USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 941 hydrogens (8 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 NoAdj-H: B 4 PTR HN2 : B 4 PTR N : B 3 ASP C :(H bumps) USER MOD Set 1.1: A 92 LYS NZ :NH3+ 146:sc= -0.0662 (180deg=0) USER MOD Set 1.2: A 93 MET CE :methyl 165:sc= -4.67! (180deg=-5.74!) USER MOD Set 2.1: A 72 SER OG : rot -150:sc= 0.489 USER MOD Set 2.2: A 83 TYR OH : rot -61:sc= -3.33! USER MOD Set 3.1: A 17 THR OG1 : rot 180:sc= -0.79 USER MOD Set 3.2: A 20 GLN : amide:sc= 0 X(o=-0.79,f=-0.95) USER MOD Single : A 1 GLY N :NH3+ -171:sc= 0 (180deg=-0.0511) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -0.231 X(o=-0.23,f=-0.46) USER MOD Single : A 8 SER OG : rot 180:sc= -0.0037 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HD1:sc= -2.12 K(o=-2.1,f=-0.4) USER MOD Single : A 15 SER OG : rot 3:sc= 0.941 USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -118:sc= 0.0183 (180deg=0) USER MOD Single : A 40 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 ASN : amide:sc= -0.811 K(o=-0.81,f=-3!) USER MOD Single : A 44 SER OG : rot 180:sc= -0.51 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0.0575 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -161:sc= -3.96! (180deg=-5.78!) USER MOD Single : A 57 HIS : no HE2:sc= -9.04! C(o=-9!,f=-13!) USER MOD Single : A 58 CYS SG : rot 133:sc= -11! USER MOD Single : A 61 GLN : amide:sc= -0.0411 X(o=-0.041,f=-0.5) USER MOD Single : A 62 GLN : amide:sc= -12.9! C(o=-13!,f=-18!) USER MOD Single : A 65 GLN : amide:sc= -0.116 X(o=-0.12,f=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -0.299 K(o=-0.3,f=-1.3!) USER MOD Single : A 76 SER OG : rot -130:sc= -4! USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 86 LYS NZ :NH3+ -151:sc= -1.15 (180deg=-2.71!) USER MOD Single : A 87 HIS : no HD1:sc= -2.19! C(o=-2.2!,f=-3.2!) USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 116:sc= 0.5 USER MOD Single : A 100 ASN : amide:sc= -1.59 K(o=-1.6,f=-6.9!) USER MOD Single : A 103 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : B 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 ASN : amide:sc= 0.0389 K(o=0.039,f=-0.62) USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.280 11.614 8.483 1.00 0.00 N ATOM 2 CA GLY A 1 -9.605 11.860 9.122 1.00 0.00 C ATOM 3 C GLY A 1 -10.570 12.449 8.091 1.00 0.00 C ATOM 4 O GLY A 1 -11.156 11.739 7.299 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.674 11.076 9.136 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.413 11.070 7.607 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.828 12.524 8.261 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.007 10.928 9.520 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.493 12.544 9.963 1.00 0.00 H new ATOM 10 N SER A 2 -10.738 13.743 8.094 1.00 0.00 N ATOM 11 CA SER A 2 -11.665 14.375 7.114 1.00 0.00 C ATOM 12 C SER A 2 -11.229 14.019 5.691 1.00 0.00 C ATOM 13 O SER A 2 -12.021 13.549 4.900 1.00 0.00 O ATOM 14 CB SER A 2 -11.637 15.894 7.293 1.00 0.00 C ATOM 15 OG SER A 2 -12.961 16.364 7.517 1.00 0.00 O ATOM 0 H SER A 2 -10.274 14.389 8.732 1.00 0.00 H new ATOM 0 HA SER A 2 -12.677 14.007 7.284 1.00 0.00 H new ATOM 0 HB2 SER A 2 -10.997 16.161 8.134 1.00 0.00 H new ATOM 0 HB3 SER A 2 -11.215 16.369 6.407 1.00 0.00 H new ATOM 0 HG SER A 2 -12.947 17.337 7.634 1.00 0.00 H new ATOM 21 N PRO A 3 -9.975 14.257 5.414 1.00 0.00 N ATOM 22 CA PRO A 3 -9.333 13.990 4.101 1.00 0.00 C ATOM 23 C PRO A 3 -8.997 12.502 3.970 1.00 0.00 C ATOM 24 O PRO A 3 -7.940 12.057 4.369 1.00 0.00 O ATOM 25 CB PRO A 3 -8.058 14.828 4.091 1.00 0.00 C ATOM 26 CG PRO A 3 -7.703 15.081 5.560 1.00 0.00 C ATOM 27 CD PRO A 3 -8.985 14.831 6.368 1.00 0.00 C ATOM 0 HA PRO A 3 -9.988 14.246 3.268 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -7.251 14.303 3.580 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -8.213 15.767 3.560 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.903 14.416 5.886 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.347 16.101 5.703 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -8.797 14.144 7.193 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -9.357 15.758 6.804 1.00 0.00 H new ATOM 35 N GLY A 4 -9.891 11.731 3.415 1.00 0.00 N ATOM 36 CA GLY A 4 -9.626 10.272 3.260 1.00 0.00 C ATOM 37 C GLY A 4 -10.921 9.557 2.878 1.00 0.00 C ATOM 38 O GLY A 4 -10.930 8.666 2.052 1.00 0.00 O ATOM 0 H GLY A 4 -10.794 12.048 3.062 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.868 10.109 2.494 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.232 9.862 4.190 1.00 0.00 H new ATOM 42 N ILE A 5 -12.019 9.941 3.471 1.00 0.00 N ATOM 43 CA ILE A 5 -13.314 9.284 3.140 1.00 0.00 C ATOM 44 C ILE A 5 -13.587 9.429 1.643 1.00 0.00 C ATOM 45 O ILE A 5 -13.636 10.522 1.114 1.00 0.00 O ATOM 46 CB ILE A 5 -14.440 9.952 3.932 1.00 0.00 C ATOM 47 CG1 ILE A 5 -14.175 9.788 5.430 1.00 0.00 C ATOM 48 CG2 ILE A 5 -15.774 9.297 3.577 1.00 0.00 C ATOM 49 CD1 ILE A 5 -14.037 11.166 6.079 1.00 0.00 C ATOM 0 H ILE A 5 -12.074 10.681 4.170 1.00 0.00 H new ATOM 0 HA ILE A 5 -13.265 8.227 3.400 1.00 0.00 H new ATOM 0 HB ILE A 5 -14.479 11.012 3.682 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -14.991 9.235 5.896 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -13.266 9.208 5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -16.575 9.774 4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -15.964 9.413 2.510 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -15.736 8.236 3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -13.848 11.048 7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -13.206 11.703 5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -14.958 11.731 5.934 1.00 0.00 H new ATOM 61 N HIS A 6 -13.765 8.336 0.954 1.00 0.00 N ATOM 62 CA HIS A 6 -14.033 8.413 -0.510 1.00 0.00 C ATOM 63 C HIS A 6 -12.898 9.179 -1.196 1.00 0.00 C ATOM 64 O HIS A 6 -11.897 8.608 -1.580 1.00 0.00 O ATOM 65 CB HIS A 6 -15.358 9.141 -0.747 1.00 0.00 C ATOM 66 CG HIS A 6 -16.501 8.183 -0.558 1.00 0.00 C ATOM 67 ND1 HIS A 6 -16.308 6.876 -0.138 1.00 0.00 N ATOM 68 CD2 HIS A 6 -17.857 8.326 -0.726 1.00 0.00 C ATOM 69 CE1 HIS A 6 -17.518 6.289 -0.068 1.00 0.00 C ATOM 70 NE2 HIS A 6 -18.496 7.129 -0.416 1.00 0.00 N ATOM 0 H HIS A 6 -13.737 7.393 1.341 1.00 0.00 H new ATOM 0 HA HIS A 6 -14.093 7.406 -0.923 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -15.454 9.978 -0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -15.381 9.556 -1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -18.352 9.230 -1.049 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -17.678 5.264 0.233 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -19.497 6.935 -0.448 1.00 0.00 H new ATOM 78 N GLU A 7 -13.044 10.467 -1.353 1.00 0.00 N ATOM 79 CA GLU A 7 -11.971 11.263 -2.013 1.00 0.00 C ATOM 80 C GLU A 7 -10.697 11.203 -1.168 1.00 0.00 C ATOM 81 O GLU A 7 -10.736 11.340 0.040 1.00 0.00 O ATOM 82 CB GLU A 7 -12.426 12.718 -2.148 1.00 0.00 C ATOM 83 CG GLU A 7 -12.646 13.049 -3.625 1.00 0.00 C ATOM 84 CD GLU A 7 -13.761 14.088 -3.755 1.00 0.00 C ATOM 85 OE1 GLU A 7 -13.644 15.134 -3.139 1.00 0.00 O ATOM 86 OE2 GLU A 7 -14.713 13.820 -4.470 1.00 0.00 O ATOM 0 H GLU A 7 -13.859 11.002 -1.053 1.00 0.00 H new ATOM 0 HA GLU A 7 -11.770 10.852 -3.002 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -13.348 12.875 -1.588 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -11.677 13.385 -1.723 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -11.725 13.432 -4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -12.910 12.146 -4.176 1.00 0.00 H new ATOM 93 N SER A 8 -9.568 11.003 -1.790 1.00 0.00 N ATOM 94 CA SER A 8 -8.295 10.936 -1.019 1.00 0.00 C ATOM 95 C SER A 8 -7.166 11.565 -1.838 1.00 0.00 C ATOM 96 O SER A 8 -7.252 11.681 -3.045 1.00 0.00 O ATOM 97 CB SER A 8 -7.957 9.474 -0.721 1.00 0.00 C ATOM 98 OG SER A 8 -9.031 8.881 -0.005 1.00 0.00 O ATOM 0 H SER A 8 -9.472 10.883 -2.798 1.00 0.00 H new ATOM 0 HA SER A 8 -8.409 11.481 -0.082 1.00 0.00 H new ATOM 0 HB2 SER A 8 -7.781 8.932 -1.651 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.038 9.413 -0.138 1.00 0.00 H new ATOM 0 HG SER A 8 -8.818 7.944 0.186 1.00 0.00 H new ATOM 104 N LYS A 9 -6.109 11.976 -1.191 1.00 0.00 N ATOM 105 CA LYS A 9 -4.977 12.600 -1.932 1.00 0.00 C ATOM 106 C LYS A 9 -3.805 12.823 -0.974 1.00 0.00 C ATOM 107 O LYS A 9 -3.772 13.783 -0.231 1.00 0.00 O ATOM 108 CB LYS A 9 -5.424 13.944 -2.510 1.00 0.00 C ATOM 109 CG LYS A 9 -4.253 14.603 -3.240 1.00 0.00 C ATOM 110 CD LYS A 9 -4.774 15.745 -4.114 1.00 0.00 C ATOM 111 CE LYS A 9 -4.984 16.992 -3.254 1.00 0.00 C ATOM 112 NZ LYS A 9 -6.437 17.315 -3.197 1.00 0.00 N ATOM 0 H LYS A 9 -5.981 11.906 -0.181 1.00 0.00 H new ATOM 0 HA LYS A 9 -4.666 11.941 -2.743 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -6.257 13.797 -3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -5.780 14.594 -1.711 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -3.529 14.984 -2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.734 13.868 -3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -4.065 15.957 -4.914 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -5.712 15.455 -4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -4.598 16.823 -2.249 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -4.429 17.833 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -6.581 18.163 -2.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -6.791 17.493 -4.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -6.954 16.515 -2.780 1.00 0.00 H new ATOM 126 N GLU A 10 -2.841 11.944 -0.988 1.00 0.00 N ATOM 127 CA GLU A 10 -1.671 12.104 -0.079 1.00 0.00 C ATOM 128 C GLU A 10 -0.803 10.846 -0.134 1.00 0.00 C ATOM 129 O GLU A 10 0.390 10.894 0.087 1.00 0.00 O ATOM 130 CB GLU A 10 -2.163 12.318 1.355 1.00 0.00 C ATOM 131 CG GLU A 10 -1.591 13.628 1.901 1.00 0.00 C ATOM 132 CD GLU A 10 -1.327 13.484 3.400 1.00 0.00 C ATOM 133 OE1 GLU A 10 -1.468 12.382 3.903 1.00 0.00 O ATOM 134 OE2 GLU A 10 -0.988 14.478 4.021 1.00 0.00 O ATOM 0 H GLU A 10 -2.813 11.121 -1.590 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.083 12.966 -0.396 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.252 12.348 1.376 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.854 11.484 1.985 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -0.667 13.878 1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.289 14.445 1.721 1.00 0.00 H new ATOM 141 N TRP A 11 -1.392 9.717 -0.424 1.00 0.00 N ATOM 142 CA TRP A 11 -0.594 8.460 -0.486 1.00 0.00 C ATOM 143 C TRP A 11 -0.897 7.703 -1.787 1.00 0.00 C ATOM 144 O TRP A 11 -0.094 6.919 -2.253 1.00 0.00 O ATOM 145 CB TRP A 11 -0.923 7.571 0.723 1.00 0.00 C ATOM 146 CG TRP A 11 -2.380 7.663 1.066 1.00 0.00 C ATOM 147 CD1 TRP A 11 -3.028 8.792 1.437 1.00 0.00 C ATOM 148 CD2 TRP A 11 -3.374 6.598 1.092 1.00 0.00 C ATOM 149 NE1 TRP A 11 -4.356 8.491 1.674 1.00 0.00 N ATOM 150 CE2 TRP A 11 -4.619 7.149 1.477 1.00 0.00 C ATOM 151 CE3 TRP A 11 -3.317 5.220 0.817 1.00 0.00 C ATOM 152 CZ2 TRP A 11 -5.766 6.361 1.585 1.00 0.00 C ATOM 153 CZ3 TRP A 11 -4.468 4.424 0.926 1.00 0.00 C ATOM 154 CH2 TRP A 11 -5.690 4.994 1.308 1.00 0.00 C ATOM 0 H TRP A 11 -2.387 9.611 -0.620 1.00 0.00 H new ATOM 0 HA TRP A 11 0.465 8.715 -0.465 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.661 6.536 0.502 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -0.322 7.876 1.580 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -2.580 9.770 1.532 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.056 9.176 1.959 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.381 4.771 0.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -6.705 6.805 1.881 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -4.412 3.366 0.714 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -6.573 4.377 1.388 1.00 0.00 H new ATOM 165 N TYR A 12 -2.041 7.929 -2.380 1.00 0.00 N ATOM 166 CA TYR A 12 -2.373 7.217 -3.647 1.00 0.00 C ATOM 167 C TYR A 12 -1.741 7.959 -4.832 1.00 0.00 C ATOM 168 O TYR A 12 -1.716 9.173 -4.873 1.00 0.00 O ATOM 169 CB TYR A 12 -3.906 7.139 -3.802 1.00 0.00 C ATOM 170 CG TYR A 12 -4.426 8.284 -4.646 1.00 0.00 C ATOM 171 CD1 TYR A 12 -4.725 9.516 -4.052 1.00 0.00 C ATOM 172 CD2 TYR A 12 -4.608 8.108 -6.023 1.00 0.00 C ATOM 173 CE1 TYR A 12 -5.205 10.572 -4.836 1.00 0.00 C ATOM 174 CE2 TYR A 12 -5.089 9.165 -6.807 1.00 0.00 C ATOM 175 CZ TYR A 12 -5.387 10.397 -6.213 1.00 0.00 C ATOM 176 OH TYR A 12 -5.861 11.437 -6.985 1.00 0.00 O ATOM 0 H TYR A 12 -2.756 8.573 -2.042 1.00 0.00 H new ATOM 0 HA TYR A 12 -1.973 6.203 -3.622 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -4.181 6.190 -4.262 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -4.376 7.165 -2.819 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -4.585 9.652 -2.990 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -4.378 7.157 -6.481 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.435 11.523 -4.378 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.230 9.029 -7.869 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.927 11.147 -7.919 1.00 0.00 H new ATOM 186 N HIS A 13 -1.232 7.238 -5.794 1.00 0.00 N ATOM 187 CA HIS A 13 -0.605 7.901 -6.973 1.00 0.00 C ATOM 188 C HIS A 13 -1.428 7.600 -8.227 1.00 0.00 C ATOM 189 O HIS A 13 -2.046 6.560 -8.340 1.00 0.00 O ATOM 190 CB HIS A 13 0.819 7.370 -7.163 1.00 0.00 C ATOM 191 CG HIS A 13 1.612 7.583 -5.903 1.00 0.00 C ATOM 192 ND1 HIS A 13 2.880 7.048 -5.730 1.00 0.00 N ATOM 193 CD2 HIS A 13 1.335 8.268 -4.746 1.00 0.00 C ATOM 194 CE1 HIS A 13 3.313 7.417 -4.512 1.00 0.00 C ATOM 195 NE2 HIS A 13 2.411 8.161 -3.869 1.00 0.00 N ATOM 0 H HIS A 13 -1.223 6.218 -5.814 1.00 0.00 H new ATOM 0 HA HIS A 13 -0.574 8.978 -6.806 1.00 0.00 H new ATOM 0 HB2 HIS A 13 0.792 6.309 -7.412 1.00 0.00 H new ATOM 0 HB3 HIS A 13 1.300 7.881 -7.997 1.00 0.00 H new ATOM 0 HD2 HIS A 13 0.421 8.808 -4.546 1.00 0.00 H new ATOM 0 HE1 HIS A 13 4.275 7.144 -4.103 1.00 0.00 H new ATOM 0 HE2 HIS A 13 2.492 8.565 -2.936 1.00 0.00 H new ATOM 203 N ALA A 14 -1.437 8.500 -9.171 1.00 0.00 N ATOM 204 CA ALA A 14 -2.217 8.264 -10.419 1.00 0.00 C ATOM 205 C ALA A 14 -1.823 9.303 -11.469 1.00 0.00 C ATOM 206 O ALA A 14 -2.662 9.869 -12.142 1.00 0.00 O ATOM 207 CB ALA A 14 -3.712 8.386 -10.117 1.00 0.00 C ATOM 0 H ALA A 14 -0.938 9.389 -9.132 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.003 7.265 -10.798 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.283 8.214 -11.029 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.993 7.646 -9.368 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -3.926 9.385 -9.738 1.00 0.00 H new ATOM 213 N SER A 15 -0.552 9.559 -11.618 1.00 0.00 N ATOM 214 CA SER A 15 -0.107 10.562 -12.626 1.00 0.00 C ATOM 215 C SER A 15 1.388 10.385 -12.899 1.00 0.00 C ATOM 216 O SER A 15 1.792 10.022 -13.985 1.00 0.00 O ATOM 217 CB SER A 15 -0.365 11.970 -12.091 1.00 0.00 C ATOM 218 OG SER A 15 -1.764 12.224 -12.094 1.00 0.00 O ATOM 0 H SER A 15 0.197 9.117 -11.085 1.00 0.00 H new ATOM 0 HA SER A 15 -0.663 10.417 -13.552 1.00 0.00 H new ATOM 0 HB2 SER A 15 0.032 12.066 -11.080 1.00 0.00 H new ATOM 0 HB3 SER A 15 0.151 12.706 -12.707 1.00 0.00 H new ATOM 0 HG SER A 15 -2.241 11.424 -12.398 1.00 0.00 H new ATOM 224 N LEU A 16 2.215 10.641 -11.921 1.00 0.00 N ATOM 225 CA LEU A 16 3.682 10.488 -12.127 1.00 0.00 C ATOM 226 C LEU A 16 3.989 9.055 -12.566 1.00 0.00 C ATOM 227 O LEU A 16 3.149 8.180 -12.491 1.00 0.00 O ATOM 228 CB LEU A 16 4.417 10.790 -10.819 1.00 0.00 C ATOM 229 CG LEU A 16 3.929 9.837 -9.727 1.00 0.00 C ATOM 230 CD1 LEU A 16 4.902 8.663 -9.602 1.00 0.00 C ATOM 231 CD2 LEU A 16 3.861 10.584 -8.393 1.00 0.00 C ATOM 0 H LEU A 16 1.937 10.949 -10.989 1.00 0.00 H new ATOM 0 HA LEU A 16 4.014 11.183 -12.898 1.00 0.00 H new ATOM 0 HB2 LEU A 16 5.492 10.679 -10.960 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.240 11.823 -10.520 1.00 0.00 H new ATOM 0 HG LEU A 16 2.939 9.463 -9.987 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.554 7.984 -8.824 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.954 8.131 -10.552 1.00 0.00 H new ATOM 0 HD13 LEU A 16 5.892 9.037 -9.341 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.513 9.906 -7.614 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.852 10.957 -8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.169 11.422 -8.480 1.00 0.00 H new ATOM 243 N THR A 17 5.185 8.806 -13.026 1.00 0.00 N ATOM 244 CA THR A 17 5.542 7.429 -13.468 1.00 0.00 C ATOM 245 C THR A 17 5.331 6.452 -12.310 1.00 0.00 C ATOM 246 O THR A 17 5.841 6.644 -11.224 1.00 0.00 O ATOM 247 CB THR A 17 7.008 7.395 -13.904 1.00 0.00 C ATOM 248 OG1 THR A 17 7.697 8.498 -13.330 1.00 0.00 O ATOM 249 CG2 THR A 17 7.091 7.477 -15.429 1.00 0.00 C ATOM 0 H THR A 17 5.930 9.497 -13.115 1.00 0.00 H new ATOM 0 HA THR A 17 4.908 7.141 -14.307 1.00 0.00 H new ATOM 0 HB THR A 17 7.466 6.465 -13.567 1.00 0.00 H new ATOM 0 HG1 THR A 17 8.637 8.477 -13.607 1.00 0.00 H new ATOM 0 HG21 THR A 17 8.136 7.453 -15.738 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.563 6.631 -15.868 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.634 8.406 -15.769 1.00 0.00 H new ATOM 257 N ARG A 18 4.583 5.407 -12.531 1.00 0.00 N ATOM 258 CA ARG A 18 4.341 4.422 -11.440 1.00 0.00 C ATOM 259 C ARG A 18 5.596 3.569 -11.237 1.00 0.00 C ATOM 260 O ARG A 18 5.946 3.218 -10.128 1.00 0.00 O ATOM 261 CB ARG A 18 3.166 3.518 -11.820 1.00 0.00 C ATOM 262 CG ARG A 18 1.911 4.370 -12.019 1.00 0.00 C ATOM 263 CD ARG A 18 1.042 3.751 -13.115 1.00 0.00 C ATOM 264 NE ARG A 18 1.048 4.638 -14.312 1.00 0.00 N ATOM 265 CZ ARG A 18 0.626 4.186 -15.462 1.00 0.00 C ATOM 266 NH1 ARG A 18 -0.128 3.122 -15.507 1.00 0.00 N ATOM 267 NH2 ARG A 18 0.959 4.798 -16.565 1.00 0.00 N ATOM 0 H ARG A 18 4.129 5.193 -13.419 1.00 0.00 H new ATOM 0 HA ARG A 18 4.107 4.952 -10.517 1.00 0.00 H new ATOM 0 HB2 ARG A 18 3.395 2.970 -12.734 1.00 0.00 H new ATOM 0 HB3 ARG A 18 2.996 2.777 -11.039 1.00 0.00 H new ATOM 0 HG2 ARG A 18 1.349 4.432 -11.087 1.00 0.00 H new ATOM 0 HG3 ARG A 18 2.189 5.388 -12.292 1.00 0.00 H new ATOM 0 HD2 ARG A 18 1.419 2.763 -13.379 1.00 0.00 H new ATOM 0 HD3 ARG A 18 0.023 3.617 -12.753 1.00 0.00 H new ATOM 0 HE ARG A 18 1.382 5.599 -14.233 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.387 2.644 -14.644 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.458 2.768 -16.405 1.00 0.00 H new ATOM 0 HH21 ARG A 18 1.549 5.629 -16.529 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.629 4.445 -17.463 1.00 0.00 H new ATOM 281 N ALA A 19 6.276 3.234 -12.299 1.00 0.00 N ATOM 282 CA ALA A 19 7.508 2.405 -12.166 1.00 0.00 C ATOM 283 C ALA A 19 8.602 3.227 -11.481 1.00 0.00 C ATOM 284 O ALA A 19 9.483 2.692 -10.838 1.00 0.00 O ATOM 285 CB ALA A 19 7.987 1.975 -13.554 1.00 0.00 C ATOM 0 H ALA A 19 6.032 3.498 -13.253 1.00 0.00 H new ATOM 0 HA ALA A 19 7.288 1.520 -11.568 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.888 1.369 -13.456 1.00 0.00 H new ATOM 0 HB2 ALA A 19 7.208 1.391 -14.043 1.00 0.00 H new ATOM 0 HB3 ALA A 19 8.207 2.859 -14.153 1.00 0.00 H new ATOM 291 N GLN A 20 8.552 4.524 -11.614 1.00 0.00 N ATOM 292 CA GLN A 20 9.586 5.380 -10.969 1.00 0.00 C ATOM 293 C GLN A 20 9.491 5.234 -9.450 1.00 0.00 C ATOM 294 O GLN A 20 10.421 5.534 -8.728 1.00 0.00 O ATOM 295 CB GLN A 20 9.352 6.842 -11.358 1.00 0.00 C ATOM 296 CG GLN A 20 10.605 7.398 -12.037 1.00 0.00 C ATOM 297 CD GLN A 20 10.829 8.844 -11.590 1.00 0.00 C ATOM 298 OE1 GLN A 20 9.890 9.601 -11.445 1.00 0.00 O ATOM 299 NE2 GLN A 20 12.045 9.264 -11.364 1.00 0.00 N ATOM 0 H GLN A 20 7.839 5.028 -12.142 1.00 0.00 H new ATOM 0 HA GLN A 20 10.576 5.070 -11.303 1.00 0.00 H new ATOM 0 HB2 GLN A 20 8.497 6.918 -12.030 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.114 7.431 -10.472 1.00 0.00 H new ATOM 0 HG2 GLN A 20 11.471 6.788 -11.780 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.494 7.354 -13.120 1.00 0.00 H new ATOM 0 HE21 GLN A 20 12.834 8.630 -11.485 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.205 10.226 -11.066 1.00 0.00 H new ATOM 308 N ALA A 21 8.372 4.774 -8.959 1.00 0.00 N ATOM 309 CA ALA A 21 8.216 4.609 -7.486 1.00 0.00 C ATOM 310 C ALA A 21 9.201 3.552 -6.983 1.00 0.00 C ATOM 311 O ALA A 21 9.691 3.627 -5.875 1.00 0.00 O ATOM 312 CB ALA A 21 6.785 4.164 -7.173 1.00 0.00 C ATOM 0 H ALA A 21 7.560 4.506 -9.514 1.00 0.00 H new ATOM 0 HA ALA A 21 8.419 5.558 -6.990 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.669 4.043 -6.096 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.083 4.917 -7.531 1.00 0.00 H new ATOM 0 HB3 ALA A 21 6.583 3.215 -7.669 1.00 0.00 H new ATOM 318 N GLU A 22 9.495 2.568 -7.789 1.00 0.00 N ATOM 319 CA GLU A 22 10.449 1.509 -7.355 1.00 0.00 C ATOM 320 C GLU A 22 11.842 2.118 -7.180 1.00 0.00 C ATOM 321 O GLU A 22 12.555 1.809 -6.245 1.00 0.00 O ATOM 322 CB GLU A 22 10.504 0.405 -8.414 1.00 0.00 C ATOM 323 CG GLU A 22 9.216 -0.422 -8.360 1.00 0.00 C ATOM 324 CD GLU A 22 8.157 0.225 -9.255 1.00 0.00 C ATOM 325 OE1 GLU A 22 7.498 1.141 -8.791 1.00 0.00 O ATOM 326 OE2 GLU A 22 8.024 -0.206 -10.388 1.00 0.00 O ATOM 0 H GLU A 22 9.116 2.452 -8.729 1.00 0.00 H new ATOM 0 HA GLU A 22 10.115 1.086 -6.407 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.626 0.843 -9.405 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.368 -0.237 -8.241 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.412 -1.442 -8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 22 8.853 -0.483 -7.334 1.00 0.00 H new ATOM 333 N HIS A 23 12.238 2.983 -8.074 1.00 0.00 N ATOM 334 CA HIS A 23 13.585 3.611 -7.962 1.00 0.00 C ATOM 335 C HIS A 23 13.614 4.551 -6.754 1.00 0.00 C ATOM 336 O HIS A 23 14.653 4.804 -6.179 1.00 0.00 O ATOM 337 CB HIS A 23 13.885 4.405 -9.234 1.00 0.00 C ATOM 338 CG HIS A 23 14.395 3.474 -10.298 1.00 0.00 C ATOM 339 ND1 HIS A 23 13.543 2.742 -11.110 1.00 0.00 N ATOM 340 CD2 HIS A 23 15.667 3.143 -10.696 1.00 0.00 C ATOM 341 CE1 HIS A 23 14.305 2.014 -11.947 1.00 0.00 C ATOM 342 NE2 HIS A 23 15.608 2.221 -11.737 1.00 0.00 N ATOM 0 H HIS A 23 11.686 3.282 -8.878 1.00 0.00 H new ATOM 0 HA HIS A 23 14.338 2.833 -7.833 1.00 0.00 H new ATOM 0 HB2 HIS A 23 12.984 4.911 -9.580 1.00 0.00 H new ATOM 0 HB3 HIS A 23 14.625 5.178 -9.027 1.00 0.00 H new ATOM 0 HD2 HIS A 23 16.576 3.538 -10.266 1.00 0.00 H new ATOM 0 HE1 HIS A 23 13.911 1.344 -12.697 1.00 0.00 H new ATOM 0 HE2 HIS A 23 16.391 1.795 -12.233 1.00 0.00 H new ATOM 350 N MET A 24 12.482 5.070 -6.366 1.00 0.00 N ATOM 351 CA MET A 24 12.450 5.992 -5.195 1.00 0.00 C ATOM 352 C MET A 24 12.373 5.176 -3.904 1.00 0.00 C ATOM 353 O MET A 24 12.725 5.645 -2.840 1.00 0.00 O ATOM 354 CB MET A 24 11.226 6.904 -5.297 1.00 0.00 C ATOM 355 CG MET A 24 11.237 7.626 -6.646 1.00 0.00 C ATOM 356 SD MET A 24 11.130 9.413 -6.373 1.00 0.00 S ATOM 357 CE MET A 24 12.398 9.902 -7.569 1.00 0.00 C ATOM 0 H MET A 24 11.579 4.896 -6.808 1.00 0.00 H new ATOM 0 HA MET A 24 13.355 6.599 -5.186 1.00 0.00 H new ATOM 0 HB2 MET A 24 10.313 6.318 -5.194 1.00 0.00 H new ATOM 0 HB3 MET A 24 11.232 7.630 -4.484 1.00 0.00 H new ATOM 0 HG2 MET A 24 12.149 7.385 -7.193 1.00 0.00 H new ATOM 0 HG3 MET A 24 10.400 7.290 -7.258 1.00 0.00 H new ATOM 0 HE1 MET A 24 12.501 10.987 -7.567 1.00 0.00 H new ATOM 0 HE2 MET A 24 13.350 9.447 -7.296 1.00 0.00 H new ATOM 0 HE3 MET A 24 12.108 9.567 -8.565 1.00 0.00 H new ATOM 367 N LEU A 25 11.915 3.957 -3.989 1.00 0.00 N ATOM 368 CA LEU A 25 11.816 3.113 -2.766 1.00 0.00 C ATOM 369 C LEU A 25 13.160 2.429 -2.506 1.00 0.00 C ATOM 370 O LEU A 25 13.461 2.031 -1.399 1.00 0.00 O ATOM 371 CB LEU A 25 10.731 2.052 -2.968 1.00 0.00 C ATOM 372 CG LEU A 25 9.354 2.717 -2.935 1.00 0.00 C ATOM 373 CD1 LEU A 25 8.359 1.869 -3.729 1.00 0.00 C ATOM 374 CD2 LEU A 25 8.880 2.834 -1.484 1.00 0.00 C ATOM 0 H LEU A 25 11.605 3.510 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 25 11.558 3.739 -1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.878 1.543 -3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.799 1.294 -2.188 1.00 0.00 H new ATOM 0 HG LEU A 25 9.419 3.711 -3.378 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.378 2.343 -3.706 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.696 1.784 -4.762 1.00 0.00 H new ATOM 0 HD13 LEU A 25 8.293 0.875 -3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 25 7.899 3.308 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.814 1.840 -1.041 1.00 0.00 H new ATOM 0 HD23 LEU A 25 9.589 3.438 -0.917 1.00 0.00 H new ATOM 386 N MET A 26 13.970 2.288 -3.520 1.00 0.00 N ATOM 387 CA MET A 26 15.293 1.628 -3.329 1.00 0.00 C ATOM 388 C MET A 26 16.274 2.620 -2.698 1.00 0.00 C ATOM 389 O MET A 26 17.278 2.239 -2.130 1.00 0.00 O ATOM 390 CB MET A 26 15.831 1.165 -4.686 1.00 0.00 C ATOM 391 CG MET A 26 16.308 2.375 -5.491 1.00 0.00 C ATOM 392 SD MET A 26 18.100 2.551 -5.311 1.00 0.00 S ATOM 393 CE MET A 26 18.518 2.419 -7.067 1.00 0.00 C ATOM 0 H MET A 26 13.773 2.601 -4.471 1.00 0.00 H new ATOM 0 HA MET A 26 15.179 0.767 -2.671 1.00 0.00 H new ATOM 0 HB2 MET A 26 16.654 0.464 -4.542 1.00 0.00 H new ATOM 0 HB3 MET A 26 15.053 0.635 -5.235 1.00 0.00 H new ATOM 0 HG2 MET A 26 16.048 2.251 -6.542 1.00 0.00 H new ATOM 0 HG3 MET A 26 15.806 3.278 -5.143 1.00 0.00 H new ATOM 0 HE1 MET A 26 19.598 2.503 -7.191 1.00 0.00 H new ATOM 0 HE2 MET A 26 18.182 1.455 -7.449 1.00 0.00 H new ATOM 0 HE3 MET A 26 18.026 3.220 -7.619 1.00 0.00 H new ATOM 403 N ARG A 27 15.993 3.891 -2.795 1.00 0.00 N ATOM 404 CA ARG A 27 16.912 4.905 -2.202 1.00 0.00 C ATOM 405 C ARG A 27 16.707 4.964 -0.686 1.00 0.00 C ATOM 406 O ARG A 27 17.371 5.707 0.009 1.00 0.00 O ATOM 407 CB ARG A 27 16.617 6.277 -2.812 1.00 0.00 C ATOM 408 CG ARG A 27 16.926 6.245 -4.310 1.00 0.00 C ATOM 409 CD ARG A 27 17.587 7.560 -4.727 1.00 0.00 C ATOM 410 NE ARG A 27 17.000 8.682 -3.942 1.00 0.00 N ATOM 411 CZ ARG A 27 17.599 9.841 -3.913 1.00 0.00 C ATOM 412 NH1 ARG A 27 17.991 10.400 -5.025 1.00 0.00 N ATOM 413 NH2 ARG A 27 17.804 10.442 -2.773 1.00 0.00 N ATOM 0 H ARG A 27 15.168 4.271 -3.259 1.00 0.00 H new ATOM 0 HA ARG A 27 17.944 4.626 -2.414 1.00 0.00 H new ATOM 0 HB2 ARG A 27 15.572 6.542 -2.651 1.00 0.00 H new ATOM 0 HB3 ARG A 27 17.219 7.042 -2.322 1.00 0.00 H new ATOM 0 HG2 ARG A 27 17.585 5.407 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 27 16.008 6.092 -4.878 1.00 0.00 H new ATOM 0 HD2 ARG A 27 18.663 7.508 -4.559 1.00 0.00 H new ATOM 0 HD3 ARG A 27 17.439 7.732 -5.793 1.00 0.00 H new ATOM 0 HE ARG A 27 16.130 8.544 -3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 27 17.829 9.931 -5.916 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.459 11.306 -5.003 1.00 0.00 H new ATOM 0 HH21 ARG A 27 17.496 10.006 -1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 27 18.272 11.348 -2.751 1.00 0.00 H new ATOM 427 N VAL A 28 15.795 4.189 -0.166 1.00 0.00 N ATOM 428 CA VAL A 28 15.554 4.204 1.305 1.00 0.00 C ATOM 429 C VAL A 28 15.883 2.824 1.888 1.00 0.00 C ATOM 430 O VAL A 28 15.091 1.909 1.799 1.00 0.00 O ATOM 431 CB VAL A 28 14.086 4.548 1.576 1.00 0.00 C ATOM 432 CG1 VAL A 28 13.188 3.761 0.619 1.00 0.00 C ATOM 433 CG2 VAL A 28 13.729 4.187 3.022 1.00 0.00 C ATOM 0 H VAL A 28 15.206 3.546 -0.696 1.00 0.00 H new ATOM 0 HA VAL A 28 16.191 4.953 1.775 1.00 0.00 H new ATOM 0 HB VAL A 28 13.934 5.616 1.421 1.00 0.00 H new ATOM 0 HG11 VAL A 28 12.144 4.008 0.814 1.00 0.00 H new ATOM 0 HG12 VAL A 28 13.436 4.021 -0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.343 2.693 0.770 1.00 0.00 H new ATOM 0 HG21 VAL A 28 12.684 4.433 3.211 1.00 0.00 H new ATOM 0 HG22 VAL A 28 13.885 3.120 3.180 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.364 4.751 3.705 1.00 0.00 H new ATOM 443 N PRO A 29 17.049 2.723 2.470 1.00 0.00 N ATOM 444 CA PRO A 29 17.574 1.486 3.103 1.00 0.00 C ATOM 445 C PRO A 29 16.949 1.295 4.488 1.00 0.00 C ATOM 446 O PRO A 29 16.347 2.196 5.036 1.00 0.00 O ATOM 447 CB PRO A 29 19.082 1.694 3.221 1.00 0.00 C ATOM 448 CG PRO A 29 19.305 3.209 3.205 1.00 0.00 C ATOM 449 CD PRO A 29 18.041 3.830 2.596 1.00 0.00 C ATOM 0 HA PRO A 29 17.336 0.597 2.518 1.00 0.00 H new ATOM 0 HB2 PRO A 29 19.465 1.254 4.141 1.00 0.00 H new ATOM 0 HB3 PRO A 29 19.607 1.214 2.395 1.00 0.00 H new ATOM 0 HG2 PRO A 29 19.475 3.587 4.213 1.00 0.00 H new ATOM 0 HG3 PRO A 29 20.185 3.465 2.616 1.00 0.00 H new ATOM 0 HD2 PRO A 29 17.655 4.627 3.231 1.00 0.00 H new ATOM 0 HD3 PRO A 29 18.255 4.273 1.623 1.00 0.00 H new ATOM 457 N ARG A 30 17.086 0.128 5.057 1.00 0.00 N ATOM 458 CA ARG A 30 16.497 -0.119 6.404 1.00 0.00 C ATOM 459 C ARG A 30 15.013 0.251 6.383 1.00 0.00 C ATOM 460 O ARG A 30 14.634 1.361 6.701 1.00 0.00 O ATOM 461 CB ARG A 30 17.222 0.737 7.444 1.00 0.00 C ATOM 462 CG ARG A 30 16.928 0.195 8.845 1.00 0.00 C ATOM 463 CD ARG A 30 17.959 -0.877 9.205 1.00 0.00 C ATOM 464 NE ARG A 30 17.598 -1.494 10.513 1.00 0.00 N ATOM 465 CZ ARG A 30 18.148 -2.621 10.875 1.00 0.00 C ATOM 466 NH1 ARG A 30 19.308 -2.618 11.474 1.00 0.00 N ATOM 467 NH2 ARG A 30 17.538 -3.750 10.640 1.00 0.00 N ATOM 0 H ARG A 30 17.580 -0.665 4.647 1.00 0.00 H new ATOM 0 HA ARG A 30 16.607 -1.172 6.663 1.00 0.00 H new ATOM 0 HB2 ARG A 30 18.296 0.725 7.256 1.00 0.00 H new ATOM 0 HB3 ARG A 30 16.896 1.774 7.368 1.00 0.00 H new ATOM 0 HG2 ARG A 30 16.960 1.005 9.574 1.00 0.00 H new ATOM 0 HG3 ARG A 30 15.923 -0.226 8.880 1.00 0.00 H new ATOM 0 HD2 ARG A 30 17.992 -1.640 8.428 1.00 0.00 H new ATOM 0 HD3 ARG A 30 18.954 -0.436 9.261 1.00 0.00 H new ATOM 0 HE ARG A 30 16.922 -1.036 11.124 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.784 -1.735 11.659 1.00 0.00 H new ATOM 0 HH12 ARG A 30 19.738 -3.499 11.757 1.00 0.00 H new ATOM 0 HH21 ARG A 30 16.631 -3.752 10.173 1.00 0.00 H new ATOM 0 HH22 ARG A 30 17.968 -4.631 10.923 1.00 0.00 H new ATOM 481 N ASP A 31 14.167 -0.670 6.007 1.00 0.00 N ATOM 482 CA ASP A 31 12.709 -0.367 5.963 1.00 0.00 C ATOM 483 C ASP A 31 12.436 0.642 4.847 1.00 0.00 C ATOM 484 O ASP A 31 13.238 1.516 4.578 1.00 0.00 O ATOM 485 CB ASP A 31 12.271 0.223 7.304 1.00 0.00 C ATOM 486 CG ASP A 31 13.012 -0.485 8.439 1.00 0.00 C ATOM 487 OD1 ASP A 31 13.157 -1.694 8.362 1.00 0.00 O ATOM 488 OD2 ASP A 31 13.423 0.192 9.366 1.00 0.00 O ATOM 0 H ASP A 31 14.423 -1.617 5.729 1.00 0.00 H new ATOM 0 HA ASP A 31 12.150 -1.283 5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 31 12.482 1.292 7.329 1.00 0.00 H new ATOM 0 HB3 ASP A 31 11.195 0.107 7.430 1.00 0.00 H new ATOM 493 N GLY A 32 11.312 0.532 4.192 1.00 0.00 N ATOM 494 CA GLY A 32 10.995 1.487 3.095 1.00 0.00 C ATOM 495 C GLY A 32 9.782 2.329 3.490 1.00 0.00 C ATOM 496 O GLY A 32 9.877 3.236 4.292 1.00 0.00 O ATOM 0 H GLY A 32 10.601 -0.177 4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.852 2.132 2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 32 10.790 0.944 2.173 1.00 0.00 H new ATOM 500 N ALA A 33 8.640 2.034 2.933 1.00 0.00 N ATOM 501 CA ALA A 33 7.420 2.820 3.279 1.00 0.00 C ATOM 502 C ALA A 33 6.202 2.222 2.573 1.00 0.00 C ATOM 503 O ALA A 33 6.328 1.368 1.718 1.00 0.00 O ATOM 504 CB ALA A 33 7.605 4.273 2.836 1.00 0.00 C ATOM 0 H ALA A 33 8.498 1.285 2.255 1.00 0.00 H new ATOM 0 HA ALA A 33 7.264 2.785 4.357 1.00 0.00 H new ATOM 0 HB1 ALA A 33 6.713 4.847 3.089 1.00 0.00 H new ATOM 0 HB2 ALA A 33 8.469 4.701 3.345 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.765 4.307 1.758 1.00 0.00 H new ATOM 510 N PHE A 34 5.020 2.660 2.919 1.00 0.00 N ATOM 511 CA PHE A 34 3.805 2.105 2.256 1.00 0.00 C ATOM 512 C PHE A 34 3.129 3.181 1.401 1.00 0.00 C ATOM 513 O PHE A 34 2.934 4.301 1.828 1.00 0.00 O ATOM 514 CB PHE A 34 2.825 1.588 3.315 1.00 0.00 C ATOM 515 CG PHE A 34 2.238 2.745 4.086 1.00 0.00 C ATOM 516 CD1 PHE A 34 1.129 3.435 3.579 1.00 0.00 C ATOM 517 CD2 PHE A 34 2.797 3.124 5.311 1.00 0.00 C ATOM 518 CE1 PHE A 34 0.581 4.503 4.299 1.00 0.00 C ATOM 519 CE2 PHE A 34 2.250 4.193 6.029 1.00 0.00 C ATOM 520 CZ PHE A 34 1.141 4.882 5.524 1.00 0.00 C ATOM 0 H PHE A 34 4.845 3.373 3.627 1.00 0.00 H new ATOM 0 HA PHE A 34 4.103 1.279 1.610 1.00 0.00 H new ATOM 0 HB2 PHE A 34 2.028 1.018 2.837 1.00 0.00 H new ATOM 0 HB3 PHE A 34 3.338 0.910 3.996 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.697 3.143 2.633 1.00 0.00 H new ATOM 0 HD2 PHE A 34 3.651 2.591 5.703 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.274 5.035 3.909 1.00 0.00 H new ATOM 0 HE2 PHE A 34 2.684 4.487 6.973 1.00 0.00 H new ATOM 0 HZ PHE A 34 0.718 5.706 6.080 1.00 0.00 H new ATOM 530 N LEU A 35 2.771 2.840 0.190 1.00 0.00 N ATOM 531 CA LEU A 35 2.104 3.827 -0.710 1.00 0.00 C ATOM 532 C LEU A 35 1.091 3.095 -1.598 1.00 0.00 C ATOM 533 O LEU A 35 0.868 1.910 -1.453 1.00 0.00 O ATOM 534 CB LEU A 35 3.154 4.507 -1.594 1.00 0.00 C ATOM 535 CG LEU A 35 4.172 5.235 -0.715 1.00 0.00 C ATOM 536 CD1 LEU A 35 5.330 4.293 -0.386 1.00 0.00 C ATOM 537 CD2 LEU A 35 4.707 6.457 -1.464 1.00 0.00 C ATOM 0 H LEU A 35 2.913 1.915 -0.216 1.00 0.00 H new ATOM 0 HA LEU A 35 1.593 4.580 -0.110 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.658 3.765 -2.213 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.672 5.213 -2.271 1.00 0.00 H new ATOM 0 HG LEU A 35 3.691 5.555 0.210 1.00 0.00 H new ATOM 0 HD11 LEU A 35 6.055 4.813 0.240 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.950 3.421 0.146 1.00 0.00 H new ATOM 0 HD13 LEU A 35 5.812 3.973 -1.310 1.00 0.00 H new ATOM 0 HD21 LEU A 35 5.433 6.978 -0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 35 5.188 6.136 -2.388 1.00 0.00 H new ATOM 0 HD23 LEU A 35 3.882 7.130 -1.699 1.00 0.00 H new ATOM 549 N VAL A 36 0.476 3.791 -2.517 1.00 0.00 N ATOM 550 CA VAL A 36 -0.522 3.130 -3.412 1.00 0.00 C ATOM 551 C VAL A 36 -0.465 3.792 -4.796 1.00 0.00 C ATOM 552 O VAL A 36 0.182 4.802 -4.984 1.00 0.00 O ATOM 553 CB VAL A 36 -1.935 3.244 -2.787 1.00 0.00 C ATOM 554 CG1 VAL A 36 -1.953 4.351 -1.734 1.00 0.00 C ATOM 555 CG2 VAL A 36 -2.995 3.553 -3.857 1.00 0.00 C ATOM 0 H VAL A 36 0.620 4.786 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.290 2.071 -3.525 1.00 0.00 H new ATOM 0 HB VAL A 36 -2.172 2.285 -2.325 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.950 4.424 -1.300 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.232 4.119 -0.950 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.690 5.301 -2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.976 3.627 -3.387 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.755 4.497 -4.345 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -3.007 2.754 -4.598 1.00 0.00 H new ATOM 565 N ARG A 37 -1.133 3.224 -5.767 1.00 0.00 N ATOM 566 CA ARG A 37 -1.111 3.815 -7.132 1.00 0.00 C ATOM 567 C ARG A 37 -2.230 3.197 -7.973 1.00 0.00 C ATOM 568 O ARG A 37 -2.858 2.230 -7.577 1.00 0.00 O ATOM 569 CB ARG A 37 0.239 3.524 -7.790 1.00 0.00 C ATOM 570 CG ARG A 37 0.323 2.038 -8.143 1.00 0.00 C ATOM 571 CD ARG A 37 1.749 1.536 -7.916 1.00 0.00 C ATOM 572 NE ARG A 37 2.467 1.480 -9.221 1.00 0.00 N ATOM 573 CZ ARG A 37 3.767 1.361 -9.248 1.00 0.00 C ATOM 574 NH1 ARG A 37 4.497 1.971 -8.356 1.00 0.00 N ATOM 575 NH2 ARG A 37 4.334 0.634 -10.171 1.00 0.00 N ATOM 0 H ARG A 37 -1.692 2.376 -5.670 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.259 4.893 -7.064 1.00 0.00 H new ATOM 0 HB2 ARG A 37 0.356 4.130 -8.689 1.00 0.00 H new ATOM 0 HB3 ARG A 37 1.051 3.795 -7.115 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.376 1.468 -7.530 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.034 1.884 -9.183 1.00 0.00 H new ATOM 0 HD2 ARG A 37 2.274 2.198 -7.227 1.00 0.00 H new ATOM 0 HD3 ARG A 37 1.730 0.548 -7.456 1.00 0.00 H new ATOM 0 HE ARG A 37 1.942 1.535 -10.094 1.00 0.00 H new ATOM 0 HH11 ARG A 37 4.052 2.541 -7.637 1.00 0.00 H new ATOM 0 HH12 ARG A 37 5.512 1.878 -8.378 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.762 0.160 -10.870 1.00 0.00 H new ATOM 0 HH22 ARG A 37 5.349 0.540 -10.194 1.00 0.00 H new ATOM 589 N LYS A 38 -2.484 3.744 -9.130 1.00 0.00 N ATOM 590 CA LYS A 38 -3.559 3.191 -10.000 1.00 0.00 C ATOM 591 C LYS A 38 -2.953 2.201 -10.997 1.00 0.00 C ATOM 592 O LYS A 38 -1.774 2.241 -11.289 1.00 0.00 O ATOM 593 CB LYS A 38 -4.233 4.334 -10.763 1.00 0.00 C ATOM 594 CG LYS A 38 -5.707 3.995 -10.993 1.00 0.00 C ATOM 595 CD LYS A 38 -6.573 4.808 -10.029 1.00 0.00 C ATOM 596 CE LYS A 38 -6.377 4.286 -8.604 1.00 0.00 C ATOM 597 NZ LYS A 38 -7.146 5.137 -7.653 1.00 0.00 N ATOM 0 H LYS A 38 -1.992 4.552 -9.511 1.00 0.00 H new ATOM 0 HA LYS A 38 -4.297 2.678 -9.383 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.146 5.263 -10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.732 4.493 -11.718 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.986 4.216 -12.023 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -5.875 2.929 -10.839 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -6.303 5.863 -10.082 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.622 4.733 -10.314 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.712 3.251 -8.535 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.319 4.296 -8.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.490 5.592 -6.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.664 5.867 -8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.821 4.546 -7.126 1.00 0.00 H new ATOM 611 N ARG A 39 -3.750 1.313 -11.524 1.00 0.00 N ATOM 612 CA ARG A 39 -3.222 0.321 -12.503 1.00 0.00 C ATOM 613 C ARG A 39 -3.594 0.760 -13.919 1.00 0.00 C ATOM 614 O ARG A 39 -3.795 1.928 -14.186 1.00 0.00 O ATOM 615 CB ARG A 39 -3.834 -1.053 -12.221 1.00 0.00 C ATOM 616 CG ARG A 39 -3.785 -1.336 -10.719 1.00 0.00 C ATOM 617 CD ARG A 39 -2.421 -1.926 -10.354 1.00 0.00 C ATOM 618 NE ARG A 39 -2.156 -3.134 -11.187 1.00 0.00 N ATOM 619 CZ ARG A 39 -3.130 -3.947 -11.493 1.00 0.00 C ATOM 620 NH1 ARG A 39 -3.772 -4.580 -10.549 1.00 0.00 N ATOM 621 NH2 ARG A 39 -3.460 -4.130 -12.742 1.00 0.00 N ATOM 0 H ARG A 39 -4.746 1.231 -11.319 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.138 0.261 -12.410 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.865 -1.083 -12.574 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -3.289 -1.824 -12.765 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -3.957 -0.417 -10.159 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -4.579 -2.030 -10.443 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.639 -1.184 -10.513 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.399 -2.190 -9.297 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.211 -3.326 -11.519 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.512 -4.439 -9.573 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.533 -5.215 -10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.957 -3.638 -13.480 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -4.221 -4.766 -12.980 1.00 0.00 H new ATOM 635 N ASN A 40 -3.688 -0.169 -14.830 1.00 0.00 N ATOM 636 CA ASN A 40 -4.051 0.193 -16.230 1.00 0.00 C ATOM 637 C ASN A 40 -5.574 0.181 -16.378 1.00 0.00 C ATOM 638 O ASN A 40 -6.106 -0.209 -17.399 1.00 0.00 O ATOM 639 CB ASN A 40 -3.437 -0.822 -17.196 1.00 0.00 C ATOM 640 CG ASN A 40 -1.968 -0.470 -17.442 1.00 0.00 C ATOM 641 OD1 ASN A 40 -1.135 -0.648 -16.575 1.00 0.00 O ATOM 642 ND2 ASN A 40 -1.613 0.028 -18.595 1.00 0.00 N ATOM 0 H ASN A 40 -3.529 -1.163 -14.666 1.00 0.00 H new ATOM 0 HA ASN A 40 -3.670 1.188 -16.460 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -3.517 -1.827 -16.783 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -3.985 -0.821 -18.138 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -0.637 0.268 -18.768 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -2.312 0.178 -19.323 1.00 0.00 H new ATOM 649 N GLU A 41 -6.281 0.605 -15.366 1.00 0.00 N ATOM 650 CA GLU A 41 -7.769 0.618 -15.446 1.00 0.00 C ATOM 651 C GLU A 41 -8.344 1.042 -14.092 1.00 0.00 C ATOM 652 O GLU A 41 -7.714 0.868 -13.068 1.00 0.00 O ATOM 653 CB GLU A 41 -8.274 -0.782 -15.801 1.00 0.00 C ATOM 654 CG GLU A 41 -7.419 -1.830 -15.084 1.00 0.00 C ATOM 655 CD GLU A 41 -6.600 -2.610 -16.113 1.00 0.00 C ATOM 656 OE1 GLU A 41 -7.203 -3.236 -16.970 1.00 0.00 O ATOM 657 OE2 GLU A 41 -5.383 -2.570 -16.026 1.00 0.00 O ATOM 0 H GLU A 41 -5.891 0.943 -14.486 1.00 0.00 H new ATOM 0 HA GLU A 41 -8.088 1.322 -16.215 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.319 -0.888 -15.509 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -8.227 -0.935 -16.879 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.756 -1.345 -14.367 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -8.056 -2.510 -14.519 1.00 0.00 H new ATOM 664 N PRO A 42 -9.527 1.588 -14.137 1.00 0.00 N ATOM 665 CA PRO A 42 -10.281 2.076 -12.953 1.00 0.00 C ATOM 666 C PRO A 42 -10.944 0.905 -12.224 1.00 0.00 C ATOM 667 O PRO A 42 -11.729 1.091 -11.317 1.00 0.00 O ATOM 668 CB PRO A 42 -11.341 3.027 -13.506 1.00 0.00 C ATOM 669 CG PRO A 42 -11.553 2.620 -14.968 1.00 0.00 C ATOM 670 CD PRO A 42 -10.317 1.810 -15.382 1.00 0.00 C ATOM 0 HA PRO A 42 -9.628 2.572 -12.234 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -12.269 2.948 -12.940 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -11.011 4.063 -13.433 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -12.460 2.025 -15.077 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -11.670 3.499 -15.602 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -10.607 0.861 -15.833 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -9.729 2.349 -16.125 1.00 0.00 H new ATOM 678 N ASN A 43 -10.635 -0.303 -12.614 1.00 0.00 N ATOM 679 CA ASN A 43 -11.250 -1.481 -11.942 1.00 0.00 C ATOM 680 C ASN A 43 -10.165 -2.294 -11.235 1.00 0.00 C ATOM 681 O ASN A 43 -10.111 -3.503 -11.353 1.00 0.00 O ATOM 682 CB ASN A 43 -11.945 -2.359 -12.986 1.00 0.00 C ATOM 683 CG ASN A 43 -12.537 -1.474 -14.085 1.00 0.00 C ATOM 684 OD1 ASN A 43 -12.970 -0.369 -13.823 1.00 0.00 O ATOM 685 ND2 ASN A 43 -12.574 -1.916 -15.312 1.00 0.00 N ATOM 0 H ASN A 43 -9.984 -0.523 -13.368 1.00 0.00 H new ATOM 0 HA ASN A 43 -11.980 -1.138 -11.209 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -11.233 -3.064 -13.416 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -12.732 -2.948 -12.515 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -12.966 -1.334 -16.052 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -12.210 -2.843 -15.531 1.00 0.00 H new ATOM 692 N SER A 44 -9.304 -1.640 -10.498 1.00 0.00 N ATOM 693 CA SER A 44 -8.218 -2.369 -9.778 1.00 0.00 C ATOM 694 C SER A 44 -7.166 -1.369 -9.295 1.00 0.00 C ATOM 695 O SER A 44 -6.762 -0.479 -10.017 1.00 0.00 O ATOM 696 CB SER A 44 -7.554 -3.373 -10.723 1.00 0.00 C ATOM 697 OG SER A 44 -7.573 -2.854 -12.046 1.00 0.00 O ATOM 0 H SER A 44 -9.307 -0.629 -10.364 1.00 0.00 H new ATOM 0 HA SER A 44 -8.646 -2.897 -8.926 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.528 -3.562 -10.409 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.080 -4.327 -10.686 1.00 0.00 H new ATOM 0 HG SER A 44 -7.147 -3.493 -12.654 1.00 0.00 H new ATOM 703 N TYR A 45 -6.713 -1.513 -8.080 1.00 0.00 N ATOM 704 CA TYR A 45 -5.681 -0.577 -7.550 1.00 0.00 C ATOM 705 C TYR A 45 -4.459 -1.388 -7.112 1.00 0.00 C ATOM 706 O TYR A 45 -4.432 -2.594 -7.246 1.00 0.00 O ATOM 707 CB TYR A 45 -6.247 0.185 -6.348 1.00 0.00 C ATOM 708 CG TYR A 45 -7.688 0.551 -6.616 1.00 0.00 C ATOM 709 CD1 TYR A 45 -8.674 -0.443 -6.618 1.00 0.00 C ATOM 710 CD2 TYR A 45 -8.038 1.884 -6.864 1.00 0.00 C ATOM 711 CE1 TYR A 45 -10.009 -0.105 -6.866 1.00 0.00 C ATOM 712 CE2 TYR A 45 -9.374 2.222 -7.113 1.00 0.00 C ATOM 713 CZ TYR A 45 -10.360 1.228 -7.114 1.00 0.00 C ATOM 714 OH TYR A 45 -11.675 1.561 -7.360 1.00 0.00 O ATOM 0 H TYR A 45 -7.013 -2.240 -7.430 1.00 0.00 H new ATOM 0 HA TYR A 45 -5.396 0.137 -8.323 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -6.178 -0.428 -5.450 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -5.660 1.085 -6.165 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -8.404 -1.471 -6.428 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -7.278 2.651 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.769 -0.872 -6.866 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.644 3.250 -7.304 1.00 0.00 H new ATOM 0 HH TYR A 45 -11.745 2.527 -7.511 1.00 0.00 H new ATOM 724 N ALA A 46 -3.446 -0.746 -6.594 1.00 0.00 N ATOM 725 CA ALA A 46 -2.243 -1.509 -6.157 1.00 0.00 C ATOM 726 C ALA A 46 -1.553 -0.765 -5.011 1.00 0.00 C ATOM 727 O ALA A 46 -1.749 0.415 -4.821 1.00 0.00 O ATOM 728 CB ALA A 46 -1.280 -1.657 -7.338 1.00 0.00 C ATOM 0 H ALA A 46 -3.400 0.264 -6.456 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.542 -2.498 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.399 -2.215 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -1.777 -2.192 -8.148 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.978 -0.670 -7.687 1.00 0.00 H new ATOM 734 N ILE A 47 -0.748 -1.445 -4.242 1.00 0.00 N ATOM 735 CA ILE A 47 -0.051 -0.769 -3.112 1.00 0.00 C ATOM 736 C ILE A 47 1.459 -0.877 -3.315 1.00 0.00 C ATOM 737 O ILE A 47 2.013 -1.957 -3.327 1.00 0.00 O ATOM 738 CB ILE A 47 -0.435 -1.442 -1.793 1.00 0.00 C ATOM 739 CG1 ILE A 47 -1.960 -1.517 -1.683 1.00 0.00 C ATOM 740 CG2 ILE A 47 0.121 -0.631 -0.623 1.00 0.00 C ATOM 741 CD1 ILE A 47 -2.343 -2.409 -0.499 1.00 0.00 C ATOM 0 H ILE A 47 -0.543 -2.439 -4.347 1.00 0.00 H new ATOM 0 HA ILE A 47 -0.344 0.280 -3.080 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.018 -2.449 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -2.375 -0.518 -1.549 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.383 -1.917 -2.605 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.153 -1.112 0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.207 -0.579 -0.700 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.293 0.377 -0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -3.429 -2.463 -0.420 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.940 -3.410 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.933 -1.990 0.420 1.00 0.00 H new ATOM 753 N SER A 48 2.129 0.230 -3.474 1.00 0.00 N ATOM 754 CA SER A 48 3.604 0.186 -3.673 1.00 0.00 C ATOM 755 C SER A 48 4.300 0.454 -2.338 1.00 0.00 C ATOM 756 O SER A 48 4.283 1.558 -1.832 1.00 0.00 O ATOM 757 CB SER A 48 4.016 1.255 -4.685 1.00 0.00 C ATOM 758 OG SER A 48 3.086 2.329 -4.638 1.00 0.00 O ATOM 0 H SER A 48 1.719 1.164 -3.475 1.00 0.00 H new ATOM 0 HA SER A 48 3.893 -0.796 -4.047 1.00 0.00 H new ATOM 0 HB2 SER A 48 5.019 1.617 -4.461 1.00 0.00 H new ATOM 0 HB3 SER A 48 4.048 0.830 -5.688 1.00 0.00 H new ATOM 0 HG SER A 48 3.348 3.017 -5.285 1.00 0.00 H new ATOM 764 N PHE A 49 4.911 -0.543 -1.762 1.00 0.00 N ATOM 765 CA PHE A 49 5.602 -0.336 -0.459 1.00 0.00 C ATOM 766 C PHE A 49 6.854 -1.202 -0.423 1.00 0.00 C ATOM 767 O PHE A 49 7.086 -1.992 -1.318 1.00 0.00 O ATOM 768 CB PHE A 49 4.668 -0.744 0.683 1.00 0.00 C ATOM 769 CG PHE A 49 4.388 -2.227 0.613 1.00 0.00 C ATOM 770 CD1 PHE A 49 5.390 -3.147 0.945 1.00 0.00 C ATOM 771 CD2 PHE A 49 3.123 -2.680 0.221 1.00 0.00 C ATOM 772 CE1 PHE A 49 5.127 -4.521 0.882 1.00 0.00 C ATOM 773 CE2 PHE A 49 2.860 -4.054 0.160 1.00 0.00 C ATOM 774 CZ PHE A 49 3.862 -4.974 0.490 1.00 0.00 C ATOM 0 H PHE A 49 4.962 -1.491 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 49 5.873 0.714 -0.346 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.122 -0.496 1.642 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.734 -0.185 0.618 1.00 0.00 H new ATOM 0 HD1 PHE A 49 6.365 -2.797 1.250 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.350 -1.970 -0.034 1.00 0.00 H new ATOM 0 HE1 PHE A 49 5.900 -5.231 1.136 1.00 0.00 H new ATOM 0 HE2 PHE A 49 1.884 -4.404 -0.142 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.659 -6.034 0.442 1.00 0.00 H new ATOM 784 N ARG A 50 7.662 -1.090 0.598 1.00 0.00 N ATOM 785 CA ARG A 50 8.867 -1.953 0.636 1.00 0.00 C ATOM 786 C ARG A 50 9.657 -1.799 1.926 1.00 0.00 C ATOM 787 O ARG A 50 9.547 -0.826 2.649 1.00 0.00 O ATOM 788 CB ARG A 50 9.794 -1.623 -0.533 1.00 0.00 C ATOM 789 CG ARG A 50 10.927 -2.653 -0.576 1.00 0.00 C ATOM 790 CD ARG A 50 10.319 -4.061 -0.704 1.00 0.00 C ATOM 791 NE ARG A 50 11.111 -5.049 0.079 1.00 0.00 N ATOM 792 CZ ARG A 50 10.558 -6.167 0.464 1.00 0.00 C ATOM 793 NH1 ARG A 50 9.346 -6.158 0.946 1.00 0.00 N ATOM 794 NH2 ARG A 50 11.220 -7.288 0.382 1.00 0.00 N ATOM 0 H ARG A 50 7.541 -0.454 1.386 1.00 0.00 H new ATOM 0 HA ARG A 50 8.509 -2.980 0.570 1.00 0.00 H new ATOM 0 HB2 ARG A 50 9.238 -1.636 -1.470 1.00 0.00 H new ATOM 0 HB3 ARG A 50 10.202 -0.619 -0.418 1.00 0.00 H new ATOM 0 HG2 ARG A 50 11.588 -2.450 -1.418 1.00 0.00 H new ATOM 0 HG3 ARG A 50 11.532 -2.585 0.328 1.00 0.00 H new ATOM 0 HD2 ARG A 50 9.288 -4.051 -0.350 1.00 0.00 H new ATOM 0 HD3 ARG A 50 10.293 -4.357 -1.753 1.00 0.00 H new ATOM 0 HE ARG A 50 12.084 -4.853 0.314 1.00 0.00 H new ATOM 0 HH11 ARG A 50 8.834 -5.279 1.021 1.00 0.00 H new ATOM 0 HH12 ARG A 50 8.911 -7.030 1.248 1.00 0.00 H new ATOM 0 HH21 ARG A 50 12.172 -7.292 0.016 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.785 -8.160 0.684 1.00 0.00 H new ATOM 808 N ALA A 51 10.485 -2.774 2.174 1.00 0.00 N ATOM 809 CA ALA A 51 11.362 -2.775 3.363 1.00 0.00 C ATOM 810 C ALA A 51 12.766 -3.183 2.903 1.00 0.00 C ATOM 811 O ALA A 51 12.961 -3.577 1.765 1.00 0.00 O ATOM 812 CB ALA A 51 10.835 -3.785 4.382 1.00 0.00 C ATOM 0 H ALA A 51 10.588 -3.595 1.577 1.00 0.00 H new ATOM 0 HA ALA A 51 11.386 -1.790 3.829 1.00 0.00 H new ATOM 0 HB1 ALA A 51 11.481 -3.787 5.260 1.00 0.00 H new ATOM 0 HB2 ALA A 51 9.823 -3.510 4.677 1.00 0.00 H new ATOM 0 HB3 ALA A 51 10.825 -4.780 3.937 1.00 0.00 H new ATOM 818 N GLU A 52 13.742 -3.095 3.761 1.00 0.00 N ATOM 819 CA GLU A 52 15.123 -3.480 3.353 1.00 0.00 C ATOM 820 C GLU A 52 15.486 -2.772 2.044 1.00 0.00 C ATOM 821 O GLU A 52 15.919 -1.637 2.041 1.00 0.00 O ATOM 822 CB GLU A 52 15.192 -4.997 3.156 1.00 0.00 C ATOM 823 CG GLU A 52 15.222 -5.690 4.520 1.00 0.00 C ATOM 824 CD GLU A 52 14.800 -7.151 4.359 1.00 0.00 C ATOM 825 OE1 GLU A 52 13.611 -7.415 4.432 1.00 0.00 O ATOM 826 OE2 GLU A 52 15.672 -7.982 4.163 1.00 0.00 O ATOM 0 H GLU A 52 13.645 -2.774 4.724 1.00 0.00 H new ATOM 0 HA GLU A 52 15.828 -3.184 4.130 1.00 0.00 H new ATOM 0 HB2 GLU A 52 14.331 -5.339 2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 52 16.082 -5.260 2.584 1.00 0.00 H new ATOM 0 HG2 GLU A 52 16.224 -5.635 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 52 14.552 -5.181 5.213 1.00 0.00 H new ATOM 833 N GLY A 53 15.305 -3.428 0.931 1.00 0.00 N ATOM 834 CA GLY A 53 15.629 -2.794 -0.375 1.00 0.00 C ATOM 835 C GLY A 53 15.161 -3.711 -1.504 1.00 0.00 C ATOM 836 O GLY A 53 15.761 -3.766 -2.559 1.00 0.00 O ATOM 0 H GLY A 53 14.945 -4.380 0.871 1.00 0.00 H new ATOM 0 HA2 GLY A 53 15.141 -1.822 -0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 53 16.702 -2.619 -0.453 1.00 0.00 H new ATOM 840 N LYS A 54 14.098 -4.439 -1.289 1.00 0.00 N ATOM 841 CA LYS A 54 13.604 -5.365 -2.363 1.00 0.00 C ATOM 842 C LYS A 54 12.223 -4.912 -2.858 1.00 0.00 C ATOM 843 O LYS A 54 11.323 -5.713 -3.007 1.00 0.00 O ATOM 844 CB LYS A 54 13.511 -6.787 -1.806 1.00 0.00 C ATOM 845 CG LYS A 54 14.330 -7.734 -2.684 1.00 0.00 C ATOM 846 CD LYS A 54 14.625 -9.021 -1.911 1.00 0.00 C ATOM 847 CE LYS A 54 13.817 -10.172 -2.513 1.00 0.00 C ATOM 848 NZ LYS A 54 14.374 -11.471 -2.040 1.00 0.00 N ATOM 0 H LYS A 54 13.552 -4.437 -0.428 1.00 0.00 H new ATOM 0 HA LYS A 54 14.302 -5.345 -3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 54 13.882 -6.812 -0.781 1.00 0.00 H new ATOM 0 HB3 LYS A 54 12.470 -7.110 -1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 54 13.783 -7.964 -3.598 1.00 0.00 H new ATOM 0 HG3 LYS A 54 15.262 -7.255 -2.983 1.00 0.00 H new ATOM 0 HD2 LYS A 54 15.690 -9.248 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 54 14.369 -8.893 -0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.770 -10.086 -2.223 1.00 0.00 H new ATOM 0 HE3 LYS A 54 13.851 -10.124 -3.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.825 -12.254 -2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 15.367 -11.552 -2.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 14.319 -11.515 -1.002 1.00 0.00 H new ATOM 862 N ILE A 55 12.084 -3.622 -3.089 1.00 0.00 N ATOM 863 CA ILE A 55 10.792 -2.981 -3.561 1.00 0.00 C ATOM 864 C ILE A 55 9.752 -3.989 -4.069 1.00 0.00 C ATOM 865 O ILE A 55 10.016 -4.810 -4.927 1.00 0.00 O ATOM 866 CB ILE A 55 11.104 -1.969 -4.671 1.00 0.00 C ATOM 867 CG1 ILE A 55 11.709 -0.699 -4.059 1.00 0.00 C ATOM 868 CG2 ILE A 55 9.809 -1.587 -5.386 1.00 0.00 C ATOM 869 CD1 ILE A 55 13.172 -0.939 -3.693 1.00 0.00 C ATOM 0 H ILE A 55 12.845 -2.954 -2.965 1.00 0.00 H new ATOM 0 HA ILE A 55 10.352 -2.491 -2.693 1.00 0.00 H new ATOM 0 HB ILE A 55 11.808 -2.417 -5.372 1.00 0.00 H new ATOM 0 HG12 ILE A 55 11.634 0.127 -4.767 1.00 0.00 H new ATOM 0 HG13 ILE A 55 11.147 -0.410 -3.171 1.00 0.00 H new ATOM 0 HG21 ILE A 55 10.028 -0.868 -6.175 1.00 0.00 H new ATOM 0 HG22 ILE A 55 9.358 -2.478 -5.822 1.00 0.00 H new ATOM 0 HG23 ILE A 55 9.117 -1.142 -4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 55 13.592 -0.031 -3.259 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.237 -1.751 -2.969 1.00 0.00 H new ATOM 0 HD13 ILE A 55 13.732 -1.206 -4.589 1.00 0.00 H new ATOM 881 N LYS A 56 8.548 -3.892 -3.554 1.00 0.00 N ATOM 882 CA LYS A 56 7.456 -4.800 -4.000 1.00 0.00 C ATOM 883 C LYS A 56 6.100 -4.103 -3.800 1.00 0.00 C ATOM 884 O LYS A 56 5.799 -3.591 -2.738 1.00 0.00 O ATOM 885 CB LYS A 56 7.494 -6.100 -3.191 1.00 0.00 C ATOM 886 CG LYS A 56 7.969 -5.818 -1.762 1.00 0.00 C ATOM 887 CD LYS A 56 7.129 -6.637 -0.777 1.00 0.00 C ATOM 888 CE LYS A 56 7.642 -8.081 -0.730 1.00 0.00 C ATOM 889 NZ LYS A 56 7.909 -8.568 -2.112 1.00 0.00 N ATOM 0 H LYS A 56 8.279 -3.216 -2.839 1.00 0.00 H new ATOM 0 HA LYS A 56 7.592 -5.036 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.503 -6.553 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 56 8.162 -6.816 -3.670 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.023 -6.075 -1.660 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.877 -4.755 -1.539 1.00 0.00 H new ATOM 0 HD2 LYS A 56 7.180 -6.191 0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.082 -6.623 -1.079 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.553 -8.133 -0.134 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.906 -8.722 -0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.941 -9.608 -2.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 7.152 -8.244 -2.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.821 -8.193 -2.442 1.00 0.00 H new ATOM 903 N HIS A 57 5.279 -4.072 -4.815 1.00 0.00 N ATOM 904 CA HIS A 57 3.950 -3.405 -4.676 1.00 0.00 C ATOM 905 C HIS A 57 2.885 -4.459 -4.377 1.00 0.00 C ATOM 906 O HIS A 57 3.181 -5.517 -3.874 1.00 0.00 O ATOM 907 CB HIS A 57 3.594 -2.682 -5.977 1.00 0.00 C ATOM 908 CG HIS A 57 4.848 -2.192 -6.647 1.00 0.00 C ATOM 909 ND1 HIS A 57 4.970 -2.132 -8.026 1.00 0.00 N ATOM 910 CD2 HIS A 57 6.040 -1.737 -6.144 1.00 0.00 C ATOM 911 CE1 HIS A 57 6.197 -1.656 -8.303 1.00 0.00 C ATOM 912 NE2 HIS A 57 6.891 -1.400 -7.191 1.00 0.00 N ATOM 0 H HIS A 57 5.469 -4.478 -5.731 1.00 0.00 H new ATOM 0 HA HIS A 57 3.993 -2.682 -3.862 1.00 0.00 H new ATOM 0 HB2 HIS A 57 3.055 -3.356 -6.643 1.00 0.00 H new ATOM 0 HB3 HIS A 57 2.931 -1.843 -5.768 1.00 0.00 H new ATOM 0 HD1 HIS A 57 4.259 -2.400 -8.707 1.00 0.00 H new ATOM 0 HD2 HIS A 57 6.281 -1.653 -5.095 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.575 -1.500 -9.303 1.00 0.00 H new ATOM 920 N CYS A 58 1.648 -4.183 -4.694 1.00 0.00 N ATOM 921 CA CYS A 58 0.568 -5.185 -4.444 1.00 0.00 C ATOM 922 C CYS A 58 -0.610 -4.885 -5.380 1.00 0.00 C ATOM 923 O CYS A 58 -0.650 -3.854 -6.013 1.00 0.00 O ATOM 924 CB CYS A 58 0.154 -5.144 -2.955 1.00 0.00 C ATOM 925 SG CYS A 58 -1.415 -4.258 -2.713 1.00 0.00 S ATOM 0 H CYS A 58 1.338 -3.307 -5.115 1.00 0.00 H new ATOM 0 HA CYS A 58 0.922 -6.194 -4.654 1.00 0.00 H new ATOM 0 HB2 CYS A 58 0.059 -6.162 -2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 58 0.938 -4.660 -2.373 1.00 0.00 H new ATOM 0 HG CYS A 58 -2.192 -4.955 -1.938 1.00 0.00 H new ATOM 931 N ARG A 59 -1.560 -5.772 -5.491 1.00 0.00 N ATOM 932 CA ARG A 59 -2.704 -5.500 -6.410 1.00 0.00 C ATOM 933 C ARG A 59 -4.040 -5.732 -5.697 1.00 0.00 C ATOM 934 O ARG A 59 -4.483 -6.853 -5.543 1.00 0.00 O ATOM 935 CB ARG A 59 -2.619 -6.427 -7.619 1.00 0.00 C ATOM 936 CG ARG A 59 -1.643 -5.851 -8.639 1.00 0.00 C ATOM 937 CD ARG A 59 -0.352 -6.667 -8.619 1.00 0.00 C ATOM 938 NE ARG A 59 -0.535 -7.918 -9.412 1.00 0.00 N ATOM 939 CZ ARG A 59 -1.678 -8.548 -9.388 1.00 0.00 C ATOM 940 NH1 ARG A 59 -2.646 -8.174 -10.180 1.00 0.00 N ATOM 941 NH2 ARG A 59 -1.853 -9.552 -8.573 1.00 0.00 N ATOM 0 H ARG A 59 -1.596 -6.662 -4.993 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.649 -4.459 -6.729 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.291 -7.419 -7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.604 -6.544 -8.070 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -2.085 -5.873 -9.635 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -1.431 -4.807 -8.407 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.467 -6.079 -9.033 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -0.081 -6.912 -7.592 1.00 0.00 H new ATOM 0 HE ARG A 59 0.235 -8.281 -9.974 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -2.509 -7.390 -10.817 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -3.539 -8.666 -10.161 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -1.097 -9.845 -7.954 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -2.746 -10.044 -8.554 1.00 0.00 H new ATOM 955 N VAL A 60 -4.694 -4.683 -5.280 1.00 0.00 N ATOM 956 CA VAL A 60 -6.012 -4.847 -4.602 1.00 0.00 C ATOM 957 C VAL A 60 -7.095 -5.037 -5.668 1.00 0.00 C ATOM 958 O VAL A 60 -7.058 -4.420 -6.715 1.00 0.00 O ATOM 959 CB VAL A 60 -6.322 -3.597 -3.775 1.00 0.00 C ATOM 960 CG1 VAL A 60 -7.720 -3.722 -3.166 1.00 0.00 C ATOM 961 CG2 VAL A 60 -5.289 -3.457 -2.655 1.00 0.00 C ATOM 0 H VAL A 60 -4.373 -3.720 -5.379 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.984 -5.714 -3.942 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.283 -2.718 -4.418 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -7.941 -2.832 -2.577 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -8.457 -3.822 -3.963 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -7.760 -4.602 -2.523 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.509 -2.567 -2.066 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.328 -4.336 -2.012 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.293 -3.368 -3.088 1.00 0.00 H new ATOM 971 N GLN A 61 -8.055 -5.889 -5.422 1.00 0.00 N ATOM 972 CA GLN A 61 -9.123 -6.112 -6.439 1.00 0.00 C ATOM 973 C GLN A 61 -10.419 -5.429 -5.999 1.00 0.00 C ATOM 974 O GLN A 61 -10.529 -4.934 -4.896 1.00 0.00 O ATOM 975 CB GLN A 61 -9.370 -7.614 -6.597 1.00 0.00 C ATOM 976 CG GLN A 61 -8.053 -8.316 -6.933 1.00 0.00 C ATOM 977 CD GLN A 61 -7.640 -7.968 -8.363 1.00 0.00 C ATOM 978 OE1 GLN A 61 -7.001 -6.961 -8.595 1.00 0.00 O ATOM 979 NE2 GLN A 61 -7.981 -8.764 -9.340 1.00 0.00 N ATOM 0 H GLN A 61 -8.145 -6.437 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.802 -5.689 -7.391 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -9.788 -8.023 -5.677 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -10.101 -7.792 -7.386 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -7.276 -8.008 -6.234 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -8.167 -9.395 -6.828 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -8.517 -9.609 -9.145 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -7.711 -8.540 -10.298 1.00 0.00 H new ATOM 988 N GLN A 62 -11.403 -5.400 -6.858 1.00 0.00 N ATOM 989 CA GLN A 62 -12.696 -4.751 -6.496 1.00 0.00 C ATOM 990 C GLN A 62 -13.824 -5.361 -7.333 1.00 0.00 C ATOM 991 O GLN A 62 -13.657 -5.644 -8.503 1.00 0.00 O ATOM 992 CB GLN A 62 -12.606 -3.248 -6.773 1.00 0.00 C ATOM 993 CG GLN A 62 -13.970 -2.596 -6.528 1.00 0.00 C ATOM 994 CD GLN A 62 -14.038 -2.075 -5.092 1.00 0.00 C ATOM 995 OE1 GLN A 62 -14.714 -2.643 -4.258 1.00 0.00 O ATOM 996 NE2 GLN A 62 -13.363 -1.006 -4.766 1.00 0.00 N ATOM 0 H GLN A 62 -11.367 -5.799 -7.796 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.902 -4.913 -5.438 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -11.854 -2.794 -6.128 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -12.289 -3.076 -7.802 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -14.125 -1.777 -7.231 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.767 -3.319 -6.701 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.795 -0.528 -5.466 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -13.404 -0.649 -3.812 1.00 0.00 H new ATOM 1005 N GLU A 63 -14.971 -5.563 -6.743 1.00 0.00 N ATOM 1006 CA GLU A 63 -16.107 -6.153 -7.505 1.00 0.00 C ATOM 1007 C GLU A 63 -17.222 -5.114 -7.642 1.00 0.00 C ATOM 1008 O GLU A 63 -17.039 -3.950 -7.347 1.00 0.00 O ATOM 1009 CB GLU A 63 -16.639 -7.378 -6.758 1.00 0.00 C ATOM 1010 CG GLU A 63 -15.908 -8.629 -7.247 1.00 0.00 C ATOM 1011 CD GLU A 63 -16.533 -9.106 -8.560 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -16.634 -8.302 -9.472 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -16.899 -10.268 -8.631 1.00 0.00 O ATOM 0 H GLU A 63 -15.170 -5.345 -5.767 1.00 0.00 H new ATOM 0 HA GLU A 63 -15.765 -6.452 -8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -16.493 -7.255 -5.685 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -17.711 -7.482 -6.924 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.850 -8.411 -7.394 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -15.970 -9.416 -6.496 1.00 0.00 H new ATOM 1020 N GLY A 64 -18.378 -5.525 -8.089 1.00 0.00 N ATOM 1021 CA GLY A 64 -19.504 -4.560 -8.247 1.00 0.00 C ATOM 1022 C GLY A 64 -20.243 -4.405 -6.916 1.00 0.00 C ATOM 1023 O GLY A 64 -21.213 -3.680 -6.816 1.00 0.00 O ATOM 0 H GLY A 64 -18.591 -6.487 -8.352 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -19.123 -3.593 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -20.191 -4.912 -9.017 1.00 0.00 H new ATOM 1027 N GLN A 65 -19.795 -5.079 -5.893 1.00 0.00 N ATOM 1028 CA GLN A 65 -20.476 -4.967 -4.571 1.00 0.00 C ATOM 1029 C GLN A 65 -19.494 -4.418 -3.535 1.00 0.00 C ATOM 1030 O GLN A 65 -19.652 -3.324 -3.033 1.00 0.00 O ATOM 1031 CB GLN A 65 -20.963 -6.349 -4.130 1.00 0.00 C ATOM 1032 CG GLN A 65 -22.188 -6.747 -4.954 1.00 0.00 C ATOM 1033 CD GLN A 65 -22.293 -8.273 -5.009 1.00 0.00 C ATOM 1034 OE1 GLN A 65 -23.275 -8.842 -4.576 1.00 0.00 O ATOM 1035 NE2 GLN A 65 -21.314 -8.964 -5.526 1.00 0.00 N ATOM 0 H GLN A 65 -18.988 -5.702 -5.914 1.00 0.00 H new ATOM 0 HA GLN A 65 -21.327 -4.292 -4.657 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.169 -7.084 -4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -21.214 -6.336 -3.069 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -23.090 -6.326 -4.511 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -22.109 -6.341 -5.962 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -20.489 -8.487 -5.890 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -21.374 -9.981 -5.566 1.00 0.00 H new ATOM 1044 N THR A 66 -18.481 -5.174 -3.209 1.00 0.00 N ATOM 1045 CA THR A 66 -17.490 -4.702 -2.205 1.00 0.00 C ATOM 1046 C THR A 66 -16.078 -4.899 -2.758 1.00 0.00 C ATOM 1047 O THR A 66 -15.880 -5.567 -3.753 1.00 0.00 O ATOM 1048 CB THR A 66 -17.648 -5.521 -0.925 1.00 0.00 C ATOM 1049 OG1 THR A 66 -18.894 -6.203 -0.951 1.00 0.00 O ATOM 1050 CG2 THR A 66 -17.594 -4.597 0.291 1.00 0.00 C ATOM 0 H THR A 66 -18.298 -6.100 -3.596 1.00 0.00 H new ATOM 0 HA THR A 66 -17.655 -3.646 -1.991 1.00 0.00 H new ATOM 0 HB THR A 66 -16.837 -6.247 -0.859 1.00 0.00 H new ATOM 0 HG1 THR A 66 -18.996 -6.730 -0.131 1.00 0.00 H new ATOM 0 HG21 THR A 66 -17.707 -5.186 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 66 -16.636 -4.078 0.311 1.00 0.00 H new ATOM 0 HG23 THR A 66 -18.401 -3.867 0.229 1.00 0.00 H new ATOM 1058 N VAL A 67 -15.091 -4.335 -2.116 1.00 0.00 N ATOM 1059 CA VAL A 67 -13.697 -4.514 -2.611 1.00 0.00 C ATOM 1060 C VAL A 67 -13.061 -5.693 -1.869 1.00 0.00 C ATOM 1061 O VAL A 67 -13.582 -6.169 -0.878 1.00 0.00 O ATOM 1062 CB VAL A 67 -12.888 -3.218 -2.393 1.00 0.00 C ATOM 1063 CG1 VAL A 67 -12.129 -3.266 -1.066 1.00 0.00 C ATOM 1064 CG2 VAL A 67 -11.881 -3.051 -3.532 1.00 0.00 C ATOM 0 H VAL A 67 -15.188 -3.763 -1.277 1.00 0.00 H new ATOM 0 HA VAL A 67 -13.701 -4.726 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 67 -13.583 -2.378 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -11.566 -2.342 -0.935 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -12.838 -3.379 -0.245 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.441 -4.112 -1.071 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -11.308 -2.136 -3.380 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -11.204 -3.905 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.412 -2.993 -4.482 1.00 0.00 H new ATOM 1074 N MET A 68 -11.937 -6.159 -2.330 1.00 0.00 N ATOM 1075 CA MET A 68 -11.266 -7.298 -1.662 1.00 0.00 C ATOM 1076 C MET A 68 -9.775 -7.016 -1.647 1.00 0.00 C ATOM 1077 O MET A 68 -9.087 -7.185 -2.636 1.00 0.00 O ATOM 1078 CB MET A 68 -11.543 -8.589 -2.435 1.00 0.00 C ATOM 1079 CG MET A 68 -10.848 -9.762 -1.741 1.00 0.00 C ATOM 1080 SD MET A 68 -11.711 -11.301 -2.148 1.00 0.00 S ATOM 1081 CE MET A 68 -10.585 -11.852 -3.453 1.00 0.00 C ATOM 0 H MET A 68 -11.452 -5.794 -3.150 1.00 0.00 H new ATOM 0 HA MET A 68 -11.640 -7.417 -0.645 1.00 0.00 H new ATOM 0 HB2 MET A 68 -12.617 -8.769 -2.489 1.00 0.00 H new ATOM 0 HB3 MET A 68 -11.184 -8.495 -3.460 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.807 -9.821 -2.059 1.00 0.00 H new ATOM 0 HG3 MET A 68 -10.844 -9.609 -0.662 1.00 0.00 H new ATOM 0 HE1 MET A 68 -10.932 -12.804 -3.855 1.00 0.00 H new ATOM 0 HE2 MET A 68 -10.560 -11.109 -4.250 1.00 0.00 H new ATOM 0 HE3 MET A 68 -9.584 -11.976 -3.041 1.00 0.00 H new ATOM 1091 N LEU A 69 -9.271 -6.570 -0.541 1.00 0.00 N ATOM 1092 CA LEU A 69 -7.826 -6.258 -0.469 1.00 0.00 C ATOM 1093 C LEU A 69 -7.040 -7.569 -0.352 1.00 0.00 C ATOM 1094 O LEU A 69 -5.909 -7.668 -0.784 1.00 0.00 O ATOM 1095 CB LEU A 69 -7.587 -5.346 0.743 1.00 0.00 C ATOM 1096 CG LEU A 69 -6.224 -5.638 1.365 1.00 0.00 C ATOM 1097 CD1 LEU A 69 -5.692 -4.373 2.033 1.00 0.00 C ATOM 1098 CD2 LEU A 69 -6.386 -6.749 2.402 1.00 0.00 C ATOM 0 H LEU A 69 -9.797 -6.407 0.318 1.00 0.00 H new ATOM 0 HA LEU A 69 -7.488 -5.740 -1.366 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -7.638 -4.301 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.372 -5.500 1.483 1.00 0.00 H new ATOM 0 HG LEU A 69 -5.519 -5.956 0.597 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.719 -4.579 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.591 -3.583 1.288 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -6.386 -4.053 2.810 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.419 -6.968 2.855 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.084 -6.426 3.175 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.771 -7.646 1.917 1.00 0.00 H new ATOM 1110 N GLY A 70 -7.635 -8.574 0.224 1.00 0.00 N ATOM 1111 CA GLY A 70 -6.933 -9.880 0.369 1.00 0.00 C ATOM 1112 C GLY A 70 -7.847 -10.858 1.104 1.00 0.00 C ATOM 1113 O GLY A 70 -8.700 -11.490 0.514 1.00 0.00 O ATOM 0 H GLY A 70 -8.582 -8.548 0.603 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -6.669 -10.276 -0.612 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -6.002 -9.748 0.921 1.00 0.00 H new ATOM 1117 N ASN A 71 -7.683 -10.979 2.392 1.00 0.00 N ATOM 1118 CA ASN A 71 -8.551 -11.906 3.167 1.00 0.00 C ATOM 1119 C ASN A 71 -9.670 -11.099 3.825 1.00 0.00 C ATOM 1120 O ASN A 71 -10.281 -11.532 4.783 1.00 0.00 O ATOM 1121 CB ASN A 71 -7.722 -12.607 4.245 1.00 0.00 C ATOM 1122 CG ASN A 71 -8.236 -14.035 4.436 1.00 0.00 C ATOM 1123 OD1 ASN A 71 -8.588 -14.699 3.481 1.00 0.00 O ATOM 1124 ND2 ASN A 71 -8.294 -14.540 5.638 1.00 0.00 N ATOM 0 H ASN A 71 -6.985 -10.476 2.940 1.00 0.00 H new ATOM 0 HA ASN A 71 -8.977 -12.657 2.502 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -6.671 -12.623 3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -7.787 -12.057 5.184 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -8.635 -15.492 5.776 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -7.999 -13.983 6.440 1.00 0.00 H new ATOM 1131 N SER A 72 -9.939 -9.925 3.321 1.00 0.00 N ATOM 1132 CA SER A 72 -11.014 -9.089 3.921 1.00 0.00 C ATOM 1133 C SER A 72 -11.647 -8.202 2.845 1.00 0.00 C ATOM 1134 O SER A 72 -10.978 -7.703 1.954 1.00 0.00 O ATOM 1135 CB SER A 72 -10.421 -8.210 5.020 1.00 0.00 C ATOM 1136 OG SER A 72 -11.285 -7.107 5.259 1.00 0.00 O ATOM 0 H SER A 72 -9.461 -9.511 2.521 1.00 0.00 H new ATOM 0 HA SER A 72 -11.779 -9.740 4.345 1.00 0.00 H new ATOM 0 HB2 SER A 72 -10.291 -8.789 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 72 -9.434 -7.855 4.724 1.00 0.00 H new ATOM 0 HG SER A 72 -10.758 -6.338 5.562 1.00 0.00 H new ATOM 1142 N GLU A 73 -12.933 -8.001 2.929 1.00 0.00 N ATOM 1143 CA GLU A 73 -13.626 -7.147 1.926 1.00 0.00 C ATOM 1144 C GLU A 73 -13.927 -5.781 2.547 1.00 0.00 C ATOM 1145 O GLU A 73 -14.517 -5.685 3.605 1.00 0.00 O ATOM 1146 CB GLU A 73 -14.934 -7.818 1.503 1.00 0.00 C ATOM 1147 CG GLU A 73 -14.626 -9.008 0.590 1.00 0.00 C ATOM 1148 CD GLU A 73 -14.454 -10.270 1.436 1.00 0.00 C ATOM 1149 OE1 GLU A 73 -14.149 -10.137 2.610 1.00 0.00 O ATOM 1150 OE2 GLU A 73 -14.629 -11.350 0.895 1.00 0.00 O ATOM 0 H GLU A 73 -13.535 -8.393 3.652 1.00 0.00 H new ATOM 0 HA GLU A 73 -12.988 -7.017 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -15.484 -8.154 2.382 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -15.571 -7.102 0.983 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -15.433 -9.147 -0.129 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -13.719 -8.815 0.017 1.00 0.00 H new ATOM 1157 N PHE A 74 -13.526 -4.726 1.897 1.00 0.00 N ATOM 1158 CA PHE A 74 -13.789 -3.363 2.448 1.00 0.00 C ATOM 1159 C PHE A 74 -13.927 -2.367 1.295 1.00 0.00 C ATOM 1160 O PHE A 74 -12.986 -1.703 0.909 1.00 0.00 O ATOM 1161 CB PHE A 74 -12.637 -2.945 3.361 1.00 0.00 C ATOM 1162 CG PHE A 74 -13.103 -2.957 4.798 1.00 0.00 C ATOM 1163 CD1 PHE A 74 -13.953 -1.948 5.266 1.00 0.00 C ATOM 1164 CD2 PHE A 74 -12.687 -3.978 5.660 1.00 0.00 C ATOM 1165 CE1 PHE A 74 -14.386 -1.958 6.597 1.00 0.00 C ATOM 1166 CE2 PHE A 74 -13.120 -3.989 6.991 1.00 0.00 C ATOM 1167 CZ PHE A 74 -13.970 -2.980 7.460 1.00 0.00 C ATOM 0 H PHE A 74 -13.027 -4.746 1.008 1.00 0.00 H new ATOM 0 HA PHE A 74 -14.713 -3.376 3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -11.794 -3.625 3.235 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -12.287 -1.949 3.089 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -14.275 -1.161 4.600 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -12.032 -4.757 5.298 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -15.040 -1.178 6.958 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -12.798 -4.776 7.657 1.00 0.00 H new ATOM 0 HZ PHE A 74 -14.305 -2.990 8.487 1.00 0.00 H new ATOM 1177 N ASP A 75 -15.101 -2.279 0.741 1.00 0.00 N ATOM 1178 CA ASP A 75 -15.357 -1.355 -0.407 1.00 0.00 C ATOM 1179 C ASP A 75 -14.704 0.010 -0.178 1.00 0.00 C ATOM 1180 O ASP A 75 -14.449 0.742 -1.114 1.00 0.00 O ATOM 1181 CB ASP A 75 -16.866 -1.162 -0.569 1.00 0.00 C ATOM 1182 CG ASP A 75 -17.252 -1.355 -2.037 1.00 0.00 C ATOM 1183 OD1 ASP A 75 -16.522 -2.037 -2.737 1.00 0.00 O ATOM 1184 OD2 ASP A 75 -18.272 -0.816 -2.436 1.00 0.00 O ATOM 0 H ASP A 75 -15.914 -2.818 1.039 1.00 0.00 H new ATOM 0 HA ASP A 75 -14.927 -1.798 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -17.403 -1.875 0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -17.154 -0.165 -0.235 1.00 0.00 H new ATOM 1189 N SER A 76 -14.431 0.369 1.045 1.00 0.00 N ATOM 1190 CA SER A 76 -13.801 1.691 1.294 1.00 0.00 C ATOM 1191 C SER A 76 -12.301 1.580 1.040 1.00 0.00 C ATOM 1192 O SER A 76 -11.647 0.688 1.537 1.00 0.00 O ATOM 1193 CB SER A 76 -14.054 2.107 2.741 1.00 0.00 C ATOM 1194 OG SER A 76 -14.145 0.944 3.554 1.00 0.00 O ATOM 0 H SER A 76 -14.616 -0.192 1.876 1.00 0.00 H new ATOM 0 HA SER A 76 -14.228 2.440 0.628 1.00 0.00 H new ATOM 0 HB2 SER A 76 -13.247 2.749 3.094 1.00 0.00 H new ATOM 0 HB3 SER A 76 -14.975 2.686 2.810 1.00 0.00 H new ATOM 0 HG SER A 76 -14.954 0.993 4.105 1.00 0.00 H new ATOM 1200 N LEU A 77 -11.750 2.471 0.265 1.00 0.00 N ATOM 1201 CA LEU A 77 -10.290 2.405 -0.018 1.00 0.00 C ATOM 1202 C LEU A 77 -9.516 2.852 1.221 1.00 0.00 C ATOM 1203 O LEU A 77 -8.434 2.375 1.496 1.00 0.00 O ATOM 1204 CB LEU A 77 -9.956 3.328 -1.191 1.00 0.00 C ATOM 1205 CG LEU A 77 -8.945 2.640 -2.110 1.00 0.00 C ATOM 1206 CD1 LEU A 77 -9.448 2.696 -3.554 1.00 0.00 C ATOM 1207 CD2 LEU A 77 -7.598 3.359 -2.011 1.00 0.00 C ATOM 0 H LEU A 77 -12.246 3.241 -0.184 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.012 1.382 -0.273 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -10.862 3.570 -1.746 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.547 4.269 -0.822 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.826 1.600 -1.807 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.728 2.206 -4.209 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -10.409 2.186 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.566 3.736 -3.858 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -6.876 2.870 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -7.717 4.399 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -7.240 3.321 -0.982 1.00 0.00 H new ATOM 1219 N VAL A 78 -10.065 3.768 1.970 1.00 0.00 N ATOM 1220 CA VAL A 78 -9.361 4.248 3.191 1.00 0.00 C ATOM 1221 C VAL A 78 -9.677 3.319 4.364 1.00 0.00 C ATOM 1222 O VAL A 78 -8.842 3.074 5.211 1.00 0.00 O ATOM 1223 CB VAL A 78 -9.821 5.669 3.522 1.00 0.00 C ATOM 1224 CG1 VAL A 78 -11.327 5.670 3.791 1.00 0.00 C ATOM 1225 CG2 VAL A 78 -9.082 6.167 4.765 1.00 0.00 C ATOM 0 H VAL A 78 -10.969 4.204 1.789 1.00 0.00 H new ATOM 0 HA VAL A 78 -8.286 4.249 3.012 1.00 0.00 H new ATOM 0 HB VAL A 78 -9.602 6.326 2.680 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -11.654 6.683 4.027 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -11.855 5.315 2.906 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -11.547 5.013 4.632 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -9.409 7.179 5.002 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -9.301 5.509 5.606 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -8.009 6.168 4.574 1.00 0.00 H new ATOM 1235 N ASP A 79 -10.870 2.791 4.421 1.00 0.00 N ATOM 1236 CA ASP A 79 -11.216 1.874 5.540 1.00 0.00 C ATOM 1237 C ASP A 79 -10.505 0.540 5.319 1.00 0.00 C ATOM 1238 O ASP A 79 -10.205 -0.184 6.251 1.00 0.00 O ATOM 1239 CB ASP A 79 -12.729 1.651 5.576 1.00 0.00 C ATOM 1240 CG ASP A 79 -13.245 1.869 6.999 1.00 0.00 C ATOM 1241 OD1 ASP A 79 -12.566 2.539 7.759 1.00 0.00 O ATOM 1242 OD2 ASP A 79 -14.312 1.361 7.305 1.00 0.00 O ATOM 0 H ASP A 79 -11.615 2.955 3.744 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.900 2.311 6.487 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -13.225 2.337 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -12.966 0.641 5.243 1.00 0.00 H new ATOM 1247 N LEU A 80 -10.221 0.220 4.084 1.00 0.00 N ATOM 1248 CA LEU A 80 -9.517 -1.057 3.786 1.00 0.00 C ATOM 1249 C LEU A 80 -8.162 -1.034 4.488 1.00 0.00 C ATOM 1250 O LEU A 80 -7.808 -1.942 5.213 1.00 0.00 O ATOM 1251 CB LEU A 80 -9.308 -1.188 2.270 1.00 0.00 C ATOM 1252 CG LEU A 80 -9.971 -2.471 1.746 1.00 0.00 C ATOM 1253 CD1 LEU A 80 -9.533 -2.706 0.300 1.00 0.00 C ATOM 1254 CD2 LEU A 80 -9.534 -3.665 2.601 1.00 0.00 C ATOM 0 H LEU A 80 -10.447 0.790 3.269 1.00 0.00 H new ATOM 0 HA LEU A 80 -10.108 -1.903 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -9.729 -0.320 1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.242 -1.204 2.044 1.00 0.00 H new ATOM 0 HG LEU A 80 -11.055 -2.365 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -10.000 -3.615 -0.078 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.837 -1.859 -0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -8.449 -2.812 0.261 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -10.006 -4.573 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -8.450 -3.772 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -9.834 -3.501 3.636 1.00 0.00 H new ATOM 1266 N ILE A 81 -7.407 0.010 4.284 1.00 0.00 N ATOM 1267 CA ILE A 81 -6.079 0.112 4.945 1.00 0.00 C ATOM 1268 C ILE A 81 -6.265 0.715 6.346 1.00 0.00 C ATOM 1269 O ILE A 81 -5.345 0.761 7.138 1.00 0.00 O ATOM 1270 CB ILE A 81 -5.147 0.979 4.069 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -3.920 0.153 3.679 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -4.687 2.243 4.812 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -4.144 -0.474 2.301 1.00 0.00 C ATOM 0 H ILE A 81 -7.655 0.798 3.686 1.00 0.00 H new ATOM 0 HA ILE A 81 -5.622 -0.871 5.056 1.00 0.00 H new ATOM 0 HB ILE A 81 -5.702 1.289 3.183 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.033 0.786 3.663 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.742 -0.626 4.420 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -4.033 2.828 4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -5.556 2.841 5.085 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -4.145 1.958 5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.270 -1.063 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -5.021 -1.120 2.333 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.301 0.314 1.564 1.00 0.00 H new ATOM 1285 N SER A 82 -7.449 1.175 6.655 1.00 0.00 N ATOM 1286 CA SER A 82 -7.689 1.770 8.000 1.00 0.00 C ATOM 1287 C SER A 82 -7.537 0.686 9.065 1.00 0.00 C ATOM 1288 O SER A 82 -6.757 0.813 9.988 1.00 0.00 O ATOM 1289 CB SER A 82 -9.103 2.344 8.066 1.00 0.00 C ATOM 1290 OG SER A 82 -9.357 2.812 9.384 1.00 0.00 O ATOM 0 H SER A 82 -8.258 1.164 6.034 1.00 0.00 H new ATOM 0 HA SER A 82 -6.966 2.567 8.176 1.00 0.00 H new ATOM 0 HB2 SER A 82 -9.211 3.159 7.351 1.00 0.00 H new ATOM 0 HB3 SER A 82 -9.831 1.581 7.792 1.00 0.00 H new ATOM 0 HG SER A 82 -10.263 3.183 9.431 1.00 0.00 H new ATOM 1296 N TYR A 83 -8.275 -0.385 8.949 1.00 0.00 N ATOM 1297 CA TYR A 83 -8.159 -1.471 9.962 1.00 0.00 C ATOM 1298 C TYR A 83 -6.865 -2.252 9.712 1.00 0.00 C ATOM 1299 O TYR A 83 -6.171 -2.641 10.632 1.00 0.00 O ATOM 1300 CB TYR A 83 -9.376 -2.402 9.861 1.00 0.00 C ATOM 1301 CG TYR A 83 -9.186 -3.391 8.734 1.00 0.00 C ATOM 1302 CD1 TYR A 83 -8.506 -4.591 8.967 1.00 0.00 C ATOM 1303 CD2 TYR A 83 -9.691 -3.107 7.460 1.00 0.00 C ATOM 1304 CE1 TYR A 83 -8.330 -5.509 7.926 1.00 0.00 C ATOM 1305 CE2 TYR A 83 -9.516 -4.026 6.418 1.00 0.00 C ATOM 1306 CZ TYR A 83 -8.835 -5.226 6.652 1.00 0.00 C ATOM 1307 OH TYR A 83 -8.662 -6.133 5.627 1.00 0.00 O ATOM 0 H TYR A 83 -8.949 -0.554 8.202 1.00 0.00 H new ATOM 0 HA TYR A 83 -8.131 -1.044 10.965 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -9.515 -2.934 10.802 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.279 -1.815 9.691 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -8.117 -4.809 9.951 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -10.215 -2.180 7.281 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -7.805 -6.435 8.106 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -9.906 -3.809 5.435 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.705 -6.263 5.464 1.00 0.00 H new ATOM 1317 N TYR A 84 -6.532 -2.474 8.469 1.00 0.00 N ATOM 1318 CA TYR A 84 -5.281 -3.218 8.157 1.00 0.00 C ATOM 1319 C TYR A 84 -4.075 -2.333 8.478 1.00 0.00 C ATOM 1320 O TYR A 84 -2.947 -2.784 8.489 1.00 0.00 O ATOM 1321 CB TYR A 84 -5.262 -3.592 6.672 1.00 0.00 C ATOM 1322 CG TYR A 84 -5.356 -5.094 6.525 1.00 0.00 C ATOM 1323 CD1 TYR A 84 -4.663 -5.930 7.409 1.00 0.00 C ATOM 1324 CD2 TYR A 84 -6.136 -5.650 5.504 1.00 0.00 C ATOM 1325 CE1 TYR A 84 -4.751 -7.322 7.272 1.00 0.00 C ATOM 1326 CE2 TYR A 84 -6.224 -7.041 5.368 1.00 0.00 C ATOM 1327 CZ TYR A 84 -5.532 -7.876 6.252 1.00 0.00 C ATOM 1328 OH TYR A 84 -5.620 -9.248 6.118 1.00 0.00 O ATOM 0 H TYR A 84 -7.072 -2.172 7.658 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.238 -4.127 8.757 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.094 -3.113 6.156 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -4.346 -3.228 6.207 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -4.061 -5.502 8.197 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -6.670 -5.006 4.821 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -4.216 -7.967 7.954 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -6.826 -7.469 4.580 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.203 -9.466 5.361 1.00 0.00 H new ATOM 1338 N GLU A 85 -4.305 -1.075 8.747 1.00 0.00 N ATOM 1339 CA GLU A 85 -3.171 -0.167 9.076 1.00 0.00 C ATOM 1340 C GLU A 85 -2.536 -0.630 10.386 1.00 0.00 C ATOM 1341 O GLU A 85 -1.333 -0.604 10.550 1.00 0.00 O ATOM 1342 CB GLU A 85 -3.684 1.266 9.231 1.00 0.00 C ATOM 1343 CG GLU A 85 -3.148 2.129 8.087 1.00 0.00 C ATOM 1344 CD GLU A 85 -1.838 2.792 8.517 1.00 0.00 C ATOM 1345 OE1 GLU A 85 -1.243 2.320 9.471 1.00 0.00 O ATOM 1346 OE2 GLU A 85 -1.453 3.761 7.883 1.00 0.00 O ATOM 0 H GLU A 85 -5.227 -0.639 8.753 1.00 0.00 H new ATOM 0 HA GLU A 85 -2.432 -0.193 8.275 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -4.774 1.275 9.227 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -3.365 1.676 10.189 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.984 1.516 7.201 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -3.881 2.889 7.817 1.00 0.00 H new ATOM 1353 N LYS A 86 -3.341 -1.068 11.316 1.00 0.00 N ATOM 1354 CA LYS A 86 -2.791 -1.549 12.611 1.00 0.00 C ATOM 1355 C LYS A 86 -2.503 -3.044 12.490 1.00 0.00 C ATOM 1356 O LYS A 86 -1.598 -3.566 13.110 1.00 0.00 O ATOM 1357 CB LYS A 86 -3.813 -1.312 13.725 1.00 0.00 C ATOM 1358 CG LYS A 86 -5.146 -1.958 13.341 1.00 0.00 C ATOM 1359 CD LYS A 86 -6.070 -1.986 14.559 1.00 0.00 C ATOM 1360 CE LYS A 86 -6.914 -0.712 14.589 1.00 0.00 C ATOM 1361 NZ LYS A 86 -6.030 0.465 14.822 1.00 0.00 N ATOM 0 H LYS A 86 -4.357 -1.113 11.233 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.875 -1.009 12.851 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.449 -1.733 14.662 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.948 -0.243 13.887 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.613 -1.399 12.530 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -4.979 -2.971 12.975 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.717 -2.862 14.518 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.482 -2.067 15.473 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -7.451 -0.596 13.647 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.664 -0.778 15.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -6.564 1.208 15.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -5.217 0.179 15.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -5.691 0.831 13.909 1.00 0.00 H new ATOM 1375 N HIS A 87 -3.264 -3.735 11.685 1.00 0.00 N ATOM 1376 CA HIS A 87 -3.032 -5.194 11.510 1.00 0.00 C ATOM 1377 C HIS A 87 -1.949 -5.403 10.451 1.00 0.00 C ATOM 1378 O HIS A 87 -1.570 -4.478 9.761 1.00 0.00 O ATOM 1379 CB HIS A 87 -4.328 -5.867 11.058 1.00 0.00 C ATOM 1380 CG HIS A 87 -4.836 -6.764 12.154 1.00 0.00 C ATOM 1381 ND1 HIS A 87 -5.027 -8.124 11.967 1.00 0.00 N ATOM 1382 CD2 HIS A 87 -5.198 -6.509 13.453 1.00 0.00 C ATOM 1383 CE1 HIS A 87 -5.485 -8.632 13.126 1.00 0.00 C ATOM 1384 NE2 HIS A 87 -5.606 -7.691 14.066 1.00 0.00 N ATOM 0 H HIS A 87 -4.037 -3.350 11.141 1.00 0.00 H new ATOM 0 HA HIS A 87 -2.711 -5.632 12.455 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.076 -5.113 10.815 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -4.153 -6.446 10.151 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.171 -5.539 13.928 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -5.725 -9.674 13.278 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -5.928 -7.812 15.026 1.00 0.00 H new ATOM 1392 N PRO A 88 -1.484 -6.617 10.360 1.00 0.00 N ATOM 1393 CA PRO A 88 -0.428 -7.051 9.409 1.00 0.00 C ATOM 1394 C PRO A 88 -1.016 -7.255 8.011 1.00 0.00 C ATOM 1395 O PRO A 88 -2.019 -7.917 7.836 1.00 0.00 O ATOM 1396 CB PRO A 88 0.103 -8.371 9.965 1.00 0.00 C ATOM 1397 CG PRO A 88 -1.008 -8.939 10.853 1.00 0.00 C ATOM 1398 CD PRO A 88 -1.937 -7.765 11.194 1.00 0.00 C ATOM 0 HA PRO A 88 0.362 -6.306 9.313 1.00 0.00 H new ATOM 0 HB2 PRO A 88 0.348 -9.062 9.159 1.00 0.00 H new ATOM 0 HB3 PRO A 88 1.017 -8.212 10.538 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.554 -9.728 10.335 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -0.593 -9.381 11.759 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.976 -8.016 10.979 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -1.881 -7.521 12.255 1.00 0.00 H new ATOM 1406 N LEU A 89 -0.389 -6.695 7.012 1.00 0.00 N ATOM 1407 CA LEU A 89 -0.897 -6.857 5.622 1.00 0.00 C ATOM 1408 C LEU A 89 -0.369 -8.174 5.058 1.00 0.00 C ATOM 1409 O LEU A 89 -1.084 -9.150 4.961 1.00 0.00 O ATOM 1410 CB LEU A 89 -0.397 -5.698 4.755 1.00 0.00 C ATOM 1411 CG LEU A 89 -1.391 -4.540 4.820 1.00 0.00 C ATOM 1412 CD1 LEU A 89 -2.719 -4.971 4.197 1.00 0.00 C ATOM 1413 CD2 LEU A 89 -1.615 -4.145 6.281 1.00 0.00 C ATOM 0 H LEU A 89 0.456 -6.131 7.100 1.00 0.00 H new ATOM 0 HA LEU A 89 -1.987 -6.860 5.624 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.583 -5.369 5.101 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.276 -6.029 3.723 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.994 -3.687 4.269 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -3.428 -4.144 4.244 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -2.558 -5.253 3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -3.119 -5.823 4.746 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -2.324 -3.319 6.330 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.013 -4.998 6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.668 -3.837 6.724 1.00 0.00 H new ATOM 1425 N TYR A 90 0.884 -8.213 4.699 1.00 0.00 N ATOM 1426 CA TYR A 90 1.461 -9.472 4.153 1.00 0.00 C ATOM 1427 C TYR A 90 1.977 -10.324 5.318 1.00 0.00 C ATOM 1428 O TYR A 90 1.429 -10.303 6.402 1.00 0.00 O ATOM 1429 CB TYR A 90 2.604 -9.138 3.183 1.00 0.00 C ATOM 1430 CG TYR A 90 2.798 -10.265 2.181 1.00 0.00 C ATOM 1431 CD1 TYR A 90 2.106 -11.478 2.327 1.00 0.00 C ATOM 1432 CD2 TYR A 90 3.683 -10.095 1.106 1.00 0.00 C ATOM 1433 CE1 TYR A 90 2.297 -12.511 1.403 1.00 0.00 C ATOM 1434 CE2 TYR A 90 3.873 -11.133 0.185 1.00 0.00 C ATOM 1435 CZ TYR A 90 3.181 -12.340 0.333 1.00 0.00 C ATOM 1436 OH TYR A 90 3.370 -13.361 -0.576 1.00 0.00 O ATOM 0 H TYR A 90 1.532 -7.428 4.760 1.00 0.00 H new ATOM 0 HA TYR A 90 0.699 -10.030 3.609 1.00 0.00 H new ATOM 0 HB2 TYR A 90 2.383 -8.210 2.657 1.00 0.00 H new ATOM 0 HB3 TYR A 90 3.527 -8.976 3.741 1.00 0.00 H new ATOM 0 HD1 TYR A 90 1.425 -11.614 3.154 1.00 0.00 H new ATOM 0 HD2 TYR A 90 4.218 -9.164 0.989 1.00 0.00 H new ATOM 0 HE1 TYR A 90 1.761 -13.442 1.516 1.00 0.00 H new ATOM 0 HE2 TYR A 90 4.555 -11.001 -0.642 1.00 0.00 H new ATOM 0 HH TYR A 90 4.015 -13.077 -1.257 1.00 0.00 H new ATOM 1446 N ARG A 91 3.012 -11.082 5.104 1.00 0.00 N ATOM 1447 CA ARG A 91 3.548 -11.946 6.196 1.00 0.00 C ATOM 1448 C ARG A 91 4.392 -11.117 7.172 1.00 0.00 C ATOM 1449 O ARG A 91 5.030 -11.657 8.055 1.00 0.00 O ATOM 1450 CB ARG A 91 4.423 -13.042 5.586 1.00 0.00 C ATOM 1451 CG ARG A 91 3.905 -14.413 6.024 1.00 0.00 C ATOM 1452 CD ARG A 91 3.900 -14.496 7.552 1.00 0.00 C ATOM 1453 NE ARG A 91 5.298 -14.636 8.048 1.00 0.00 N ATOM 1454 CZ ARG A 91 5.567 -14.421 9.307 1.00 0.00 C ATOM 1455 NH1 ARG A 91 4.644 -14.597 10.212 1.00 0.00 N ATOM 1456 NH2 ARG A 91 6.760 -14.027 9.661 1.00 0.00 N ATOM 0 H ARG A 91 3.514 -11.143 4.218 1.00 0.00 H new ATOM 0 HA ARG A 91 2.712 -12.388 6.738 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.412 -12.968 4.499 1.00 0.00 H new ATOM 0 HB3 ARG A 91 5.458 -12.914 5.903 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.898 -14.573 5.638 1.00 0.00 H new ATOM 0 HG3 ARG A 91 4.534 -15.200 5.609 1.00 0.00 H new ATOM 0 HD2 ARG A 91 3.441 -13.602 7.974 1.00 0.00 H new ATOM 0 HD3 ARG A 91 3.300 -15.346 7.878 1.00 0.00 H new ATOM 0 HE ARG A 91 6.044 -14.900 7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.711 -14.903 9.936 1.00 0.00 H new ATOM 0 HH12 ARG A 91 4.855 -14.429 11.196 1.00 0.00 H new ATOM 0 HH21 ARG A 91 7.482 -13.887 8.954 1.00 0.00 H new ATOM 0 HH22 ARG A 91 6.971 -13.859 10.645 1.00 0.00 H new ATOM 1470 N LYS A 92 4.412 -9.817 7.032 1.00 0.00 N ATOM 1471 CA LYS A 92 5.232 -8.995 7.970 1.00 0.00 C ATOM 1472 C LYS A 92 4.905 -7.507 7.807 1.00 0.00 C ATOM 1473 O LYS A 92 4.799 -6.782 8.776 1.00 0.00 O ATOM 1474 CB LYS A 92 6.717 -9.222 7.681 1.00 0.00 C ATOM 1475 CG LYS A 92 6.924 -9.383 6.174 1.00 0.00 C ATOM 1476 CD LYS A 92 8.399 -9.672 5.890 1.00 0.00 C ATOM 1477 CE LYS A 92 9.226 -8.410 6.145 1.00 0.00 C ATOM 1478 NZ LYS A 92 10.169 -8.196 5.012 1.00 0.00 N ATOM 0 H LYS A 92 3.903 -9.295 6.319 1.00 0.00 H new ATOM 0 HA LYS A 92 5.002 -9.296 8.992 1.00 0.00 H new ATOM 0 HB2 LYS A 92 7.303 -8.381 8.052 1.00 0.00 H new ATOM 0 HB3 LYS A 92 7.069 -10.111 8.204 1.00 0.00 H new ATOM 0 HG2 LYS A 92 6.304 -10.196 5.796 1.00 0.00 H new ATOM 0 HG3 LYS A 92 6.613 -8.476 5.655 1.00 0.00 H new ATOM 0 HD2 LYS A 92 8.750 -10.484 6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 92 8.524 -9.999 4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 92 8.569 -7.547 6.253 1.00 0.00 H new ATOM 0 HE3 LYS A 92 9.779 -8.508 7.079 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 10.294 -7.176 4.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 11.088 -8.626 5.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 9.784 -8.637 4.152 1.00 0.00 H new ATOM 1492 N MET A 93 4.754 -7.043 6.595 1.00 0.00 N ATOM 1493 CA MET A 93 4.441 -5.598 6.380 1.00 0.00 C ATOM 1494 C MET A 93 3.293 -5.183 7.302 1.00 0.00 C ATOM 1495 O MET A 93 2.520 -6.007 7.748 1.00 0.00 O ATOM 1496 CB MET A 93 4.030 -5.376 4.924 1.00 0.00 C ATOM 1497 CG MET A 93 5.272 -5.082 4.082 1.00 0.00 C ATOM 1498 SD MET A 93 5.797 -6.594 3.238 1.00 0.00 S ATOM 1499 CE MET A 93 7.358 -6.821 4.126 1.00 0.00 C ATOM 0 H MET A 93 4.834 -7.601 5.745 1.00 0.00 H new ATOM 0 HA MET A 93 5.323 -4.998 6.604 1.00 0.00 H new ATOM 0 HB2 MET A 93 3.519 -6.259 4.541 1.00 0.00 H new ATOM 0 HB3 MET A 93 3.327 -4.546 4.856 1.00 0.00 H new ATOM 0 HG2 MET A 93 5.054 -4.302 3.352 1.00 0.00 H new ATOM 0 HG3 MET A 93 6.076 -4.709 4.717 1.00 0.00 H new ATOM 0 HE1 MET A 93 7.728 -7.833 3.959 1.00 0.00 H new ATOM 0 HE2 MET A 93 8.092 -6.102 3.762 1.00 0.00 H new ATOM 0 HE3 MET A 93 7.196 -6.665 5.193 1.00 0.00 H new ATOM 1509 N LYS A 94 3.173 -3.916 7.597 1.00 0.00 N ATOM 1510 CA LYS A 94 2.069 -3.471 8.495 1.00 0.00 C ATOM 1511 C LYS A 94 1.729 -2.010 8.206 1.00 0.00 C ATOM 1512 O LYS A 94 1.105 -1.341 9.005 1.00 0.00 O ATOM 1513 CB LYS A 94 2.516 -3.610 9.953 1.00 0.00 C ATOM 1514 CG LYS A 94 1.455 -4.375 10.745 1.00 0.00 C ATOM 1515 CD LYS A 94 1.648 -4.115 12.240 1.00 0.00 C ATOM 1516 CE LYS A 94 1.719 -5.448 12.988 1.00 0.00 C ATOM 1517 NZ LYS A 94 1.702 -5.195 14.456 1.00 0.00 N ATOM 0 H LYS A 94 3.787 -3.175 7.258 1.00 0.00 H new ATOM 0 HA LYS A 94 1.188 -4.088 8.320 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.470 -4.135 10.003 1.00 0.00 H new ATOM 0 HB3 LYS A 94 2.671 -2.624 10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.458 -4.060 10.436 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.531 -5.442 10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.562 -3.545 12.405 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.824 -3.514 12.624 1.00 0.00 H new ATOM 0 HE2 LYS A 94 0.877 -6.080 12.707 1.00 0.00 H new ATOM 0 HE3 LYS A 94 2.626 -5.985 12.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.750 -6.101 14.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 2.520 -4.607 14.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.824 -4.700 14.713 1.00 0.00 H new ATOM 1531 N LEU A 95 2.135 -1.508 7.068 1.00 0.00 N ATOM 1532 CA LEU A 95 1.839 -0.088 6.728 1.00 0.00 C ATOM 1533 C LEU A 95 2.212 0.799 7.915 1.00 0.00 C ATOM 1534 O LEU A 95 1.633 1.845 8.131 1.00 0.00 O ATOM 1535 CB LEU A 95 0.349 0.069 6.419 1.00 0.00 C ATOM 1536 CG LEU A 95 -0.138 -1.144 5.624 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -1.598 -0.936 5.222 1.00 0.00 C ATOM 1538 CD2 LEU A 95 0.719 -1.305 4.366 1.00 0.00 C ATOM 0 H LEU A 95 2.659 -2.022 6.360 1.00 0.00 H new ATOM 0 HA LEU A 95 2.418 0.206 5.853 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -0.218 0.161 7.346 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.179 0.983 5.849 1.00 0.00 H new ATOM 0 HG LEU A 95 -0.054 -2.040 6.239 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -1.946 -1.800 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -2.209 -0.819 6.117 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -1.682 -0.041 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 95 0.373 -2.169 3.798 1.00 0.00 H new ATOM 0 HD22 LEU A 95 0.634 -0.409 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.761 -1.452 4.652 1.00 0.00 H new ATOM 1550 N ARG A 96 3.176 0.383 8.684 1.00 0.00 N ATOM 1551 CA ARG A 96 3.594 1.190 9.862 1.00 0.00 C ATOM 1552 C ARG A 96 4.709 2.152 9.453 1.00 0.00 C ATOM 1553 O ARG A 96 5.238 2.882 10.268 1.00 0.00 O ATOM 1554 CB ARG A 96 4.099 0.261 10.966 1.00 0.00 C ATOM 1555 CG ARG A 96 3.057 0.185 12.085 1.00 0.00 C ATOM 1556 CD ARG A 96 3.675 0.681 13.394 1.00 0.00 C ATOM 1557 NE ARG A 96 5.019 0.062 13.583 1.00 0.00 N ATOM 1558 CZ ARG A 96 5.231 -1.170 13.207 1.00 0.00 C ATOM 1559 NH1 ARG A 96 4.591 -2.148 13.786 1.00 0.00 N ATOM 1560 NH2 ARG A 96 6.084 -1.423 12.252 1.00 0.00 N ATOM 0 H ARG A 96 3.695 -0.484 8.547 1.00 0.00 H new ATOM 0 HA ARG A 96 2.741 1.760 10.231 1.00 0.00 H new ATOM 0 HB2 ARG A 96 4.287 -0.734 10.561 1.00 0.00 H new ATOM 0 HB3 ARG A 96 5.046 0.629 11.361 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.188 0.791 11.829 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.707 -0.841 12.202 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.764 1.767 13.377 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.026 0.428 14.232 1.00 0.00 H new ATOM 0 HE ARG A 96 5.773 0.602 14.007 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.925 -1.950 14.533 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.757 -3.111 13.492 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.585 -0.658 11.800 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.250 -2.386 11.958 1.00 0.00 H new ATOM 1574 N TYR A 97 5.074 2.160 8.199 1.00 0.00 N ATOM 1575 CA TYR A 97 6.158 3.081 7.752 1.00 0.00 C ATOM 1576 C TYR A 97 5.611 4.066 6.715 1.00 0.00 C ATOM 1577 O TYR A 97 5.824 3.900 5.532 1.00 0.00 O ATOM 1578 CB TYR A 97 7.297 2.268 7.135 1.00 0.00 C ATOM 1579 CG TYR A 97 8.484 2.273 8.070 1.00 0.00 C ATOM 1580 CD1 TYR A 97 8.317 1.913 9.413 1.00 0.00 C ATOM 1581 CD2 TYR A 97 9.749 2.637 7.595 1.00 0.00 C ATOM 1582 CE1 TYR A 97 9.417 1.919 10.280 1.00 0.00 C ATOM 1583 CE2 TYR A 97 10.848 2.642 8.461 1.00 0.00 C ATOM 1584 CZ TYR A 97 10.682 2.283 9.804 1.00 0.00 C ATOM 1585 OH TYR A 97 11.766 2.289 10.659 1.00 0.00 O ATOM 0 H TYR A 97 4.671 1.572 7.469 1.00 0.00 H new ATOM 0 HA TYR A 97 6.532 3.638 8.611 1.00 0.00 H new ATOM 0 HB2 TYR A 97 6.970 1.245 6.951 1.00 0.00 H new ATOM 0 HB3 TYR A 97 7.579 2.690 6.170 1.00 0.00 H new ATOM 0 HD1 TYR A 97 7.341 1.631 9.780 1.00 0.00 H new ATOM 0 HD2 TYR A 97 9.877 2.914 6.559 1.00 0.00 H new ATOM 0 HE1 TYR A 97 9.289 1.643 11.316 1.00 0.00 H new ATOM 0 HE2 TYR A 97 11.824 2.923 8.094 1.00 0.00 H new ATOM 0 HH TYR A 97 12.416 1.616 10.367 1.00 0.00 H new ATOM 1595 N PRO A 98 4.927 5.073 7.193 1.00 0.00 N ATOM 1596 CA PRO A 98 4.317 6.152 6.372 1.00 0.00 C ATOM 1597 C PRO A 98 5.357 7.218 6.021 1.00 0.00 C ATOM 1598 O PRO A 98 5.026 8.354 5.750 1.00 0.00 O ATOM 1599 CB PRO A 98 3.220 6.757 7.245 1.00 0.00 C ATOM 1600 CG PRO A 98 3.607 6.438 8.694 1.00 0.00 C ATOM 1601 CD PRO A 98 4.637 5.300 8.636 1.00 0.00 C ATOM 0 HA PRO A 98 3.926 5.766 5.431 1.00 0.00 H new ATOM 0 HB2 PRO A 98 3.147 7.833 7.089 1.00 0.00 H new ATOM 0 HB3 PRO A 98 2.247 6.332 6.999 1.00 0.00 H new ATOM 0 HG2 PRO A 98 4.028 7.316 9.184 1.00 0.00 H new ATOM 0 HG3 PRO A 98 2.732 6.139 9.271 1.00 0.00 H new ATOM 0 HD2 PRO A 98 5.544 5.568 9.177 1.00 0.00 H new ATOM 0 HD3 PRO A 98 4.244 4.396 9.101 1.00 0.00 H new ATOM 1609 N ILE A 99 6.605 6.856 6.019 1.00 0.00 N ATOM 1610 CA ILE A 99 7.679 7.835 5.685 1.00 0.00 C ATOM 1611 C ILE A 99 8.971 7.065 5.387 1.00 0.00 C ATOM 1612 O ILE A 99 9.084 5.890 5.676 1.00 0.00 O ATOM 1613 CB ILE A 99 7.893 8.789 6.877 1.00 0.00 C ATOM 1614 CG1 ILE A 99 6.915 9.962 6.777 1.00 0.00 C ATOM 1615 CG2 ILE A 99 9.324 9.339 6.875 1.00 0.00 C ATOM 1616 CD1 ILE A 99 5.816 9.806 7.829 1.00 0.00 C ATOM 0 H ILE A 99 6.934 5.915 6.236 1.00 0.00 H new ATOM 0 HA ILE A 99 7.395 8.422 4.812 1.00 0.00 H new ATOM 0 HB ILE A 99 7.722 8.233 7.799 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.444 10.903 6.926 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.476 9.998 5.780 1.00 0.00 H new ATOM 0 HG21 ILE A 99 9.457 10.010 7.723 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.031 8.513 6.952 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.503 9.885 5.949 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.121 10.642 7.756 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.280 8.872 7.659 1.00 0.00 H new ATOM 0 HD13 ILE A 99 6.263 9.792 8.823 1.00 0.00 H new ATOM 1628 N ASN A 100 9.944 7.718 4.813 1.00 0.00 N ATOM 1629 CA ASN A 100 11.223 7.023 4.502 1.00 0.00 C ATOM 1630 C ASN A 100 12.209 7.244 5.652 1.00 0.00 C ATOM 1631 O ASN A 100 12.145 8.233 6.355 1.00 0.00 O ATOM 1632 CB ASN A 100 11.812 7.590 3.209 1.00 0.00 C ATOM 1633 CG ASN A 100 11.439 6.685 2.035 1.00 0.00 C ATOM 1634 OD1 ASN A 100 10.990 5.573 2.226 1.00 0.00 O ATOM 1635 ND2 ASN A 100 11.607 7.119 0.816 1.00 0.00 N ATOM 0 H ASN A 100 9.908 8.702 4.546 1.00 0.00 H new ATOM 0 HA ASN A 100 11.038 5.956 4.377 1.00 0.00 H new ATOM 0 HB2 ASN A 100 11.435 8.598 3.038 1.00 0.00 H new ATOM 0 HB3 ASN A 100 12.896 7.665 3.294 1.00 0.00 H new ATOM 0 HD21 ASN A 100 11.361 6.524 0.025 1.00 0.00 H new ATOM 0 HD22 ASN A 100 11.984 8.053 0.655 1.00 0.00 H new ATOM 1642 N GLU A 101 13.121 6.331 5.849 1.00 0.00 N ATOM 1643 CA GLU A 101 14.107 6.492 6.954 1.00 0.00 C ATOM 1644 C GLU A 101 14.823 7.837 6.806 1.00 0.00 C ATOM 1645 O GLU A 101 15.587 8.045 5.885 1.00 0.00 O ATOM 1646 CB GLU A 101 15.136 5.360 6.890 1.00 0.00 C ATOM 1647 CG GLU A 101 16.279 5.654 7.862 1.00 0.00 C ATOM 1648 CD GLU A 101 17.096 4.380 8.090 1.00 0.00 C ATOM 1649 OE1 GLU A 101 17.528 3.794 7.111 1.00 0.00 O ATOM 1650 OE2 GLU A 101 17.277 4.014 9.239 1.00 0.00 O ATOM 0 H GLU A 101 13.225 5.482 5.293 1.00 0.00 H new ATOM 0 HA GLU A 101 13.587 6.458 7.911 1.00 0.00 H new ATOM 0 HB2 GLU A 101 14.664 4.411 7.143 1.00 0.00 H new ATOM 0 HB3 GLU A 101 15.523 5.263 5.876 1.00 0.00 H new ATOM 0 HG2 GLU A 101 16.918 6.441 7.462 1.00 0.00 H new ATOM 0 HG3 GLU A 101 15.881 6.018 8.809 1.00 0.00 H new ATOM 1657 N GLU A 102 14.581 8.751 7.706 1.00 0.00 N ATOM 1658 CA GLU A 102 15.249 10.079 7.613 1.00 0.00 C ATOM 1659 C GLU A 102 15.103 10.821 8.943 1.00 0.00 C ATOM 1660 O GLU A 102 16.009 11.496 9.390 1.00 0.00 O ATOM 1661 CB GLU A 102 14.598 10.900 6.497 1.00 0.00 C ATOM 1662 CG GLU A 102 15.560 12.002 6.048 1.00 0.00 C ATOM 1663 CD GLU A 102 14.854 12.921 5.049 1.00 0.00 C ATOM 1664 OE1 GLU A 102 13.665 13.139 5.213 1.00 0.00 O ATOM 1665 OE2 GLU A 102 15.514 13.390 4.137 1.00 0.00 O ATOM 0 H GLU A 102 13.951 8.635 8.500 1.00 0.00 H new ATOM 0 HA GLU A 102 16.307 9.937 7.392 1.00 0.00 H new ATOM 0 HB2 GLU A 102 14.348 10.255 5.655 1.00 0.00 H new ATOM 0 HB3 GLU A 102 13.665 11.339 6.850 1.00 0.00 H new ATOM 0 HG2 GLU A 102 15.899 12.577 6.910 1.00 0.00 H new ATOM 0 HG3 GLU A 102 16.446 11.562 5.590 1.00 0.00 H new ATOM 1672 N ASN A 103 13.970 10.702 9.579 1.00 0.00 N ATOM 1673 CA ASN A 103 13.771 11.402 10.879 1.00 0.00 C ATOM 1674 C ASN A 103 12.646 10.721 11.662 1.00 0.00 C ATOM 1675 O ASN A 103 11.886 11.363 12.359 1.00 0.00 O ATOM 1676 CB ASN A 103 13.398 12.863 10.619 1.00 0.00 C ATOM 1677 CG ASN A 103 14.370 13.779 11.364 1.00 0.00 C ATOM 1678 OD1 ASN A 103 15.090 14.545 10.753 1.00 0.00 O ATOM 1679 ND2 ASN A 103 14.422 13.734 12.666 1.00 0.00 N ATOM 0 H ASN A 103 13.175 10.151 9.255 1.00 0.00 H new ATOM 0 HA ASN A 103 14.693 11.358 11.458 1.00 0.00 H new ATOM 0 HB2 ASN A 103 13.431 13.073 9.550 1.00 0.00 H new ATOM 0 HB3 ASN A 103 12.377 13.053 10.950 1.00 0.00 H new ATOM 0 HD21 ASN A 103 15.067 14.341 13.172 1.00 0.00 H new ATOM 0 HD22 ASN A 103 13.818 13.091 13.179 1.00 0.00 H new ATOM 1686 N SER A 104 12.534 9.426 11.552 1.00 0.00 N ATOM 1687 CA SER A 104 11.456 8.707 12.290 1.00 0.00 C ATOM 1688 C SER A 104 12.046 8.046 13.538 1.00 0.00 C ATOM 1689 O SER A 104 11.550 7.044 14.014 1.00 0.00 O ATOM 1690 CB SER A 104 10.845 7.636 11.386 1.00 0.00 C ATOM 1691 OG SER A 104 11.806 6.617 11.149 1.00 0.00 O ATOM 0 H SER A 104 13.141 8.835 10.984 1.00 0.00 H new ATOM 0 HA SER A 104 10.683 9.416 12.585 1.00 0.00 H new ATOM 0 HB2 SER A 104 9.957 7.212 11.854 1.00 0.00 H new ATOM 0 HB3 SER A 104 10.527 8.079 10.442 1.00 0.00 H new ATOM 0 HG SER A 104 11.416 5.928 10.571 1.00 0.00 H new ATOM 1697 N SER A 105 13.102 8.596 14.072 1.00 0.00 N ATOM 1698 CA SER A 105 13.721 7.997 15.288 1.00 0.00 C ATOM 1699 C SER A 105 13.417 8.878 16.501 1.00 0.00 C ATOM 1700 O SER A 105 13.982 9.956 16.583 1.00 0.00 O ATOM 1701 CB SER A 105 15.235 7.900 15.095 1.00 0.00 C ATOM 1702 OG SER A 105 15.640 6.545 15.232 1.00 0.00 O ATOM 1703 OXT SER A 105 12.623 8.461 17.328 1.00 0.00 O ATOM 0 H SER A 105 13.563 9.434 13.719 1.00 0.00 H new ATOM 0 HA SER A 105 13.311 7.000 15.451 1.00 0.00 H new ATOM 0 HB2 SER A 105 15.513 8.277 14.111 1.00 0.00 H new ATOM 0 HB3 SER A 105 15.747 8.521 15.830 1.00 0.00 H new ATOM 0 HG SER A 105 16.610 6.479 15.107 1.00 0.00 H new TER 1709 SER A 105 ATOM 1710 N ASP B 1 8.009 -13.476 -10.793 1.00 0.00 N ATOM 1711 CA ASP B 1 6.943 -12.497 -10.439 1.00 0.00 C ATOM 1712 C ASP B 1 7.404 -11.651 -9.250 1.00 0.00 C ATOM 1713 O ASP B 1 7.354 -12.080 -8.114 1.00 0.00 O ATOM 1714 CB ASP B 1 5.664 -13.249 -10.067 1.00 0.00 C ATOM 1715 CG ASP B 1 4.487 -12.681 -10.862 1.00 0.00 C ATOM 1716 OD1 ASP B 1 4.584 -11.544 -11.296 1.00 0.00 O ATOM 1717 OD2 ASP B 1 3.508 -13.391 -11.024 1.00 0.00 O ATOM 0 H1 ASP B 1 7.697 -14.052 -11.601 1.00 0.00 H new ATOM 0 H2 ASP B 1 8.879 -12.965 -11.047 1.00 0.00 H new ATOM 0 H3 ASP B 1 8.196 -14.095 -9.979 1.00 0.00 H new ATOM 0 HA ASP B 1 6.746 -11.848 -11.292 1.00 0.00 H new ATOM 0 HB2 ASP B 1 5.780 -14.312 -10.279 1.00 0.00 H new ATOM 0 HB3 ASP B 1 5.473 -13.156 -8.998 1.00 0.00 H new ATOM 1724 N ASN B 2 7.855 -10.453 -9.501 1.00 0.00 N ATOM 1725 CA ASN B 2 8.319 -9.583 -8.385 1.00 0.00 C ATOM 1726 C ASN B 2 7.643 -8.213 -8.486 1.00 0.00 C ATOM 1727 O ASN B 2 6.836 -7.970 -9.361 1.00 0.00 O ATOM 1728 CB ASN B 2 9.838 -9.412 -8.471 1.00 0.00 C ATOM 1729 CG ASN B 2 10.438 -9.465 -7.064 1.00 0.00 C ATOM 1730 OD1 ASN B 2 10.676 -8.441 -6.454 1.00 0.00 O ATOM 1731 ND2 ASN B 2 10.695 -10.622 -6.520 1.00 0.00 N ATOM 0 H ASN B 2 7.922 -10.039 -10.431 1.00 0.00 H new ATOM 0 HA ASN B 2 8.058 -10.044 -7.433 1.00 0.00 H new ATOM 0 HB2 ASN B 2 10.269 -10.198 -9.091 1.00 0.00 H new ATOM 0 HB3 ASN B 2 10.081 -8.462 -8.946 1.00 0.00 H new ATOM 0 HD21 ASN B 2 11.096 -10.667 -5.583 1.00 0.00 H new ATOM 0 HD22 ASN B 2 10.495 -11.482 -7.031 1.00 0.00 H new ATOM 1738 N ASP B 3 7.968 -7.317 -7.595 1.00 0.00 N ATOM 1739 CA ASP B 3 7.347 -5.962 -7.633 1.00 0.00 C ATOM 1740 C ASP B 3 5.843 -6.082 -7.400 1.00 0.00 C ATOM 1741 O ASP B 3 5.060 -5.353 -7.969 1.00 0.00 O ATOM 1742 CB ASP B 3 7.605 -5.316 -8.996 1.00 0.00 C ATOM 1743 CG ASP B 3 9.021 -5.656 -9.463 1.00 0.00 C ATOM 1744 OD1 ASP B 3 9.203 -6.735 -10.004 1.00 0.00 O ATOM 1745 OD2 ASP B 3 9.901 -4.832 -9.273 1.00 0.00 O ATOM 0 H ASP B 3 8.638 -7.465 -6.841 1.00 0.00 H new ATOM 0 HA ASP B 3 7.786 -5.342 -6.851 1.00 0.00 H new ATOM 0 HB2 ASP B 3 6.876 -5.673 -9.723 1.00 0.00 H new ATOM 0 HB3 ASP B 3 7.483 -4.235 -8.927 1.00 0.00 H new HETATM 1750 N PTR B 4 5.447 -6.995 -6.555 1.00 0.00 N HETATM 1751 CA PTR B 4 3.991 -7.182 -6.257 1.00 0.00 C HETATM 1752 C PTR B 4 3.825 -8.293 -5.209 1.00 0.00 C HETATM 1753 O PTR B 4 4.565 -9.256 -5.193 1.00 0.00 O HETATM 1754 CB PTR B 4 3.245 -7.582 -7.535 1.00 0.00 C HETATM 1755 CG PTR B 4 2.653 -6.354 -8.191 1.00 0.00 C HETATM 1756 CD1 PTR B 4 1.993 -5.392 -7.418 1.00 0.00 C HETATM 1757 CD2 PTR B 4 2.773 -6.176 -9.573 1.00 0.00 C HETATM 1758 CE1 PTR B 4 1.455 -4.251 -8.030 1.00 0.00 C HETATM 1759 CE2 PTR B 4 2.235 -5.037 -10.184 1.00 0.00 C HETATM 1760 CZ PTR B 4 1.575 -4.075 -9.412 1.00 0.00 C HETATM 1761 OH PTR B 4 1.022 -2.903 -10.042 1.00 0.00 O HETATM 1762 P PTR B 4 1.934 -1.993 -11.040 1.00 0.00 P HETATM 1763 O1P PTR B 4 1.713 -0.552 -10.606 1.00 0.00 O HETATM 1764 O2P PTR B 4 3.366 -2.458 -10.835 1.00 0.00 O HETATM 1765 O3P PTR B 4 1.417 -2.272 -12.443 1.00 0.00 O HETATM 0 HE2 PTR B 4 2.330 -4.900 -11.261 1.00 0.00 H new HETATM 0 HE1 PTR B 4 0.943 -3.500 -7.428 1.00 0.00 H new HETATM 0 HD2 PTR B 4 3.286 -6.925 -10.175 1.00 0.00 H new HETATM 0 HD1 PTR B 4 1.897 -5.530 -6.341 1.00 0.00 H new HETATM 0 HB3 PTR B 4 3.927 -8.080 -8.224 1.00 0.00 H new HETATM 0 HB2 PTR B 4 2.455 -8.295 -7.298 1.00 0.00 H new HETATM 0 HA PTR B 4 3.580 -6.247 -5.876 1.00 0.00 H new HETATM 0 H PTR B 4 6.143 -7.570 -6.080 1.00 0.00 H new ATOM 1774 N ILE B 5 2.855 -8.172 -4.337 1.00 0.00 N ATOM 1775 CA ILE B 5 2.638 -9.216 -3.300 1.00 0.00 C ATOM 1776 C ILE B 5 1.184 -9.185 -2.832 1.00 0.00 C ATOM 1777 O ILE B 5 0.437 -8.277 -3.137 1.00 0.00 O ATOM 1778 CB ILE B 5 3.552 -8.956 -2.103 1.00 0.00 C ATOM 1779 CG1 ILE B 5 3.648 -7.458 -1.812 1.00 0.00 C ATOM 1780 CG2 ILE B 5 4.944 -9.486 -2.406 1.00 0.00 C ATOM 1781 CD1 ILE B 5 2.249 -6.873 -1.649 1.00 0.00 C ATOM 0 H ILE B 5 2.203 -7.389 -4.302 1.00 0.00 H new ATOM 0 HA ILE B 5 2.865 -10.192 -3.729 1.00 0.00 H new ATOM 0 HB ILE B 5 3.134 -9.462 -1.233 1.00 0.00 H new ATOM 0 HG12 ILE B 5 4.230 -7.291 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE B 5 4.171 -6.953 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE B 5 5.597 -9.301 -1.553 1.00 0.00 H new ATOM 0 HG22 ILE B 5 4.892 -10.558 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE B 5 5.343 -8.979 -3.285 1.00 0.00 H new ATOM 0 HD11 ILE B 5 2.323 -5.805 -1.442 1.00 0.00 H new ATOM 0 HD12 ILE B 5 1.681 -7.026 -2.567 1.00 0.00 H new ATOM 0 HD13 ILE B 5 1.741 -7.369 -0.822 1.00 0.00 H new ATOM 1793 N ILE B 6 0.782 -10.166 -2.074 1.00 0.00 N ATOM 1794 CA ILE B 6 -0.613 -10.188 -1.561 1.00 0.00 C ATOM 1795 C ILE B 6 -0.572 -9.854 -0.072 1.00 0.00 C ATOM 1796 O ILE B 6 0.273 -10.355 0.644 1.00 0.00 O ATOM 1797 CB ILE B 6 -1.220 -11.578 -1.758 1.00 0.00 C ATOM 1798 CG1 ILE B 6 -1.195 -11.940 -3.245 1.00 0.00 C ATOM 1799 CG2 ILE B 6 -2.665 -11.578 -1.257 1.00 0.00 C ATOM 1800 CD1 ILE B 6 0.111 -12.666 -3.571 1.00 0.00 C ATOM 0 H ILE B 6 1.362 -10.955 -1.788 1.00 0.00 H new ATOM 0 HA ILE B 6 -1.223 -9.463 -2.099 1.00 0.00 H new ATOM 0 HB ILE B 6 -0.641 -12.311 -1.197 1.00 0.00 H new ATOM 0 HG12 ILE B 6 -2.047 -12.574 -3.490 1.00 0.00 H new ATOM 0 HG13 ILE B 6 -1.284 -11.039 -3.851 1.00 0.00 H new ATOM 0 HG21 ILE B 6 -3.099 -12.568 -1.397 1.00 0.00 H new ATOM 0 HG22 ILE B 6 -2.683 -11.320 -0.198 1.00 0.00 H new ATOM 0 HG23 ILE B 6 -3.245 -10.845 -1.818 1.00 0.00 H new ATOM 0 HD11 ILE B 6 0.129 -12.924 -4.630 1.00 0.00 H new ATOM 0 HD12 ILE B 6 0.956 -12.016 -3.341 1.00 0.00 H new ATOM 0 HD13 ILE B 6 0.180 -13.576 -2.975 1.00 0.00 H new ATOM 1812 N PRO B 7 -1.469 -9.008 0.351 1.00 0.00 N ATOM 1813 CA PRO B 7 -1.583 -8.545 1.755 1.00 0.00 C ATOM 1814 C PRO B 7 -2.261 -9.608 2.620 1.00 0.00 C ATOM 1815 O PRO B 7 -3.392 -9.459 3.038 1.00 0.00 O ATOM 1816 CB PRO B 7 -2.423 -7.276 1.706 1.00 0.00 C ATOM 1817 CG PRO B 7 -3.238 -7.357 0.412 1.00 0.00 C ATOM 1818 CD PRO B 7 -2.521 -8.370 -0.492 1.00 0.00 C ATOM 0 HA PRO B 7 -0.604 -8.359 2.196 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -3.077 -7.208 2.575 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -1.790 -6.389 1.713 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -4.260 -7.675 0.617 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -3.298 -6.381 -0.070 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -3.220 -9.115 -0.873 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -2.080 -7.876 -1.357 1.00 0.00 H new ATOM 1826 N LEU B 8 -1.567 -10.674 2.905 1.00 0.00 N ATOM 1827 CA LEU B 8 -2.148 -11.745 3.758 1.00 0.00 C ATOM 1828 C LEU B 8 -1.301 -11.855 5.028 1.00 0.00 C ATOM 1829 O LEU B 8 -0.094 -11.944 4.948 1.00 0.00 O ATOM 1830 CB LEU B 8 -2.117 -13.077 3.004 1.00 0.00 C ATOM 1831 CG LEU B 8 -3.545 -13.514 2.679 1.00 0.00 C ATOM 1832 CD1 LEU B 8 -4.279 -13.861 3.976 1.00 0.00 C ATOM 1833 CD2 LEU B 8 -4.278 -12.372 1.970 1.00 0.00 C ATOM 0 H LEU B 8 -0.616 -10.849 2.581 1.00 0.00 H new ATOM 0 HA LEU B 8 -3.181 -11.507 4.011 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -1.539 -12.973 2.085 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.622 -13.837 3.608 1.00 0.00 H new ATOM 0 HG LEU B 8 -3.519 -14.389 2.030 1.00 0.00 H new ATOM 0 HD11 LEU B 8 -5.298 -14.173 3.745 1.00 0.00 H new ATOM 0 HD12 LEU B 8 -3.757 -14.672 4.483 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -4.306 -12.985 4.624 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -5.297 -12.682 1.738 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -4.304 -11.498 2.620 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.755 -12.122 1.047 1.00 0.00 H new ATOM 1845 N PRO B 9 -1.956 -11.826 6.161 1.00 0.00 N ATOM 1846 CA PRO B 9 -1.322 -11.902 7.505 1.00 0.00 C ATOM 1847 C PRO B 9 -0.970 -13.352 7.858 1.00 0.00 C ATOM 1848 O PRO B 9 -1.500 -13.913 8.798 1.00 0.00 O ATOM 1849 CB PRO B 9 -2.365 -11.356 8.477 1.00 0.00 C ATOM 1850 CG PRO B 9 -3.723 -11.530 7.790 1.00 0.00 C ATOM 1851 CD PRO B 9 -3.435 -11.711 6.293 1.00 0.00 C ATOM 0 HA PRO B 9 -0.392 -11.334 7.543 1.00 0.00 H new ATOM 0 HB2 PRO B 9 -2.336 -11.896 9.423 1.00 0.00 H new ATOM 0 HB3 PRO B 9 -2.175 -10.307 8.703 1.00 0.00 H new ATOM 0 HG2 PRO B 9 -4.252 -12.395 8.190 1.00 0.00 H new ATOM 0 HG3 PRO B 9 -4.358 -10.661 7.960 1.00 0.00 H new ATOM 0 HD2 PRO B 9 -3.930 -12.602 5.907 1.00 0.00 H new ATOM 0 HD3 PRO B 9 -3.812 -10.864 5.720 1.00 0.00 H new ATOM 1859 N ASP B 10 -0.070 -13.952 7.121 1.00 0.00 N ATOM 1860 CA ASP B 10 0.334 -15.358 7.409 1.00 0.00 C ATOM 1861 C ASP B 10 1.093 -15.922 6.207 1.00 0.00 C ATOM 1862 O ASP B 10 0.957 -15.433 5.102 1.00 0.00 O ATOM 1863 CB ASP B 10 -0.907 -16.216 7.670 1.00 0.00 C ATOM 1864 CG ASP B 10 -0.979 -16.575 9.155 1.00 0.00 C ATOM 1865 OD1 ASP B 10 0.064 -16.830 9.734 1.00 0.00 O ATOM 1866 OD2 ASP B 10 -2.077 -16.587 9.689 1.00 0.00 O ATOM 0 H ASP B 10 0.405 -13.523 6.327 1.00 0.00 H new ATOM 0 HA ASP B 10 0.973 -15.373 8.292 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -1.805 -15.675 7.372 1.00 0.00 H new ATOM 0 HB3 ASP B 10 -0.867 -17.124 7.068 1.00 0.00 H new ATOM 1871 N PRO B 11 1.873 -16.936 6.464 1.00 0.00 N ATOM 1872 CA PRO B 11 2.704 -17.642 5.456 1.00 0.00 C ATOM 1873 C PRO B 11 1.844 -18.630 4.661 1.00 0.00 C ATOM 1874 O PRO B 11 1.976 -19.830 4.796 1.00 0.00 O ATOM 1875 CB PRO B 11 3.771 -18.387 6.254 1.00 0.00 C ATOM 1876 CG PRO B 11 3.199 -18.568 7.664 1.00 0.00 C ATOM 1877 CD PRO B 11 2.058 -17.551 7.808 1.00 0.00 C ATOM 0 HA PRO B 11 3.147 -16.951 4.739 1.00 0.00 H new ATOM 0 HB2 PRO B 11 3.996 -19.351 5.798 1.00 0.00 H new ATOM 0 HB3 PRO B 11 4.703 -17.822 6.281 1.00 0.00 H new ATOM 0 HG2 PRO B 11 2.832 -19.585 7.806 1.00 0.00 H new ATOM 0 HG3 PRO B 11 3.967 -18.398 8.419 1.00 0.00 H new ATOM 0 HD2 PRO B 11 1.142 -18.039 8.142 1.00 0.00 H new ATOM 0 HD3 PRO B 11 2.304 -16.793 8.552 1.00 0.00 H new ATOM 1885 N LYS B 12 0.965 -18.133 3.835 1.00 0.00 N ATOM 1886 CA LYS B 12 0.098 -19.044 3.034 1.00 0.00 C ATOM 1887 C LYS B 12 -0.830 -18.212 2.147 1.00 0.00 C ATOM 1888 O LYS B 12 -0.471 -17.976 1.004 1.00 0.00 O ATOM 1889 CB LYS B 12 -0.740 -19.909 3.977 1.00 0.00 C ATOM 1890 CG LYS B 12 -1.503 -19.009 4.950 1.00 0.00 C ATOM 1891 CD LYS B 12 -2.998 -19.323 4.871 1.00 0.00 C ATOM 1892 CE LYS B 12 -3.511 -19.721 6.255 1.00 0.00 C ATOM 1893 NZ LYS B 12 -4.551 -18.748 6.698 1.00 0.00 N ATOM 1894 OXT LYS B 12 -1.883 -17.824 2.624 1.00 0.00 O ATOM 0 H LYS B 12 0.809 -17.137 3.680 1.00 0.00 H new ATOM 0 HA LYS B 12 0.721 -19.685 2.410 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -1.439 -20.519 3.404 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -0.096 -20.595 4.528 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -1.141 -19.165 5.966 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -1.327 -17.961 4.707 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -3.544 -18.453 4.506 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -3.173 -20.131 4.161 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -3.929 -20.727 6.224 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -2.687 -19.739 6.969 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -4.901 -19.018 7.640 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -4.138 -17.795 6.742 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -5.341 -18.752 6.021 1.00 0.00 H new TER 1908 LYS B 12