USER MOD reduce.3.24.130724 H: found=0, std=0, add=964, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 962 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 71 CYS SG : rot -170:sc= 0.171 USER MOD Set 1.2: A 116 SER OG : rot 167:sc= -0.175 USER MOD Set 2.1: A 22 THR OG1 : rot 87:sc= 0.257 USER MOD Set 2.2: A 93 CYS SG : rot 76:sc= -0.237 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 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= -1.17 X(o=-1.2,f=-1.5) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -124:sc= 0 (180deg=-0.075) USER MOD Single : A 37 GLN : amide:sc= -0.0421 X(o=-0.042,f=-0.2) USER MOD Single : A 38 MET CE :methyl -133:sc= -0.685 (180deg=-5.11!) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 HIS : no HD1:sc= -0.195 K(o=-0.19,f=-0.85) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 154:sc= 0.00851 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.793 K(o=-0.79,f=-2.2) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0104 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 SER OG : rot 48:sc= 0.502 USER MOD Single : A 69 ASN : amide:sc= -0.0629 X(o=-0.063,f=-0.51) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 52:sc= 0.447 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -138:sc= 0 (180deg=-0.342) USER MOD Single : A 84 ASN :FLIP amide:sc= -0.184 F(o=-0.98,f=-0.18) USER MOD Single : A 89 THR OG1 : rot 180:sc= -0.88 USER MOD Single : A 90 THR OG1 : rot -50:sc= 1.39 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 95 CYS SG : rot -34:sc= -0.905! USER MOD Single : A 98 GLN : amide:sc= -1.63 K(o=-1.6,f=-6!) USER MOD Single : A 105 MET CE :methyl 169:sc= -0.0014 (180deg=-0.163) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 80:sc= 0.514 USER MOD Single : A 113 GLN : amide:sc= -0.164 K(o=-0.16,f=-2.2!) USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 117 ASN :FLIP amide:sc= -2.9! F(o=-3.5,f=-2.9!) USER MOD Single : A 119 ASN : amide:sc=-0.00845 X(o=-0.0085,f=-0.4) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.326 -6.795 -9.231 1.00 0.00 N ATOM 2 CA GLY A 1 -10.304 -7.475 -10.005 1.00 0.00 C ATOM 3 C GLY A 1 -10.834 -8.711 -10.705 1.00 0.00 C ATOM 4 O GLY A 1 -11.209 -9.688 -10.056 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.914 -5.957 -8.772 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.099 -6.500 -9.861 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.698 -7.440 -8.505 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.897 -6.788 -10.746 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.482 -7.758 -9.347 1.00 0.00 H new ATOM 8 N SER A 2 -10.868 -8.668 -12.033 1.00 0.00 N ATOM 9 CA SER A 2 -11.362 -9.790 -12.822 1.00 0.00 C ATOM 10 C SER A 2 -10.234 -10.766 -13.143 1.00 0.00 C ATOM 11 O SER A 2 -10.333 -11.961 -12.861 1.00 0.00 O ATOM 12 CB SER A 2 -12.001 -9.288 -14.118 1.00 0.00 C ATOM 13 OG SER A 2 -12.416 -10.370 -14.934 1.00 0.00 O ATOM 0 H SER A 2 -10.559 -7.868 -12.585 1.00 0.00 H new ATOM 0 HA SER A 2 -12.115 -10.313 -12.233 1.00 0.00 H new ATOM 0 HB2 SER A 2 -12.857 -8.656 -13.884 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.288 -8.670 -14.663 1.00 0.00 H new ATOM 0 HG SER A 2 -12.823 -10.023 -15.755 1.00 0.00 H new ATOM 19 N SER A 3 -9.162 -10.249 -13.734 1.00 0.00 N ATOM 20 CA SER A 3 -8.016 -11.074 -14.098 1.00 0.00 C ATOM 21 C SER A 3 -7.312 -11.604 -12.852 1.00 0.00 C ATOM 22 O SER A 3 -7.297 -10.952 -11.809 1.00 0.00 O ATOM 23 CB SER A 3 -7.032 -10.270 -14.950 1.00 0.00 C ATOM 24 OG SER A 3 -6.392 -9.267 -14.181 1.00 0.00 O ATOM 0 H SER A 3 -9.063 -9.262 -13.971 1.00 0.00 H new ATOM 0 HA SER A 3 -8.379 -11.922 -14.678 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.284 -10.939 -15.376 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.561 -9.810 -15.785 1.00 0.00 H new ATOM 0 HG SER A 3 -5.767 -8.769 -14.748 1.00 0.00 H new ATOM 30 N GLY A 4 -6.729 -12.793 -12.971 1.00 0.00 N ATOM 31 CA GLY A 4 -6.031 -13.393 -11.849 1.00 0.00 C ATOM 32 C GLY A 4 -5.825 -14.884 -12.023 1.00 0.00 C ATOM 33 O GLY A 4 -6.457 -15.689 -11.338 1.00 0.00 O ATOM 0 H GLY A 4 -6.728 -13.351 -13.825 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -5.063 -12.908 -11.726 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.596 -13.212 -10.935 1.00 0.00 H new ATOM 37 N SER A 5 -4.941 -15.254 -12.944 1.00 0.00 N ATOM 38 CA SER A 5 -4.658 -16.660 -13.210 1.00 0.00 C ATOM 39 C SER A 5 -3.871 -17.283 -12.061 1.00 0.00 C ATOM 40 O SER A 5 -4.298 -18.274 -11.468 1.00 0.00 O ATOM 41 CB SER A 5 -3.875 -16.805 -14.517 1.00 0.00 C ATOM 42 OG SER A 5 -4.745 -16.793 -15.636 1.00 0.00 O ATOM 0 H SER A 5 -4.409 -14.600 -13.518 1.00 0.00 H new ATOM 0 HA SER A 5 -5.608 -17.186 -13.303 1.00 0.00 H new ATOM 0 HB2 SER A 5 -3.153 -15.993 -14.605 1.00 0.00 H new ATOM 0 HB3 SER A 5 -3.307 -17.735 -14.503 1.00 0.00 H new ATOM 0 HG SER A 5 -4.221 -16.885 -16.459 1.00 0.00 H new ATOM 48 N SER A 6 -2.720 -16.695 -11.753 1.00 0.00 N ATOM 49 CA SER A 6 -1.870 -17.194 -10.678 1.00 0.00 C ATOM 50 C SER A 6 -1.868 -16.229 -9.496 1.00 0.00 C ATOM 51 O SER A 6 -1.986 -15.017 -9.669 1.00 0.00 O ATOM 52 CB SER A 6 -0.441 -17.402 -11.183 1.00 0.00 C ATOM 53 OG SER A 6 -0.386 -18.448 -12.139 1.00 0.00 O ATOM 0 H SER A 6 -2.354 -15.872 -12.232 1.00 0.00 H new ATOM 0 HA SER A 6 -2.272 -18.151 -10.344 1.00 0.00 H new ATOM 0 HB2 SER A 6 -0.071 -16.478 -11.628 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.214 -17.637 -10.344 1.00 0.00 H new ATOM 0 HG SER A 6 0.537 -18.561 -12.448 1.00 0.00 H new ATOM 59 N GLY A 7 -1.732 -16.778 -8.292 1.00 0.00 N ATOM 60 CA GLY A 7 -1.716 -15.954 -7.098 1.00 0.00 C ATOM 61 C GLY A 7 -2.922 -15.039 -7.010 1.00 0.00 C ATOM 62 O GLY A 7 -2.831 -13.851 -7.320 1.00 0.00 O ATOM 0 H GLY A 7 -1.633 -17.779 -8.123 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -1.685 -16.596 -6.218 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.806 -15.354 -7.087 1.00 0.00 H new ATOM 66 N ASP A 8 -4.053 -15.592 -6.588 1.00 0.00 N ATOM 67 CA ASP A 8 -5.282 -14.818 -6.461 1.00 0.00 C ATOM 68 C ASP A 8 -5.062 -13.590 -5.583 1.00 0.00 C ATOM 69 O ASP A 8 -4.972 -13.697 -4.361 1.00 0.00 O ATOM 70 CB ASP A 8 -6.398 -15.685 -5.877 1.00 0.00 C ATOM 71 CG ASP A 8 -5.908 -16.583 -4.758 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.352 -17.659 -5.062 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.081 -16.211 -3.578 1.00 0.00 O ATOM 0 H ASP A 8 -4.145 -16.574 -6.328 1.00 0.00 H new ATOM 0 HA ASP A 8 -5.576 -14.483 -7.456 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.194 -15.043 -5.501 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -6.830 -16.298 -6.668 1.00 0.00 H new ATOM 78 N ALA A 9 -4.976 -12.424 -6.216 1.00 0.00 N ATOM 79 CA ALA A 9 -4.768 -11.176 -5.493 1.00 0.00 C ATOM 80 C ALA A 9 -5.991 -10.272 -5.594 1.00 0.00 C ATOM 81 O ALA A 9 -6.441 -9.942 -6.691 1.00 0.00 O ATOM 82 CB ALA A 9 -3.534 -10.459 -6.021 1.00 0.00 C ATOM 0 H ALA A 9 -5.047 -12.318 -7.228 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.613 -11.416 -4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.391 -9.528 -5.472 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -2.659 -11.096 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.667 -10.238 -7.080 1.00 0.00 H new ATOM 88 N ALA A 10 -6.525 -9.874 -4.444 1.00 0.00 N ATOM 89 CA ALA A 10 -7.696 -9.007 -4.404 1.00 0.00 C ATOM 90 C ALA A 10 -7.542 -7.833 -5.365 1.00 0.00 C ATOM 91 O ALA A 10 -8.440 -7.543 -6.156 1.00 0.00 O ATOM 92 CB ALA A 10 -7.933 -8.505 -2.988 1.00 0.00 C ATOM 0 H ALA A 10 -6.165 -10.138 -3.527 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.561 -9.591 -4.720 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.811 -7.859 -2.973 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -8.096 -9.354 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -7.062 -7.942 -2.651 1.00 0.00 H new ATOM 98 N LYS A 11 -6.399 -7.160 -5.292 1.00 0.00 N ATOM 99 CA LYS A 11 -6.126 -6.018 -6.156 1.00 0.00 C ATOM 100 C LYS A 11 -4.631 -5.885 -6.427 1.00 0.00 C ATOM 101 O LYS A 11 -3.809 -6.464 -5.717 1.00 0.00 O ATOM 102 CB LYS A 11 -6.655 -4.732 -5.517 1.00 0.00 C ATOM 103 CG LYS A 11 -6.623 -3.532 -6.448 1.00 0.00 C ATOM 104 CD LYS A 11 -7.736 -2.548 -6.128 1.00 0.00 C ATOM 105 CE LYS A 11 -7.590 -1.262 -6.927 1.00 0.00 C ATOM 106 NZ LYS A 11 -8.019 -1.436 -8.342 1.00 0.00 N ATOM 0 H LYS A 11 -5.646 -7.386 -4.642 1.00 0.00 H new ATOM 0 HA LYS A 11 -6.636 -6.182 -7.105 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.680 -4.896 -5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -6.064 -4.508 -4.629 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.658 -3.031 -6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.719 -3.869 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -8.701 -3.005 -6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -7.725 -2.319 -5.062 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.184 -0.476 -6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -6.551 -0.934 -6.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -7.904 -0.537 -8.853 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -7.435 -2.168 -8.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -9.018 -1.724 -8.369 1.00 0.00 H new ATOM 120 N GLU A 12 -4.287 -5.120 -7.458 1.00 0.00 N ATOM 121 CA GLU A 12 -2.890 -4.912 -7.821 1.00 0.00 C ATOM 122 C GLU A 12 -2.744 -3.719 -8.762 1.00 0.00 C ATOM 123 O GLU A 12 -3.713 -3.281 -9.381 1.00 0.00 O ATOM 124 CB GLU A 12 -2.319 -6.169 -8.481 1.00 0.00 C ATOM 125 CG GLU A 12 -3.189 -6.718 -9.599 1.00 0.00 C ATOM 126 CD GLU A 12 -2.832 -8.144 -9.970 1.00 0.00 C ATOM 127 OE1 GLU A 12 -2.644 -8.966 -9.048 1.00 0.00 O ATOM 128 OE2 GLU A 12 -2.740 -8.438 -11.180 1.00 0.00 O ATOM 0 H GLU A 12 -4.956 -4.634 -8.056 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.331 -4.704 -6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.330 -5.943 -8.879 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.188 -6.940 -7.722 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -4.235 -6.677 -9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -3.088 -6.082 -10.478 1.00 0.00 H new ATOM 135 N GLY A 13 -1.525 -3.198 -8.863 1.00 0.00 N ATOM 136 CA GLY A 13 -1.274 -2.061 -9.729 1.00 0.00 C ATOM 137 C GLY A 13 -0.103 -1.221 -9.258 1.00 0.00 C ATOM 138 O GLY A 13 0.366 -1.375 -8.130 1.00 0.00 O ATOM 0 H GLY A 13 -0.707 -3.543 -8.361 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.079 -2.415 -10.741 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.168 -1.439 -9.775 1.00 0.00 H new ATOM 142 N TRP A 14 0.370 -0.331 -10.123 1.00 0.00 N ATOM 143 CA TRP A 14 1.495 0.536 -9.789 1.00 0.00 C ATOM 144 C TRP A 14 1.076 1.611 -8.793 1.00 0.00 C ATOM 145 O TRP A 14 0.047 2.265 -8.966 1.00 0.00 O ATOM 146 CB TRP A 14 2.057 1.185 -11.055 1.00 0.00 C ATOM 147 CG TRP A 14 2.874 0.247 -11.891 1.00 0.00 C ATOM 148 CD1 TRP A 14 2.434 -0.511 -12.939 1.00 0.00 C ATOM 149 CD2 TRP A 14 4.271 -0.033 -11.749 1.00 0.00 C ATOM 150 NE1 TRP A 14 3.473 -1.245 -13.456 1.00 0.00 N ATOM 151 CE2 TRP A 14 4.611 -0.969 -12.745 1.00 0.00 C ATOM 152 CE3 TRP A 14 5.267 0.418 -10.880 1.00 0.00 C ATOM 153 CZ2 TRP A 14 5.905 -1.462 -12.892 1.00 0.00 C ATOM 154 CZ3 TRP A 14 6.551 -0.073 -11.026 1.00 0.00 C ATOM 155 CH2 TRP A 14 6.861 -1.004 -12.026 1.00 0.00 C ATOM 0 H TRP A 14 -0.007 -0.191 -11.060 1.00 0.00 H new ATOM 0 HA TRP A 14 2.271 -0.076 -9.328 1.00 0.00 H new ATOM 0 HB2 TRP A 14 1.232 1.570 -11.654 1.00 0.00 H new ATOM 0 HB3 TRP A 14 2.672 2.040 -10.774 1.00 0.00 H new ATOM 0 HD1 TRP A 14 1.419 -0.530 -13.307 1.00 0.00 H new ATOM 0 HE1 TRP A 14 3.408 -1.891 -14.242 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.038 1.137 -10.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 6.146 -2.180 -13.662 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.328 0.267 -10.358 1.00 0.00 H new ATOM 0 HH2 TRP A 14 7.874 -1.367 -12.115 1.00 0.00 H new ATOM 166 N LEU A 15 1.880 1.791 -7.751 1.00 0.00 N ATOM 167 CA LEU A 15 1.593 2.789 -6.726 1.00 0.00 C ATOM 168 C LEU A 15 2.863 3.185 -5.980 1.00 0.00 C ATOM 169 O LEU A 15 3.719 2.344 -5.701 1.00 0.00 O ATOM 170 CB LEU A 15 0.554 2.252 -5.740 1.00 0.00 C ATOM 171 CG LEU A 15 -0.799 1.861 -6.336 1.00 0.00 C ATOM 172 CD1 LEU A 15 -1.667 1.181 -5.288 1.00 0.00 C ATOM 173 CD2 LEU A 15 -1.504 3.084 -6.903 1.00 0.00 C ATOM 0 H LEU A 15 2.736 1.259 -7.593 1.00 0.00 H new ATOM 0 HA LEU A 15 1.193 3.675 -7.219 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.974 1.379 -5.240 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.386 3.008 -4.973 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.627 1.156 -7.149 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.626 0.910 -5.730 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.166 0.282 -4.928 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.832 1.863 -4.454 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.465 2.788 -7.323 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -1.664 3.813 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -0.888 3.529 -7.684 1.00 0.00 H new ATOM 185 N HIS A 16 2.978 4.469 -5.658 1.00 0.00 N ATOM 186 CA HIS A 16 4.143 4.976 -4.941 1.00 0.00 C ATOM 187 C HIS A 16 4.068 4.617 -3.460 1.00 0.00 C ATOM 188 O HIS A 16 3.272 5.185 -2.713 1.00 0.00 O ATOM 189 CB HIS A 16 4.249 6.493 -5.106 1.00 0.00 C ATOM 190 CG HIS A 16 4.558 6.923 -6.506 1.00 0.00 C ATOM 191 ND1 HIS A 16 5.777 6.699 -7.111 1.00 0.00 N ATOM 192 CD2 HIS A 16 3.798 7.567 -7.423 1.00 0.00 C ATOM 193 CE1 HIS A 16 5.754 7.187 -8.338 1.00 0.00 C ATOM 194 NE2 HIS A 16 4.565 7.719 -8.552 1.00 0.00 N ATOM 0 H HIS A 16 2.279 5.178 -5.882 1.00 0.00 H new ATOM 0 HA HIS A 16 5.032 4.509 -5.365 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.311 6.951 -4.793 1.00 0.00 H new ATOM 0 HB3 HIS A 16 5.025 6.869 -4.440 1.00 0.00 H new ATOM 0 HD2 HIS A 16 2.779 7.899 -7.291 1.00 0.00 H new ATOM 0 HE1 HIS A 16 6.569 7.156 -9.046 1.00 0.00 H new ATOM 0 HE2 HIS A 16 4.265 8.170 -9.416 1.00 0.00 H new ATOM 203 N PHE A 17 4.902 3.670 -3.043 1.00 0.00 N ATOM 204 CA PHE A 17 4.929 3.234 -1.652 1.00 0.00 C ATOM 205 C PHE A 17 5.993 3.993 -0.865 1.00 0.00 C ATOM 206 O PHE A 17 7.191 3.799 -1.072 1.00 0.00 O ATOM 207 CB PHE A 17 5.196 1.729 -1.572 1.00 0.00 C ATOM 208 CG PHE A 17 5.681 1.277 -0.225 1.00 0.00 C ATOM 209 CD1 PHE A 17 4.800 1.154 0.837 1.00 0.00 C ATOM 210 CD2 PHE A 17 7.018 0.976 -0.020 1.00 0.00 C ATOM 211 CE1 PHE A 17 5.242 0.737 2.079 1.00 0.00 C ATOM 212 CE2 PHE A 17 7.466 0.559 1.219 1.00 0.00 C ATOM 213 CZ PHE A 17 6.577 0.440 2.270 1.00 0.00 C ATOM 0 H PHE A 17 5.568 3.190 -3.648 1.00 0.00 H new ATOM 0 HA PHE A 17 3.955 3.447 -1.211 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.280 1.192 -1.818 1.00 0.00 H new ATOM 0 HB3 PHE A 17 5.936 1.459 -2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 17 3.755 1.387 0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.718 1.068 -0.838 1.00 0.00 H new ATOM 0 HE1 PHE A 17 4.544 0.644 2.898 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.510 0.326 1.366 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.926 0.115 3.239 1.00 0.00 H new ATOM 223 N ARG A 18 5.546 4.858 0.039 1.00 0.00 N ATOM 224 CA ARG A 18 6.459 5.649 0.857 1.00 0.00 C ATOM 225 C ARG A 18 6.115 5.516 2.338 1.00 0.00 C ATOM 226 O ARG A 18 5.175 6.133 2.840 1.00 0.00 O ATOM 227 CB ARG A 18 6.407 7.120 0.440 1.00 0.00 C ATOM 228 CG ARG A 18 7.404 7.997 1.179 1.00 0.00 C ATOM 229 CD ARG A 18 7.168 9.472 0.892 1.00 0.00 C ATOM 230 NE ARG A 18 8.192 10.318 1.499 1.00 0.00 N ATOM 231 CZ ARG A 18 8.266 10.560 2.803 1.00 0.00 C ATOM 232 NH1 ARG A 18 7.381 10.023 3.632 1.00 0.00 N ATOM 233 NH2 ARG A 18 9.226 11.342 3.281 1.00 0.00 N ATOM 0 H ARG A 18 4.558 5.029 0.224 1.00 0.00 H new ATOM 0 HA ARG A 18 7.469 5.270 0.701 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.596 7.192 -0.631 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.401 7.503 0.613 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.325 7.816 2.251 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.418 7.725 0.884 1.00 0.00 H new ATOM 0 HD2 ARG A 18 7.156 9.634 -0.186 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.187 9.762 1.269 1.00 0.00 H new ATOM 0 HE ARG A 18 8.888 10.746 0.889 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.641 9.422 3.269 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.440 10.211 4.633 1.00 0.00 H new ATOM 0 HH21 ARG A 18 9.908 11.758 2.647 1.00 0.00 H new ATOM 0 HH22 ARG A 18 9.282 11.527 4.283 1.00 0.00 H new ATOM 247 N PRO A 19 6.893 4.692 3.055 1.00 0.00 N ATOM 248 CA PRO A 19 6.691 4.459 4.488 1.00 0.00 C ATOM 249 C PRO A 19 7.042 5.682 5.329 1.00 0.00 C ATOM 250 O PRO A 19 8.020 6.378 5.053 1.00 0.00 O ATOM 251 CB PRO A 19 7.647 3.304 4.798 1.00 0.00 C ATOM 252 CG PRO A 19 8.709 3.402 3.758 1.00 0.00 C ATOM 253 CD PRO A 19 8.032 3.925 2.522 1.00 0.00 C ATOM 0 HA PRO A 19 5.649 4.242 4.723 1.00 0.00 H new ATOM 0 HB2 PRO A 19 8.065 3.394 5.801 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.135 2.343 4.752 1.00 0.00 H new ATOM 0 HG2 PRO A 19 9.508 4.071 4.078 1.00 0.00 H new ATOM 0 HG3 PRO A 19 9.164 2.429 3.572 1.00 0.00 H new ATOM 0 HD2 PRO A 19 8.700 4.554 1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 19 7.702 3.115 1.872 1.00 0.00 H new ATOM 261 N LEU A 20 6.240 5.937 6.357 1.00 0.00 N ATOM 262 CA LEU A 20 6.467 7.076 7.239 1.00 0.00 C ATOM 263 C LEU A 20 7.723 6.872 8.080 1.00 0.00 C ATOM 264 O LEU A 20 8.589 7.745 8.143 1.00 0.00 O ATOM 265 CB LEU A 20 5.257 7.288 8.152 1.00 0.00 C ATOM 266 CG LEU A 20 4.144 8.176 7.595 1.00 0.00 C ATOM 267 CD1 LEU A 20 4.598 9.627 7.537 1.00 0.00 C ATOM 268 CD2 LEU A 20 3.715 7.694 6.217 1.00 0.00 C ATOM 0 H LEU A 20 5.427 5.371 6.600 1.00 0.00 H new ATOM 0 HA LEU A 20 6.607 7.962 6.619 1.00 0.00 H new ATOM 0 HB2 LEU A 20 4.832 6.313 8.390 1.00 0.00 H new ATOM 0 HB3 LEU A 20 5.606 7.722 9.089 1.00 0.00 H new ATOM 0 HG LEU A 20 3.285 8.111 8.263 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.793 10.244 7.138 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.854 9.968 8.540 1.00 0.00 H new ATOM 0 HD13 LEU A 20 5.472 9.709 6.891 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.922 8.338 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 20 4.567 7.728 5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 20 3.348 6.670 6.288 1.00 0.00 H new ATOM 280 N VAL A 21 7.816 5.713 8.724 1.00 0.00 N ATOM 281 CA VAL A 21 8.968 5.392 9.558 1.00 0.00 C ATOM 282 C VAL A 21 8.943 3.931 9.991 1.00 0.00 C ATOM 283 O VAL A 21 7.877 3.327 10.119 1.00 0.00 O ATOM 284 CB VAL A 21 9.020 6.287 10.811 1.00 0.00 C ATOM 285 CG1 VAL A 21 8.068 5.767 11.878 1.00 0.00 C ATOM 286 CG2 VAL A 21 10.441 6.370 11.347 1.00 0.00 C ATOM 0 H VAL A 21 7.107 4.981 8.684 1.00 0.00 H new ATOM 0 HA VAL A 21 9.857 5.573 8.954 1.00 0.00 H new ATOM 0 HB VAL A 21 8.702 7.292 10.533 1.00 0.00 H new ATOM 0 HG11 VAL A 21 8.118 6.411 12.756 1.00 0.00 H new ATOM 0 HG12 VAL A 21 7.050 5.764 11.488 1.00 0.00 H new ATOM 0 HG13 VAL A 21 8.353 4.752 12.156 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.459 7.006 12.232 1.00 0.00 H new ATOM 0 HG22 VAL A 21 10.789 5.371 11.611 1.00 0.00 H new ATOM 0 HG23 VAL A 21 11.094 6.792 10.583 1.00 0.00 H new ATOM 296 N THR A 22 10.125 3.365 10.218 1.00 0.00 N ATOM 297 CA THR A 22 10.239 1.974 10.636 1.00 0.00 C ATOM 298 C THR A 22 11.666 1.642 11.057 1.00 0.00 C ATOM 299 O THR A 22 12.620 2.280 10.610 1.00 0.00 O ATOM 300 CB THR A 22 9.811 1.012 9.512 1.00 0.00 C ATOM 301 OG1 THR A 22 9.903 -0.343 9.965 1.00 0.00 O ATOM 302 CG2 THR A 22 10.681 1.200 8.278 1.00 0.00 C ATOM 0 H THR A 22 11.017 3.850 10.119 1.00 0.00 H new ATOM 0 HA THR A 22 9.572 1.845 11.488 1.00 0.00 H new ATOM 0 HB THR A 22 8.778 1.236 9.246 1.00 0.00 H new ATOM 0 HG1 THR A 22 9.066 -0.598 10.406 1.00 0.00 H new ATOM 0 HG21 THR A 22 10.360 0.510 7.498 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.585 2.224 7.918 1.00 0.00 H new ATOM 0 HG23 THR A 22 11.722 1.001 8.533 1.00 0.00 H new ATOM 310 N ASP A 23 11.806 0.641 11.919 1.00 0.00 N ATOM 311 CA ASP A 23 13.118 0.223 12.399 1.00 0.00 C ATOM 312 C ASP A 23 13.734 1.292 13.296 1.00 0.00 C ATOM 313 O ASP A 23 14.929 1.578 13.209 1.00 0.00 O ATOM 314 CB ASP A 23 14.047 -0.069 11.219 1.00 0.00 C ATOM 315 CG ASP A 23 15.078 -1.132 11.543 1.00 0.00 C ATOM 316 OD1 ASP A 23 14.695 -2.176 12.112 1.00 0.00 O ATOM 317 OD2 ASP A 23 16.268 -0.921 11.227 1.00 0.00 O ATOM 0 H ASP A 23 11.027 0.104 12.300 1.00 0.00 H new ATOM 0 HA ASP A 23 12.991 -0.687 12.985 1.00 0.00 H new ATOM 0 HB2 ASP A 23 13.453 -0.392 10.364 1.00 0.00 H new ATOM 0 HB3 ASP A 23 14.556 0.849 10.925 1.00 0.00 H new ATOM 322 N LYS A 24 12.912 1.880 14.157 1.00 0.00 N ATOM 323 CA LYS A 24 13.374 2.918 15.071 1.00 0.00 C ATOM 324 C LYS A 24 14.693 2.518 15.725 1.00 0.00 C ATOM 325 O LYS A 24 15.099 1.358 15.669 1.00 0.00 O ATOM 326 CB LYS A 24 12.320 3.186 16.147 1.00 0.00 C ATOM 327 CG LYS A 24 11.440 1.984 16.449 1.00 0.00 C ATOM 328 CD LYS A 24 10.904 2.029 17.870 1.00 0.00 C ATOM 329 CE LYS A 24 10.220 0.724 18.250 1.00 0.00 C ATOM 330 NZ LYS A 24 11.186 -0.269 18.796 1.00 0.00 N ATOM 0 H LYS A 24 11.921 1.655 14.242 1.00 0.00 H new ATOM 0 HA LYS A 24 13.535 3.829 14.495 1.00 0.00 H new ATOM 0 HB2 LYS A 24 12.820 3.499 17.064 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.690 4.016 15.828 1.00 0.00 H new ATOM 0 HG2 LYS A 24 10.608 1.955 15.746 1.00 0.00 H new ATOM 0 HG3 LYS A 24 12.012 1.067 16.304 1.00 0.00 H new ATOM 0 HD2 LYS A 24 11.722 2.227 18.562 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.197 2.853 17.967 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.445 0.922 18.991 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.724 0.305 17.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.682 -1.144 19.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.911 -0.477 18.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.641 0.120 19.646 1.00 0.00 H new ATOM 344 N GLY A 25 15.358 3.488 16.347 1.00 0.00 N ATOM 345 CA GLY A 25 16.623 3.216 17.004 1.00 0.00 C ATOM 346 C GLY A 25 17.687 2.735 16.037 1.00 0.00 C ATOM 347 O GLY A 25 18.420 1.790 16.329 1.00 0.00 O ATOM 0 H GLY A 25 15.043 4.456 16.407 1.00 0.00 H new ATOM 0 HA2 GLY A 25 16.972 4.120 17.503 1.00 0.00 H new ATOM 0 HA3 GLY A 25 16.473 2.463 17.778 1.00 0.00 H new ATOM 351 N LYS A 26 17.771 3.386 14.882 1.00 0.00 N ATOM 352 CA LYS A 26 18.752 3.020 13.867 1.00 0.00 C ATOM 353 C LYS A 26 19.212 4.247 13.087 1.00 0.00 C ATOM 354 O LYS A 26 18.430 5.166 12.841 1.00 0.00 O ATOM 355 CB LYS A 26 18.162 1.983 12.908 1.00 0.00 C ATOM 356 CG LYS A 26 19.200 1.054 12.303 1.00 0.00 C ATOM 357 CD LYS A 26 19.753 0.087 13.337 1.00 0.00 C ATOM 358 CE LYS A 26 20.873 -0.765 12.761 1.00 0.00 C ATOM 359 NZ LYS A 26 21.120 -1.984 13.580 1.00 0.00 N ATOM 0 H LYS A 26 17.171 4.170 14.625 1.00 0.00 H new ATOM 0 HA LYS A 26 19.616 2.588 14.372 1.00 0.00 H new ATOM 0 HB2 LYS A 26 17.421 1.388 13.441 1.00 0.00 H new ATOM 0 HB3 LYS A 26 17.637 2.500 12.105 1.00 0.00 H new ATOM 0 HG2 LYS A 26 18.753 0.494 11.482 1.00 0.00 H new ATOM 0 HG3 LYS A 26 20.015 1.643 11.881 1.00 0.00 H new ATOM 0 HD2 LYS A 26 20.124 0.645 14.197 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.952 -0.559 13.698 1.00 0.00 H new ATOM 0 HE2 LYS A 26 20.620 -1.057 11.742 1.00 0.00 H new ATOM 0 HE3 LYS A 26 21.787 -0.174 12.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 21.890 -2.538 13.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 21.387 -1.705 14.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 20.256 -2.561 13.613 1.00 0.00 H new ATOM 373 N ARG A 27 20.483 4.255 12.699 1.00 0.00 N ATOM 374 CA ARG A 27 21.045 5.369 11.946 1.00 0.00 C ATOM 375 C ARG A 27 20.399 5.475 10.567 1.00 0.00 C ATOM 376 O ARG A 27 20.785 4.771 9.634 1.00 0.00 O ATOM 377 CB ARG A 27 22.559 5.202 11.800 1.00 0.00 C ATOM 378 CG ARG A 27 23.337 5.590 13.046 1.00 0.00 C ATOM 379 CD ARG A 27 23.586 7.089 13.103 1.00 0.00 C ATOM 380 NE ARG A 27 22.461 7.809 13.694 1.00 0.00 N ATOM 381 CZ ARG A 27 22.288 9.121 13.582 1.00 0.00 C ATOM 382 NH1 ARG A 27 23.161 9.853 12.905 1.00 0.00 N ATOM 383 NH2 ARG A 27 21.238 9.703 14.148 1.00 0.00 N ATOM 0 H ARG A 27 21.143 3.502 12.894 1.00 0.00 H new ATOM 0 HA ARG A 27 20.839 6.287 12.496 1.00 0.00 H new ATOM 0 HB2 ARG A 27 22.779 4.163 11.553 1.00 0.00 H new ATOM 0 HB3 ARG A 27 22.904 5.809 10.963 1.00 0.00 H new ATOM 0 HG2 ARG A 27 22.785 5.278 13.933 1.00 0.00 H new ATOM 0 HG3 ARG A 27 24.290 5.061 13.061 1.00 0.00 H new ATOM 0 HD2 ARG A 27 24.487 7.285 13.684 1.00 0.00 H new ATOM 0 HD3 ARG A 27 23.768 7.465 12.096 1.00 0.00 H new ATOM 0 HE ARG A 27 21.770 7.275 14.222 1.00 0.00 H new ATOM 0 HH11 ARG A 27 23.969 9.409 12.468 1.00 0.00 H new ATOM 0 HH12 ARG A 27 23.025 10.860 12.821 1.00 0.00 H new ATOM 0 HH21 ARG A 27 20.564 9.143 14.669 1.00 0.00 H new ATOM 0 HH22 ARG A 27 21.105 10.711 14.062 1.00 0.00 H new ATOM 397 N VAL A 28 19.414 6.359 10.448 1.00 0.00 N ATOM 398 CA VAL A 28 18.715 6.558 9.184 1.00 0.00 C ATOM 399 C VAL A 28 17.731 7.719 9.277 1.00 0.00 C ATOM 400 O VAL A 28 17.274 8.073 10.362 1.00 0.00 O ATOM 401 CB VAL A 28 17.955 5.288 8.757 1.00 0.00 C ATOM 402 CG1 VAL A 28 16.896 4.928 9.787 1.00 0.00 C ATOM 403 CG2 VAL A 28 17.331 5.478 7.383 1.00 0.00 C ATOM 0 H VAL A 28 19.082 6.949 11.211 1.00 0.00 H new ATOM 0 HA VAL A 28 19.473 6.787 8.436 1.00 0.00 H new ATOM 0 HB VAL A 28 18.665 4.463 8.698 1.00 0.00 H new ATOM 0 HG11 VAL A 28 16.369 4.028 9.468 1.00 0.00 H new ATOM 0 HG12 VAL A 28 17.372 4.748 10.751 1.00 0.00 H new ATOM 0 HG13 VAL A 28 16.186 5.750 9.881 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.798 4.571 7.097 1.00 0.00 H new ATOM 0 HG22 VAL A 28 16.633 6.315 7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 28 18.114 5.684 6.653 1.00 0.00 H new ATOM 413 N GLY A 29 17.408 8.308 8.129 1.00 0.00 N ATOM 414 CA GLY A 29 16.480 9.423 8.103 1.00 0.00 C ATOM 415 C GLY A 29 17.004 10.595 7.297 1.00 0.00 C ATOM 416 O GLY A 29 17.984 11.232 7.680 1.00 0.00 O ATOM 0 H GLY A 29 17.773 8.033 7.217 1.00 0.00 H new ATOM 0 HA2 GLY A 29 15.531 9.092 7.682 1.00 0.00 H new ATOM 0 HA3 GLY A 29 16.280 9.749 9.124 1.00 0.00 H new ATOM 420 N GLY A 30 16.349 10.879 6.175 1.00 0.00 N ATOM 421 CA GLY A 30 16.771 11.981 5.329 1.00 0.00 C ATOM 422 C GLY A 30 17.673 11.530 4.197 1.00 0.00 C ATOM 423 O GLY A 30 17.554 12.012 3.070 1.00 0.00 O ATOM 0 H GLY A 30 15.535 10.366 5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 30 15.892 12.474 4.914 1.00 0.00 H new ATOM 0 HA3 GLY A 30 17.295 12.720 5.935 1.00 0.00 H new ATOM 427 N SER A 31 18.578 10.604 4.496 1.00 0.00 N ATOM 428 CA SER A 31 19.508 10.093 3.496 1.00 0.00 C ATOM 429 C SER A 31 18.908 8.901 2.756 1.00 0.00 C ATOM 430 O SER A 31 19.555 7.865 2.600 1.00 0.00 O ATOM 431 CB SER A 31 20.827 9.687 4.155 1.00 0.00 C ATOM 432 OG SER A 31 21.912 9.825 3.253 1.00 0.00 O ATOM 0 H SER A 31 18.687 10.192 5.423 1.00 0.00 H new ATOM 0 HA SER A 31 19.700 10.888 2.775 1.00 0.00 H new ATOM 0 HB2 SER A 31 21.002 10.304 5.036 1.00 0.00 H new ATOM 0 HB3 SER A 31 20.763 8.654 4.497 1.00 0.00 H new ATOM 0 HG SER A 31 22.744 9.561 3.699 1.00 0.00 H new ATOM 438 N ILE A 32 17.669 9.056 2.304 1.00 0.00 N ATOM 439 CA ILE A 32 16.982 7.993 1.580 1.00 0.00 C ATOM 440 C ILE A 32 16.132 8.560 0.447 1.00 0.00 C ATOM 441 O ILE A 32 15.485 9.596 0.602 1.00 0.00 O ATOM 442 CB ILE A 32 16.082 7.165 2.516 1.00 0.00 C ATOM 443 CG1 ILE A 32 16.925 6.481 3.595 1.00 0.00 C ATOM 444 CG2 ILE A 32 15.295 6.135 1.719 1.00 0.00 C ATOM 445 CD1 ILE A 32 16.116 5.613 4.533 1.00 0.00 C ATOM 0 H ILE A 32 17.120 9.907 2.426 1.00 0.00 H new ATOM 0 HA ILE A 32 17.753 7.345 1.164 1.00 0.00 H new ATOM 0 HB ILE A 32 15.375 7.836 3.004 1.00 0.00 H new ATOM 0 HG12 ILE A 32 17.689 5.869 3.115 1.00 0.00 H new ATOM 0 HG13 ILE A 32 17.445 7.243 4.176 1.00 0.00 H new ATOM 0 HG21 ILE A 32 14.664 5.558 2.394 1.00 0.00 H new ATOM 0 HG22 ILE A 32 14.671 6.643 0.984 1.00 0.00 H new ATOM 0 HG23 ILE A 32 15.986 5.465 1.207 1.00 0.00 H new ATOM 0 HD11 ILE A 32 16.778 5.160 5.271 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.370 6.224 5.041 1.00 0.00 H new ATOM 0 HD13 ILE A 32 15.617 4.829 3.964 1.00 0.00 H new ATOM 457 N ARG A 33 16.138 7.873 -0.690 1.00 0.00 N ATOM 458 CA ARG A 33 15.367 8.307 -1.849 1.00 0.00 C ATOM 459 C ARG A 33 13.913 8.571 -1.467 1.00 0.00 C ATOM 460 O ARG A 33 13.384 8.003 -0.512 1.00 0.00 O ATOM 461 CB ARG A 33 15.432 7.253 -2.956 1.00 0.00 C ATOM 462 CG ARG A 33 14.467 6.096 -2.752 1.00 0.00 C ATOM 463 CD ARG A 33 14.389 5.212 -3.987 1.00 0.00 C ATOM 464 NE ARG A 33 14.105 3.821 -3.646 1.00 0.00 N ATOM 465 CZ ARG A 33 15.014 2.982 -3.162 1.00 0.00 C ATOM 466 NH1 ARG A 33 16.259 3.392 -2.962 1.00 0.00 N ATOM 467 NH2 ARG A 33 14.679 1.730 -2.877 1.00 0.00 N ATOM 0 H ARG A 33 16.668 7.014 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 33 15.803 9.236 -2.216 1.00 0.00 H new ATOM 0 HB2 ARG A 33 15.218 7.729 -3.913 1.00 0.00 H new ATOM 0 HB3 ARG A 33 16.448 6.862 -3.015 1.00 0.00 H new ATOM 0 HG2 ARG A 33 14.786 5.501 -1.897 1.00 0.00 H new ATOM 0 HG3 ARG A 33 13.476 6.484 -2.518 1.00 0.00 H new ATOM 0 HD2 ARG A 33 13.613 5.588 -4.654 1.00 0.00 H new ATOM 0 HD3 ARG A 33 15.331 5.267 -4.532 1.00 0.00 H new ATOM 0 HE ARG A 33 13.156 3.474 -3.787 1.00 0.00 H new ATOM 0 HH11 ARG A 33 16.521 4.354 -3.180 1.00 0.00 H new ATOM 0 HH12 ARG A 33 16.955 2.746 -2.590 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.722 1.411 -3.030 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.378 1.087 -2.505 1.00 0.00 H new ATOM 481 N PRO A 34 13.252 9.453 -2.230 1.00 0.00 N ATOM 482 CA PRO A 34 11.851 9.813 -1.991 1.00 0.00 C ATOM 483 C PRO A 34 10.896 8.669 -2.315 1.00 0.00 C ATOM 484 O PRO A 34 11.311 7.516 -2.432 1.00 0.00 O ATOM 485 CB PRO A 34 11.619 10.989 -2.944 1.00 0.00 C ATOM 486 CG PRO A 34 12.617 10.797 -4.032 1.00 0.00 C ATOM 487 CD PRO A 34 13.820 10.168 -3.385 1.00 0.00 C ATOM 0 HA PRO A 34 11.664 10.052 -0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 34 10.602 10.987 -3.335 1.00 0.00 H new ATOM 0 HB3 PRO A 34 11.764 11.943 -2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 34 12.218 10.157 -4.819 1.00 0.00 H new ATOM 0 HG3 PRO A 34 12.876 11.749 -4.496 1.00 0.00 H new ATOM 0 HD2 PRO A 34 14.333 9.488 -4.066 1.00 0.00 H new ATOM 0 HD3 PRO A 34 14.548 10.918 -3.075 1.00 0.00 H new ATOM 495 N TRP A 35 9.616 8.995 -2.459 1.00 0.00 N ATOM 496 CA TRP A 35 8.603 7.994 -2.770 1.00 0.00 C ATOM 497 C TRP A 35 9.185 6.878 -3.630 1.00 0.00 C ATOM 498 O TRP A 35 9.922 7.135 -4.583 1.00 0.00 O ATOM 499 CB TRP A 35 7.419 8.643 -3.489 1.00 0.00 C ATOM 500 CG TRP A 35 6.673 9.625 -2.637 1.00 0.00 C ATOM 501 CD1 TRP A 35 7.093 10.870 -2.262 1.00 0.00 C ATOM 502 CD2 TRP A 35 5.379 9.444 -2.053 1.00 0.00 C ATOM 503 NE1 TRP A 35 6.137 11.473 -1.480 1.00 0.00 N ATOM 504 CE2 TRP A 35 5.076 10.619 -1.337 1.00 0.00 C ATOM 505 CE3 TRP A 35 4.445 8.404 -2.066 1.00 0.00 C ATOM 506 CZ2 TRP A 35 3.880 10.779 -0.642 1.00 0.00 C ATOM 507 CZ3 TRP A 35 3.259 8.565 -1.375 1.00 0.00 C ATOM 508 CH2 TRP A 35 2.985 9.745 -0.672 1.00 0.00 C ATOM 0 H TRP A 35 9.256 9.945 -2.365 1.00 0.00 H new ATOM 0 HA TRP A 35 8.257 7.561 -1.832 1.00 0.00 H new ATOM 0 HB2 TRP A 35 7.780 9.150 -4.384 1.00 0.00 H new ATOM 0 HB3 TRP A 35 6.732 7.864 -3.819 1.00 0.00 H new ATOM 0 HD1 TRP A 35 8.037 11.315 -2.539 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.206 12.405 -1.072 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.647 7.491 -2.606 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 3.667 11.687 -0.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.531 7.767 -1.377 1.00 0.00 H new ATOM 0 HH2 TRP A 35 2.048 9.840 -0.143 1.00 0.00 H new ATOM 519 N LYS A 36 8.851 5.638 -3.290 1.00 0.00 N ATOM 520 CA LYS A 36 9.340 4.482 -4.032 1.00 0.00 C ATOM 521 C LYS A 36 8.234 3.881 -4.893 1.00 0.00 C ATOM 522 O LYS A 36 7.244 3.364 -4.375 1.00 0.00 O ATOM 523 CB LYS A 36 9.883 3.424 -3.068 1.00 0.00 C ATOM 524 CG LYS A 36 10.825 3.985 -2.017 1.00 0.00 C ATOM 525 CD LYS A 36 10.764 3.182 -0.728 1.00 0.00 C ATOM 526 CE LYS A 36 11.659 1.954 -0.794 1.00 0.00 C ATOM 527 NZ LYS A 36 10.951 0.783 -1.383 1.00 0.00 N ATOM 0 H LYS A 36 8.243 5.408 -2.504 1.00 0.00 H new ATOM 0 HA LYS A 36 10.145 4.815 -4.687 1.00 0.00 H new ATOM 0 HB2 LYS A 36 9.046 2.935 -2.570 1.00 0.00 H new ATOM 0 HB3 LYS A 36 10.406 2.657 -3.640 1.00 0.00 H new ATOM 0 HG2 LYS A 36 11.845 3.981 -2.402 1.00 0.00 H new ATOM 0 HG3 LYS A 36 10.566 5.024 -1.812 1.00 0.00 H new ATOM 0 HD2 LYS A 36 11.068 3.811 0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.736 2.874 -0.538 1.00 0.00 H new ATOM 0 HE2 LYS A 36 12.544 2.181 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 36 12.005 1.703 0.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 10.988 -0.016 -0.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.959 1.034 -1.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 11.411 0.512 -2.275 1.00 0.00 H new ATOM 541 N GLN A 37 8.410 3.951 -6.208 1.00 0.00 N ATOM 542 CA GLN A 37 7.426 3.412 -7.140 1.00 0.00 C ATOM 543 C GLN A 37 7.671 1.928 -7.392 1.00 0.00 C ATOM 544 O GLN A 37 8.672 1.549 -7.998 1.00 0.00 O ATOM 545 CB GLN A 37 7.470 4.180 -8.462 1.00 0.00 C ATOM 546 CG GLN A 37 6.336 3.826 -9.410 1.00 0.00 C ATOM 547 CD GLN A 37 6.247 4.771 -10.592 1.00 0.00 C ATOM 548 OE1 GLN A 37 7.265 5.206 -11.131 1.00 0.00 O ATOM 549 NE2 GLN A 37 5.026 5.092 -11.004 1.00 0.00 N ATOM 0 H GLN A 37 9.224 4.375 -6.652 1.00 0.00 H new ATOM 0 HA GLN A 37 6.438 3.528 -6.694 1.00 0.00 H new ATOM 0 HB2 GLN A 37 7.437 5.249 -8.253 1.00 0.00 H new ATOM 0 HB3 GLN A 37 8.421 3.981 -8.956 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.476 2.808 -9.773 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.393 3.843 -8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.210 4.708 -10.528 1.00 0.00 H new ATOM 0 HE22 GLN A 37 4.904 5.722 -11.797 1.00 0.00 H new ATOM 558 N MET A 38 6.749 1.093 -6.923 1.00 0.00 N ATOM 559 CA MET A 38 6.865 -0.350 -7.099 1.00 0.00 C ATOM 560 C MET A 38 5.488 -1.005 -7.133 1.00 0.00 C ATOM 561 O MET A 38 4.606 -0.661 -6.346 1.00 0.00 O ATOM 562 CB MET A 38 7.704 -0.957 -5.973 1.00 0.00 C ATOM 563 CG MET A 38 7.212 -0.589 -4.582 1.00 0.00 C ATOM 564 SD MET A 38 8.449 -0.888 -3.305 1.00 0.00 S ATOM 565 CE MET A 38 8.801 -2.623 -3.575 1.00 0.00 C ATOM 0 H MET A 38 5.914 1.391 -6.419 1.00 0.00 H new ATOM 0 HA MET A 38 7.360 -0.536 -8.052 1.00 0.00 H new ATOM 0 HB2 MET A 38 7.703 -2.042 -6.075 1.00 0.00 H new ATOM 0 HB3 MET A 38 8.737 -0.628 -6.083 1.00 0.00 H new ATOM 0 HG2 MET A 38 6.928 0.463 -4.568 1.00 0.00 H new ATOM 0 HG3 MET A 38 6.314 -1.164 -4.355 1.00 0.00 H new ATOM 0 HE1 MET A 38 8.791 -3.149 -2.620 1.00 0.00 H new ATOM 0 HE2 MET A 38 8.044 -3.050 -4.232 1.00 0.00 H new ATOM 0 HE3 MET A 38 9.783 -2.727 -4.037 1.00 0.00 H new ATOM 575 N TYR A 39 5.311 -1.951 -8.049 1.00 0.00 N ATOM 576 CA TYR A 39 4.040 -2.653 -8.187 1.00 0.00 C ATOM 577 C TYR A 39 3.554 -3.170 -6.837 1.00 0.00 C ATOM 578 O TYR A 39 4.188 -4.029 -6.223 1.00 0.00 O ATOM 579 CB TYR A 39 4.180 -3.815 -9.172 1.00 0.00 C ATOM 580 CG TYR A 39 2.899 -4.147 -9.903 1.00 0.00 C ATOM 581 CD1 TYR A 39 2.457 -3.363 -10.961 1.00 0.00 C ATOM 582 CD2 TYR A 39 2.132 -5.245 -9.536 1.00 0.00 C ATOM 583 CE1 TYR A 39 1.287 -3.662 -11.632 1.00 0.00 C ATOM 584 CE2 TYR A 39 0.961 -5.553 -10.202 1.00 0.00 C ATOM 585 CZ TYR A 39 0.542 -4.758 -11.249 1.00 0.00 C ATOM 586 OH TYR A 39 -0.623 -5.060 -11.915 1.00 0.00 O ATOM 0 H TYR A 39 6.031 -2.249 -8.707 1.00 0.00 H new ATOM 0 HA TYR A 39 3.303 -1.947 -8.571 1.00 0.00 H new ATOM 0 HB2 TYR A 39 4.952 -3.571 -9.902 1.00 0.00 H new ATOM 0 HB3 TYR A 39 4.520 -4.699 -8.632 1.00 0.00 H new ATOM 0 HD1 TYR A 39 3.038 -2.505 -11.264 1.00 0.00 H new ATOM 0 HD2 TYR A 39 2.456 -5.869 -8.716 1.00 0.00 H new ATOM 0 HE1 TYR A 39 0.957 -3.041 -12.452 1.00 0.00 H new ATOM 0 HE2 TYR A 39 0.377 -6.411 -9.905 1.00 0.00 H new ATOM 0 HH TYR A 39 -1.026 -5.862 -11.522 1.00 0.00 H new ATOM 596 N VAL A 40 2.423 -2.642 -6.381 1.00 0.00 N ATOM 597 CA VAL A 40 1.849 -3.050 -5.104 1.00 0.00 C ATOM 598 C VAL A 40 0.658 -3.979 -5.310 1.00 0.00 C ATOM 599 O VAL A 40 -0.297 -3.637 -6.007 1.00 0.00 O ATOM 600 CB VAL A 40 1.399 -1.832 -4.276 1.00 0.00 C ATOM 601 CG1 VAL A 40 0.725 -2.282 -2.988 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.583 -0.925 -3.978 1.00 0.00 C ATOM 0 H VAL A 40 1.886 -1.931 -6.877 1.00 0.00 H new ATOM 0 HA VAL A 40 2.631 -3.580 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 40 0.673 -1.265 -4.859 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.414 -1.408 -2.416 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.148 -2.889 -3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 40 1.426 -2.872 -2.397 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.247 -0.069 -3.392 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.333 -1.479 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.018 -0.576 -4.914 1.00 0.00 H new ATOM 612 N VAL A 41 0.720 -5.157 -4.697 1.00 0.00 N ATOM 613 CA VAL A 41 -0.354 -6.136 -4.811 1.00 0.00 C ATOM 614 C VAL A 41 -0.938 -6.473 -3.443 1.00 0.00 C ATOM 615 O VAL A 41 -0.208 -6.610 -2.461 1.00 0.00 O ATOM 616 CB VAL A 41 0.137 -7.434 -5.480 1.00 0.00 C ATOM 617 CG1 VAL A 41 -0.897 -8.539 -5.327 1.00 0.00 C ATOM 618 CG2 VAL A 41 0.454 -7.188 -6.948 1.00 0.00 C ATOM 0 H VAL A 41 1.503 -5.456 -4.116 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.127 -5.685 -5.433 1.00 0.00 H new ATOM 0 HB VAL A 41 1.052 -7.756 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.532 -9.448 -5.806 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.070 -8.731 -4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.831 -8.231 -5.797 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.800 -8.115 -7.406 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.443 -6.842 -7.461 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.233 -6.430 -7.030 1.00 0.00 H new ATOM 628 N LEU A 42 -2.259 -6.605 -3.387 1.00 0.00 N ATOM 629 CA LEU A 42 -2.943 -6.927 -2.139 1.00 0.00 C ATOM 630 C LEU A 42 -3.393 -8.384 -2.125 1.00 0.00 C ATOM 631 O LEU A 42 -4.125 -8.827 -3.010 1.00 0.00 O ATOM 632 CB LEU A 42 -4.149 -6.007 -1.943 1.00 0.00 C ATOM 633 CG LEU A 42 -5.058 -6.334 -0.758 1.00 0.00 C ATOM 634 CD1 LEU A 42 -4.356 -6.023 0.555 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.366 -5.563 -0.861 1.00 0.00 C ATOM 0 H LEU A 42 -2.877 -6.494 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.241 -6.775 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -3.786 -4.986 -1.826 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.749 -6.030 -2.853 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.285 -7.400 -0.782 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.018 -6.262 1.387 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.447 -6.620 0.632 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -4.099 -4.964 0.588 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.001 -5.808 -0.009 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -6.158 -4.493 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.877 -5.835 -1.785 1.00 0.00 H new ATOM 647 N ARG A 43 -2.953 -9.124 -1.112 1.00 0.00 N ATOM 648 CA ARG A 43 -3.312 -10.531 -0.982 1.00 0.00 C ATOM 649 C ARG A 43 -3.717 -10.859 0.452 1.00 0.00 C ATOM 650 O ARG A 43 -2.868 -10.993 1.333 1.00 0.00 O ATOM 651 CB ARG A 43 -2.141 -11.420 -1.408 1.00 0.00 C ATOM 652 CG ARG A 43 -1.811 -11.323 -2.888 1.00 0.00 C ATOM 653 CD ARG A 43 -1.149 -12.595 -3.395 1.00 0.00 C ATOM 654 NE ARG A 43 0.082 -12.898 -2.669 1.00 0.00 N ATOM 655 CZ ARG A 43 0.939 -13.843 -3.039 1.00 0.00 C ATOM 656 NH1 ARG A 43 0.702 -14.572 -4.121 1.00 0.00 N ATOM 657 NH2 ARG A 43 2.037 -14.059 -2.326 1.00 0.00 N ATOM 0 H ARG A 43 -2.348 -8.773 -0.370 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.163 -10.724 -1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -1.259 -11.147 -0.829 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.375 -12.456 -1.163 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.724 -11.136 -3.454 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -1.150 -10.474 -3.060 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -1.843 -13.429 -3.296 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -0.927 -12.490 -4.457 1.00 0.00 H new ATOM 0 HE ARG A 43 0.295 -12.354 -1.833 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.141 -14.408 -4.672 1.00 0.00 H new ATOM 0 HH12 ARG A 43 1.362 -15.297 -4.402 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.223 -13.499 -1.494 1.00 0.00 H new ATOM 0 HH22 ARG A 43 2.695 -14.785 -2.610 1.00 0.00 H new ATOM 671 N GLY A 44 -5.021 -10.986 0.679 1.00 0.00 N ATOM 672 CA GLY A 44 -5.516 -11.295 2.007 1.00 0.00 C ATOM 673 C GLY A 44 -5.467 -10.100 2.938 1.00 0.00 C ATOM 674 O GLY A 44 -6.229 -9.146 2.775 1.00 0.00 O ATOM 0 H GLY A 44 -5.743 -10.880 -0.034 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.543 -11.653 1.934 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.925 -12.107 2.432 1.00 0.00 H new ATOM 678 N HIS A 45 -4.571 -10.150 3.918 1.00 0.00 N ATOM 679 CA HIS A 45 -4.426 -9.063 4.879 1.00 0.00 C ATOM 680 C HIS A 45 -3.020 -8.473 4.825 1.00 0.00 C ATOM 681 O HIS A 45 -2.662 -7.622 5.639 1.00 0.00 O ATOM 682 CB HIS A 45 -4.729 -9.560 6.293 1.00 0.00 C ATOM 683 CG HIS A 45 -5.779 -10.628 6.340 1.00 0.00 C ATOM 684 ND1 HIS A 45 -5.533 -11.940 5.996 1.00 0.00 N ATOM 685 CD2 HIS A 45 -7.083 -10.572 6.696 1.00 0.00 C ATOM 686 CE1 HIS A 45 -6.641 -12.645 6.136 1.00 0.00 C ATOM 687 NE2 HIS A 45 -7.597 -11.838 6.560 1.00 0.00 N ATOM 0 H HIS A 45 -3.934 -10.932 4.068 1.00 0.00 H new ATOM 0 HA HIS A 45 -5.139 -8.282 4.616 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -3.811 -9.944 6.739 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.052 -8.717 6.904 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -7.620 -9.695 7.026 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -6.747 -13.701 5.938 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.560 -12.111 6.755 1.00 0.00 H new ATOM 696 N SER A 46 -2.228 -8.931 3.861 1.00 0.00 N ATOM 697 CA SER A 46 -0.860 -8.452 3.704 1.00 0.00 C ATOM 698 C SER A 46 -0.652 -7.847 2.318 1.00 0.00 C ATOM 699 O SER A 46 -1.215 -8.320 1.330 1.00 0.00 O ATOM 700 CB SER A 46 0.132 -9.596 3.927 1.00 0.00 C ATOM 701 OG SER A 46 -0.083 -10.219 5.181 1.00 0.00 O ATOM 0 H SER A 46 -2.510 -9.633 3.177 1.00 0.00 H new ATOM 0 HA SER A 46 -0.685 -7.677 4.450 1.00 0.00 H new ATOM 0 HB2 SER A 46 0.029 -10.332 3.129 1.00 0.00 H new ATOM 0 HB3 SER A 46 1.151 -9.213 3.878 1.00 0.00 H new ATOM 0 HG SER A 46 0.562 -10.947 5.299 1.00 0.00 H new ATOM 707 N LEU A 47 0.161 -6.799 2.254 1.00 0.00 N ATOM 708 CA LEU A 47 0.445 -6.127 0.990 1.00 0.00 C ATOM 709 C LEU A 47 1.821 -6.518 0.463 1.00 0.00 C ATOM 710 O LEU A 47 2.839 -6.271 1.111 1.00 0.00 O ATOM 711 CB LEU A 47 0.366 -4.610 1.168 1.00 0.00 C ATOM 712 CG LEU A 47 -1.009 -3.978 0.946 1.00 0.00 C ATOM 713 CD1 LEU A 47 -1.042 -2.563 1.501 1.00 0.00 C ATOM 714 CD2 LEU A 47 -1.364 -3.981 -0.534 1.00 0.00 C ATOM 0 H LEU A 47 0.635 -6.396 3.062 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.304 -6.441 0.263 1.00 0.00 H new ATOM 0 HB2 LEU A 47 0.697 -4.365 2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 47 1.072 -4.146 0.479 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.751 -4.572 1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.028 -2.130 1.334 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.833 -2.587 2.570 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -0.289 -1.957 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -2.345 -3.528 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.619 -3.411 -1.088 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.383 -5.007 -0.902 1.00 0.00 H new ATOM 726 N TYR A 48 1.846 -7.127 -0.717 1.00 0.00 N ATOM 727 CA TYR A 48 3.098 -7.553 -1.332 1.00 0.00 C ATOM 728 C TYR A 48 3.487 -6.621 -2.475 1.00 0.00 C ATOM 729 O TYR A 48 2.784 -6.527 -3.482 1.00 0.00 O ATOM 730 CB TYR A 48 2.975 -8.988 -1.847 1.00 0.00 C ATOM 731 CG TYR A 48 2.625 -9.990 -0.771 1.00 0.00 C ATOM 732 CD1 TYR A 48 3.484 -10.223 0.296 1.00 0.00 C ATOM 733 CD2 TYR A 48 1.433 -10.703 -0.820 1.00 0.00 C ATOM 734 CE1 TYR A 48 3.168 -11.139 1.281 1.00 0.00 C ATOM 735 CE2 TYR A 48 1.108 -11.620 0.162 1.00 0.00 C ATOM 736 CZ TYR A 48 1.979 -11.834 1.210 1.00 0.00 C ATOM 737 OH TYR A 48 1.660 -12.746 2.190 1.00 0.00 O ATOM 0 H TYR A 48 1.013 -7.337 -1.267 1.00 0.00 H new ATOM 0 HA TYR A 48 3.879 -7.513 -0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 48 2.212 -9.022 -2.625 1.00 0.00 H new ATOM 0 HB3 TYR A 48 3.917 -9.280 -2.311 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.415 -9.679 0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 48 0.749 -10.538 -1.639 1.00 0.00 H new ATOM 0 HE1 TYR A 48 3.848 -11.310 2.102 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.178 -12.166 0.109 1.00 0.00 H new ATOM 0 HH TYR A 48 0.788 -13.148 1.992 1.00 0.00 H new ATOM 747 N LEU A 49 4.613 -5.935 -2.313 1.00 0.00 N ATOM 748 CA LEU A 49 5.099 -5.011 -3.331 1.00 0.00 C ATOM 749 C LEU A 49 6.145 -5.678 -4.218 1.00 0.00 C ATOM 750 O LEU A 49 6.704 -6.716 -3.863 1.00 0.00 O ATOM 751 CB LEU A 49 5.692 -3.763 -2.674 1.00 0.00 C ATOM 752 CG LEU A 49 4.754 -2.978 -1.756 1.00 0.00 C ATOM 753 CD1 LEU A 49 4.759 -3.570 -0.356 1.00 0.00 C ATOM 754 CD2 LEU A 49 5.150 -1.509 -1.718 1.00 0.00 C ATOM 0 H LEU A 49 5.207 -6.001 -1.486 1.00 0.00 H new ATOM 0 HA LEU A 49 4.254 -4.719 -3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.567 -4.062 -2.097 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.042 -3.094 -3.460 1.00 0.00 H new ATOM 0 HG LEU A 49 3.742 -3.050 -2.155 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.086 -2.998 0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.426 -4.607 -0.398 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.769 -3.530 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.472 -0.966 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.170 -1.417 -1.344 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.093 -1.091 -2.723 1.00 0.00 H new ATOM 766 N TYR A 50 6.408 -5.074 -5.372 1.00 0.00 N ATOM 767 CA TYR A 50 7.387 -5.609 -6.310 1.00 0.00 C ATOM 768 C TYR A 50 8.150 -4.484 -7.003 1.00 0.00 C ATOM 769 O TYR A 50 7.553 -3.593 -7.607 1.00 0.00 O ATOM 770 CB TYR A 50 6.697 -6.490 -7.352 1.00 0.00 C ATOM 771 CG TYR A 50 6.005 -7.698 -6.762 1.00 0.00 C ATOM 772 CD1 TYR A 50 4.679 -7.631 -6.351 1.00 0.00 C ATOM 773 CD2 TYR A 50 6.676 -8.906 -6.615 1.00 0.00 C ATOM 774 CE1 TYR A 50 4.043 -8.732 -5.810 1.00 0.00 C ATOM 775 CE2 TYR A 50 6.047 -10.012 -6.077 1.00 0.00 C ATOM 776 CZ TYR A 50 4.731 -9.920 -5.676 1.00 0.00 C ATOM 777 OH TYR A 50 4.101 -11.019 -5.138 1.00 0.00 O ATOM 0 H TYR A 50 5.956 -4.213 -5.680 1.00 0.00 H new ATOM 0 HA TYR A 50 8.099 -6.213 -5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.965 -5.891 -7.894 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.437 -6.825 -8.079 1.00 0.00 H new ATOM 0 HD1 TYR A 50 4.137 -6.703 -6.456 1.00 0.00 H new ATOM 0 HD2 TYR A 50 7.707 -8.981 -6.927 1.00 0.00 H new ATOM 0 HE1 TYR A 50 3.013 -8.663 -5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 50 6.583 -10.944 -5.971 1.00 0.00 H new ATOM 0 HH TYR A 50 4.521 -11.836 -5.478 1.00 0.00 H new ATOM 787 N LYS A 51 9.475 -4.533 -6.911 1.00 0.00 N ATOM 788 CA LYS A 51 10.322 -3.520 -7.529 1.00 0.00 C ATOM 789 C LYS A 51 9.806 -3.152 -8.917 1.00 0.00 C ATOM 790 O LYS A 51 9.744 -1.976 -9.274 1.00 0.00 O ATOM 791 CB LYS A 51 11.764 -4.023 -7.627 1.00 0.00 C ATOM 792 CG LYS A 51 11.912 -5.291 -8.451 1.00 0.00 C ATOM 793 CD LYS A 51 13.260 -5.952 -8.220 1.00 0.00 C ATOM 794 CE LYS A 51 14.343 -5.327 -9.087 1.00 0.00 C ATOM 795 NZ LYS A 51 15.580 -6.156 -9.113 1.00 0.00 N ATOM 0 H LYS A 51 9.985 -5.263 -6.414 1.00 0.00 H new ATOM 0 HA LYS A 51 10.296 -2.628 -6.902 1.00 0.00 H new ATOM 0 HB2 LYS A 51 12.384 -3.241 -8.065 1.00 0.00 H new ATOM 0 HB3 LYS A 51 12.145 -4.206 -6.622 1.00 0.00 H new ATOM 0 HG2 LYS A 51 11.115 -5.988 -8.193 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.799 -5.054 -9.509 1.00 0.00 H new ATOM 0 HD2 LYS A 51 13.536 -5.861 -7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 51 13.186 -7.017 -8.439 1.00 0.00 H new ATOM 0 HE2 LYS A 51 13.968 -5.202 -10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 51 14.580 -4.332 -8.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 16.293 -5.696 -9.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 15.952 -6.254 -8.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 15.359 -7.097 -9.496 1.00 0.00 H new ATOM 809 N ASP A 52 9.436 -4.164 -9.693 1.00 0.00 N ATOM 810 CA ASP A 52 8.922 -3.947 -11.040 1.00 0.00 C ATOM 811 C ASP A 52 7.857 -4.982 -11.390 1.00 0.00 C ATOM 812 O ASP A 52 7.711 -5.994 -10.704 1.00 0.00 O ATOM 813 CB ASP A 52 10.062 -4.004 -12.059 1.00 0.00 C ATOM 814 CG ASP A 52 9.606 -3.640 -13.458 1.00 0.00 C ATOM 815 OD1 ASP A 52 8.819 -2.680 -13.594 1.00 0.00 O ATOM 816 OD2 ASP A 52 10.036 -4.315 -14.417 1.00 0.00 O ATOM 0 H ASP A 52 9.482 -5.144 -9.412 1.00 0.00 H new ATOM 0 HA ASP A 52 8.465 -2.958 -11.073 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.856 -3.324 -11.750 1.00 0.00 H new ATOM 0 HB3 ASP A 52 10.488 -5.007 -12.068 1.00 0.00 H new ATOM 821 N LYS A 53 7.116 -4.721 -12.461 1.00 0.00 N ATOM 822 CA LYS A 53 6.064 -5.629 -12.903 1.00 0.00 C ATOM 823 C LYS A 53 6.635 -6.733 -13.787 1.00 0.00 C ATOM 824 O LYS A 53 5.939 -7.276 -14.645 1.00 0.00 O ATOM 825 CB LYS A 53 4.983 -4.859 -13.665 1.00 0.00 C ATOM 826 CG LYS A 53 3.622 -5.533 -13.638 1.00 0.00 C ATOM 827 CD LYS A 53 2.686 -4.939 -14.677 1.00 0.00 C ATOM 828 CE LYS A 53 1.379 -5.713 -14.756 1.00 0.00 C ATOM 829 NZ LYS A 53 1.460 -6.841 -15.724 1.00 0.00 N ATOM 0 H LYS A 53 7.224 -3.888 -13.039 1.00 0.00 H new ATOM 0 HA LYS A 53 5.620 -6.088 -12.020 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.893 -3.860 -13.239 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.298 -4.737 -14.701 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.740 -6.601 -13.821 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.182 -5.426 -12.647 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.479 -3.898 -14.429 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.173 -4.944 -15.652 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.125 -6.099 -13.769 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.575 -5.039 -15.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.550 -7.343 -15.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.677 -6.471 -16.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.210 -7.498 -15.429 1.00 0.00 H new ATOM 843 N ARG A 54 7.904 -7.061 -13.571 1.00 0.00 N ATOM 844 CA ARG A 54 8.568 -8.101 -14.348 1.00 0.00 C ATOM 845 C ARG A 54 7.797 -9.416 -14.267 1.00 0.00 C ATOM 846 O ARG A 54 7.313 -9.925 -15.277 1.00 0.00 O ATOM 847 CB ARG A 54 10.000 -8.305 -13.850 1.00 0.00 C ATOM 848 CG ARG A 54 11.017 -7.406 -14.534 1.00 0.00 C ATOM 849 CD ARG A 54 11.516 -8.017 -15.833 1.00 0.00 C ATOM 850 NE ARG A 54 10.521 -7.926 -16.899 1.00 0.00 N ATOM 851 CZ ARG A 54 10.563 -8.655 -18.008 1.00 0.00 C ATOM 852 NH1 ARG A 54 11.545 -9.526 -18.196 1.00 0.00 N ATOM 853 NH2 ARG A 54 9.621 -8.515 -18.932 1.00 0.00 N ATOM 0 H ARG A 54 8.494 -6.622 -12.864 1.00 0.00 H new ATOM 0 HA ARG A 54 8.596 -7.779 -15.389 1.00 0.00 H new ATOM 0 HB2 ARG A 54 10.031 -8.123 -12.776 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.285 -9.346 -14.006 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.567 -6.434 -14.737 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.860 -7.233 -13.865 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.429 -7.510 -16.145 1.00 0.00 H new ATOM 0 HD3 ARG A 54 11.774 -9.063 -15.666 1.00 0.00 H new ATOM 0 HE ARG A 54 9.752 -7.266 -16.785 1.00 0.00 H new ATOM 0 HH11 ARG A 54 12.271 -9.637 -17.488 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.575 -10.085 -19.049 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.863 -7.847 -18.791 1.00 0.00 H new ATOM 0 HH22 ARG A 54 9.654 -9.076 -19.783 1.00 0.00 H new ATOM 867 N GLU A 55 7.689 -9.959 -13.059 1.00 0.00 N ATOM 868 CA GLU A 55 6.979 -11.215 -12.847 1.00 0.00 C ATOM 869 C GLU A 55 6.308 -11.236 -11.477 1.00 0.00 C ATOM 870 O GLU A 55 6.889 -10.799 -10.484 1.00 0.00 O ATOM 871 CB GLU A 55 7.940 -12.398 -12.975 1.00 0.00 C ATOM 872 CG GLU A 55 8.462 -12.609 -14.387 1.00 0.00 C ATOM 873 CD GLU A 55 9.678 -11.757 -14.693 1.00 0.00 C ATOM 874 OE1 GLU A 55 10.614 -11.739 -13.866 1.00 0.00 O ATOM 875 OE2 GLU A 55 9.694 -11.107 -15.760 1.00 0.00 O ATOM 0 H GLU A 55 8.084 -9.549 -12.212 1.00 0.00 H new ATOM 0 HA GLU A 55 6.207 -11.300 -13.612 1.00 0.00 H new ATOM 0 HB2 GLU A 55 8.785 -12.243 -12.304 1.00 0.00 H new ATOM 0 HB3 GLU A 55 7.433 -13.305 -12.645 1.00 0.00 H new ATOM 0 HG2 GLU A 55 8.716 -13.660 -14.523 1.00 0.00 H new ATOM 0 HG3 GLU A 55 7.672 -12.377 -15.101 1.00 0.00 H new ATOM 882 N GLN A 56 5.082 -11.747 -11.432 1.00 0.00 N ATOM 883 CA GLN A 56 4.332 -11.824 -10.184 1.00 0.00 C ATOM 884 C GLN A 56 4.402 -13.228 -9.593 1.00 0.00 C ATOM 885 O GLN A 56 4.410 -13.401 -8.374 1.00 0.00 O ATOM 886 CB GLN A 56 2.873 -11.428 -10.416 1.00 0.00 C ATOM 887 CG GLN A 56 2.615 -9.938 -10.260 1.00 0.00 C ATOM 888 CD GLN A 56 3.189 -9.123 -11.402 1.00 0.00 C ATOM 889 OE1 GLN A 56 3.490 -9.656 -12.470 1.00 0.00 O ATOM 890 NE2 GLN A 56 3.344 -7.823 -11.183 1.00 0.00 N ATOM 0 H GLN A 56 4.587 -12.114 -12.245 1.00 0.00 H new ATOM 0 HA GLN A 56 4.782 -11.128 -9.476 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.576 -11.737 -11.418 1.00 0.00 H new ATOM 0 HB3 GLN A 56 2.241 -11.973 -9.715 1.00 0.00 H new ATOM 0 HG2 GLN A 56 1.541 -9.764 -10.199 1.00 0.00 H new ATOM 0 HG3 GLN A 56 3.048 -9.595 -9.320 1.00 0.00 H new ATOM 0 HE21 GLN A 56 3.081 -7.423 -10.282 1.00 0.00 H new ATOM 0 HE22 GLN A 56 3.726 -7.224 -11.915 1.00 0.00 H new ATOM 899 N THR A 57 4.451 -14.231 -10.465 1.00 0.00 N ATOM 900 CA THR A 57 4.519 -15.620 -10.030 1.00 0.00 C ATOM 901 C THR A 57 5.310 -15.752 -8.734 1.00 0.00 C ATOM 902 O THR A 57 4.958 -16.541 -7.856 1.00 0.00 O ATOM 903 CB THR A 57 5.163 -16.515 -11.105 1.00 0.00 C ATOM 904 OG1 THR A 57 5.447 -17.808 -10.560 1.00 0.00 O ATOM 905 CG2 THR A 57 6.445 -15.889 -11.633 1.00 0.00 C ATOM 0 H THR A 57 4.445 -14.106 -11.477 1.00 0.00 H new ATOM 0 HA THR A 57 3.493 -15.949 -9.862 1.00 0.00 H new ATOM 0 HB THR A 57 4.459 -16.616 -11.931 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.855 -18.372 -11.250 1.00 0.00 H new ATOM 0 HG21 THR A 57 6.882 -16.539 -12.391 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.221 -14.917 -12.074 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.152 -15.761 -10.813 1.00 0.00 H new ATOM 913 N THR A 58 6.383 -14.975 -8.619 1.00 0.00 N ATOM 914 CA THR A 58 7.225 -15.006 -7.430 1.00 0.00 C ATOM 915 C THR A 58 6.767 -13.975 -6.405 1.00 0.00 C ATOM 916 O THR A 58 6.143 -12.967 -6.738 1.00 0.00 O ATOM 917 CB THR A 58 8.702 -14.743 -7.780 1.00 0.00 C ATOM 918 OG1 THR A 58 8.804 -13.616 -8.658 1.00 0.00 O ATOM 919 CG2 THR A 58 9.327 -15.964 -8.438 1.00 0.00 C ATOM 0 H THR A 58 6.689 -14.317 -9.335 1.00 0.00 H new ATOM 0 HA THR A 58 7.132 -16.005 -7.004 1.00 0.00 H new ATOM 0 HB THR A 58 9.240 -14.532 -6.856 1.00 0.00 H new ATOM 0 HG1 THR A 58 9.746 -13.454 -8.874 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.370 -15.755 -8.676 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.274 -16.812 -7.756 1.00 0.00 H new ATOM 0 HG23 THR A 58 8.786 -16.201 -9.354 1.00 0.00 H new ATOM 927 N PRO A 59 7.083 -14.229 -5.126 1.00 0.00 N ATOM 928 CA PRO A 59 6.714 -13.333 -4.026 1.00 0.00 C ATOM 929 C PRO A 59 7.492 -12.022 -4.060 1.00 0.00 C ATOM 930 O PRO A 59 8.324 -11.806 -4.942 1.00 0.00 O ATOM 931 CB PRO A 59 7.077 -14.138 -2.776 1.00 0.00 C ATOM 932 CG PRO A 59 8.145 -15.075 -3.226 1.00 0.00 C ATOM 933 CD PRO A 59 7.826 -15.411 -4.656 1.00 0.00 C ATOM 0 HA PRO A 59 5.665 -13.042 -4.072 1.00 0.00 H new ATOM 0 HB2 PRO A 59 7.432 -13.488 -1.976 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.213 -14.679 -2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 59 9.129 -14.613 -3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.162 -15.973 -2.609 1.00 0.00 H new ATOM 0 HD2 PRO A 59 8.730 -15.576 -5.241 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.227 -16.319 -4.732 1.00 0.00 H new ATOM 941 N SER A 60 7.218 -11.151 -3.095 1.00 0.00 N ATOM 942 CA SER A 60 7.890 -9.859 -3.016 1.00 0.00 C ATOM 943 C SER A 60 9.404 -10.029 -3.104 1.00 0.00 C ATOM 944 O SER A 60 9.905 -11.139 -3.278 1.00 0.00 O ATOM 945 CB SER A 60 7.520 -9.146 -1.715 1.00 0.00 C ATOM 946 OG SER A 60 7.626 -10.021 -0.605 1.00 0.00 O ATOM 0 H SER A 60 6.535 -11.316 -2.356 1.00 0.00 H new ATOM 0 HA SER A 60 7.560 -9.253 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 60 8.175 -8.287 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 60 6.502 -8.763 -1.784 1.00 0.00 H new ATOM 0 HG SER A 60 7.386 -9.540 0.215 1.00 0.00 H new ATOM 952 N GLU A 61 10.125 -8.919 -2.983 1.00 0.00 N ATOM 953 CA GLU A 61 11.582 -8.944 -3.049 1.00 0.00 C ATOM 954 C GLU A 61 12.194 -8.687 -1.675 1.00 0.00 C ATOM 955 O GLU A 61 11.491 -8.670 -0.665 1.00 0.00 O ATOM 956 CB GLU A 61 12.087 -7.901 -4.048 1.00 0.00 C ATOM 957 CG GLU A 61 11.531 -8.082 -5.450 1.00 0.00 C ATOM 958 CD GLU A 61 12.133 -9.276 -6.167 1.00 0.00 C ATOM 959 OE1 GLU A 61 13.267 -9.152 -6.675 1.00 0.00 O ATOM 960 OE2 GLU A 61 11.470 -10.332 -6.220 1.00 0.00 O ATOM 0 H GLU A 61 9.725 -7.992 -2.839 1.00 0.00 H new ATOM 0 HA GLU A 61 11.888 -9.935 -3.384 1.00 0.00 H new ATOM 0 HB2 GLU A 61 11.823 -6.907 -3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 61 13.175 -7.947 -4.089 1.00 0.00 H new ATOM 0 HG2 GLU A 61 10.449 -8.204 -5.395 1.00 0.00 H new ATOM 0 HG3 GLU A 61 11.721 -7.180 -6.032 1.00 0.00 H new ATOM 967 N GLU A 62 13.508 -8.488 -1.647 1.00 0.00 N ATOM 968 CA GLU A 62 14.214 -8.233 -0.397 1.00 0.00 C ATOM 969 C GLU A 62 13.331 -7.463 0.580 1.00 0.00 C ATOM 970 O GLU A 62 13.381 -7.690 1.789 1.00 0.00 O ATOM 971 CB GLU A 62 15.502 -7.451 -0.663 1.00 0.00 C ATOM 972 CG GLU A 62 16.697 -8.334 -0.978 1.00 0.00 C ATOM 973 CD GLU A 62 17.455 -8.754 0.266 1.00 0.00 C ATOM 974 OE1 GLU A 62 16.877 -8.670 1.370 1.00 0.00 O ATOM 975 OE2 GLU A 62 18.626 -9.168 0.136 1.00 0.00 O ATOM 0 H GLU A 62 14.104 -8.498 -2.474 1.00 0.00 H new ATOM 0 HA GLU A 62 14.467 -9.195 0.050 1.00 0.00 H new ATOM 0 HB2 GLU A 62 15.337 -6.768 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 62 15.733 -6.840 0.210 1.00 0.00 H new ATOM 0 HG2 GLU A 62 16.357 -9.223 -1.510 1.00 0.00 H new ATOM 0 HG3 GLU A 62 17.372 -7.801 -1.648 1.00 0.00 H new ATOM 982 N GLU A 63 12.523 -6.552 0.047 1.00 0.00 N ATOM 983 CA GLU A 63 11.630 -5.748 0.872 1.00 0.00 C ATOM 984 C GLU A 63 10.807 -6.632 1.805 1.00 0.00 C ATOM 985 O GLU A 63 10.792 -7.854 1.665 1.00 0.00 O ATOM 986 CB GLU A 63 10.698 -4.913 -0.009 1.00 0.00 C ATOM 987 CG GLU A 63 11.375 -3.707 -0.639 1.00 0.00 C ATOM 988 CD GLU A 63 12.799 -3.998 -1.073 1.00 0.00 C ATOM 989 OE1 GLU A 63 12.979 -4.610 -2.146 1.00 0.00 O ATOM 990 OE2 GLU A 63 13.733 -3.613 -0.339 1.00 0.00 O ATOM 0 H GLU A 63 12.469 -6.353 -0.952 1.00 0.00 H new ATOM 0 HA GLU A 63 12.242 -5.080 1.478 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.294 -5.546 -0.799 1.00 0.00 H new ATOM 0 HB3 GLU A 63 9.853 -4.573 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 63 10.796 -3.380 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 63 11.378 -2.883 0.074 1.00 0.00 H new ATOM 997 N GLN A 64 10.125 -6.004 2.758 1.00 0.00 N ATOM 998 CA GLN A 64 9.302 -6.733 3.715 1.00 0.00 C ATOM 999 C GLN A 64 7.827 -6.388 3.538 1.00 0.00 C ATOM 1000 O GLN A 64 7.460 -5.246 3.263 1.00 0.00 O ATOM 1001 CB GLN A 64 9.743 -6.418 5.145 1.00 0.00 C ATOM 1002 CG GLN A 64 9.027 -5.223 5.753 1.00 0.00 C ATOM 1003 CD GLN A 64 9.545 -4.873 7.134 1.00 0.00 C ATOM 1004 OE1 GLN A 64 9.051 -5.379 8.142 1.00 0.00 O ATOM 1005 NE2 GLN A 64 10.547 -4.003 7.188 1.00 0.00 N ATOM 0 H GLN A 64 10.126 -4.992 2.887 1.00 0.00 H new ATOM 0 HA GLN A 64 9.433 -7.799 3.529 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.568 -7.293 5.771 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.817 -6.230 5.152 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.144 -4.361 5.096 1.00 0.00 H new ATOM 0 HG3 GLN A 64 7.960 -5.436 5.813 1.00 0.00 H new ATOM 0 HE21 GLN A 64 10.926 -3.608 6.328 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.937 -3.730 8.090 1.00 0.00 H new ATOM 1014 N PRO A 65 6.959 -7.398 3.698 1.00 0.00 N ATOM 1015 CA PRO A 65 5.510 -7.226 3.560 1.00 0.00 C ATOM 1016 C PRO A 65 4.913 -6.404 4.698 1.00 0.00 C ATOM 1017 O PRO A 65 5.491 -6.317 5.782 1.00 0.00 O ATOM 1018 CB PRO A 65 4.977 -8.661 3.601 1.00 0.00 C ATOM 1019 CG PRO A 65 6.006 -9.426 4.358 1.00 0.00 C ATOM 1020 CD PRO A 65 7.326 -8.786 4.025 1.00 0.00 C ATOM 0 HA PRO A 65 5.249 -6.685 2.651 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.006 -8.709 4.094 1.00 0.00 H new ATOM 0 HB3 PRO A 65 4.844 -9.063 2.596 1.00 0.00 H new ATOM 0 HG2 PRO A 65 5.812 -9.386 5.430 1.00 0.00 H new ATOM 0 HG3 PRO A 65 5.999 -10.478 4.072 1.00 0.00 H new ATOM 0 HD2 PRO A 65 8.018 -8.831 4.866 1.00 0.00 H new ATOM 0 HD3 PRO A 65 7.812 -9.282 3.185 1.00 0.00 H new ATOM 1028 N ILE A 66 3.755 -5.804 4.444 1.00 0.00 N ATOM 1029 CA ILE A 66 3.080 -4.991 5.447 1.00 0.00 C ATOM 1030 C ILE A 66 1.700 -5.552 5.773 1.00 0.00 C ATOM 1031 O ILE A 66 0.818 -5.594 4.915 1.00 0.00 O ATOM 1032 CB ILE A 66 2.932 -3.530 4.982 1.00 0.00 C ATOM 1033 CG1 ILE A 66 4.293 -2.961 4.577 1.00 0.00 C ATOM 1034 CG2 ILE A 66 2.303 -2.686 6.080 1.00 0.00 C ATOM 1035 CD1 ILE A 66 4.198 -1.687 3.767 1.00 0.00 C ATOM 0 H ILE A 66 3.265 -5.866 3.552 1.00 0.00 H new ATOM 0 HA ILE A 66 3.700 -5.017 6.343 1.00 0.00 H new ATOM 0 HB ILE A 66 2.276 -3.505 4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.879 -2.768 5.476 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.834 -3.710 3.999 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.205 -1.656 5.736 1.00 0.00 H new ATOM 0 HG22 ILE A 66 1.317 -3.082 6.324 1.00 0.00 H new ATOM 0 HG23 ILE A 66 2.935 -2.714 6.967 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.200 -1.340 3.515 1.00 0.00 H new ATOM 0 HD12 ILE A 66 3.639 -1.879 2.851 1.00 0.00 H new ATOM 0 HD13 ILE A 66 3.686 -0.922 4.351 1.00 0.00 H new ATOM 1047 N SER A 67 1.520 -5.980 7.018 1.00 0.00 N ATOM 1048 CA SER A 67 0.247 -6.541 7.456 1.00 0.00 C ATOM 1049 C SER A 67 -0.803 -5.445 7.615 1.00 0.00 C ATOM 1050 O SER A 67 -0.777 -4.679 8.579 1.00 0.00 O ATOM 1051 CB SER A 67 0.424 -7.289 8.779 1.00 0.00 C ATOM 1052 OG SER A 67 1.013 -6.456 9.762 1.00 0.00 O ATOM 0 H SER A 67 2.239 -5.949 7.741 1.00 0.00 H new ATOM 0 HA SER A 67 -0.096 -7.241 6.694 1.00 0.00 H new ATOM 0 HB2 SER A 67 -0.544 -7.644 9.132 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.048 -8.169 8.622 1.00 0.00 H new ATOM 0 HG SER A 67 0.554 -5.590 9.775 1.00 0.00 H new ATOM 1058 N VAL A 68 -1.727 -5.378 6.663 1.00 0.00 N ATOM 1059 CA VAL A 68 -2.788 -4.377 6.696 1.00 0.00 C ATOM 1060 C VAL A 68 -3.945 -4.833 7.578 1.00 0.00 C ATOM 1061 O VAL A 68 -5.039 -4.273 7.522 1.00 0.00 O ATOM 1062 CB VAL A 68 -3.321 -4.078 5.282 1.00 0.00 C ATOM 1063 CG1 VAL A 68 -2.175 -3.748 4.338 1.00 0.00 C ATOM 1064 CG2 VAL A 68 -4.132 -5.253 4.759 1.00 0.00 C ATOM 0 H VAL A 68 -1.763 -6.005 5.859 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.354 -3.468 7.112 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.977 -3.209 5.336 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.571 -3.540 3.344 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.641 -2.872 4.707 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.491 -4.595 4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.501 -5.024 3.759 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -3.501 -6.141 4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.976 -5.437 5.424 1.00 0.00 H new ATOM 1074 N ASN A 69 -3.695 -5.852 8.393 1.00 0.00 N ATOM 1075 CA ASN A 69 -4.717 -6.383 9.288 1.00 0.00 C ATOM 1076 C ASN A 69 -5.222 -5.303 10.239 1.00 0.00 C ATOM 1077 O ASN A 69 -4.474 -4.800 11.077 1.00 0.00 O ATOM 1078 CB ASN A 69 -4.160 -7.563 10.088 1.00 0.00 C ATOM 1079 CG ASN A 69 -5.014 -7.896 11.297 1.00 0.00 C ATOM 1080 OD1 ASN A 69 -6.242 -7.847 11.235 1.00 0.00 O ATOM 1081 ND2 ASN A 69 -4.364 -8.237 12.404 1.00 0.00 N ATOM 0 H ASN A 69 -2.794 -6.327 8.452 1.00 0.00 H new ATOM 0 HA ASN A 69 -5.554 -6.727 8.680 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.094 -8.438 9.441 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.147 -7.331 10.415 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.884 -8.472 13.249 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.344 -8.264 12.409 1.00 0.00 H new ATOM 1088 N ALA A 70 -6.496 -4.951 10.103 1.00 0.00 N ATOM 1089 CA ALA A 70 -7.102 -3.932 10.951 1.00 0.00 C ATOM 1090 C ALA A 70 -6.347 -2.611 10.848 1.00 0.00 C ATOM 1091 O ALA A 70 -5.947 -2.034 11.860 1.00 0.00 O ATOM 1092 CB ALA A 70 -7.145 -4.406 12.397 1.00 0.00 C ATOM 0 H ALA A 70 -7.129 -5.357 9.413 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.122 -3.765 10.604 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -7.600 -3.635 13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -7.735 -5.320 12.463 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.131 -4.602 12.746 1.00 0.00 H new ATOM 1098 N CYS A 71 -6.156 -2.139 9.621 1.00 0.00 N ATOM 1099 CA CYS A 71 -5.447 -0.886 9.386 1.00 0.00 C ATOM 1100 C CYS A 71 -6.416 0.291 9.365 1.00 0.00 C ATOM 1101 O CYS A 71 -7.633 0.108 9.419 1.00 0.00 O ATOM 1102 CB CYS A 71 -4.675 -0.952 8.067 1.00 0.00 C ATOM 1103 SG CYS A 71 -5.665 -0.538 6.612 1.00 0.00 S ATOM 0 H CYS A 71 -6.482 -2.605 8.774 1.00 0.00 H new ATOM 0 HA CYS A 71 -4.742 -0.737 10.204 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -3.825 -0.271 8.121 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -4.271 -1.957 7.945 1.00 0.00 H new ATOM 0 HG CYS A 71 -4.994 -0.822 5.535 1.00 0.00 H new ATOM 1109 N LEU A 72 -5.869 1.499 9.287 1.00 0.00 N ATOM 1110 CA LEU A 72 -6.685 2.708 9.259 1.00 0.00 C ATOM 1111 C LEU A 72 -6.319 3.586 8.067 1.00 0.00 C ATOM 1112 O LEU A 72 -5.291 4.264 8.075 1.00 0.00 O ATOM 1113 CB LEU A 72 -6.510 3.495 10.559 1.00 0.00 C ATOM 1114 CG LEU A 72 -7.174 2.898 11.800 1.00 0.00 C ATOM 1115 CD1 LEU A 72 -8.632 2.568 11.519 1.00 0.00 C ATOM 1116 CD2 LEU A 72 -6.424 1.657 12.262 1.00 0.00 C ATOM 0 H LEU A 72 -4.864 1.667 9.242 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.729 2.409 9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.443 3.598 10.757 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -6.905 4.500 10.408 1.00 0.00 H new ATOM 0 HG LEU A 72 -7.138 3.638 12.599 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.088 2.144 12.414 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.163 3.477 11.237 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.691 1.846 10.705 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -6.911 1.246 13.146 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.428 0.912 11.466 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.395 1.923 12.505 1.00 0.00 H new ATOM 1128 N ILE A 73 -7.167 3.569 7.044 1.00 0.00 N ATOM 1129 CA ILE A 73 -6.934 4.366 5.846 1.00 0.00 C ATOM 1130 C ILE A 73 -7.690 5.689 5.910 1.00 0.00 C ATOM 1131 O ILE A 73 -8.813 5.750 6.411 1.00 0.00 O ATOM 1132 CB ILE A 73 -7.355 3.607 4.574 1.00 0.00 C ATOM 1133 CG1 ILE A 73 -6.301 2.560 4.206 1.00 0.00 C ATOM 1134 CG2 ILE A 73 -7.568 4.579 3.423 1.00 0.00 C ATOM 1135 CD1 ILE A 73 -6.789 1.540 3.201 1.00 0.00 C ATOM 0 H ILE A 73 -8.021 3.012 7.021 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.863 4.564 5.802 1.00 0.00 H new ATOM 0 HB ILE A 73 -8.297 3.094 4.770 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.424 3.065 3.802 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.982 2.043 5.111 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -7.865 4.027 2.531 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -8.351 5.290 3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -6.641 5.117 3.225 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -5.991 0.830 2.987 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.648 1.008 3.610 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.081 2.046 2.281 1.00 0.00 H new ATOM 1147 N ASP A 74 -7.069 6.745 5.396 1.00 0.00 N ATOM 1148 CA ASP A 74 -7.685 8.067 5.392 1.00 0.00 C ATOM 1149 C ASP A 74 -6.999 8.982 4.382 1.00 0.00 C ATOM 1150 O ASP A 74 -5.801 9.245 4.482 1.00 0.00 O ATOM 1151 CB ASP A 74 -7.620 8.688 6.788 1.00 0.00 C ATOM 1152 CG ASP A 74 -8.553 8.006 7.769 1.00 0.00 C ATOM 1153 OD1 ASP A 74 -9.779 8.219 7.666 1.00 0.00 O ATOM 1154 OD2 ASP A 74 -8.057 7.260 8.640 1.00 0.00 O ATOM 0 H ASP A 74 -6.140 6.711 4.977 1.00 0.00 H new ATOM 0 HA ASP A 74 -8.730 7.954 5.102 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -6.598 8.628 7.162 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -7.875 9.746 6.724 1.00 0.00 H new ATOM 1159 N ILE A 75 -7.767 9.462 3.410 1.00 0.00 N ATOM 1160 CA ILE A 75 -7.234 10.348 2.382 1.00 0.00 C ATOM 1161 C ILE A 75 -6.171 11.278 2.956 1.00 0.00 C ATOM 1162 O ILE A 75 -6.488 12.300 3.564 1.00 0.00 O ATOM 1163 CB ILE A 75 -8.346 11.194 1.736 1.00 0.00 C ATOM 1164 CG1 ILE A 75 -9.396 10.288 1.089 1.00 0.00 C ATOM 1165 CG2 ILE A 75 -7.756 12.148 0.708 1.00 0.00 C ATOM 1166 CD1 ILE A 75 -10.571 11.044 0.508 1.00 0.00 C ATOM 0 H ILE A 75 -8.760 9.252 3.313 1.00 0.00 H new ATOM 0 HA ILE A 75 -6.784 9.712 1.620 1.00 0.00 H new ATOM 0 HB ILE A 75 -8.832 11.784 2.514 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.923 9.704 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -9.762 9.580 1.833 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -8.555 12.739 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.042 12.812 1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -7.248 11.577 -0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.275 10.339 0.066 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -11.068 11.606 1.298 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.217 11.732 -0.260 1.00 0.00 H new ATOM 1178 N SER A 76 -4.907 10.917 2.757 1.00 0.00 N ATOM 1179 CA SER A 76 -3.796 11.719 3.257 1.00 0.00 C ATOM 1180 C SER A 76 -4.125 13.207 3.188 1.00 0.00 C ATOM 1181 O SER A 76 -4.910 13.642 2.344 1.00 0.00 O ATOM 1182 CB SER A 76 -2.527 11.428 2.452 1.00 0.00 C ATOM 1183 OG SER A 76 -1.395 12.037 3.048 1.00 0.00 O ATOM 0 H SER A 76 -4.627 10.075 2.254 1.00 0.00 H new ATOM 0 HA SER A 76 -3.627 11.450 4.300 1.00 0.00 H new ATOM 0 HB2 SER A 76 -2.373 10.351 2.387 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.647 11.795 1.433 1.00 0.00 H new ATOM 0 HG SER A 76 -0.597 11.835 2.516 1.00 0.00 H new ATOM 1189 N TYR A 77 -3.521 13.982 4.081 1.00 0.00 N ATOM 1190 CA TYR A 77 -3.751 15.421 4.124 1.00 0.00 C ATOM 1191 C TYR A 77 -3.775 16.012 2.718 1.00 0.00 C ATOM 1192 O TYR A 77 -3.352 15.371 1.756 1.00 0.00 O ATOM 1193 CB TYR A 77 -2.667 16.107 4.959 1.00 0.00 C ATOM 1194 CG TYR A 77 -1.261 15.715 4.566 1.00 0.00 C ATOM 1195 CD1 TYR A 77 -0.650 14.598 5.122 1.00 0.00 C ATOM 1196 CD2 TYR A 77 -0.544 16.462 3.640 1.00 0.00 C ATOM 1197 CE1 TYR A 77 0.635 14.236 4.766 1.00 0.00 C ATOM 1198 CE2 TYR A 77 0.741 16.106 3.277 1.00 0.00 C ATOM 1199 CZ TYR A 77 1.326 14.993 3.843 1.00 0.00 C ATOM 1200 OH TYR A 77 2.607 14.637 3.486 1.00 0.00 O ATOM 0 H TYR A 77 -2.868 13.638 4.785 1.00 0.00 H new ATOM 0 HA TYR A 77 -4.722 15.594 4.587 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -2.775 17.187 4.862 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -2.822 15.865 6.010 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -1.188 14.003 5.845 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -0.998 17.336 3.196 1.00 0.00 H new ATOM 0 HE1 TYR A 77 1.096 13.365 5.208 1.00 0.00 H new ATOM 0 HE2 TYR A 77 1.284 16.696 2.554 1.00 0.00 H new ATOM 0 HH TYR A 77 2.951 15.273 2.825 1.00 0.00 H new ATOM 1210 N SER A 78 -4.273 17.239 2.607 1.00 0.00 N ATOM 1211 CA SER A 78 -4.356 17.917 1.319 1.00 0.00 C ATOM 1212 C SER A 78 -3.392 19.098 1.263 1.00 0.00 C ATOM 1213 O SER A 78 -3.812 20.253 1.196 1.00 0.00 O ATOM 1214 CB SER A 78 -5.785 18.398 1.063 1.00 0.00 C ATOM 1215 OG SER A 78 -6.204 19.309 2.064 1.00 0.00 O ATOM 0 H SER A 78 -4.625 17.784 3.394 1.00 0.00 H new ATOM 0 HA SER A 78 -4.076 17.205 0.543 1.00 0.00 H new ATOM 0 HB2 SER A 78 -5.841 18.876 0.085 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.461 17.543 1.039 1.00 0.00 H new ATOM 0 HG SER A 78 -5.538 20.022 2.157 1.00 0.00 H new ATOM 1221 N GLU A 79 -2.097 18.799 1.291 1.00 0.00 N ATOM 1222 CA GLU A 79 -1.073 19.836 1.245 1.00 0.00 C ATOM 1223 C GLU A 79 0.025 19.472 0.249 1.00 0.00 C ATOM 1224 O GLU A 79 0.588 20.342 -0.417 1.00 0.00 O ATOM 1225 CB GLU A 79 -0.467 20.048 2.634 1.00 0.00 C ATOM 1226 CG GLU A 79 -1.503 20.264 3.724 1.00 0.00 C ATOM 1227 CD GLU A 79 -0.884 20.678 5.044 1.00 0.00 C ATOM 1228 OE1 GLU A 79 0.100 20.035 5.466 1.00 0.00 O ATOM 1229 OE2 GLU A 79 -1.383 21.646 5.656 1.00 0.00 O ATOM 0 H GLU A 79 -1.732 17.848 1.345 1.00 0.00 H new ATOM 0 HA GLU A 79 -1.545 20.762 0.917 1.00 0.00 H new ATOM 0 HB2 GLU A 79 0.143 19.182 2.891 1.00 0.00 H new ATOM 0 HB3 GLU A 79 0.200 20.910 2.602 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.209 21.030 3.402 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.072 19.345 3.866 1.00 0.00 H new ATOM 1236 N THR A 80 0.325 18.181 0.154 1.00 0.00 N ATOM 1237 CA THR A 80 1.356 17.701 -0.758 1.00 0.00 C ATOM 1238 C THR A 80 0.898 17.804 -2.209 1.00 0.00 C ATOM 1239 O THR A 80 -0.147 17.268 -2.580 1.00 0.00 O ATOM 1240 CB THR A 80 1.739 16.241 -0.455 1.00 0.00 C ATOM 1241 OG1 THR A 80 2.613 15.741 -1.474 1.00 0.00 O ATOM 1242 CG2 THR A 80 0.500 15.363 -0.368 1.00 0.00 C ATOM 0 H THR A 80 -0.131 17.448 0.698 1.00 0.00 H new ATOM 0 HA THR A 80 2.229 18.336 -0.609 1.00 0.00 H new ATOM 0 HB THR A 80 2.251 16.216 0.507 1.00 0.00 H new ATOM 0 HG1 THR A 80 2.853 14.812 -1.273 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.796 14.336 -0.153 1.00 0.00 H new ATOM 0 HG22 THR A 80 -0.149 15.728 0.428 1.00 0.00 H new ATOM 0 HG23 THR A 80 -0.036 15.395 -1.317 1.00 0.00 H new ATOM 1250 N LYS A 81 1.686 18.494 -3.026 1.00 0.00 N ATOM 1251 CA LYS A 81 1.363 18.666 -4.437 1.00 0.00 C ATOM 1252 C LYS A 81 0.672 17.424 -4.992 1.00 0.00 C ATOM 1253 O LYS A 81 -0.431 17.505 -5.534 1.00 0.00 O ATOM 1254 CB LYS A 81 2.632 18.958 -5.240 1.00 0.00 C ATOM 1255 CG LYS A 81 3.061 20.414 -5.192 1.00 0.00 C ATOM 1256 CD LYS A 81 3.906 20.787 -6.399 1.00 0.00 C ATOM 1257 CE LYS A 81 5.384 20.533 -6.145 1.00 0.00 C ATOM 1258 NZ LYS A 81 6.210 20.808 -7.353 1.00 0.00 N ATOM 0 H LYS A 81 2.554 18.944 -2.735 1.00 0.00 H new ATOM 0 HA LYS A 81 0.681 19.511 -4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 81 3.443 18.336 -4.861 1.00 0.00 H new ATOM 0 HB3 LYS A 81 2.469 18.670 -6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 81 2.179 21.053 -5.153 1.00 0.00 H new ATOM 0 HG3 LYS A 81 3.628 20.597 -4.279 1.00 0.00 H new ATOM 0 HD2 LYS A 81 3.580 20.210 -7.265 1.00 0.00 H new ATOM 0 HD3 LYS A 81 3.753 21.839 -6.641 1.00 0.00 H new ATOM 0 HE2 LYS A 81 5.724 21.161 -5.322 1.00 0.00 H new ATOM 0 HE3 LYS A 81 5.527 19.498 -5.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.211 20.623 -7.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 5.903 20.191 -8.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 6.094 21.803 -7.634 1.00 0.00 H new ATOM 1272 N ARG A 82 1.326 16.276 -4.852 1.00 0.00 N ATOM 1273 CA ARG A 82 0.775 15.017 -5.339 1.00 0.00 C ATOM 1274 C ARG A 82 -0.719 14.927 -5.041 1.00 0.00 C ATOM 1275 O ARG A 82 -1.174 15.319 -3.966 1.00 0.00 O ATOM 1276 CB ARG A 82 1.505 13.835 -4.701 1.00 0.00 C ATOM 1277 CG ARG A 82 2.976 13.754 -5.075 1.00 0.00 C ATOM 1278 CD ARG A 82 3.799 13.119 -3.965 1.00 0.00 C ATOM 1279 NE ARG A 82 5.232 13.323 -4.160 1.00 0.00 N ATOM 1280 CZ ARG A 82 5.969 12.602 -4.997 1.00 0.00 C ATOM 1281 NH1 ARG A 82 5.412 11.634 -5.712 1.00 0.00 N ATOM 1282 NH2 ARG A 82 7.268 12.848 -5.120 1.00 0.00 N ATOM 0 H ARG A 82 2.239 16.192 -4.405 1.00 0.00 H new ATOM 0 HA ARG A 82 0.916 14.981 -6.419 1.00 0.00 H new ATOM 0 HB2 ARG A 82 1.418 13.907 -3.617 1.00 0.00 H new ATOM 0 HB3 ARG A 82 1.011 12.910 -4.999 1.00 0.00 H new ATOM 0 HG2 ARG A 82 3.088 13.173 -5.990 1.00 0.00 H new ATOM 0 HG3 ARG A 82 3.355 14.754 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 82 3.500 13.541 -3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.587 12.051 -3.923 1.00 0.00 H new ATOM 0 HE ARG A 82 5.692 14.059 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 82 4.415 11.441 -5.620 1.00 0.00 H new ATOM 0 HH12 ARG A 82 5.981 11.082 -6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 82 7.701 13.591 -4.571 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.833 12.294 -5.763 1.00 0.00 H new ATOM 1296 N LYS A 83 -1.479 14.410 -6.001 1.00 0.00 N ATOM 1297 CA LYS A 83 -2.921 14.267 -5.842 1.00 0.00 C ATOM 1298 C LYS A 83 -3.326 12.796 -5.844 1.00 0.00 C ATOM 1299 O LYS A 83 -2.564 11.934 -6.280 1.00 0.00 O ATOM 1300 CB LYS A 83 -3.654 15.009 -6.962 1.00 0.00 C ATOM 1301 CG LYS A 83 -3.149 14.665 -8.352 1.00 0.00 C ATOM 1302 CD LYS A 83 -4.074 15.203 -9.431 1.00 0.00 C ATOM 1303 CE LYS A 83 -3.701 16.622 -9.829 1.00 0.00 C ATOM 1304 NZ LYS A 83 -4.413 17.635 -9.002 1.00 0.00 N ATOM 0 H LYS A 83 -1.120 14.083 -6.898 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.200 14.701 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.718 14.778 -6.904 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -3.552 16.082 -6.803 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -2.150 15.078 -8.489 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -3.063 13.583 -8.451 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.029 14.555 -10.306 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.103 15.183 -9.072 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.625 16.758 -9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.940 16.779 -10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.739 18.413 -9.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.232 17.192 -8.539 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.766 18.009 -8.279 1.00 0.00 H new ATOM 1318 N ASN A 84 -4.530 12.517 -5.355 1.00 0.00 N ATOM 1319 CA ASN A 84 -5.035 11.151 -5.301 1.00 0.00 C ATOM 1320 C ASN A 84 -4.160 10.282 -4.403 1.00 0.00 C ATOM 1321 O ASN A 84 -3.757 9.183 -4.785 1.00 0.00 O ATOM 1322 CB ASN A 84 -5.096 10.551 -6.707 1.00 0.00 C ATOM 1323 CG ASN A 84 -5.763 11.480 -7.703 1.00 0.00 C ATOM 1324 OD1 ASN A 84 -4.966 12.077 -8.582 1.00 0.00 O flip ATOM 1325 ND2 ASN A 84 -6.981 11.657 -7.683 1.00 0.00 N flip ATOM 0 H ASN A 84 -5.174 13.219 -4.991 1.00 0.00 H new ATOM 0 HA ASN A 84 -6.041 11.179 -4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.085 10.324 -7.046 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -5.641 9.607 -6.673 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -7.555 11.177 -6.989 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.416 12.283 -8.360 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.870 10.782 -3.206 1.00 0.00 N ATOM 1333 CA VAL A 85 -3.044 10.051 -2.252 1.00 0.00 C ATOM 1334 C VAL A 85 -3.848 9.656 -1.018 1.00 0.00 C ATOM 1335 O VAL A 85 -4.603 10.461 -0.472 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.825 10.883 -1.812 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -1.022 10.137 -0.757 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.956 11.228 -3.011 1.00 0.00 C ATOM 0 H VAL A 85 -4.195 11.690 -2.874 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.696 9.151 -2.759 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.182 11.814 -1.371 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -0.165 10.740 -0.458 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -1.652 9.946 0.112 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -0.673 9.189 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.099 11.816 -2.682 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.606 10.310 -3.483 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.539 11.806 -3.728 1.00 0.00 H new ATOM 1348 N PHE A 86 -3.681 8.412 -0.582 1.00 0.00 N ATOM 1349 CA PHE A 86 -4.392 7.910 0.588 1.00 0.00 C ATOM 1350 C PHE A 86 -3.412 7.449 1.663 1.00 0.00 C ATOM 1351 O PHE A 86 -2.456 6.727 1.379 1.00 0.00 O ATOM 1352 CB PHE A 86 -5.314 6.754 0.193 1.00 0.00 C ATOM 1353 CG PHE A 86 -4.676 5.773 -0.749 1.00 0.00 C ATOM 1354 CD1 PHE A 86 -4.276 6.168 -2.015 1.00 0.00 C ATOM 1355 CD2 PHE A 86 -4.477 4.456 -0.368 1.00 0.00 C ATOM 1356 CE1 PHE A 86 -3.689 5.268 -2.884 1.00 0.00 C ATOM 1357 CE2 PHE A 86 -3.890 3.552 -1.233 1.00 0.00 C ATOM 1358 CZ PHE A 86 -3.496 3.958 -2.493 1.00 0.00 C ATOM 0 H PHE A 86 -3.059 7.733 -1.021 1.00 0.00 H new ATOM 0 HA PHE A 86 -4.993 8.723 0.994 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.630 6.228 1.094 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -6.213 7.159 -0.271 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.425 7.191 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -4.784 4.132 0.616 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.381 5.589 -3.868 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -3.739 2.528 -0.924 1.00 0.00 H new ATOM 0 HZ PHE A 86 -3.038 3.253 -3.171 1.00 0.00 H new ATOM 1368 N ARG A 87 -3.656 7.873 2.898 1.00 0.00 N ATOM 1369 CA ARG A 87 -2.795 7.507 4.016 1.00 0.00 C ATOM 1370 C ARG A 87 -3.257 6.199 4.652 1.00 0.00 C ATOM 1371 O ARG A 87 -4.450 5.995 4.883 1.00 0.00 O ATOM 1372 CB ARG A 87 -2.785 8.620 5.066 1.00 0.00 C ATOM 1373 CG ARG A 87 -1.680 8.472 6.099 1.00 0.00 C ATOM 1374 CD ARG A 87 -1.383 9.794 6.790 1.00 0.00 C ATOM 1375 NE ARG A 87 -2.292 10.046 7.904 1.00 0.00 N ATOM 1376 CZ ARG A 87 -2.422 11.229 8.495 1.00 0.00 C ATOM 1377 NH1 ARG A 87 -1.704 12.263 8.079 1.00 0.00 N ATOM 1378 NH2 ARG A 87 -3.271 11.379 9.503 1.00 0.00 N ATOM 0 H ARG A 87 -4.443 8.471 3.150 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.784 7.369 3.633 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -2.675 9.581 4.564 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -3.748 8.635 5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -1.972 7.729 6.842 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -0.776 8.101 5.616 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.356 9.790 7.154 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.461 10.606 6.067 1.00 0.00 H new ATOM 0 HE ARG A 87 -2.859 9.271 8.248 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -1.050 12.151 7.304 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.805 13.170 8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.825 10.586 9.825 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -3.370 12.288 9.956 1.00 0.00 H new ATOM 1392 N LEU A 88 -2.306 5.315 4.931 1.00 0.00 N ATOM 1393 CA LEU A 88 -2.614 4.025 5.540 1.00 0.00 C ATOM 1394 C LEU A 88 -1.682 3.740 6.714 1.00 0.00 C ATOM 1395 O LEU A 88 -0.476 3.976 6.635 1.00 0.00 O ATOM 1396 CB LEU A 88 -2.500 2.909 4.501 1.00 0.00 C ATOM 1397 CG LEU A 88 -2.430 1.484 5.052 1.00 0.00 C ATOM 1398 CD1 LEU A 88 -3.064 0.503 4.077 1.00 0.00 C ATOM 1399 CD2 LEU A 88 -0.988 1.094 5.341 1.00 0.00 C ATOM 0 H LEU A 88 -1.315 5.467 4.745 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.637 4.062 5.914 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.356 2.976 3.830 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.609 3.089 3.900 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.989 1.449 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -3.005 -0.506 4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.109 0.770 3.920 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -2.533 0.541 3.126 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.958 0.077 5.732 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -0.406 1.146 4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.566 1.779 6.077 1.00 0.00 H new ATOM 1411 N THR A 89 -2.249 3.229 7.802 1.00 0.00 N ATOM 1412 CA THR A 89 -1.469 2.911 8.992 1.00 0.00 C ATOM 1413 C THR A 89 -1.718 1.476 9.444 1.00 0.00 C ATOM 1414 O THR A 89 -2.858 1.080 9.691 1.00 0.00 O ATOM 1415 CB THR A 89 -1.800 3.868 10.153 1.00 0.00 C ATOM 1416 OG1 THR A 89 -1.654 5.226 9.724 1.00 0.00 O ATOM 1417 CG2 THR A 89 -0.891 3.607 11.344 1.00 0.00 C ATOM 0 H THR A 89 -3.245 3.026 7.884 1.00 0.00 H new ATOM 0 HA THR A 89 -0.419 3.028 8.723 1.00 0.00 H new ATOM 0 HB THR A 89 -2.832 3.692 10.458 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.868 5.828 10.467 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.143 4.294 12.152 1.00 0.00 H new ATOM 0 HG22 THR A 89 -1.025 2.581 11.686 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.147 3.759 11.049 1.00 0.00 H new ATOM 1425 N THR A 90 -0.644 0.700 9.552 1.00 0.00 N ATOM 1426 CA THR A 90 -0.746 -0.691 9.975 1.00 0.00 C ATOM 1427 C THR A 90 -0.218 -0.875 11.393 1.00 0.00 C ATOM 1428 O THR A 90 0.715 -0.190 11.812 1.00 0.00 O ATOM 1429 CB THR A 90 0.029 -1.625 9.026 1.00 0.00 C ATOM 1430 OG1 THR A 90 1.437 -1.483 9.242 1.00 0.00 O ATOM 1431 CG2 THR A 90 -0.300 -1.314 7.574 1.00 0.00 C ATOM 0 H THR A 90 0.307 1.011 9.352 1.00 0.00 H new ATOM 0 HA THR A 90 -1.804 -0.953 9.947 1.00 0.00 H new ATOM 0 HB THR A 90 -0.269 -2.652 9.238 1.00 0.00 H new ATOM 0 HG1 THR A 90 1.677 -0.533 9.223 1.00 0.00 H new ATOM 0 HG21 THR A 90 0.259 -1.986 6.922 1.00 0.00 H new ATOM 0 HG22 THR A 90 -1.368 -1.450 7.406 1.00 0.00 H new ATOM 0 HG23 THR A 90 -0.027 -0.283 7.352 1.00 0.00 H new ATOM 1439 N SER A 91 -0.821 -1.804 12.128 1.00 0.00 N ATOM 1440 CA SER A 91 -0.413 -2.076 13.502 1.00 0.00 C ATOM 1441 C SER A 91 1.107 -2.060 13.630 1.00 0.00 C ATOM 1442 O SER A 91 1.648 -1.797 14.704 1.00 0.00 O ATOM 1443 CB SER A 91 -0.961 -3.428 13.960 1.00 0.00 C ATOM 1444 OG SER A 91 -2.343 -3.343 14.262 1.00 0.00 O ATOM 0 H SER A 91 -1.594 -2.381 11.795 1.00 0.00 H new ATOM 0 HA SER A 91 -0.822 -1.292 14.139 1.00 0.00 H new ATOM 0 HB2 SER A 91 -0.801 -4.172 13.179 1.00 0.00 H new ATOM 0 HB3 SER A 91 -0.414 -3.767 14.840 1.00 0.00 H new ATOM 0 HG SER A 91 -2.669 -4.221 14.551 1.00 0.00 H new ATOM 1450 N ASP A 92 1.791 -2.343 12.526 1.00 0.00 N ATOM 1451 CA ASP A 92 3.249 -2.361 12.514 1.00 0.00 C ATOM 1452 C ASP A 92 3.808 -0.951 12.356 1.00 0.00 C ATOM 1453 O ASP A 92 4.377 -0.390 13.293 1.00 0.00 O ATOM 1454 CB ASP A 92 3.759 -3.255 11.382 1.00 0.00 C ATOM 1455 CG ASP A 92 5.176 -3.739 11.621 1.00 0.00 C ATOM 1456 OD1 ASP A 92 5.441 -4.284 12.713 1.00 0.00 O ATOM 1457 OD2 ASP A 92 6.019 -3.573 10.715 1.00 0.00 O ATOM 0 H ASP A 92 1.359 -2.563 11.629 1.00 0.00 H new ATOM 0 HA ASP A 92 3.591 -2.763 13.467 1.00 0.00 H new ATOM 0 HB2 ASP A 92 3.097 -4.115 11.276 1.00 0.00 H new ATOM 0 HB3 ASP A 92 3.720 -2.704 10.442 1.00 0.00 H new ATOM 1462 N CYS A 93 3.643 -0.384 11.166 1.00 0.00 N ATOM 1463 CA CYS A 93 4.134 0.961 10.884 1.00 0.00 C ATOM 1464 C CYS A 93 3.176 1.706 9.960 1.00 0.00 C ATOM 1465 O CYS A 93 2.169 1.154 9.519 1.00 0.00 O ATOM 1466 CB CYS A 93 5.525 0.897 10.253 1.00 0.00 C ATOM 1467 SG CYS A 93 6.717 -0.088 11.191 1.00 0.00 S ATOM 0 H CYS A 93 3.173 -0.834 10.381 1.00 0.00 H new ATOM 0 HA CYS A 93 4.196 1.504 11.827 1.00 0.00 H new ATOM 0 HB2 CYS A 93 5.438 0.483 9.249 1.00 0.00 H new ATOM 0 HB3 CYS A 93 5.911 1.911 10.147 1.00 0.00 H new ATOM 0 HG CYS A 93 6.478 -1.352 11.004 1.00 0.00 H new ATOM 1473 N GLU A 94 3.498 2.964 9.673 1.00 0.00 N ATOM 1474 CA GLU A 94 2.664 3.785 8.803 1.00 0.00 C ATOM 1475 C GLU A 94 3.362 4.048 7.472 1.00 0.00 C ATOM 1476 O GLU A 94 4.590 4.033 7.388 1.00 0.00 O ATOM 1477 CB GLU A 94 2.329 5.112 9.487 1.00 0.00 C ATOM 1478 CG GLU A 94 1.348 5.969 8.704 1.00 0.00 C ATOM 1479 CD GLU A 94 1.270 7.391 9.224 1.00 0.00 C ATOM 1480 OE1 GLU A 94 1.385 7.579 10.454 1.00 0.00 O ATOM 1481 OE2 GLU A 94 1.094 8.315 8.403 1.00 0.00 O ATOM 0 H GLU A 94 4.329 3.436 10.030 1.00 0.00 H new ATOM 0 HA GLU A 94 1.740 3.241 8.608 1.00 0.00 H new ATOM 0 HB2 GLU A 94 1.913 4.908 10.474 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.250 5.675 9.639 1.00 0.00 H new ATOM 0 HG2 GLU A 94 1.643 5.986 7.655 1.00 0.00 H new ATOM 0 HG3 GLU A 94 0.358 5.515 8.749 1.00 0.00 H new ATOM 1488 N CYS A 95 2.569 4.289 6.433 1.00 0.00 N ATOM 1489 CA CYS A 95 3.109 4.554 5.104 1.00 0.00 C ATOM 1490 C CYS A 95 2.120 5.358 4.266 1.00 0.00 C ATOM 1491 O CYS A 95 1.038 5.713 4.734 1.00 0.00 O ATOM 1492 CB CYS A 95 3.447 3.241 4.397 1.00 0.00 C ATOM 1493 SG CYS A 95 4.148 1.976 5.483 1.00 0.00 S ATOM 0 H CYS A 95 1.550 4.306 6.485 1.00 0.00 H new ATOM 0 HA CYS A 95 4.020 5.141 5.219 1.00 0.00 H new ATOM 0 HB2 CYS A 95 2.542 2.847 3.935 1.00 0.00 H new ATOM 0 HB3 CYS A 95 4.153 3.446 3.592 1.00 0.00 H new ATOM 0 HG CYS A 95 4.879 2.544 6.396 1.00 0.00 H new ATOM 1499 N LEU A 96 2.500 5.643 3.026 1.00 0.00 N ATOM 1500 CA LEU A 96 1.647 6.407 2.121 1.00 0.00 C ATOM 1501 C LEU A 96 1.487 5.688 0.786 1.00 0.00 C ATOM 1502 O LEU A 96 2.264 4.792 0.455 1.00 0.00 O ATOM 1503 CB LEU A 96 2.232 7.803 1.895 1.00 0.00 C ATOM 1504 CG LEU A 96 1.928 8.841 2.976 1.00 0.00 C ATOM 1505 CD1 LEU A 96 2.753 10.099 2.754 1.00 0.00 C ATOM 1506 CD2 LEU A 96 0.443 9.171 2.996 1.00 0.00 C ATOM 0 H LEU A 96 3.393 5.357 2.624 1.00 0.00 H new ATOM 0 HA LEU A 96 0.663 6.502 2.581 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.314 7.711 1.802 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.861 8.181 0.942 1.00 0.00 H new ATOM 0 HG LEU A 96 2.199 8.420 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.524 10.827 3.533 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.814 9.850 2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.514 10.523 1.779 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.245 9.911 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.146 9.572 2.027 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.128 8.266 3.204 1.00 0.00 H new ATOM 1518 N PHE A 97 0.476 6.088 0.022 1.00 0.00 N ATOM 1519 CA PHE A 97 0.214 5.482 -1.278 1.00 0.00 C ATOM 1520 C PHE A 97 -0.405 6.496 -2.236 1.00 0.00 C ATOM 1521 O PHE A 97 -1.346 7.206 -1.880 1.00 0.00 O ATOM 1522 CB PHE A 97 -0.714 4.275 -1.125 1.00 0.00 C ATOM 1523 CG PHE A 97 -0.062 3.100 -0.453 1.00 0.00 C ATOM 1524 CD1 PHE A 97 0.765 2.248 -1.167 1.00 0.00 C ATOM 1525 CD2 PHE A 97 -0.279 2.847 0.892 1.00 0.00 C ATOM 1526 CE1 PHE A 97 1.366 1.166 -0.552 1.00 0.00 C ATOM 1527 CE2 PHE A 97 0.320 1.767 1.512 1.00 0.00 C ATOM 1528 CZ PHE A 97 1.142 0.925 0.790 1.00 0.00 C ATOM 0 H PHE A 97 -0.175 6.829 0.281 1.00 0.00 H new ATOM 0 HA PHE A 97 1.165 5.149 -1.694 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -1.591 4.572 -0.550 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.067 3.970 -2.110 1.00 0.00 H new ATOM 0 HD1 PHE A 97 0.942 2.432 -2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -0.923 3.501 1.462 1.00 0.00 H new ATOM 0 HE1 PHE A 97 2.010 0.510 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.145 1.582 2.561 1.00 0.00 H new ATOM 0 HZ PHE A 97 1.609 0.080 1.273 1.00 0.00 H new ATOM 1538 N GLN A 98 0.130 6.557 -3.451 1.00 0.00 N ATOM 1539 CA GLN A 98 -0.370 7.485 -4.459 1.00 0.00 C ATOM 1540 C GLN A 98 -1.084 6.737 -5.581 1.00 0.00 C ATOM 1541 O GLN A 98 -0.731 5.604 -5.907 1.00 0.00 O ATOM 1542 CB GLN A 98 0.780 8.313 -5.034 1.00 0.00 C ATOM 1543 CG GLN A 98 0.328 9.381 -6.017 1.00 0.00 C ATOM 1544 CD GLN A 98 1.315 10.526 -6.130 1.00 0.00 C ATOM 1545 OE1 GLN A 98 2.384 10.502 -5.518 1.00 0.00 O ATOM 1546 NE2 GLN A 98 0.963 11.537 -6.916 1.00 0.00 N ATOM 0 H GLN A 98 0.909 5.976 -3.761 1.00 0.00 H new ATOM 0 HA GLN A 98 -1.086 8.153 -3.979 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.319 8.789 -4.215 1.00 0.00 H new ATOM 0 HB3 GLN A 98 1.483 7.646 -5.533 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.188 8.929 -6.999 1.00 0.00 H new ATOM 0 HG3 GLN A 98 -0.641 9.771 -5.704 1.00 0.00 H new ATOM 0 HE21 GLN A 98 0.068 11.516 -7.404 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.588 12.335 -7.031 1.00 0.00 H new ATOM 1555 N ALA A 99 -2.089 7.379 -6.166 1.00 0.00 N ATOM 1556 CA ALA A 99 -2.852 6.775 -7.252 1.00 0.00 C ATOM 1557 C ALA A 99 -2.812 7.648 -8.502 1.00 0.00 C ATOM 1558 O ALA A 99 -2.763 8.874 -8.412 1.00 0.00 O ATOM 1559 CB ALA A 99 -4.291 6.537 -6.818 1.00 0.00 C ATOM 0 H ALA A 99 -2.394 8.317 -5.907 1.00 0.00 H new ATOM 0 HA ALA A 99 -2.394 5.816 -7.495 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.849 6.086 -7.639 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -4.306 5.867 -5.958 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.751 7.487 -6.546 1.00 0.00 H new ATOM 1565 N GLU A 100 -2.832 7.007 -9.666 1.00 0.00 N ATOM 1566 CA GLU A 100 -2.796 7.726 -10.934 1.00 0.00 C ATOM 1567 C GLU A 100 -4.031 8.608 -11.095 1.00 0.00 C ATOM 1568 O GLU A 100 -3.925 9.829 -11.205 1.00 0.00 O ATOM 1569 CB GLU A 100 -2.703 6.742 -12.102 1.00 0.00 C ATOM 1570 CG GLU A 100 -1.279 6.461 -12.550 1.00 0.00 C ATOM 1571 CD GLU A 100 -1.186 6.134 -14.028 1.00 0.00 C ATOM 1572 OE1 GLU A 100 -1.800 6.862 -14.836 1.00 0.00 O ATOM 1573 OE2 GLU A 100 -0.499 5.151 -14.376 1.00 0.00 O ATOM 0 H GLU A 100 -2.873 5.992 -9.757 1.00 0.00 H new ATOM 0 HA GLU A 100 -1.912 8.364 -10.935 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -3.176 5.803 -11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -3.269 7.138 -12.945 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -0.656 7.329 -12.334 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -0.878 5.629 -11.972 1.00 0.00 H new ATOM 1580 N ASP A 101 -5.201 7.979 -11.107 1.00 0.00 N ATOM 1581 CA ASP A 101 -6.458 8.705 -11.253 1.00 0.00 C ATOM 1582 C ASP A 101 -7.389 8.422 -10.079 1.00 0.00 C ATOM 1583 O ASP A 101 -7.374 7.329 -9.512 1.00 0.00 O ATOM 1584 CB ASP A 101 -7.142 8.324 -12.567 1.00 0.00 C ATOM 1585 CG ASP A 101 -6.404 8.856 -13.780 1.00 0.00 C ATOM 1586 OD1 ASP A 101 -5.159 8.934 -13.729 1.00 0.00 O ATOM 1587 OD2 ASP A 101 -7.072 9.194 -14.780 1.00 0.00 O ATOM 0 H ASP A 101 -5.306 6.968 -11.017 1.00 0.00 H new ATOM 0 HA ASP A 101 -6.234 9.772 -11.266 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -7.212 7.238 -12.635 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -8.161 8.710 -12.568 1.00 0.00 H new ATOM 1592 N ARG A 102 -8.197 9.414 -9.719 1.00 0.00 N ATOM 1593 CA ARG A 102 -9.134 9.271 -8.610 1.00 0.00 C ATOM 1594 C ARG A 102 -9.709 7.859 -8.562 1.00 0.00 C ATOM 1595 O ARG A 102 -9.532 7.139 -7.580 1.00 0.00 O ATOM 1596 CB ARG A 102 -10.267 10.291 -8.738 1.00 0.00 C ATOM 1597 CG ARG A 102 -11.186 10.335 -7.528 1.00 0.00 C ATOM 1598 CD ARG A 102 -11.913 11.667 -7.430 1.00 0.00 C ATOM 1599 NE ARG A 102 -11.043 12.731 -6.936 1.00 0.00 N ATOM 1600 CZ ARG A 102 -11.477 13.943 -6.610 1.00 0.00 C ATOM 1601 NH1 ARG A 102 -12.763 14.243 -6.723 1.00 0.00 N ATOM 1602 NH2 ARG A 102 -10.623 14.858 -6.168 1.00 0.00 N ATOM 0 H ARG A 102 -8.222 10.324 -10.178 1.00 0.00 H new ATOM 0 HA ARG A 102 -8.591 9.455 -7.683 1.00 0.00 H new ATOM 0 HB2 ARG A 102 -9.838 11.281 -8.894 1.00 0.00 H new ATOM 0 HB3 ARG A 102 -10.857 10.057 -9.624 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -11.913 9.526 -7.592 1.00 0.00 H new ATOM 0 HG3 ARG A 102 -10.604 10.169 -6.621 1.00 0.00 H new ATOM 0 HD2 ARG A 102 -12.300 11.942 -8.411 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -12.771 11.563 -6.766 1.00 0.00 H new ATOM 0 HE ARG A 102 -10.048 12.532 -6.836 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -13.422 13.542 -7.061 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -13.093 15.175 -6.472 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -9.633 14.630 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -10.957 15.789 -5.918 1.00 0.00 H new ATOM 1616 N ASP A 103 -10.399 7.470 -9.629 1.00 0.00 N ATOM 1617 CA ASP A 103 -11.000 6.144 -9.710 1.00 0.00 C ATOM 1618 C ASP A 103 -10.095 5.097 -9.069 1.00 0.00 C ATOM 1619 O ASP A 103 -10.473 4.449 -8.093 1.00 0.00 O ATOM 1620 CB ASP A 103 -11.276 5.774 -11.168 1.00 0.00 C ATOM 1621 CG ASP A 103 -11.805 4.361 -11.316 1.00 0.00 C ATOM 1622 OD1 ASP A 103 -12.408 3.848 -10.349 1.00 0.00 O ATOM 1623 OD2 ASP A 103 -11.617 3.768 -12.398 1.00 0.00 O ATOM 0 H ASP A 103 -10.556 8.055 -10.450 1.00 0.00 H new ATOM 0 HA ASP A 103 -11.943 6.166 -9.164 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -11.998 6.475 -11.587 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -10.358 5.878 -11.746 1.00 0.00 H new ATOM 1628 N ASP A 104 -8.899 4.937 -9.624 1.00 0.00 N ATOM 1629 CA ASP A 104 -7.939 3.968 -9.107 1.00 0.00 C ATOM 1630 C ASP A 104 -7.893 4.010 -7.582 1.00 0.00 C ATOM 1631 O ASP A 104 -7.986 2.977 -6.920 1.00 0.00 O ATOM 1632 CB ASP A 104 -6.547 4.241 -9.679 1.00 0.00 C ATOM 1633 CG ASP A 104 -5.718 2.979 -9.811 1.00 0.00 C ATOM 1634 OD1 ASP A 104 -6.022 2.160 -10.703 1.00 0.00 O ATOM 1635 OD2 ASP A 104 -4.765 2.811 -9.021 1.00 0.00 O ATOM 0 H ASP A 104 -8.571 5.466 -10.432 1.00 0.00 H new ATOM 0 HA ASP A 104 -8.261 2.974 -9.416 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -6.645 4.712 -10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -6.025 4.949 -9.035 1.00 0.00 H new ATOM 1640 N MET A 105 -7.747 5.212 -7.033 1.00 0.00 N ATOM 1641 CA MET A 105 -7.688 5.388 -5.587 1.00 0.00 C ATOM 1642 C MET A 105 -8.927 4.803 -4.917 1.00 0.00 C ATOM 1643 O MET A 105 -8.854 3.775 -4.242 1.00 0.00 O ATOM 1644 CB MET A 105 -7.557 6.872 -5.237 1.00 0.00 C ATOM 1645 CG MET A 105 -7.103 7.121 -3.808 1.00 0.00 C ATOM 1646 SD MET A 105 -6.706 8.853 -3.498 1.00 0.00 S ATOM 1647 CE MET A 105 -8.327 9.602 -3.645 1.00 0.00 C ATOM 0 H MET A 105 -7.668 6.077 -7.567 1.00 0.00 H new ATOM 0 HA MET A 105 -6.811 4.856 -5.217 1.00 0.00 H new ATOM 0 HB2 MET A 105 -6.847 7.337 -5.921 1.00 0.00 H new ATOM 0 HB3 MET A 105 -8.519 7.360 -5.394 1.00 0.00 H new ATOM 0 HG2 MET A 105 -7.887 6.803 -3.121 1.00 0.00 H new ATOM 0 HG3 MET A 105 -6.227 6.508 -3.597 1.00 0.00 H new ATOM 0 HE1 MET A 105 -8.285 10.632 -3.291 1.00 0.00 H new ATOM 0 HE2 MET A 105 -8.640 9.590 -4.689 1.00 0.00 H new ATOM 0 HE3 MET A 105 -9.043 9.041 -3.045 1.00 0.00 H new ATOM 1657 N LEU A 106 -10.064 5.464 -5.107 1.00 0.00 N ATOM 1658 CA LEU A 106 -11.320 5.010 -4.521 1.00 0.00 C ATOM 1659 C LEU A 106 -11.409 3.487 -4.535 1.00 0.00 C ATOM 1660 O LEU A 106 -11.866 2.873 -3.572 1.00 0.00 O ATOM 1661 CB LEU A 106 -12.506 5.607 -5.280 1.00 0.00 C ATOM 1662 CG LEU A 106 -12.914 7.025 -4.879 1.00 0.00 C ATOM 1663 CD1 LEU A 106 -13.391 7.055 -3.436 1.00 0.00 C ATOM 1664 CD2 LEU A 106 -11.755 7.991 -5.080 1.00 0.00 C ATOM 0 H LEU A 106 -10.142 6.316 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 106 -11.351 5.349 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -12.269 5.606 -6.344 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -13.366 4.951 -5.145 1.00 0.00 H new ATOM 0 HG LEU A 106 -13.738 7.340 -5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -13.677 8.072 -3.168 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -14.251 6.395 -3.323 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -12.588 6.720 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -12.064 8.995 -4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -10.911 7.679 -4.465 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -11.460 7.992 -6.129 1.00 0.00 H new ATOM 1676 N ALA A 107 -10.965 2.884 -5.633 1.00 0.00 N ATOM 1677 CA ALA A 107 -10.990 1.433 -5.770 1.00 0.00 C ATOM 1678 C ALA A 107 -10.144 0.765 -4.692 1.00 0.00 C ATOM 1679 O ALA A 107 -10.625 -0.101 -3.961 1.00 0.00 O ATOM 1680 CB ALA A 107 -10.503 1.025 -7.153 1.00 0.00 C ATOM 0 H ALA A 107 -10.584 3.378 -6.440 1.00 0.00 H new ATOM 0 HA ALA A 107 -12.020 1.099 -5.646 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -10.527 -0.061 -7.241 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -11.151 1.465 -7.911 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -9.482 1.378 -7.298 1.00 0.00 H new ATOM 1686 N TRP A 108 -8.883 1.171 -4.599 1.00 0.00 N ATOM 1687 CA TRP A 108 -7.970 0.610 -3.609 1.00 0.00 C ATOM 1688 C TRP A 108 -8.538 0.755 -2.202 1.00 0.00 C ATOM 1689 O TRP A 108 -8.792 -0.238 -1.520 1.00 0.00 O ATOM 1690 CB TRP A 108 -6.606 1.297 -3.696 1.00 0.00 C ATOM 1691 CG TRP A 108 -5.693 0.680 -4.711 1.00 0.00 C ATOM 1692 CD1 TRP A 108 -5.367 1.187 -5.936 1.00 0.00 C ATOM 1693 CD2 TRP A 108 -4.992 -0.562 -4.589 1.00 0.00 C ATOM 1694 NE1 TRP A 108 -4.504 0.336 -6.583 1.00 0.00 N ATOM 1695 CE2 TRP A 108 -4.258 -0.745 -5.778 1.00 0.00 C ATOM 1696 CE3 TRP A 108 -4.910 -1.537 -3.592 1.00 0.00 C ATOM 1697 CZ2 TRP A 108 -3.456 -1.862 -5.993 1.00 0.00 C ATOM 1698 CZ3 TRP A 108 -4.114 -2.646 -3.807 1.00 0.00 C ATOM 1699 CH2 TRP A 108 -3.394 -2.801 -4.999 1.00 0.00 C ATOM 0 H TRP A 108 -8.469 1.886 -5.197 1.00 0.00 H new ATOM 0 HA TRP A 108 -7.848 -0.452 -3.823 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -6.752 2.349 -3.942 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -6.127 1.262 -2.718 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -5.734 2.120 -6.338 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.110 0.485 -7.512 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -5.459 -1.426 -2.669 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -2.902 -1.984 -6.912 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -4.046 -3.406 -3.043 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -2.779 -3.678 -5.136 1.00 0.00 H new ATOM 1710 N ILE A 109 -8.734 1.997 -1.772 1.00 0.00 N ATOM 1711 CA ILE A 109 -9.273 2.270 -0.446 1.00 0.00 C ATOM 1712 C ILE A 109 -10.361 1.267 -0.077 1.00 0.00 C ATOM 1713 O ILE A 109 -10.291 0.613 0.963 1.00 0.00 O ATOM 1714 CB ILE A 109 -9.852 3.695 -0.356 1.00 0.00 C ATOM 1715 CG1 ILE A 109 -8.771 4.729 -0.674 1.00 0.00 C ATOM 1716 CG2 ILE A 109 -10.438 3.941 1.026 1.00 0.00 C ATOM 1717 CD1 ILE A 109 -9.265 6.157 -0.618 1.00 0.00 C ATOM 0 H ILE A 109 -8.527 2.830 -2.323 1.00 0.00 H new ATOM 0 HA ILE A 109 -8.444 2.178 0.256 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.650 3.795 -1.091 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -7.948 4.610 0.030 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -8.371 4.530 -1.668 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.843 4.952 1.075 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -11.234 3.221 1.217 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.657 3.827 1.778 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -8.445 6.835 -0.854 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -10.068 6.293 -1.342 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -9.638 6.374 0.383 1.00 0.00 H new ATOM 1729 N LYS A 110 -11.366 1.150 -0.938 1.00 0.00 N ATOM 1730 CA LYS A 110 -12.469 0.224 -0.707 1.00 0.00 C ATOM 1731 C LYS A 110 -11.957 -1.205 -0.558 1.00 0.00 C ATOM 1732 O LYS A 110 -12.049 -1.800 0.516 1.00 0.00 O ATOM 1733 CB LYS A 110 -13.475 0.300 -1.857 1.00 0.00 C ATOM 1734 CG LYS A 110 -14.529 -0.794 -1.816 1.00 0.00 C ATOM 1735 CD LYS A 110 -15.097 -1.072 -3.197 1.00 0.00 C ATOM 1736 CE LYS A 110 -15.979 0.070 -3.678 1.00 0.00 C ATOM 1737 NZ LYS A 110 -16.249 -0.015 -5.140 1.00 0.00 N ATOM 0 H LYS A 110 -11.440 1.685 -1.803 1.00 0.00 H new ATOM 0 HA LYS A 110 -12.965 0.512 0.220 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -13.970 1.271 -1.832 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -12.938 0.240 -2.803 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -14.092 -1.707 -1.411 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -15.334 -0.500 -1.143 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -14.281 -1.225 -3.903 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -15.676 -1.995 -3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -16.923 0.054 -3.133 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -15.497 1.021 -3.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -16.853 0.781 -5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -15.350 0.026 -5.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -16.732 -0.911 -5.352 1.00 0.00 H new ATOM 1751 N THR A 111 -11.416 -1.751 -1.643 1.00 0.00 N ATOM 1752 CA THR A 111 -10.889 -3.110 -1.633 1.00 0.00 C ATOM 1753 C THR A 111 -10.113 -3.389 -0.351 1.00 0.00 C ATOM 1754 O THR A 111 -10.467 -4.285 0.417 1.00 0.00 O ATOM 1755 CB THR A 111 -9.970 -3.365 -2.842 1.00 0.00 C ATOM 1756 OG1 THR A 111 -10.664 -3.062 -4.058 1.00 0.00 O ATOM 1757 CG2 THR A 111 -9.500 -4.812 -2.869 1.00 0.00 C ATOM 0 H THR A 111 -11.331 -1.273 -2.540 1.00 0.00 H new ATOM 0 HA THR A 111 -11.746 -3.782 -1.689 1.00 0.00 H new ATOM 0 HB THR A 111 -9.098 -2.717 -2.750 1.00 0.00 H new ATOM 0 HG1 THR A 111 -10.661 -2.093 -4.203 1.00 0.00 H new ATOM 0 HG21 THR A 111 -8.852 -4.968 -3.732 1.00 0.00 H new ATOM 0 HG22 THR A 111 -8.947 -5.032 -1.956 1.00 0.00 H new ATOM 0 HG23 THR A 111 -10.363 -5.474 -2.939 1.00 0.00 H new ATOM 1765 N ILE A 112 -9.055 -2.618 -0.126 1.00 0.00 N ATOM 1766 CA ILE A 112 -8.230 -2.783 1.064 1.00 0.00 C ATOM 1767 C ILE A 112 -9.077 -2.731 2.331 1.00 0.00 C ATOM 1768 O ILE A 112 -9.127 -3.695 3.095 1.00 0.00 O ATOM 1769 CB ILE A 112 -7.137 -1.700 1.146 1.00 0.00 C ATOM 1770 CG1 ILE A 112 -6.273 -1.721 -0.116 1.00 0.00 C ATOM 1771 CG2 ILE A 112 -6.280 -1.906 2.386 1.00 0.00 C ATOM 1772 CD1 ILE A 112 -5.623 -0.391 -0.425 1.00 0.00 C ATOM 0 H ILE A 112 -8.749 -1.873 -0.752 1.00 0.00 H new ATOM 0 HA ILE A 112 -7.756 -3.761 0.986 1.00 0.00 H new ATOM 0 HB ILE A 112 -7.617 -0.724 1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 112 -5.497 -2.478 -0.003 1.00 0.00 H new ATOM 0 HG13 ILE A 112 -6.889 -2.021 -0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 112 -5.512 -1.133 2.430 1.00 0.00 H new ATOM 0 HG22 ILE A 112 -6.907 -1.846 3.276 1.00 0.00 H new ATOM 0 HG23 ILE A 112 -5.806 -2.886 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 112 -5.026 -0.480 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 112 -6.394 0.366 -0.571 1.00 0.00 H new ATOM 0 HD13 ILE A 112 -4.980 -0.099 0.405 1.00 0.00 H new ATOM 1784 N GLN A 113 -9.741 -1.601 2.547 1.00 0.00 N ATOM 1785 CA GLN A 113 -10.587 -1.424 3.721 1.00 0.00 C ATOM 1786 C GLN A 113 -11.462 -2.652 3.951 1.00 0.00 C ATOM 1787 O GLN A 113 -11.650 -3.088 5.086 1.00 0.00 O ATOM 1788 CB GLN A 113 -11.464 -0.181 3.562 1.00 0.00 C ATOM 1789 CG GLN A 113 -10.741 1.118 3.881 1.00 0.00 C ATOM 1790 CD GLN A 113 -11.682 2.210 4.351 1.00 0.00 C ATOM 1791 OE1 GLN A 113 -12.781 1.933 4.833 1.00 0.00 O ATOM 1792 NE2 GLN A 113 -11.255 3.459 4.213 1.00 0.00 N ATOM 0 H GLN A 113 -9.710 -0.794 1.924 1.00 0.00 H new ATOM 0 HA GLN A 113 -9.939 -1.294 4.588 1.00 0.00 H new ATOM 0 HB2 GLN A 113 -11.837 -0.138 2.539 1.00 0.00 H new ATOM 0 HB3 GLN A 113 -12.333 -0.273 4.214 1.00 0.00 H new ATOM 0 HG2 GLN A 113 -9.992 0.933 4.651 1.00 0.00 H new ATOM 0 HG3 GLN A 113 -10.208 1.460 2.994 1.00 0.00 H new ATOM 0 HE21 GLN A 113 -10.337 3.642 3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 113 -11.845 4.236 4.512 1.00 0.00 H new ATOM 1801 N GLU A 114 -11.996 -3.204 2.866 1.00 0.00 N ATOM 1802 CA GLU A 114 -12.853 -4.381 2.950 1.00 0.00 C ATOM 1803 C GLU A 114 -12.099 -5.559 3.560 1.00 0.00 C ATOM 1804 O GLU A 114 -12.625 -6.271 4.416 1.00 0.00 O ATOM 1805 CB GLU A 114 -13.377 -4.758 1.563 1.00 0.00 C ATOM 1806 CG GLU A 114 -14.365 -3.755 0.992 1.00 0.00 C ATOM 1807 CD GLU A 114 -15.767 -3.943 1.537 1.00 0.00 C ATOM 1808 OE1 GLU A 114 -16.089 -5.069 1.971 1.00 0.00 O ATOM 1809 OE2 GLU A 114 -16.544 -2.964 1.528 1.00 0.00 O ATOM 0 H GLU A 114 -11.850 -2.855 1.919 1.00 0.00 H new ATOM 0 HA GLU A 114 -13.698 -4.139 3.595 1.00 0.00 H new ATOM 0 HB2 GLU A 114 -12.534 -4.854 0.879 1.00 0.00 H new ATOM 0 HB3 GLU A 114 -13.856 -5.736 1.618 1.00 0.00 H new ATOM 0 HG2 GLU A 114 -14.024 -2.745 1.218 1.00 0.00 H new ATOM 0 HG3 GLU A 114 -14.386 -3.849 -0.094 1.00 0.00 H new ATOM 1816 N SER A 115 -10.864 -5.760 3.111 1.00 0.00 N ATOM 1817 CA SER A 115 -10.039 -6.855 3.608 1.00 0.00 C ATOM 1818 C SER A 115 -9.511 -6.546 5.006 1.00 0.00 C ATOM 1819 O SER A 115 -9.282 -7.451 5.808 1.00 0.00 O ATOM 1820 CB SER A 115 -8.870 -7.114 2.655 1.00 0.00 C ATOM 1821 OG SER A 115 -9.284 -7.879 1.536 1.00 0.00 O ATOM 0 H SER A 115 -10.413 -5.179 2.404 1.00 0.00 H new ATOM 0 HA SER A 115 -10.660 -7.749 3.662 1.00 0.00 H new ATOM 0 HB2 SER A 115 -8.455 -6.164 2.317 1.00 0.00 H new ATOM 0 HB3 SER A 115 -8.075 -7.639 3.184 1.00 0.00 H new ATOM 0 HG SER A 115 -8.519 -8.029 0.942 1.00 0.00 H new ATOM 1827 N SER A 116 -9.321 -5.261 5.289 1.00 0.00 N ATOM 1828 CA SER A 116 -8.816 -4.832 6.588 1.00 0.00 C ATOM 1829 C SER A 116 -9.955 -4.344 7.479 1.00 0.00 C ATOM 1830 O SER A 116 -9.794 -3.398 8.249 1.00 0.00 O ATOM 1831 CB SER A 116 -7.778 -3.722 6.414 1.00 0.00 C ATOM 1832 OG SER A 116 -8.315 -2.631 5.687 1.00 0.00 O ATOM 0 H SER A 116 -9.509 -4.500 4.637 1.00 0.00 H new ATOM 0 HA SER A 116 -8.344 -5.689 7.068 1.00 0.00 H new ATOM 0 HB2 SER A 116 -7.439 -3.380 7.392 1.00 0.00 H new ATOM 0 HB3 SER A 116 -6.904 -4.115 5.894 1.00 0.00 H new ATOM 0 HG SER A 116 -7.719 -1.858 5.770 1.00 0.00 H new ATOM 1838 N ASN A 117 -11.107 -4.997 7.366 1.00 0.00 N ATOM 1839 CA ASN A 117 -12.274 -4.630 8.160 1.00 0.00 C ATOM 1840 C ASN A 117 -12.470 -5.601 9.321 1.00 0.00 C ATOM 1841 O ASN A 117 -11.917 -6.702 9.324 1.00 0.00 O ATOM 1842 CB ASN A 117 -13.528 -4.608 7.283 1.00 0.00 C ATOM 1843 CG ASN A 117 -14.223 -5.955 7.233 1.00 0.00 C ATOM 1844 OD1 ASN A 117 -13.524 -6.963 6.722 1.00 0.00 O flip ATOM 1845 ND2 ASN A 117 -15.373 -6.088 7.650 1.00 0.00 N flip ATOM 0 H ASN A 117 -11.257 -5.782 6.733 1.00 0.00 H new ATOM 0 HA ASN A 117 -12.105 -3.633 8.567 1.00 0.00 H new ATOM 0 HB2 ASN A 117 -14.221 -3.858 7.664 1.00 0.00 H new ATOM 0 HB3 ASN A 117 -13.256 -4.305 6.272 1.00 0.00 H new ATOM 0 HD21 ASN A 117 -15.872 -5.286 8.034 1.00 0.00 H new ATOM 0 HD22 ASN A 117 -15.827 -7.000 7.611 1.00 0.00 H new ATOM 1852 N LEU A 118 -13.259 -5.186 10.306 1.00 0.00 N ATOM 1853 CA LEU A 118 -13.528 -6.019 11.473 1.00 0.00 C ATOM 1854 C LEU A 118 -14.756 -6.895 11.245 1.00 0.00 C ATOM 1855 O LEU A 118 -14.737 -8.092 11.526 1.00 0.00 O ATOM 1856 CB LEU A 118 -13.735 -5.144 12.711 1.00 0.00 C ATOM 1857 CG LEU A 118 -12.607 -4.164 13.036 1.00 0.00 C ATOM 1858 CD1 LEU A 118 -13.157 -2.931 13.736 1.00 0.00 C ATOM 1859 CD2 LEU A 118 -11.546 -4.838 13.894 1.00 0.00 C ATOM 0 H LEU A 118 -13.724 -4.278 10.320 1.00 0.00 H new ATOM 0 HA LEU A 118 -12.666 -6.667 11.633 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -14.656 -4.576 12.580 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -13.882 -5.796 13.572 1.00 0.00 H new ATOM 0 HG LEU A 118 -12.144 -3.849 12.101 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -12.340 -2.245 13.960 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -13.879 -2.436 13.087 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -13.646 -3.227 14.664 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -10.751 -4.126 14.116 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -11.996 -5.181 14.826 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -11.130 -5.690 13.356 1.00 0.00 H new ATOM 1871 N ASN A 119 -15.822 -6.289 10.731 1.00 0.00 N ATOM 1872 CA ASN A 119 -17.058 -7.015 10.463 1.00 0.00 C ATOM 1873 C ASN A 119 -16.922 -7.878 9.212 1.00 0.00 C ATOM 1874 O ASN A 119 -17.292 -7.462 8.115 1.00 0.00 O ATOM 1875 CB ASN A 119 -18.222 -6.037 10.296 1.00 0.00 C ATOM 1876 CG ASN A 119 -18.287 -5.019 11.419 1.00 0.00 C ATOM 1877 OD1 ASN A 119 -17.606 -3.993 11.381 1.00 0.00 O ATOM 1878 ND2 ASN A 119 -19.107 -5.298 12.424 1.00 0.00 N ATOM 0 H ASN A 119 -15.854 -5.298 10.492 1.00 0.00 H new ATOM 0 HA ASN A 119 -17.258 -7.667 11.313 1.00 0.00 H new ATOM 0 HB2 ASN A 119 -18.122 -5.517 9.343 1.00 0.00 H new ATOM 0 HB3 ASN A 119 -19.158 -6.594 10.259 1.00 0.00 H new ATOM 0 HD21 ASN A 119 -19.192 -4.650 13.207 1.00 0.00 H new ATOM 0 HD22 ASN A 119 -19.652 -6.160 12.413 1.00 0.00 H new ATOM 1885 N SER A 120 -16.389 -9.084 9.387 1.00 0.00 N ATOM 1886 CA SER A 120 -16.201 -10.005 8.272 1.00 0.00 C ATOM 1887 C SER A 120 -17.048 -11.261 8.457 1.00 0.00 C ATOM 1888 O SER A 120 -17.098 -11.835 9.544 1.00 0.00 O ATOM 1889 CB SER A 120 -14.725 -10.386 8.141 1.00 0.00 C ATOM 1890 OG SER A 120 -14.440 -10.884 6.845 1.00 0.00 O ATOM 0 H SER A 120 -16.080 -9.445 10.289 1.00 0.00 H new ATOM 0 HA SER A 120 -16.521 -9.503 7.359 1.00 0.00 H new ATOM 0 HB2 SER A 120 -14.102 -9.515 8.345 1.00 0.00 H new ATOM 0 HB3 SER A 120 -14.473 -11.140 8.887 1.00 0.00 H new ATOM 0 HG SER A 120 -13.490 -11.119 6.786 1.00 0.00 H new ATOM 1896 N GLY A 121 -17.712 -11.682 7.384 1.00 0.00 N ATOM 1897 CA GLY A 121 -18.548 -12.866 7.448 1.00 0.00 C ATOM 1898 C GLY A 121 -18.065 -13.967 6.524 1.00 0.00 C ATOM 1899 O GLY A 121 -16.898 -14.011 6.133 1.00 0.00 O ATOM 0 H GLY A 121 -17.686 -11.224 6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -18.568 -13.238 8.472 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -19.572 -12.599 7.186 1.00 0.00 H new ATOM 1903 N PRO A 122 -18.975 -14.884 6.163 1.00 0.00 N ATOM 1904 CA PRO A 122 -18.658 -16.008 5.277 1.00 0.00 C ATOM 1905 C PRO A 122 -18.397 -15.559 3.843 1.00 0.00 C ATOM 1906 O PRO A 122 -18.132 -16.380 2.964 1.00 0.00 O ATOM 1907 CB PRO A 122 -19.915 -16.878 5.344 1.00 0.00 C ATOM 1908 CG PRO A 122 -21.010 -15.935 5.706 1.00 0.00 C ATOM 1909 CD PRO A 122 -20.383 -14.894 6.592 1.00 0.00 C ATOM 0 HA PRO A 122 -17.749 -16.525 5.583 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -20.111 -17.364 4.388 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -19.811 -17.668 6.088 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -21.444 -15.480 4.815 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -21.817 -16.454 6.224 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -20.851 -13.918 6.459 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -20.480 -15.153 7.646 1.00 0.00 H new ATOM 1917 N SER A 123 -18.472 -14.252 3.614 1.00 0.00 N ATOM 1918 CA SER A 123 -18.247 -13.695 2.285 1.00 0.00 C ATOM 1919 C SER A 123 -17.106 -14.420 1.578 1.00 0.00 C ATOM 1920 O SER A 123 -17.228 -14.809 0.416 1.00 0.00 O ATOM 1921 CB SER A 123 -17.934 -12.201 2.382 1.00 0.00 C ATOM 1922 OG SER A 123 -19.122 -11.436 2.489 1.00 0.00 O ATOM 0 H SER A 123 -18.687 -13.559 4.331 1.00 0.00 H new ATOM 0 HA SER A 123 -19.158 -13.831 1.702 1.00 0.00 H new ATOM 0 HB2 SER A 123 -17.299 -12.015 3.248 1.00 0.00 H new ATOM 0 HB3 SER A 123 -17.373 -11.886 1.502 1.00 0.00 H new ATOM 0 HG SER A 123 -18.894 -10.485 2.551 1.00 0.00 H new ATOM 1928 N SER A 124 -15.997 -14.600 2.288 1.00 0.00 N ATOM 1929 CA SER A 124 -14.832 -15.275 1.729 1.00 0.00 C ATOM 1930 C SER A 124 -14.993 -16.790 1.805 1.00 0.00 C ATOM 1931 O SER A 124 -14.716 -17.404 2.834 1.00 0.00 O ATOM 1932 CB SER A 124 -13.563 -14.848 2.470 1.00 0.00 C ATOM 1933 OG SER A 124 -12.427 -14.933 1.628 1.00 0.00 O ATOM 0 H SER A 124 -15.881 -14.288 3.252 1.00 0.00 H new ATOM 0 HA SER A 124 -14.746 -14.988 0.681 1.00 0.00 H new ATOM 0 HB2 SER A 124 -13.676 -13.826 2.831 1.00 0.00 H new ATOM 0 HB3 SER A 124 -13.419 -15.481 3.345 1.00 0.00 H new ATOM 0 HG SER A 124 -11.630 -14.653 2.125 1.00 0.00 H new ATOM 1939 N GLY A 125 -15.445 -17.387 0.706 1.00 0.00 N ATOM 1940 CA GLY A 125 -15.636 -18.825 0.668 1.00 0.00 C ATOM 1941 C GLY A 125 -14.953 -19.470 -0.521 1.00 0.00 C ATOM 1942 O GLY A 125 -15.599 -19.788 -1.520 1.00 0.00 O ATOM 0 H GLY A 125 -15.682 -16.900 -0.158 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -15.249 -19.264 1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -16.703 -19.046 0.634 1.00 0.00 H new TER 1946 GLY A 125