LYS A 131 7.318 15.090 4.624 1.00 0.00 H new ATOM 0 HE2 LYS A 131 7.986 14.979 2.389 1.00 0.00 H new ATOM 0 HE3 LYS A 131 6.355 14.733 1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 7.165 16.931 1.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 5.848 17.046 2.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 7.428 17.285 2.884 1.00 0.00 H new ATOM 1959 N THR A 132 10.251 11.377 3.749 1.00 0.00 N ATOM 1960 CA THR A 132 11.398 10.663 4.282 1.00 0.00 C ATOM 1961 C THR A 132 11.662 11.082 5.729 1.00 0.00 C ATOM 1962 O THR A 132 11.824 12.267 6.016 1.00 0.00 O ATOM 1963 CB THR A 132 12.586 10.914 3.350 1.00 0.00 C ATOM 1964 OG1 THR A 132 12.723 12.332 3.337 1.00 0.00 O ATOM 1965 CG2 THR A 132 12.275 10.556 1.895 1.00 0.00 C ATOM 0 H THR A 132 10.346 11.671 2.777 1.00 0.00 H new ATOM 0 HA THR A 132 11.214 9.589 4.316 1.00 0.00 H new ATOM 0 HB THR A 132 13.444 10.334 3.691 1.00 0.00 H new ATOM 0 HG1 THR A 132 12.449 12.695 4.205 1.00 0.00 H new ATOM 0 HG21 THR A 132 13.151 10.753 1.277 1.00 0.00 H new ATOM 0 HG22 THR A 132 12.014 9.500 1.828 1.00 0.00 H new ATOM 0 HG23 THR A 132 11.439 11.160 1.542 1.00 0.00 H new ATOM 1973 N SER A 133 11.698 10.087 6.603 1.00 0.00 N ATOM 1974 CA SER A 133 11.940 10.337 8.014 1.00 0.00 C ATOM 1975 C SER A 133 12.001 9.013 8.777 1.00 0.00 C ATOM 1976 O SER A 133 11.024 8.610 9.407 1.00 0.00 O ATOM 1977 CB SER A 133 10.857 11.242 8.606 1.00 0.00 C ATOM 1978 OG SER A 133 11.413 12.361 9.291 1.00 0.00 O ATOM 0 H SER A 133 11.564 9.105 6.361 1.00 0.00 H new ATOM 0 HA SER A 133 12.897 10.849 8.112 1.00 0.00 H new ATOM 0 HB2 SER A 133 10.202 11.594 7.809 1.00 0.00 H new ATOM 0 HB3 SER A 133 10.239 10.666 9.295 1.00 0.00 H new ATOM 0 HG SER A 133 10.690 12.915 9.653 1.00 0.00 H new ATOM 1984 N GLY A 134 13.158 8.373 8.697 1.00 0.00 N ATOM 1985 CA GLY A 134 13.359 7.103 9.372 1.00 0.00 C ATOM 1986 C GLY A 134 14.348 7.248 10.530 1.00 0.00 C ATOM 1987 O GLY A 134 15.159 8.173 10.547 1.00 0.00 O ATOM 0 H GLY A 134 13.966 8.711 8.175 1.00 0.00 H new ATOM 0 HA2 GLY A 134 12.405 6.732 9.748 1.00 0.00 H new ATOM 0 HA3 GLY A 134 13.731 6.364 8.662 1.00 0.00 H new ATOM 1991 N PRO A 135 14.247 6.296 11.496 1.00 0.00 N ATOM 1992 CA PRO A 135 15.123 6.309 12.655 1.00 0.00 C ATOM 1993 C PRO A 135 16.530 5.834 12.285 1.00 0.00 C ATOM 1994 O PRO A 135 17.433 6.646 12.093 1.00 0.00 O ATOM 1995 CB PRO A 135 14.442 5.410 13.674 1.00 0.00 C ATOM 1996 CG PRO A 135 13.455 4.562 12.888 1.00 0.00 C ATOM 1997 CD PRO A 135 13.300 5.185 11.510 1.00 0.00 C ATOM 0 HA PRO A 135 15.268 7.310 13.061 1.00 0.00 H new ATOM 0 HB2 PRO A 135 15.170 4.784 14.191 1.00 0.00 H new ATOM 0 HB3 PRO A 135 13.931 6.000 14.435 1.00 0.00 H new ATOM 0 HG2 PRO A 135 13.814 3.536 12.805 1.00 0.00 H new ATOM 0 HG3 PRO A 135 12.493 4.523 13.400 1.00 0.00 H new ATOM 0 HD2 PRO A 135 13.523 4.465 10.723 1.00 0.00 H new ATOM 0 HD3 PRO A 135 12.280 5.532 11.345 1.00 0.00 H new ATOM 2005 N SER A 136 16.671 4.519 12.196 1.00 0.00 N ATOM 2006 CA SER A 136 17.952 3.926 11.852 1.00 0.00 C ATOM 2007 C SER A 136 18.480 4.536 10.552 1.00 0.00 C ATOM 2008 O SER A 136 19.676 4.792 10.423 1.00 0.00 O ATOM 2009 CB SER A 136 17.837 2.406 11.716 1.00 0.00 C ATOM 2010 OG SER A 136 16.682 2.023 10.975 1.00 0.00 O ATOM 0 H SER A 136 15.919 3.848 12.356 1.00 0.00 H new ATOM 0 HA SER A 136 18.654 4.140 12.658 1.00 0.00 H new ATOM 0 HB2 SER A 136 18.729 2.017 11.224 1.00 0.00 H new ATOM 0 HB3 SER A 136 17.798 1.955 12.708 1.00 0.00 H new ATOM 0 HG SER A 136 16.645 1.046 10.909 1.00 0.00 H new ATOM 2016 N SER A 137 17.561 4.753 9.622 1.00 0.00 N ATOM 2017 CA SER A 137 17.919 5.329 8.337 1.00 0.00 C ATOM 2018 C SER A 137 16.721 5.272 7.386 1.00 0.00 C ATOM 2019 O SER A 137 15.620 4.901 7.791 1.00 0.00 O ATOM 2020 CB SER A 137 19.118 4.604 7.723 1.00 0.00 C ATOM 2021 OG SER A 137 19.248 3.273 8.217 1.00 0.00 O ATOM 0 H SER A 137 16.570 4.540 9.733 1.00 0.00 H new ATOM 0 HA SER A 137 18.200 6.370 8.496 1.00 0.00 H new ATOM 0 HB2 SER A 137 19.010 4.579 6.639 1.00 0.00 H new ATOM 0 HB3 SER A 137 20.029 5.162 7.940 1.00 0.00 H new ATOM 0 HG SER A 137 20.024 2.844 7.800 1.00 0.00 H new ATOM 2027 N GLY A 138 16.976 5.645 6.141 1.00 0.00 N ATOM 2028 CA GLY A 138 15.933 5.641 5.130 1.00 0.00 C ATOM 2029 C GLY A 138 16.484 5.194 3.774 1.00 0.00 C ATOM 2030 O GLY A 138 16.273 4.056 3.359 1.00 0.00 O ATOM 0 H GLY A 138 17.890 5.952 5.809 1.00 0.00 H new ATOM 0 HA2 GLY A 138 15.127 4.974 5.437 1.00 0.00 H new ATOM 0 HA3 GLY A 138 15.504 6.639 5.041 1.00 0.00 H new TER 2034 GLY A 138