USER MOD reduce.3.24.130724 H: found=0, std=0, add=689, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 687 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 CYS SG : rot -140:sc= -2.07 USER MOD Set 1.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.3: A 88 MET CE :methyl 155:sc= 0 (180deg=0) USER MOD Set 2.1: A 40 MET CE :methyl -113:sc= -2.46 (180deg=-5.15!) USER MOD Set 2.2: A 41 TYR OH : rot 30:sc= -0.425 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot -57:sc= 0.00406 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 56:sc= 0.362 USER MOD Single : A 8 GLN : amide:sc= -0.929! C(o=-0.93!,f=-4.1!) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -0.0395 X(o=-0.039,f=-0.24) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 26:sc= 0.49 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 50:sc= 0.792 USER MOD Single : A 32 HIS : no HD1:sc= -0.0141 X(o=-0.014,f=-0.014) USER MOD Single : A 36 GLN : amide:sc= -0.348 K(o=-0.35,f=-1.7!) USER MOD Single : A 43 TYR OH : rot -109:sc= 0.337 USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 ASN :FLIP amide:sc= -1.06 F(o=-3.2!,f=-1.1) USER MOD Single : A 52 SER OG : rot 180:sc= -0.154 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0.101 K(o=0.1,f=-4.5!) USER MOD Single : A 60 ASN : amide:sc= -4.28 K(o=-4.3,f=-18!) USER MOD Single : A 62 MET CE :methyl 146:sc= -0.557 (180deg=-3.68!) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-1.5) USER MOD Single : A 75 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -160:sc= 0.324 USER MOD Single : A 84 ASN : amide:sc= -0.0434 K(o=-0.043,f=-0.64) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.047) USER MOD Single : A 89 THR OG1 : rot -66:sc= 1.24 USER MOD Single : A 90 THR OG1 : rot 73:sc= 0.863 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot -88:sc= 0.191 USER MOD Single : A 96 SER OG : rot 42:sc= 0.663 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.744 28.055 12.795 1.00 0.00 N ATOM 2 CA GLY A 1 -9.625 26.904 12.712 1.00 0.00 C ATOM 3 C GLY A 1 -8.900 25.599 12.977 1.00 0.00 C ATOM 4 O GLY A 1 -8.772 25.176 14.126 1.00 0.00 O ATOM 0 H1 GLY A 1 -9.287 28.922 12.606 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.329 28.107 13.747 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.984 27.962 12.091 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.436 27.018 13.431 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -10.080 26.869 11.722 1.00 0.00 H new ATOM 8 N SER A 2 -8.427 24.960 11.913 1.00 0.00 N ATOM 9 CA SER A 2 -7.716 23.693 12.036 1.00 0.00 C ATOM 10 C SER A 2 -6.212 23.895 11.876 1.00 0.00 C ATOM 11 O SER A 2 -5.416 23.339 12.633 1.00 0.00 O ATOM 12 CB SER A 2 -8.221 22.696 10.990 1.00 0.00 C ATOM 13 OG SER A 2 -9.627 22.535 11.078 1.00 0.00 O ATOM 0 H SER A 2 -8.523 25.299 10.956 1.00 0.00 H new ATOM 0 HA SER A 2 -7.908 23.294 13.032 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.953 23.043 9.992 1.00 0.00 H new ATOM 0 HB3 SER A 2 -7.731 21.733 11.134 1.00 0.00 H new ATOM 0 HG SER A 2 -9.926 21.895 10.399 1.00 0.00 H new ATOM 19 N SER A 3 -5.831 24.696 10.886 1.00 0.00 N ATOM 20 CA SER A 3 -4.423 24.970 10.624 1.00 0.00 C ATOM 21 C SER A 3 -3.682 23.691 10.246 1.00 0.00 C ATOM 22 O SER A 3 -2.562 23.453 10.697 1.00 0.00 O ATOM 23 CB SER A 3 -3.769 25.609 11.850 1.00 0.00 C ATOM 24 OG SER A 3 -2.599 26.323 11.490 1.00 0.00 O ATOM 0 H SER A 3 -6.477 25.166 10.252 1.00 0.00 H new ATOM 0 HA SER A 3 -4.363 25.665 9.786 1.00 0.00 H new ATOM 0 HB2 SER A 3 -4.476 26.283 12.333 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.518 24.836 12.577 1.00 0.00 H new ATOM 0 HG SER A 3 -1.975 25.720 11.034 1.00 0.00 H new ATOM 30 N GLY A 4 -4.317 22.870 9.415 1.00 0.00 N ATOM 31 CA GLY A 4 -3.704 21.625 8.990 1.00 0.00 C ATOM 32 C GLY A 4 -2.445 21.847 8.175 1.00 0.00 C ATOM 33 O GLY A 4 -1.891 22.946 8.163 1.00 0.00 O ATOM 0 H GLY A 4 -5.245 23.045 9.029 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.464 21.024 9.867 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -4.420 21.054 8.399 1.00 0.00 H new ATOM 37 N SER A 5 -1.992 20.800 7.493 1.00 0.00 N ATOM 38 CA SER A 5 -0.787 20.885 6.675 1.00 0.00 C ATOM 39 C SER A 5 -1.111 20.642 5.204 1.00 0.00 C ATOM 40 O SER A 5 -1.228 19.498 4.763 1.00 0.00 O ATOM 41 CB SER A 5 0.252 19.870 7.154 1.00 0.00 C ATOM 42 OG SER A 5 1.493 20.060 6.497 1.00 0.00 O ATOM 0 H SER A 5 -2.440 19.884 7.490 1.00 0.00 H new ATOM 0 HA SER A 5 -0.378 21.890 6.778 1.00 0.00 H new ATOM 0 HB2 SER A 5 0.389 19.966 8.231 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.110 18.859 6.968 1.00 0.00 H new ATOM 0 HG SER A 5 2.140 19.400 6.822 1.00 0.00 H new ATOM 48 N SER A 6 -1.255 21.726 4.449 1.00 0.00 N ATOM 49 CA SER A 6 -1.569 21.632 3.028 1.00 0.00 C ATOM 50 C SER A 6 -0.305 21.401 2.206 1.00 0.00 C ATOM 51 O SER A 6 0.304 22.344 1.704 1.00 0.00 O ATOM 52 CB SER A 6 -2.273 22.906 2.555 1.00 0.00 C ATOM 53 OG SER A 6 -1.529 24.060 2.906 1.00 0.00 O ATOM 0 H SER A 6 -1.159 22.680 4.797 1.00 0.00 H new ATOM 0 HA SER A 6 -2.235 20.782 2.884 1.00 0.00 H new ATOM 0 HB2 SER A 6 -2.407 22.871 1.474 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.267 22.962 2.998 1.00 0.00 H new ATOM 0 HG SER A 6 -0.623 23.989 2.540 1.00 0.00 H new ATOM 59 N GLY A 7 0.084 20.136 2.075 1.00 0.00 N ATOM 60 CA GLY A 7 1.273 19.801 1.313 1.00 0.00 C ATOM 61 C GLY A 7 1.048 18.640 0.366 1.00 0.00 C ATOM 62 O GLY A 7 1.481 18.678 -0.786 1.00 0.00 O ATOM 0 H GLY A 7 -0.403 19.338 2.483 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.593 20.673 0.743 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.083 19.554 1.999 1.00 0.00 H new ATOM 66 N GLN A 8 0.370 17.605 0.851 1.00 0.00 N ATOM 67 CA GLN A 8 0.090 16.427 0.039 1.00 0.00 C ATOM 68 C GLN A 8 -0.984 16.726 -1.002 1.00 0.00 C ATOM 69 O GLN A 8 -2.162 16.867 -0.672 1.00 0.00 O ATOM 70 CB GLN A 8 -0.353 15.263 0.926 1.00 0.00 C ATOM 71 CG GLN A 8 0.737 14.760 1.858 1.00 0.00 C ATOM 72 CD GLN A 8 1.230 15.830 2.812 1.00 0.00 C ATOM 73 OE1 GLN A 8 0.439 16.588 3.375 1.00 0.00 O ATOM 74 NE2 GLN A 8 2.543 15.897 2.999 1.00 0.00 N ATOM 0 H GLN A 8 0.004 17.558 1.802 1.00 0.00 H new ATOM 0 HA GLN A 8 1.007 16.149 -0.481 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -1.212 15.576 1.520 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -0.686 14.441 0.293 1.00 0.00 H new ATOM 0 HG2 GLN A 8 0.357 13.914 2.432 1.00 0.00 H new ATOM 0 HG3 GLN A 8 1.575 14.393 1.266 1.00 0.00 H new ATOM 0 HE21 GLN A 8 3.161 15.249 2.512 1.00 0.00 H new ATOM 0 HE22 GLN A 8 2.933 16.597 3.630 1.00 0.00 H new ATOM 83 N LYS A 9 -0.571 16.823 -2.261 1.00 0.00 N ATOM 84 CA LYS A 9 -1.497 17.104 -3.351 1.00 0.00 C ATOM 85 C LYS A 9 -1.514 15.959 -4.360 1.00 0.00 C ATOM 86 O LYS A 9 -0.472 15.556 -4.874 1.00 0.00 O ATOM 87 CB LYS A 9 -1.111 18.409 -4.052 1.00 0.00 C ATOM 88 CG LYS A 9 -2.197 18.955 -4.961 1.00 0.00 C ATOM 89 CD LYS A 9 -1.834 20.328 -5.502 1.00 0.00 C ATOM 90 CE LYS A 9 -2.448 20.568 -6.873 1.00 0.00 C ATOM 91 NZ LYS A 9 -1.593 20.027 -7.966 1.00 0.00 N ATOM 0 H LYS A 9 0.400 16.711 -2.552 1.00 0.00 H new ATOM 0 HA LYS A 9 -2.496 17.207 -2.928 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.869 19.158 -3.299 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -0.207 18.243 -4.639 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.358 18.267 -5.791 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -3.136 19.016 -4.411 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.178 21.096 -4.809 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.750 20.420 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -3.432 20.101 -6.917 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.595 21.638 -7.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.046 20.210 -8.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -0.662 20.490 -7.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -1.473 19.002 -7.838 1.00 0.00 H new ATOM 105 N GLY A 10 -2.706 15.440 -4.638 1.00 0.00 N ATOM 106 CA GLY A 10 -2.836 14.348 -5.585 1.00 0.00 C ATOM 107 C GLY A 10 -3.658 13.199 -5.035 1.00 0.00 C ATOM 108 O GLY A 10 -4.539 12.675 -5.716 1.00 0.00 O ATOM 0 H GLY A 10 -3.583 15.756 -4.225 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.300 14.717 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.844 13.985 -5.855 1.00 0.00 H new ATOM 112 N TRP A 11 -3.368 12.805 -3.800 1.00 0.00 N ATOM 113 CA TRP A 11 -4.086 11.708 -3.160 1.00 0.00 C ATOM 114 C TRP A 11 -5.409 12.191 -2.576 1.00 0.00 C ATOM 115 O TRP A 11 -5.476 13.257 -1.963 1.00 0.00 O ATOM 116 CB TRP A 11 -3.227 11.083 -2.059 1.00 0.00 C ATOM 117 CG TRP A 11 -3.805 9.818 -1.502 1.00 0.00 C ATOM 118 CD1 TRP A 11 -4.695 9.707 -0.472 1.00 0.00 C ATOM 119 CD2 TRP A 11 -3.530 8.483 -1.942 1.00 0.00 C ATOM 120 NE1 TRP A 11 -4.991 8.384 -0.246 1.00 0.00 N ATOM 121 CE2 TRP A 11 -4.289 7.614 -1.135 1.00 0.00 C ATOM 122 CE3 TRP A 11 -2.718 7.939 -2.941 1.00 0.00 C ATOM 123 CZ2 TRP A 11 -4.258 6.231 -1.297 1.00 0.00 C ATOM 124 CZ3 TRP A 11 -2.688 6.566 -3.100 1.00 0.00 C ATOM 125 CH2 TRP A 11 -3.455 5.725 -2.282 1.00 0.00 C ATOM 0 H TRP A 11 -2.642 13.228 -3.222 1.00 0.00 H new ATOM 0 HA TRP A 11 -4.298 10.954 -3.918 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -2.233 10.876 -2.457 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -3.103 11.804 -1.251 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.106 10.537 0.083 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -5.630 8.033 0.468 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -2.125 8.579 -3.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -4.847 5.581 -0.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -2.063 6.134 -3.868 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -3.411 4.656 -2.432 1.00 0.00 H new ATOM 136 N PHE A 12 -6.460 11.401 -2.770 1.00 0.00 N ATOM 137 CA PHE A 12 -7.782 11.750 -2.263 1.00 0.00 C ATOM 138 C PHE A 12 -8.362 10.611 -1.429 1.00 0.00 C ATOM 139 O PHE A 12 -8.898 9.634 -1.952 1.00 0.00 O ATOM 140 CB PHE A 12 -8.725 12.079 -3.422 1.00 0.00 C ATOM 141 CG PHE A 12 -8.175 13.106 -4.370 1.00 0.00 C ATOM 142 CD1 PHE A 12 -8.146 14.446 -4.020 1.00 0.00 C ATOM 143 CD2 PHE A 12 -7.685 12.730 -5.611 1.00 0.00 C ATOM 144 CE1 PHE A 12 -7.641 15.393 -4.891 1.00 0.00 C ATOM 145 CE2 PHE A 12 -7.178 13.673 -6.486 1.00 0.00 C ATOM 146 CZ PHE A 12 -7.155 15.006 -6.125 1.00 0.00 C ATOM 0 H PHE A 12 -6.422 10.515 -3.274 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.680 12.629 -1.626 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.941 11.165 -3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.672 12.439 -3.019 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -8.522 14.754 -3.056 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.699 11.689 -5.898 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -7.626 16.435 -4.607 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.800 13.368 -7.451 1.00 0.00 H new ATOM 0 HZ PHE A 12 -6.758 15.744 -6.806 1.00 0.00 H new ATOM 156 N PRO A 13 -8.252 10.739 -0.098 1.00 0.00 N ATOM 157 CA PRO A 13 -8.759 9.731 0.838 1.00 0.00 C ATOM 158 C PRO A 13 -10.283 9.684 0.870 1.00 0.00 C ATOM 159 O PRO A 13 -10.951 10.421 0.145 1.00 0.00 O ATOM 160 CB PRO A 13 -8.210 10.195 2.190 1.00 0.00 C ATOM 161 CG PRO A 13 -8.008 11.663 2.033 1.00 0.00 C ATOM 162 CD PRO A 13 -7.625 11.877 0.595 1.00 0.00 C ATOM 0 HA PRO A 13 -8.449 8.724 0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -8.909 9.976 2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.275 9.690 2.432 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.917 12.211 2.280 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -7.227 12.023 2.703 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -7.995 12.830 0.218 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -6.543 11.881 0.464 1.00 0.00 H new ATOM 170 N ALA A 14 -10.825 8.814 1.715 1.00 0.00 N ATOM 171 CA ALA A 14 -12.271 8.673 1.843 1.00 0.00 C ATOM 172 C ALA A 14 -12.882 9.888 2.531 1.00 0.00 C ATOM 173 O ALA A 14 -12.949 9.950 3.759 1.00 0.00 O ATOM 174 CB ALA A 14 -12.611 7.403 2.609 1.00 0.00 C ATOM 0 H ALA A 14 -10.285 8.196 2.321 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.695 8.605 0.841 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.693 7.310 2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.215 6.539 2.075 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.168 7.449 3.604 1.00 0.00 H new ATOM 180 N SER A 15 -13.326 10.854 1.733 1.00 0.00 N ATOM 181 CA SER A 15 -13.928 12.070 2.266 1.00 0.00 C ATOM 182 C SER A 15 -15.220 11.754 3.013 1.00 0.00 C ATOM 183 O SER A 15 -16.187 11.267 2.427 1.00 0.00 O ATOM 184 CB SER A 15 -14.209 13.063 1.136 1.00 0.00 C ATOM 185 OG SER A 15 -14.921 14.191 1.614 1.00 0.00 O ATOM 0 H SER A 15 -13.280 10.818 0.715 1.00 0.00 H new ATOM 0 HA SER A 15 -13.223 12.518 2.967 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.269 13.385 0.689 1.00 0.00 H new ATOM 0 HB3 SER A 15 -14.784 12.572 0.351 1.00 0.00 H new ATOM 0 HG SER A 15 -15.087 14.811 0.873 1.00 0.00 H new ATOM 191 N HIS A 16 -15.229 12.036 4.312 1.00 0.00 N ATOM 192 CA HIS A 16 -16.402 11.783 5.142 1.00 0.00 C ATOM 193 C HIS A 16 -17.389 12.943 5.055 1.00 0.00 C ATOM 194 O HIS A 16 -16.994 14.096 4.881 1.00 0.00 O ATOM 195 CB HIS A 16 -15.986 11.559 6.596 1.00 0.00 C ATOM 196 CG HIS A 16 -16.973 10.756 7.385 1.00 0.00 C ATOM 197 ND1 HIS A 16 -17.461 9.537 6.962 1.00 0.00 N ATOM 198 CD2 HIS A 16 -17.563 11.002 8.578 1.00 0.00 C ATOM 199 CE1 HIS A 16 -18.309 9.070 7.860 1.00 0.00 C ATOM 200 NE2 HIS A 16 -18.389 9.940 8.851 1.00 0.00 N ATOM 0 H HIS A 16 -14.437 12.440 4.813 1.00 0.00 H new ATOM 0 HA HIS A 16 -16.892 10.883 4.770 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -15.021 11.053 6.615 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -15.849 12.526 7.079 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -17.412 11.872 9.200 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -18.846 8.135 7.795 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -18.970 9.839 9.683 1.00 0.00 H new ATOM 209 N VAL A 17 -18.675 12.630 5.177 1.00 0.00 N ATOM 210 CA VAL A 17 -19.719 13.646 5.113 1.00 0.00 C ATOM 211 C VAL A 17 -20.241 13.986 6.504 1.00 0.00 C ATOM 212 O VAL A 17 -20.782 13.129 7.203 1.00 0.00 O ATOM 213 CB VAL A 17 -20.896 13.186 4.233 1.00 0.00 C ATOM 214 CG1 VAL A 17 -21.993 14.240 4.215 1.00 0.00 C ATOM 215 CG2 VAL A 17 -20.418 12.878 2.822 1.00 0.00 C ATOM 0 H VAL A 17 -19.019 11.681 5.321 1.00 0.00 H new ATOM 0 HA VAL A 17 -19.269 14.535 4.670 1.00 0.00 H new ATOM 0 HB VAL A 17 -21.310 12.272 4.659 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -22.816 13.898 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -22.354 14.406 5.230 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -21.595 15.172 3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -21.263 12.554 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -19.977 13.773 2.384 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -19.671 12.085 2.856 1.00 0.00 H new ATOM 225 N LYS A 18 -20.075 15.243 6.902 1.00 0.00 N ATOM 226 CA LYS A 18 -20.530 15.699 8.209 1.00 0.00 C ATOM 227 C LYS A 18 -22.048 15.855 8.233 1.00 0.00 C ATOM 228 O LYS A 18 -22.582 16.887 7.827 1.00 0.00 O ATOM 229 CB LYS A 18 -19.865 17.030 8.568 1.00 0.00 C ATOM 230 CG LYS A 18 -18.397 16.896 8.936 1.00 0.00 C ATOM 231 CD LYS A 18 -17.503 17.024 7.714 1.00 0.00 C ATOM 232 CE LYS A 18 -16.034 16.880 8.081 1.00 0.00 C ATOM 233 NZ LYS A 18 -15.145 17.528 7.077 1.00 0.00 N ATOM 0 H LYS A 18 -19.628 15.965 6.337 1.00 0.00 H new ATOM 0 HA LYS A 18 -20.247 14.948 8.946 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -19.959 17.713 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -20.401 17.481 9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -18.132 17.663 9.664 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -18.227 15.931 9.413 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.773 16.262 6.983 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -17.668 17.992 7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -15.859 17.324 9.061 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.782 15.823 8.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.152 17.408 7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.293 17.087 6.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.368 18.542 7.019 1.00 0.00 H new ATOM 247 N LEU A 19 -22.736 14.825 8.712 1.00 0.00 N ATOM 248 CA LEU A 19 -24.192 14.848 8.790 1.00 0.00 C ATOM 249 C LEU A 19 -24.660 15.671 9.986 1.00 0.00 C ATOM 250 O LEU A 19 -24.137 15.533 11.092 1.00 0.00 O ATOM 251 CB LEU A 19 -24.740 13.423 8.892 1.00 0.00 C ATOM 252 CG LEU A 19 -26.239 13.298 9.167 1.00 0.00 C ATOM 253 CD1 LEU A 19 -27.040 13.618 7.915 1.00 0.00 C ATOM 254 CD2 LEU A 19 -26.573 11.903 9.675 1.00 0.00 C ATOM 0 H LEU A 19 -22.309 13.963 9.052 1.00 0.00 H new ATOM 0 HA LEU A 19 -24.572 15.313 7.880 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -24.517 12.902 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -24.201 12.904 9.685 1.00 0.00 H new ATOM 0 HG LEU A 19 -26.509 14.018 9.939 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -28.104 13.524 8.130 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -26.823 14.637 7.595 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -26.767 12.923 7.121 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -27.644 11.832 9.866 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -26.288 11.165 8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -26.027 11.712 10.599 1.00 0.00 H new ATOM 266 N LEU A 20 -25.651 16.526 9.757 1.00 0.00 N ATOM 267 CA LEU A 20 -26.192 17.371 10.816 1.00 0.00 C ATOM 268 C LEU A 20 -26.906 16.532 11.871 1.00 0.00 C ATOM 269 O LEU A 20 -27.193 15.356 11.653 1.00 0.00 O ATOM 270 CB LEU A 20 -27.158 18.402 10.229 1.00 0.00 C ATOM 271 CG LEU A 20 -28.565 17.898 9.909 1.00 0.00 C ATOM 272 CD1 LEU A 20 -29.426 17.886 11.163 1.00 0.00 C ATOM 273 CD2 LEU A 20 -29.207 18.756 8.828 1.00 0.00 C ATOM 0 H LEU A 20 -26.096 16.652 8.848 1.00 0.00 H new ATOM 0 HA LEU A 20 -25.361 17.890 11.293 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -27.242 19.232 10.930 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -26.720 18.801 9.314 1.00 0.00 H new ATOM 0 HG LEU A 20 -28.487 16.877 9.536 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -30.424 17.524 10.916 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -28.976 17.229 11.907 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -29.496 18.896 11.566 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -30.208 18.382 8.613 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -29.271 19.788 9.173 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -28.602 18.713 7.922 1.00 0.00 H new ATOM 285 N GLY A 21 -27.192 17.147 13.015 1.00 0.00 N ATOM 286 CA GLY A 21 -27.872 16.442 14.086 1.00 0.00 C ATOM 287 C GLY A 21 -27.289 16.758 15.449 1.00 0.00 C ATOM 288 O GLY A 21 -27.616 17.770 16.068 1.00 0.00 O ATOM 0 H GLY A 21 -26.965 18.120 13.219 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -28.930 16.706 14.076 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -27.810 15.369 13.907 1.00 0.00 H new ATOM 292 N PRO A 22 -26.405 15.876 15.938 1.00 0.00 N ATOM 293 CA PRO A 22 -25.757 16.043 17.242 1.00 0.00 C ATOM 294 C PRO A 22 -24.760 17.197 17.250 1.00 0.00 C ATOM 295 O PRO A 22 -24.085 17.439 18.251 1.00 0.00 O ATOM 296 CB PRO A 22 -25.036 14.710 17.454 1.00 0.00 C ATOM 297 CG PRO A 22 -24.800 14.185 16.080 1.00 0.00 C ATOM 298 CD PRO A 22 -25.968 14.647 15.254 1.00 0.00 C ATOM 0 HA PRO A 22 -26.475 16.283 18.026 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -24.098 14.848 17.992 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -25.642 14.021 18.042 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -23.861 14.562 15.674 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -24.731 13.097 16.084 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -25.678 14.843 14.222 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -26.761 13.899 15.226 1.00 0.00 H new ATOM 306 N SER A 23 -24.672 17.905 16.129 1.00 0.00 N ATOM 307 CA SER A 23 -23.754 19.031 16.007 1.00 0.00 C ATOM 308 C SER A 23 -22.361 18.653 16.502 1.00 0.00 C ATOM 309 O SER A 23 -21.679 19.454 17.141 1.00 0.00 O ATOM 310 CB SER A 23 -24.279 20.233 16.795 1.00 0.00 C ATOM 311 OG SER A 23 -24.483 19.900 18.157 1.00 0.00 O ATOM 0 H SER A 23 -25.225 17.719 15.292 1.00 0.00 H new ATOM 0 HA SER A 23 -23.686 19.299 14.953 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.570 21.058 16.721 1.00 0.00 H new ATOM 0 HB3 SER A 23 -25.216 20.578 16.357 1.00 0.00 H new ATOM 0 HG SER A 23 -23.888 19.162 18.406 1.00 0.00 H new ATOM 317 N SER A 24 -21.946 17.427 16.201 1.00 0.00 N ATOM 318 CA SER A 24 -20.636 16.939 16.619 1.00 0.00 C ATOM 319 C SER A 24 -20.258 15.675 15.853 1.00 0.00 C ATOM 320 O SER A 24 -21.096 14.804 15.620 1.00 0.00 O ATOM 321 CB SER A 24 -20.628 16.660 18.123 1.00 0.00 C ATOM 322 OG SER A 24 -21.325 15.464 18.423 1.00 0.00 O ATOM 0 H SER A 24 -22.497 16.753 15.669 1.00 0.00 H new ATOM 0 HA SER A 24 -19.900 17.711 16.397 1.00 0.00 H new ATOM 0 HB2 SER A 24 -19.600 16.584 18.476 1.00 0.00 H new ATOM 0 HB3 SER A 24 -21.086 17.495 18.653 1.00 0.00 H new ATOM 0 HG SER A 24 -21.304 15.307 19.390 1.00 0.00 H new ATOM 328 N GLU A 25 -18.990 15.583 15.465 1.00 0.00 N ATOM 329 CA GLU A 25 -18.501 14.426 14.725 1.00 0.00 C ATOM 330 C GLU A 25 -18.111 13.297 15.675 1.00 0.00 C ATOM 331 O GLU A 25 -17.782 13.536 16.837 1.00 0.00 O ATOM 332 CB GLU A 25 -17.301 14.816 13.860 1.00 0.00 C ATOM 333 CG GLU A 25 -16.054 15.149 14.662 1.00 0.00 C ATOM 334 CD GLU A 25 -16.021 16.595 15.116 1.00 0.00 C ATOM 335 OE1 GLU A 25 -16.510 17.464 14.363 1.00 0.00 O ATOM 336 OE2 GLU A 25 -15.505 16.859 16.222 1.00 0.00 O ATOM 0 H GLU A 25 -18.284 16.295 15.651 1.00 0.00 H new ATOM 0 HA GLU A 25 -19.306 14.073 14.080 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -17.075 13.997 13.177 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -17.570 15.677 13.248 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -16.003 14.497 15.534 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -15.171 14.942 14.057 1.00 0.00 H new ATOM 343 N ARG A 26 -18.151 12.068 15.172 1.00 0.00 N ATOM 344 CA ARG A 26 -17.805 10.902 15.976 1.00 0.00 C ATOM 345 C ARG A 26 -16.395 10.418 15.651 1.00 0.00 C ATOM 346 O ARG A 26 -15.939 10.522 14.513 1.00 0.00 O ATOM 347 CB ARG A 26 -18.810 9.774 15.737 1.00 0.00 C ATOM 348 CG ARG A 26 -20.202 10.077 16.268 1.00 0.00 C ATOM 349 CD ARG A 26 -21.264 9.271 15.537 1.00 0.00 C ATOM 350 NE ARG A 26 -21.556 9.820 14.215 1.00 0.00 N ATOM 351 CZ ARG A 26 -22.299 10.903 14.017 1.00 0.00 C ATOM 352 NH1 ARG A 26 -22.824 11.549 15.050 1.00 0.00 N ATOM 353 NH2 ARG A 26 -22.520 11.342 12.785 1.00 0.00 N ATOM 0 H ARG A 26 -18.419 11.854 14.212 1.00 0.00 H new ATOM 0 HA ARG A 26 -17.839 11.193 17.026 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -18.873 9.576 14.667 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -18.441 8.863 16.209 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -20.243 9.853 17.334 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -20.411 11.141 16.158 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -20.929 8.239 15.435 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -22.178 9.252 16.131 1.00 0.00 H new ATOM 0 HE ARG A 26 -21.168 9.346 13.400 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -22.657 11.214 15.999 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -23.394 12.380 14.895 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -22.119 10.848 11.988 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -23.091 12.174 12.635 1.00 0.00 H new ATOM 367 N ALA A 27 -15.709 9.889 16.660 1.00 0.00 N ATOM 368 CA ALA A 27 -14.352 9.388 16.481 1.00 0.00 C ATOM 369 C ALA A 27 -14.321 7.864 16.515 1.00 0.00 C ATOM 370 O ALA A 27 -14.452 7.252 17.576 1.00 0.00 O ATOM 371 CB ALA A 27 -13.433 9.960 17.550 1.00 0.00 C ATOM 0 H ALA A 27 -16.071 9.797 17.609 1.00 0.00 H new ATOM 0 HA ALA A 27 -13.998 9.711 15.502 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -12.423 9.577 17.404 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -13.423 11.048 17.477 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -13.794 9.665 18.536 1.00 0.00 H new ATOM 377 N THR A 28 -14.148 7.254 15.346 1.00 0.00 N ATOM 378 CA THR A 28 -14.102 5.801 15.242 1.00 0.00 C ATOM 379 C THR A 28 -12.730 5.326 14.777 1.00 0.00 C ATOM 380 O THR A 28 -12.453 5.226 13.581 1.00 0.00 O ATOM 381 CB THR A 28 -15.172 5.273 14.268 1.00 0.00 C ATOM 382 OG1 THR A 28 -14.984 5.853 12.972 1.00 0.00 O ATOM 383 CG2 THR A 28 -16.570 5.594 14.774 1.00 0.00 C ATOM 0 H THR A 28 -14.037 7.744 14.458 1.00 0.00 H new ATOM 0 HA THR A 28 -14.302 5.407 16.238 1.00 0.00 H new ATOM 0 HB THR A 28 -15.067 4.190 14.200 1.00 0.00 H new ATOM 0 HG1 THR A 28 -14.049 5.748 12.699 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.309 5.211 14.070 1.00 0.00 H new ATOM 0 HG22 THR A 28 -16.721 5.127 15.747 1.00 0.00 H new ATOM 0 HG23 THR A 28 -16.684 6.674 14.868 1.00 0.00 H new ATOM 391 N PRO A 29 -11.848 5.026 15.742 1.00 0.00 N ATOM 392 CA PRO A 29 -10.490 4.556 15.455 1.00 0.00 C ATOM 393 C PRO A 29 -10.476 3.148 14.869 1.00 0.00 C ATOM 394 O PRO A 29 -9.416 2.607 14.555 1.00 0.00 O ATOM 395 CB PRO A 29 -9.812 4.570 16.828 1.00 0.00 C ATOM 396 CG PRO A 29 -10.929 4.424 17.803 1.00 0.00 C ATOM 397 CD PRO A 29 -12.110 5.122 17.188 1.00 0.00 C ATOM 0 HA PRO A 29 -9.992 5.179 14.712 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -9.094 3.755 16.923 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -9.264 5.498 16.990 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -11.150 3.373 17.988 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -10.669 4.869 18.763 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -13.049 4.639 17.459 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -12.179 6.159 17.516 1.00 0.00 H new ATOM 405 N ALA A 30 -11.659 2.561 14.723 1.00 0.00 N ATOM 406 CA ALA A 30 -11.782 1.217 14.172 1.00 0.00 C ATOM 407 C ALA A 30 -11.769 1.246 12.647 1.00 0.00 C ATOM 408 O ALA A 30 -12.820 1.315 12.009 1.00 0.00 O ATOM 409 CB ALA A 30 -13.054 0.553 14.678 1.00 0.00 C ATOM 0 H ALA A 30 -12.546 2.995 14.979 1.00 0.00 H new ATOM 0 HA ALA A 30 -10.924 0.634 14.506 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -13.133 -0.450 14.258 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -13.024 0.490 15.766 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -13.918 1.143 14.373 1.00 0.00 H new ATOM 415 N PHE A 31 -10.574 1.194 12.069 1.00 0.00 N ATOM 416 CA PHE A 31 -10.425 1.216 10.619 1.00 0.00 C ATOM 417 C PHE A 31 -10.410 -0.201 10.052 1.00 0.00 C ATOM 418 O PHE A 31 -10.100 -1.161 10.758 1.00 0.00 O ATOM 419 CB PHE A 31 -9.138 1.947 10.228 1.00 0.00 C ATOM 420 CG PHE A 31 -7.889 1.206 10.610 1.00 0.00 C ATOM 421 CD1 PHE A 31 -7.327 1.371 11.866 1.00 0.00 C ATOM 422 CD2 PHE A 31 -7.276 0.345 9.714 1.00 0.00 C ATOM 423 CE1 PHE A 31 -6.176 0.692 12.220 1.00 0.00 C ATOM 424 CE2 PHE A 31 -6.126 -0.337 10.063 1.00 0.00 C ATOM 425 CZ PHE A 31 -5.576 -0.164 11.317 1.00 0.00 C ATOM 0 H PHE A 31 -9.695 1.136 12.583 1.00 0.00 H new ATOM 0 HA PHE A 31 -11.279 1.748 10.199 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -9.137 2.114 9.151 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -9.128 2.928 10.702 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.793 2.038 12.576 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -7.702 0.205 8.731 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -5.747 0.831 13.201 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -5.658 -1.005 9.355 1.00 0.00 H new ATOM 0 HZ PHE A 31 -4.678 -0.697 11.592 1.00 0.00 H new ATOM 435 N HIS A 32 -10.748 -0.324 8.772 1.00 0.00 N ATOM 436 CA HIS A 32 -10.774 -1.623 8.109 1.00 0.00 C ATOM 437 C HIS A 32 -10.088 -1.552 6.748 1.00 0.00 C ATOM 438 O HIS A 32 -10.548 -0.876 5.828 1.00 0.00 O ATOM 439 CB HIS A 32 -12.215 -2.105 7.943 1.00 0.00 C ATOM 440 CG HIS A 32 -12.970 -2.194 9.233 1.00 0.00 C ATOM 441 ND1 HIS A 32 -13.007 -3.334 10.007 1.00 0.00 N ATOM 442 CD2 HIS A 32 -13.719 -1.274 9.886 1.00 0.00 C ATOM 443 CE1 HIS A 32 -13.747 -3.113 11.079 1.00 0.00 C ATOM 444 NE2 HIS A 32 -14.190 -1.870 11.029 1.00 0.00 N ATOM 0 H HIS A 32 -11.008 0.460 8.173 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.231 -2.333 8.733 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -12.741 -1.427 7.270 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -12.209 -3.086 7.467 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -13.910 -0.260 9.567 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.954 -3.827 11.862 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -14.786 -1.425 11.727 1.00 0.00 H new ATOM 453 N PRO A 33 -8.960 -2.266 6.616 1.00 0.00 N ATOM 454 CA PRO A 33 -8.187 -2.300 5.371 1.00 0.00 C ATOM 455 C PRO A 33 -8.910 -3.053 4.260 1.00 0.00 C ATOM 456 O PRO A 33 -9.957 -3.661 4.487 1.00 0.00 O ATOM 457 CB PRO A 33 -6.905 -3.037 5.769 1.00 0.00 C ATOM 458 CG PRO A 33 -7.298 -3.875 6.937 1.00 0.00 C ATOM 459 CD PRO A 33 -8.353 -3.095 7.671 1.00 0.00 C ATOM 0 HA PRO A 33 -8.014 -1.301 4.972 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -6.530 -3.650 4.950 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -6.112 -2.338 6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -7.683 -4.841 6.612 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -6.441 -4.073 7.581 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -9.087 -3.752 8.138 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -7.922 -2.484 8.464 1.00 0.00 H new ATOM 467 N VAL A 34 -8.346 -3.010 3.057 1.00 0.00 N ATOM 468 CA VAL A 34 -8.936 -3.689 1.910 1.00 0.00 C ATOM 469 C VAL A 34 -8.263 -5.034 1.661 1.00 0.00 C ATOM 470 O VAL A 34 -8.887 -5.969 1.158 1.00 0.00 O ATOM 471 CB VAL A 34 -8.832 -2.832 0.635 1.00 0.00 C ATOM 472 CG1 VAL A 34 -7.395 -2.782 0.140 1.00 0.00 C ATOM 473 CG2 VAL A 34 -9.758 -3.370 -0.446 1.00 0.00 C ATOM 0 H VAL A 34 -7.480 -2.511 2.852 1.00 0.00 H new ATOM 0 HA VAL A 34 -9.988 -3.850 2.145 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.144 -1.816 0.876 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.342 -2.172 -0.762 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -6.760 -2.346 0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.052 -3.792 -0.085 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.671 -2.752 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -9.480 -4.396 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -10.787 -3.348 -0.088 1.00 0.00 H new ATOM 483 N CYS A 35 -6.986 -5.125 2.018 1.00 0.00 N ATOM 484 CA CYS A 35 -6.226 -6.356 1.833 1.00 0.00 C ATOM 485 C CYS A 35 -4.859 -6.257 2.502 1.00 0.00 C ATOM 486 O CYS A 35 -4.520 -5.232 3.093 1.00 0.00 O ATOM 487 CB CYS A 35 -6.058 -6.658 0.343 1.00 0.00 C ATOM 488 SG CYS A 35 -4.986 -5.492 -0.529 1.00 0.00 S ATOM 0 H CYS A 35 -6.456 -4.361 2.437 1.00 0.00 H new ATOM 0 HA CYS A 35 -6.781 -7.170 2.300 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.652 -7.663 0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -7.040 -6.656 -0.130 1.00 0.00 H new ATOM 0 HG CYS A 35 -5.487 -5.235 -1.701 1.00 0.00 H new ATOM 494 N GLN A 36 -4.080 -7.329 2.405 1.00 0.00 N ATOM 495 CA GLN A 36 -2.751 -7.363 3.003 1.00 0.00 C ATOM 496 C GLN A 36 -1.693 -7.712 1.961 1.00 0.00 C ATOM 497 O GLN A 36 -1.747 -8.772 1.338 1.00 0.00 O ATOM 498 CB GLN A 36 -2.709 -8.377 4.148 1.00 0.00 C ATOM 499 CG GLN A 36 -1.584 -8.129 5.140 1.00 0.00 C ATOM 500 CD GLN A 36 -1.103 -9.403 5.807 1.00 0.00 C ATOM 501 OE1 GLN A 36 -1.673 -10.476 5.607 1.00 0.00 O ATOM 502 NE2 GLN A 36 -0.047 -9.291 6.605 1.00 0.00 N ATOM 0 H GLN A 36 -4.346 -8.185 1.918 1.00 0.00 H new ATOM 0 HA GLN A 36 -2.533 -6.370 3.397 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -3.661 -8.354 4.678 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -2.601 -9.378 3.731 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -0.748 -7.655 4.625 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -1.925 -7.430 5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 36 0.394 -8.382 6.742 1.00 0.00 H new ATOM 0 HE22 GLN A 36 0.322 -10.114 7.081 1.00 0.00 H new ATOM 511 N VAL A 37 -0.733 -6.812 1.776 1.00 0.00 N ATOM 512 CA VAL A 37 0.338 -7.024 0.809 1.00 0.00 C ATOM 513 C VAL A 37 1.699 -7.061 1.495 1.00 0.00 C ATOM 514 O VAL A 37 1.805 -6.818 2.698 1.00 0.00 O ATOM 515 CB VAL A 37 0.348 -5.923 -0.268 1.00 0.00 C ATOM 516 CG1 VAL A 37 -0.999 -5.852 -0.972 1.00 0.00 C ATOM 517 CG2 VAL A 37 0.709 -4.579 0.347 1.00 0.00 C ATOM 0 H VAL A 37 -0.675 -5.929 2.283 1.00 0.00 H new ATOM 0 HA VAL A 37 0.148 -7.986 0.333 1.00 0.00 H new ATOM 0 HB VAL A 37 1.106 -6.172 -1.010 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.973 -5.069 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.212 -6.809 -1.447 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -1.779 -5.627 -0.244 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.711 -3.813 -0.428 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.024 -4.320 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 37 1.699 -4.640 0.800 1.00 0.00 H new ATOM 527 N ILE A 38 2.736 -7.365 0.723 1.00 0.00 N ATOM 528 CA ILE A 38 4.091 -7.432 1.256 1.00 0.00 C ATOM 529 C ILE A 38 5.067 -6.659 0.376 1.00 0.00 C ATOM 530 O ILE A 38 4.926 -6.629 -0.846 1.00 0.00 O ATOM 531 CB ILE A 38 4.575 -8.888 1.384 1.00 0.00 C ATOM 532 CG1 ILE A 38 5.704 -8.985 2.412 1.00 0.00 C ATOM 533 CG2 ILE A 38 5.035 -9.414 0.033 1.00 0.00 C ATOM 534 CD1 ILE A 38 6.003 -10.403 2.849 1.00 0.00 C ATOM 0 H ILE A 38 2.664 -7.569 -0.274 1.00 0.00 H new ATOM 0 HA ILE A 38 4.062 -6.979 2.247 1.00 0.00 H new ATOM 0 HB ILE A 38 3.743 -9.503 1.727 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.608 -8.545 1.990 1.00 0.00 H new ATOM 0 HG13 ILE A 38 5.440 -8.392 3.287 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.374 -10.444 0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 38 4.206 -9.376 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.855 -8.799 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 38 6.813 -10.396 3.578 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.112 -10.840 3.301 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.299 -10.996 1.983 1.00 0.00 H new ATOM 546 N ALA A 39 6.059 -6.037 1.005 1.00 0.00 N ATOM 547 CA ALA A 39 7.061 -5.267 0.279 1.00 0.00 C ATOM 548 C ALA A 39 7.943 -6.177 -0.570 1.00 0.00 C ATOM 549 O ALA A 39 8.461 -7.183 -0.085 1.00 0.00 O ATOM 550 CB ALA A 39 7.912 -4.460 1.249 1.00 0.00 C ATOM 0 H ALA A 39 6.190 -6.052 2.016 1.00 0.00 H new ATOM 0 HA ALA A 39 6.542 -4.580 -0.389 1.00 0.00 H new ATOM 0 HB1 ALA A 39 8.656 -3.890 0.693 1.00 0.00 H new ATOM 0 HB2 ALA A 39 7.275 -3.776 1.809 1.00 0.00 H new ATOM 0 HB3 ALA A 39 8.415 -5.136 1.941 1.00 0.00 H new ATOM 556 N MET A 40 8.108 -5.818 -1.839 1.00 0.00 N ATOM 557 CA MET A 40 8.927 -6.602 -2.755 1.00 0.00 C ATOM 558 C MET A 40 10.385 -6.157 -2.697 1.00 0.00 C ATOM 559 O MET A 40 11.298 -6.961 -2.888 1.00 0.00 O ATOM 560 CB MET A 40 8.398 -6.473 -4.184 1.00 0.00 C ATOM 561 CG MET A 40 7.085 -7.203 -4.415 1.00 0.00 C ATOM 562 SD MET A 40 6.779 -7.548 -6.158 1.00 0.00 S ATOM 563 CE MET A 40 6.914 -5.904 -6.857 1.00 0.00 C ATOM 0 H MET A 40 7.685 -4.989 -2.256 1.00 0.00 H new ATOM 0 HA MET A 40 8.872 -7.647 -2.449 1.00 0.00 H new ATOM 0 HB2 MET A 40 8.263 -5.417 -4.419 1.00 0.00 H new ATOM 0 HB3 MET A 40 9.146 -6.860 -4.876 1.00 0.00 H new ATOM 0 HG2 MET A 40 7.092 -8.141 -3.859 1.00 0.00 H new ATOM 0 HG3 MET A 40 6.266 -6.603 -4.018 1.00 0.00 H new ATOM 0 HE1 MET A 40 5.940 -5.585 -7.228 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.255 -5.209 -6.090 1.00 0.00 H new ATOM 0 HE3 MET A 40 7.629 -5.916 -7.679 1.00 0.00 H new ATOM 573 N TYR A 41 10.596 -4.872 -2.433 1.00 0.00 N ATOM 574 CA TYR A 41 11.943 -4.320 -2.353 1.00 0.00 C ATOM 575 C TYR A 41 12.072 -3.365 -1.170 1.00 0.00 C ATOM 576 O TYR A 41 11.095 -2.744 -0.751 1.00 0.00 O ATOM 577 CB TYR A 41 12.296 -3.592 -3.651 1.00 0.00 C ATOM 578 CG TYR A 41 11.660 -4.201 -4.880 1.00 0.00 C ATOM 579 CD1 TYR A 41 12.252 -5.274 -5.534 1.00 0.00 C ATOM 580 CD2 TYR A 41 10.465 -3.704 -5.386 1.00 0.00 C ATOM 581 CE1 TYR A 41 11.674 -5.833 -6.657 1.00 0.00 C ATOM 582 CE2 TYR A 41 9.879 -4.258 -6.508 1.00 0.00 C ATOM 583 CZ TYR A 41 10.487 -5.322 -7.140 1.00 0.00 C ATOM 584 OH TYR A 41 9.908 -5.877 -8.258 1.00 0.00 O ATOM 0 H TYR A 41 9.852 -4.194 -2.271 1.00 0.00 H new ATOM 0 HA TYR A 41 12.638 -5.146 -2.207 1.00 0.00 H new ATOM 0 HB2 TYR A 41 11.985 -2.551 -3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 41 13.379 -3.592 -3.775 1.00 0.00 H new ATOM 0 HD1 TYR A 41 13.180 -5.678 -5.158 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.986 -2.870 -4.894 1.00 0.00 H new ATOM 0 HE1 TYR A 41 12.149 -6.666 -7.154 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.950 -3.860 -6.888 1.00 0.00 H new ATOM 0 HH TYR A 41 10.136 -6.829 -8.306 1.00 0.00 H new ATOM 594 N ASP A 42 13.283 -3.253 -0.638 1.00 0.00 N ATOM 595 CA ASP A 42 13.542 -2.373 0.496 1.00 0.00 C ATOM 596 C ASP A 42 13.211 -0.925 0.147 1.00 0.00 C ATOM 597 O ASP A 42 14.012 -0.228 -0.478 1.00 0.00 O ATOM 598 CB ASP A 42 15.004 -2.484 0.932 1.00 0.00 C ATOM 599 CG ASP A 42 15.494 -3.918 0.954 1.00 0.00 C ATOM 600 OD1 ASP A 42 15.864 -4.436 -0.121 1.00 0.00 O ATOM 601 OD2 ASP A 42 15.509 -4.524 2.046 1.00 0.00 O ATOM 0 H ASP A 42 14.102 -3.761 -0.973 1.00 0.00 H new ATOM 0 HA ASP A 42 12.901 -2.685 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 42 15.627 -1.900 0.255 1.00 0.00 H new ATOM 0 HB3 ASP A 42 15.118 -2.049 1.925 1.00 0.00 H new ATOM 606 N TYR A 43 12.027 -0.480 0.552 1.00 0.00 N ATOM 607 CA TYR A 43 11.589 0.883 0.279 1.00 0.00 C ATOM 608 C TYR A 43 12.037 1.832 1.386 1.00 0.00 C ATOM 609 O TYR A 43 11.950 1.507 2.570 1.00 0.00 O ATOM 610 CB TYR A 43 10.067 0.933 0.135 1.00 0.00 C ATOM 611 CG TYR A 43 9.567 2.162 -0.590 1.00 0.00 C ATOM 612 CD1 TYR A 43 9.718 3.428 -0.037 1.00 0.00 C ATOM 613 CD2 TYR A 43 8.943 2.058 -1.827 1.00 0.00 C ATOM 614 CE1 TYR A 43 9.262 4.554 -0.695 1.00 0.00 C ATOM 615 CE2 TYR A 43 8.485 3.179 -2.493 1.00 0.00 C ATOM 616 CZ TYR A 43 8.647 4.424 -1.923 1.00 0.00 C ATOM 617 OH TYR A 43 8.191 5.543 -2.582 1.00 0.00 O ATOM 0 H TYR A 43 11.353 -1.044 1.071 1.00 0.00 H new ATOM 0 HA TYR A 43 12.047 1.203 -0.657 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.732 0.044 -0.400 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.615 0.897 1.126 1.00 0.00 H new ATOM 0 HD1 TYR A 43 10.200 3.533 0.924 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.814 1.084 -2.276 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.386 5.530 -0.251 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.003 3.080 -3.454 1.00 0.00 H new ATOM 0 HH TYR A 43 7.211 5.556 -2.566 1.00 0.00 H new ATOM 627 N ALA A 44 12.517 3.007 0.992 1.00 0.00 N ATOM 628 CA ALA A 44 12.977 4.005 1.950 1.00 0.00 C ATOM 629 C ALA A 44 12.300 5.349 1.709 1.00 0.00 C ATOM 630 O ALA A 44 12.582 6.030 0.724 1.00 0.00 O ATOM 631 CB ALA A 44 14.490 4.152 1.873 1.00 0.00 C ATOM 0 H ALA A 44 12.597 3.291 0.016 1.00 0.00 H new ATOM 0 HA ALA A 44 12.706 3.666 2.950 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.820 4.900 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 44 14.961 3.196 2.102 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.774 4.465 0.869 1.00 0.00 H new ATOM 637 N ALA A 45 11.404 5.726 2.616 1.00 0.00 N ATOM 638 CA ALA A 45 10.687 6.990 2.503 1.00 0.00 C ATOM 639 C ALA A 45 11.627 8.174 2.701 1.00 0.00 C ATOM 640 O ALA A 45 12.143 8.392 3.797 1.00 0.00 O ATOM 641 CB ALA A 45 9.548 7.043 3.510 1.00 0.00 C ATOM 0 H ALA A 45 11.158 5.174 3.437 1.00 0.00 H new ATOM 0 HA ALA A 45 10.271 7.055 1.498 1.00 0.00 H new ATOM 0 HB1 ALA A 45 9.021 7.993 3.414 1.00 0.00 H new ATOM 0 HB2 ALA A 45 8.855 6.223 3.319 1.00 0.00 H new ATOM 0 HB3 ALA A 45 9.950 6.951 4.519 1.00 0.00 H new ATOM 647 N ASN A 46 11.846 8.936 1.634 1.00 0.00 N ATOM 648 CA ASN A 46 12.726 10.097 1.692 1.00 0.00 C ATOM 649 C ASN A 46 12.282 11.062 2.787 1.00 0.00 C ATOM 650 O ASN A 46 13.057 11.904 3.239 1.00 0.00 O ATOM 651 CB ASN A 46 12.746 10.816 0.341 1.00 0.00 C ATOM 652 CG ASN A 46 13.773 10.231 -0.609 1.00 0.00 C ATOM 653 OD1 ASN A 46 14.921 10.673 -0.648 1.00 0.00 O ATOM 654 ND2 ASN A 46 13.362 9.233 -1.382 1.00 0.00 N ATOM 0 H ASN A 46 11.426 8.770 0.719 1.00 0.00 H new ATOM 0 HA ASN A 46 13.732 9.748 1.926 1.00 0.00 H new ATOM 0 HB2 ASN A 46 11.758 10.756 -0.114 1.00 0.00 H new ATOM 0 HB3 ASN A 46 12.961 11.873 0.498 1.00 0.00 H new ATOM 0 HD21 ASN A 46 14.008 8.800 -2.042 1.00 0.00 H new ATOM 0 HD22 ASN A 46 12.401 8.899 -1.315 1.00 0.00 H new ATOM 661 N ASN A 47 11.029 10.933 3.210 1.00 0.00 N ATOM 662 CA ASN A 47 10.481 11.793 4.253 1.00 0.00 C ATOM 663 C ASN A 47 9.301 11.120 4.949 1.00 0.00 C ATOM 664 O ASN A 47 8.939 9.990 4.624 1.00 0.00 O ATOM 665 CB ASN A 47 10.041 13.132 3.659 1.00 0.00 C ATOM 666 CG ASN A 47 9.595 13.006 2.215 1.00 0.00 C ATOM 667 OD1 ASN A 47 8.365 12.548 2.014 1.00 0.00 O flip ATOM 668 ND2 ASN A 47 10.347 13.316 1.291 1.00 0.00 N flip ATOM 0 H ASN A 47 10.374 10.241 2.847 1.00 0.00 H new ATOM 0 HA ASN A 47 11.263 11.970 4.992 1.00 0.00 H new ATOM 0 HB2 ASN A 47 9.224 13.539 4.254 1.00 0.00 H new ATOM 0 HB3 ASN A 47 10.866 13.842 3.721 1.00 0.00 H new ATOM 0 HD21 ASN A 47 11.285 13.664 1.491 1.00 0.00 H new ATOM 0 HD22 ASN A 47 10.032 13.225 0.325 1.00 0.00 H new ATOM 675 N GLU A 48 8.707 11.825 5.907 1.00 0.00 N ATOM 676 CA GLU A 48 7.568 11.295 6.648 1.00 0.00 C ATOM 677 C GLU A 48 6.388 11.032 5.718 1.00 0.00 C ATOM 678 O GLU A 48 5.567 10.151 5.973 1.00 0.00 O ATOM 679 CB GLU A 48 7.153 12.269 7.753 1.00 0.00 C ATOM 680 CG GLU A 48 6.489 13.533 7.233 1.00 0.00 C ATOM 681 CD GLU A 48 6.190 14.531 8.334 1.00 0.00 C ATOM 682 OE1 GLU A 48 7.065 15.374 8.624 1.00 0.00 O ATOM 683 OE2 GLU A 48 5.082 14.469 8.907 1.00 0.00 O ATOM 0 H GLU A 48 8.995 12.762 6.188 1.00 0.00 H new ATOM 0 HA GLU A 48 7.869 10.350 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.468 11.763 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.034 12.544 8.333 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.137 14.000 6.491 1.00 0.00 H new ATOM 0 HG3 GLU A 48 5.561 13.269 6.726 1.00 0.00 H new ATOM 690 N ASP A 49 6.310 11.802 4.638 1.00 0.00 N ATOM 691 CA ASP A 49 5.231 11.653 3.669 1.00 0.00 C ATOM 692 C ASP A 49 5.170 10.223 3.139 1.00 0.00 C ATOM 693 O ASP A 49 4.090 9.656 2.981 1.00 0.00 O ATOM 694 CB ASP A 49 5.419 12.632 2.509 1.00 0.00 C ATOM 695 CG ASP A 49 4.131 12.888 1.753 1.00 0.00 C ATOM 696 OD1 ASP A 49 3.052 12.823 2.379 1.00 0.00 O ATOM 697 OD2 ASP A 49 4.201 13.156 0.535 1.00 0.00 O ATOM 0 H ASP A 49 6.981 12.536 4.412 1.00 0.00 H new ATOM 0 HA ASP A 49 4.290 11.875 4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.805 13.576 2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 49 6.168 12.237 1.822 1.00 0.00 H new ATOM 702 N GLU A 50 6.337 9.648 2.867 1.00 0.00 N ATOM 703 CA GLU A 50 6.416 8.286 2.353 1.00 0.00 C ATOM 704 C GLU A 50 6.570 7.283 3.493 1.00 0.00 C ATOM 705 O GLU A 50 6.728 7.664 4.654 1.00 0.00 O ATOM 706 CB GLU A 50 7.587 8.151 1.379 1.00 0.00 C ATOM 707 CG GLU A 50 7.335 8.804 0.030 1.00 0.00 C ATOM 708 CD GLU A 50 8.396 8.453 -0.995 1.00 0.00 C ATOM 709 OE1 GLU A 50 9.518 8.088 -0.586 1.00 0.00 O ATOM 710 OE2 GLU A 50 8.105 8.544 -2.206 1.00 0.00 O ATOM 0 H GLU A 50 7.240 10.104 2.994 1.00 0.00 H new ATOM 0 HA GLU A 50 5.487 8.070 1.824 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.475 8.595 1.828 1.00 0.00 H new ATOM 0 HB3 GLU A 50 7.802 7.093 1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 50 6.359 8.494 -0.343 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.300 9.886 0.155 1.00 0.00 H new ATOM 717 N LEU A 51 6.523 5.999 3.154 1.00 0.00 N ATOM 718 CA LEU A 51 6.656 4.940 4.148 1.00 0.00 C ATOM 719 C LEU A 51 7.969 4.185 3.965 1.00 0.00 C ATOM 720 O LEU A 51 8.270 3.697 2.876 1.00 0.00 O ATOM 721 CB LEU A 51 5.478 3.969 4.049 1.00 0.00 C ATOM 722 CG LEU A 51 5.024 3.329 5.361 1.00 0.00 C ATOM 723 CD1 LEU A 51 3.885 2.353 5.113 1.00 0.00 C ATOM 724 CD2 LEU A 51 6.189 2.629 6.045 1.00 0.00 C ATOM 0 H LEU A 51 6.394 5.666 2.198 1.00 0.00 H new ATOM 0 HA LEU A 51 6.657 5.400 5.136 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.631 4.500 3.615 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.746 3.174 3.354 1.00 0.00 H new ATOM 0 HG LEU A 51 4.662 4.118 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.575 1.907 6.058 1.00 0.00 H new ATOM 0 HD12 LEU A 51 3.042 2.882 4.668 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.219 1.568 4.434 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.847 2.179 6.977 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.582 1.851 5.390 1.00 0.00 H new ATOM 0 HD23 LEU A 51 6.974 3.354 6.259 1.00 0.00 H new ATOM 736 N SER A 52 8.746 4.091 5.040 1.00 0.00 N ATOM 737 CA SER A 52 10.027 3.396 4.998 1.00 0.00 C ATOM 738 C SER A 52 9.888 1.967 5.512 1.00 0.00 C ATOM 739 O SER A 52 9.587 1.743 6.685 1.00 0.00 O ATOM 740 CB SER A 52 11.068 4.150 5.829 1.00 0.00 C ATOM 741 OG SER A 52 11.526 5.304 5.147 1.00 0.00 O ATOM 0 H SER A 52 8.511 4.487 5.950 1.00 0.00 H new ATOM 0 HA SER A 52 10.358 3.359 3.960 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.634 4.438 6.787 1.00 0.00 H new ATOM 0 HB3 SER A 52 11.911 3.493 6.045 1.00 0.00 H new ATOM 0 HG SER A 52 12.189 5.769 5.699 1.00 0.00 H new ATOM 747 N PHE A 53 10.108 1.001 4.626 1.00 0.00 N ATOM 748 CA PHE A 53 10.006 -0.407 4.988 1.00 0.00 C ATOM 749 C PHE A 53 11.056 -1.236 4.254 1.00 0.00 C ATOM 750 O PHE A 53 11.697 -0.757 3.318 1.00 0.00 O ATOM 751 CB PHE A 53 8.607 -0.938 4.668 1.00 0.00 C ATOM 752 CG PHE A 53 8.166 -0.656 3.261 1.00 0.00 C ATOM 753 CD1 PHE A 53 7.576 0.554 2.934 1.00 0.00 C ATOM 754 CD2 PHE A 53 8.342 -1.602 2.263 1.00 0.00 C ATOM 755 CE1 PHE A 53 7.170 0.817 1.640 1.00 0.00 C ATOM 756 CE2 PHE A 53 7.938 -1.345 0.967 1.00 0.00 C ATOM 757 CZ PHE A 53 7.350 -0.135 0.655 1.00 0.00 C ATOM 0 H PHE A 53 10.358 1.168 3.651 1.00 0.00 H new ATOM 0 HA PHE A 53 10.184 -0.494 6.060 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.588 -2.015 4.837 1.00 0.00 H new ATOM 0 HB3 PHE A 53 7.892 -0.494 5.360 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.432 1.301 3.700 1.00 0.00 H new ATOM 0 HD2 PHE A 53 8.800 -2.551 2.501 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.713 1.765 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.082 -2.090 0.198 1.00 0.00 H new ATOM 0 HZ PHE A 53 7.031 0.067 -0.357 1.00 0.00 H new ATOM 767 N SER A 54 11.228 -2.481 4.686 1.00 0.00 N ATOM 768 CA SER A 54 12.203 -3.375 4.074 1.00 0.00 C ATOM 769 C SER A 54 11.514 -4.581 3.443 1.00 0.00 C ATOM 770 O SER A 54 10.441 -4.997 3.880 1.00 0.00 O ATOM 771 CB SER A 54 13.222 -3.843 5.115 1.00 0.00 C ATOM 772 OG SER A 54 14.063 -2.777 5.520 1.00 0.00 O ATOM 0 H SER A 54 10.704 -2.893 5.458 1.00 0.00 H new ATOM 0 HA SER A 54 12.722 -2.824 3.290 1.00 0.00 H new ATOM 0 HB2 SER A 54 12.701 -4.249 5.982 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.826 -4.650 4.700 1.00 0.00 H new ATOM 0 HG SER A 54 14.704 -3.101 6.187 1.00 0.00 H new ATOM 778 N LYS A 55 12.137 -5.137 2.410 1.00 0.00 N ATOM 779 CA LYS A 55 11.587 -6.296 1.717 1.00 0.00 C ATOM 780 C LYS A 55 11.018 -7.304 2.710 1.00 0.00 C ATOM 781 O LYS A 55 11.712 -7.752 3.622 1.00 0.00 O ATOM 782 CB LYS A 55 12.665 -6.962 0.858 1.00 0.00 C ATOM 783 CG LYS A 55 12.241 -8.302 0.282 1.00 0.00 C ATOM 784 CD LYS A 55 13.346 -8.923 -0.556 1.00 0.00 C ATOM 785 CE LYS A 55 12.783 -9.855 -1.618 1.00 0.00 C ATOM 786 NZ LYS A 55 13.859 -10.598 -2.331 1.00 0.00 N ATOM 0 H LYS A 55 13.024 -4.803 2.034 1.00 0.00 H new ATOM 0 HA LYS A 55 10.779 -5.952 1.072 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.931 -6.292 0.040 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.563 -7.102 1.460 1.00 0.00 H new ATOM 0 HG2 LYS A 55 11.974 -8.979 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 55 11.349 -8.170 -0.330 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.928 -8.135 -1.034 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.027 -9.476 0.091 1.00 0.00 H new ATOM 0 HE2 LYS A 55 12.099 -10.565 -1.153 1.00 0.00 H new ATOM 0 HE3 LYS A 55 12.203 -9.277 -2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.434 -11.222 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.498 -9.922 -2.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 14.397 -11.169 -1.649 1.00 0.00 H new ATOM 800 N GLY A 56 9.750 -7.659 2.525 1.00 0.00 N ATOM 801 CA GLY A 56 9.110 -8.613 3.412 1.00 0.00 C ATOM 802 C GLY A 56 8.544 -7.959 4.657 1.00 0.00 C ATOM 803 O GLY A 56 8.511 -8.568 5.725 1.00 0.00 O ATOM 0 H GLY A 56 9.155 -7.303 1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 56 8.308 -9.121 2.876 1.00 0.00 H new ATOM 0 HA3 GLY A 56 9.833 -9.375 3.703 1.00 0.00 H new ATOM 807 N GLN A 57 8.098 -6.714 4.519 1.00 0.00 N ATOM 808 CA GLN A 57 7.533 -5.976 5.642 1.00 0.00 C ATOM 809 C GLN A 57 6.029 -6.207 5.744 1.00 0.00 C ATOM 810 O GLN A 57 5.404 -6.717 4.813 1.00 0.00 O ATOM 811 CB GLN A 57 7.823 -4.481 5.495 1.00 0.00 C ATOM 812 CG GLN A 57 7.504 -3.675 6.744 1.00 0.00 C ATOM 813 CD GLN A 57 8.208 -4.205 7.977 1.00 0.00 C ATOM 814 OE1 GLN A 57 7.659 -5.023 8.716 1.00 0.00 O ATOM 815 NE2 GLN A 57 9.431 -3.740 8.207 1.00 0.00 N ATOM 0 H GLN A 57 8.117 -6.196 3.641 1.00 0.00 H new ATOM 0 HA GLN A 57 8.001 -6.341 6.556 1.00 0.00 H new ATOM 0 HB2 GLN A 57 8.875 -4.346 5.244 1.00 0.00 H new ATOM 0 HB3 GLN A 57 7.243 -4.087 4.660 1.00 0.00 H new ATOM 0 HG2 GLN A 57 7.792 -2.636 6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 57 6.427 -3.685 6.913 1.00 0.00 H new ATOM 0 HE21 GLN A 57 9.848 -3.063 7.568 1.00 0.00 H new ATOM 0 HE22 GLN A 57 9.953 -4.060 9.022 1.00 0.00 H new ATOM 824 N LEU A 58 5.453 -5.829 6.880 1.00 0.00 N ATOM 825 CA LEU A 58 4.022 -5.995 7.104 1.00 0.00 C ATOM 826 C LEU A 58 3.250 -4.768 6.629 1.00 0.00 C ATOM 827 O LEU A 58 3.225 -3.739 7.305 1.00 0.00 O ATOM 828 CB LEU A 58 3.743 -6.244 8.587 1.00 0.00 C ATOM 829 CG LEU A 58 2.364 -5.817 9.092 1.00 0.00 C ATOM 830 CD1 LEU A 58 1.268 -6.441 8.244 1.00 0.00 C ATOM 831 CD2 LEU A 58 2.191 -6.197 10.555 1.00 0.00 C ATOM 0 H LEU A 58 5.955 -5.405 7.660 1.00 0.00 H new ATOM 0 HA LEU A 58 3.687 -6.858 6.528 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.867 -7.309 8.786 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.500 -5.721 9.171 1.00 0.00 H new ATOM 0 HG LEU A 58 2.287 -4.733 9.007 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.294 -6.126 8.619 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.381 -6.118 7.209 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.342 -7.527 8.295 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.204 -5.886 10.898 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.289 -7.277 10.664 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.956 -5.701 11.153 1.00 0.00 H new ATOM 843 N ILE A 59 2.621 -4.885 5.464 1.00 0.00 N ATOM 844 CA ILE A 59 1.847 -3.786 4.901 1.00 0.00 C ATOM 845 C ILE A 59 0.420 -4.224 4.588 1.00 0.00 C ATOM 846 O ILE A 59 0.200 -5.262 3.966 1.00 0.00 O ATOM 847 CB ILE A 59 2.497 -3.239 3.617 1.00 0.00 C ATOM 848 CG1 ILE A 59 3.871 -2.642 3.929 1.00 0.00 C ATOM 849 CG2 ILE A 59 1.596 -2.198 2.969 1.00 0.00 C ATOM 850 CD1 ILE A 59 4.760 -2.502 2.713 1.00 0.00 C ATOM 0 H ILE A 59 2.632 -5.730 4.892 1.00 0.00 H new ATOM 0 HA ILE A 59 1.827 -2.997 5.652 1.00 0.00 H new ATOM 0 HB ILE A 59 2.630 -4.063 2.916 1.00 0.00 H new ATOM 0 HG12 ILE A 59 3.737 -1.661 4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 59 4.372 -3.270 4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.069 -1.821 2.062 1.00 0.00 H new ATOM 0 HG22 ILE A 59 0.638 -2.653 2.716 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.434 -1.374 3.664 1.00 0.00 H new ATOM 0 HD11 ILE A 59 5.717 -2.072 3.009 1.00 0.00 H new ATOM 0 HD12 ILE A 59 4.925 -3.483 2.268 1.00 0.00 H new ATOM 0 HD13 ILE A 59 4.279 -1.849 1.984 1.00 0.00 H new ATOM 862 N ASN A 60 -0.548 -3.423 5.023 1.00 0.00 N ATOM 863 CA ASN A 60 -1.955 -3.726 4.788 1.00 0.00 C ATOM 864 C ASN A 60 -2.635 -2.594 4.024 1.00 0.00 C ATOM 865 O ASN A 60 -2.944 -1.546 4.591 1.00 0.00 O ATOM 866 CB ASN A 60 -2.675 -3.965 6.116 1.00 0.00 C ATOM 867 CG ASN A 60 -2.005 -5.039 6.952 1.00 0.00 C ATOM 868 OD1 ASN A 60 -0.797 -5.254 6.854 1.00 0.00 O ATOM 869 ND2 ASN A 60 -2.789 -5.718 7.781 1.00 0.00 N ATOM 0 H ASN A 60 -0.383 -2.559 5.540 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.010 -4.632 4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.706 -3.034 6.682 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.708 -4.253 5.920 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.395 -6.452 8.370 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.786 -5.506 7.829 1.00 0.00 H new ATOM 876 N VAL A 61 -2.867 -2.814 2.733 1.00 0.00 N ATOM 877 CA VAL A 61 -3.513 -1.814 1.891 1.00 0.00 C ATOM 878 C VAL A 61 -4.891 -1.449 2.431 1.00 0.00 C ATOM 879 O VAL A 61 -5.756 -2.310 2.585 1.00 0.00 O ATOM 880 CB VAL A 61 -3.656 -2.310 0.440 1.00 0.00 C ATOM 881 CG1 VAL A 61 -4.312 -1.246 -0.426 1.00 0.00 C ATOM 882 CG2 VAL A 61 -2.300 -2.706 -0.123 1.00 0.00 C ATOM 0 H VAL A 61 -2.617 -3.676 2.248 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.876 -0.930 1.903 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.297 -3.192 0.437 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -4.405 -1.615 -1.448 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.302 -1.016 -0.032 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.700 -0.344 -0.420 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -2.420 -3.054 -1.149 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.634 -1.843 -0.108 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.873 -3.505 0.484 1.00 0.00 H new ATOM 892 N MET A 62 -5.088 -0.165 2.714 1.00 0.00 N ATOM 893 CA MET A 62 -6.363 0.314 3.235 1.00 0.00 C ATOM 894 C MET A 62 -7.080 1.181 2.204 1.00 0.00 C ATOM 895 O MET A 62 -8.302 1.123 2.073 1.00 0.00 O ATOM 896 CB MET A 62 -6.145 1.110 4.524 1.00 0.00 C ATOM 897 CG MET A 62 -5.414 0.329 5.603 1.00 0.00 C ATOM 898 SD MET A 62 -4.655 1.399 6.841 1.00 0.00 S ATOM 899 CE MET A 62 -6.081 2.318 7.414 1.00 0.00 C ATOM 0 H MET A 62 -4.382 0.561 2.591 1.00 0.00 H new ATOM 0 HA MET A 62 -6.987 -0.553 3.453 1.00 0.00 H new ATOM 0 HB2 MET A 62 -5.579 2.012 4.293 1.00 0.00 H new ATOM 0 HB3 MET A 62 -7.112 1.431 4.911 1.00 0.00 H new ATOM 0 HG2 MET A 62 -6.114 -0.348 6.093 1.00 0.00 H new ATOM 0 HG3 MET A 62 -4.644 -0.288 5.141 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.970 2.537 8.476 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.160 3.252 6.858 1.00 0.00 H new ATOM 0 HE3 MET A 62 -6.982 1.726 7.258 1.00 0.00 H new ATOM 909 N ASN A 63 -6.311 1.983 1.475 1.00 0.00 N ATOM 910 CA ASN A 63 -6.874 2.862 0.456 1.00 0.00 C ATOM 911 C ASN A 63 -6.085 2.761 -0.846 1.00 0.00 C ATOM 912 O ASN A 63 -4.977 3.287 -0.956 1.00 0.00 O ATOM 913 CB ASN A 63 -6.881 4.311 0.950 1.00 0.00 C ATOM 914 CG ASN A 63 -8.164 4.668 1.675 1.00 0.00 C ATOM 915 OD1 ASN A 63 -8.184 4.792 2.900 1.00 0.00 O ATOM 916 ND2 ASN A 63 -9.243 4.835 0.920 1.00 0.00 N ATOM 0 H ASN A 63 -5.297 2.043 1.571 1.00 0.00 H new ATOM 0 HA ASN A 63 -7.899 2.545 0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -6.034 4.469 1.617 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -6.747 4.982 0.101 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -10.135 5.076 1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -9.180 4.722 -0.092 1.00 0.00 H new ATOM 923 N LYS A 64 -6.663 2.081 -1.830 1.00 0.00 N ATOM 924 CA LYS A 64 -6.017 1.911 -3.126 1.00 0.00 C ATOM 925 C LYS A 64 -6.811 2.609 -4.226 1.00 0.00 C ATOM 926 O LYS A 64 -6.905 2.111 -5.347 1.00 0.00 O ATOM 927 CB LYS A 64 -5.869 0.424 -3.454 1.00 0.00 C ATOM 928 CG LYS A 64 -7.194 -0.286 -3.670 1.00 0.00 C ATOM 929 CD LYS A 64 -7.056 -1.439 -4.650 1.00 0.00 C ATOM 930 CE LYS A 64 -6.173 -2.543 -4.090 1.00 0.00 C ATOM 931 NZ LYS A 64 -6.407 -3.843 -4.777 1.00 0.00 N ATOM 0 H LYS A 64 -7.579 1.638 -1.755 1.00 0.00 H new ATOM 0 HA LYS A 64 -5.028 2.365 -3.073 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.259 0.317 -4.351 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -5.331 -0.067 -2.643 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.567 -0.660 -2.717 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.932 0.424 -4.044 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.042 -1.842 -4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.634 -1.074 -5.586 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.126 -2.259 -4.196 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.366 -2.656 -3.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.786 -4.569 -4.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.400 -4.127 -4.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.198 -3.742 -5.791 1.00 0.00 H new ATOM 945 N ASP A 65 -7.379 3.764 -3.897 1.00 0.00 N ATOM 946 CA ASP A 65 -8.163 4.531 -4.858 1.00 0.00 C ATOM 947 C ASP A 65 -7.421 4.661 -6.185 1.00 0.00 C ATOM 948 O ASP A 65 -8.020 4.558 -7.255 1.00 0.00 O ATOM 949 CB ASP A 65 -8.478 5.919 -4.298 1.00 0.00 C ATOM 950 CG ASP A 65 -7.287 6.548 -3.603 1.00 0.00 C ATOM 951 OD1 ASP A 65 -6.200 6.595 -4.216 1.00 0.00 O ATOM 952 OD2 ASP A 65 -7.441 6.992 -2.446 1.00 0.00 O ATOM 0 H ASP A 65 -7.311 4.190 -2.972 1.00 0.00 H new ATOM 0 HA ASP A 65 -9.097 3.998 -5.036 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -8.806 6.569 -5.109 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.307 5.844 -3.595 1.00 0.00 H new ATOM 957 N ASP A 66 -6.114 4.888 -6.106 1.00 0.00 N ATOM 958 CA ASP A 66 -5.290 5.031 -7.301 1.00 0.00 C ATOM 959 C ASP A 66 -4.493 3.758 -7.567 1.00 0.00 C ATOM 960 O ASP A 66 -3.779 3.251 -6.703 1.00 0.00 O ATOM 961 CB ASP A 66 -4.340 6.220 -7.150 1.00 0.00 C ATOM 962 CG ASP A 66 -5.066 7.550 -7.183 1.00 0.00 C ATOM 963 OD1 ASP A 66 -5.286 8.079 -8.293 1.00 0.00 O ATOM 964 OD2 ASP A 66 -5.416 8.062 -6.099 1.00 0.00 O ATOM 0 H ASP A 66 -5.603 4.977 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.951 5.208 -8.150 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.796 6.130 -6.210 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.600 6.194 -7.950 1.00 0.00 H new ATOM 969 N PRO A 67 -4.619 3.227 -8.793 1.00 0.00 N ATOM 970 CA PRO A 67 -3.918 2.006 -9.202 1.00 0.00 C ATOM 971 C PRO A 67 -2.415 2.219 -9.341 1.00 0.00 C ATOM 972 O PRO A 67 -1.683 1.309 -9.731 1.00 0.00 O ATOM 973 CB PRO A 67 -4.540 1.679 -10.562 1.00 0.00 C ATOM 974 CG PRO A 67 -5.027 2.988 -11.080 1.00 0.00 C ATOM 975 CD PRO A 67 -5.453 3.778 -9.874 1.00 0.00 C ATOM 0 HA PRO A 67 -4.025 1.209 -8.466 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -3.808 1.234 -11.236 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.357 0.964 -10.462 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -4.241 3.507 -11.629 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.860 2.849 -11.770 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -5.280 4.845 -10.011 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.515 3.652 -9.666 1.00 0.00 H new ATOM 983 N ASP A 68 -1.961 3.425 -9.019 1.00 0.00 N ATOM 984 CA ASP A 68 -0.543 3.757 -9.106 1.00 0.00 C ATOM 985 C ASP A 68 0.122 3.663 -7.737 1.00 0.00 C ATOM 986 O ASP A 68 1.164 3.026 -7.584 1.00 0.00 O ATOM 987 CB ASP A 68 -0.361 5.162 -9.681 1.00 0.00 C ATOM 988 CG ASP A 68 -1.407 5.501 -10.724 1.00 0.00 C ATOM 989 OD1 ASP A 68 -2.483 6.009 -10.343 1.00 0.00 O ATOM 990 OD2 ASP A 68 -1.150 5.260 -11.922 1.00 0.00 O ATOM 0 H ASP A 68 -2.554 4.189 -8.695 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.066 3.037 -9.771 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.409 5.891 -8.872 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.631 5.244 -10.126 1.00 0.00 H new ATOM 995 N TRP A 69 -0.486 4.303 -6.744 1.00 0.00 N ATOM 996 CA TRP A 69 0.048 4.293 -5.387 1.00 0.00 C ATOM 997 C TRP A 69 -0.990 3.777 -4.397 1.00 0.00 C ATOM 998 O TRP A 69 -2.185 4.029 -4.550 1.00 0.00 O ATOM 999 CB TRP A 69 0.501 5.698 -4.985 1.00 0.00 C ATOM 1000 CG TRP A 69 1.883 6.034 -5.455 1.00 0.00 C ATOM 1001 CD1 TRP A 69 2.297 6.177 -6.749 1.00 0.00 C ATOM 1002 CD2 TRP A 69 3.034 6.267 -4.635 1.00 0.00 C ATOM 1003 NE1 TRP A 69 3.636 6.485 -6.783 1.00 0.00 N ATOM 1004 CE2 TRP A 69 4.111 6.547 -5.499 1.00 0.00 C ATOM 1005 CE3 TRP A 69 3.259 6.269 -3.256 1.00 0.00 C ATOM 1006 CZ2 TRP A 69 5.391 6.823 -5.027 1.00 0.00 C ATOM 1007 CZ3 TRP A 69 4.530 6.543 -2.789 1.00 0.00 C ATOM 1008 CH2 TRP A 69 5.583 6.818 -3.672 1.00 0.00 C ATOM 0 H TRP A 69 -1.349 4.835 -6.853 1.00 0.00 H new ATOM 0 HA TRP A 69 0.907 3.622 -5.366 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -0.200 6.428 -5.390 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.462 5.788 -3.899 1.00 0.00 H new ATOM 0 HD1 TRP A 69 1.665 6.065 -7.618 1.00 0.00 H new ATOM 0 HE1 TRP A 69 4.187 6.642 -7.627 1.00 0.00 H new ATOM 0 HE3 TRP A 69 2.454 6.060 -2.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.204 7.034 -5.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 4.715 6.545 -1.725 1.00 0.00 H new ATOM 0 HH2 TRP A 69 6.565 7.030 -3.275 1.00 0.00 H new ATOM 1019 N TRP A 70 -0.526 3.055 -3.384 1.00 0.00 N ATOM 1020 CA TRP A 70 -1.417 2.504 -2.368 1.00 0.00 C ATOM 1021 C TRP A 70 -1.013 2.976 -0.976 1.00 0.00 C ATOM 1022 O TRP A 70 0.050 3.571 -0.798 1.00 0.00 O ATOM 1023 CB TRP A 70 -1.405 0.975 -2.426 1.00 0.00 C ATOM 1024 CG TRP A 70 -2.072 0.421 -3.648 1.00 0.00 C ATOM 1025 CD1 TRP A 70 -2.931 1.079 -4.482 1.00 0.00 C ATOM 1026 CD2 TRP A 70 -1.936 -0.904 -4.172 1.00 0.00 C ATOM 1027 NE1 TRP A 70 -3.337 0.242 -5.493 1.00 0.00 N ATOM 1028 CE2 TRP A 70 -2.741 -0.980 -5.326 1.00 0.00 C ATOM 1029 CE3 TRP A 70 -1.212 -2.033 -3.780 1.00 0.00 C ATOM 1030 CZ2 TRP A 70 -2.840 -2.141 -6.088 1.00 0.00 C ATOM 1031 CZ3 TRP A 70 -1.313 -3.185 -4.538 1.00 0.00 C ATOM 1032 CH2 TRP A 70 -2.121 -3.232 -5.681 1.00 0.00 C ATOM 0 H TRP A 70 0.461 2.837 -3.244 1.00 0.00 H new ATOM 0 HA TRP A 70 -2.426 2.861 -2.573 1.00 0.00 H new ATOM 0 HB2 TRP A 70 -0.373 0.626 -2.394 1.00 0.00 H new ATOM 0 HB3 TRP A 70 -1.902 0.581 -1.540 1.00 0.00 H new ATOM 0 HD1 TRP A 70 -3.245 2.106 -4.364 1.00 0.00 H new ATOM 0 HE1 TRP A 70 -3.978 0.490 -6.246 1.00 0.00 H new ATOM 0 HE3 TRP A 70 -0.585 -2.006 -2.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 -3.463 -2.179 -6.970 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 -0.759 -4.064 -4.243 1.00 0.00 H new ATOM 0 HH2 TRP A 70 -2.178 -4.147 -6.252 1.00 0.00 H new ATOM 1043 N GLN A 71 -1.866 2.706 0.007 1.00 0.00 N ATOM 1044 CA GLN A 71 -1.596 3.105 1.383 1.00 0.00 C ATOM 1045 C GLN A 71 -1.728 1.916 2.330 1.00 0.00 C ATOM 1046 O GLN A 71 -2.742 1.219 2.330 1.00 0.00 O ATOM 1047 CB GLN A 71 -2.552 4.220 1.810 1.00 0.00 C ATOM 1048 CG GLN A 71 -2.316 4.714 3.228 1.00 0.00 C ATOM 1049 CD GLN A 71 -3.248 5.846 3.615 1.00 0.00 C ATOM 1050 OE1 GLN A 71 -4.298 6.037 3.002 1.00 0.00 O ATOM 1051 NE2 GLN A 71 -2.866 6.604 4.636 1.00 0.00 N ATOM 0 H GLN A 71 -2.749 2.213 -0.124 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.572 3.475 1.433 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -2.450 5.058 1.121 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -3.577 3.860 1.725 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -2.448 3.886 3.924 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -1.283 5.050 3.325 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -1.987 6.409 5.115 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -3.452 7.381 4.941 1.00 0.00 H new ATOM 1060 N GLY A 72 -0.695 1.690 3.136 1.00 0.00 N ATOM 1061 CA GLY A 72 -0.715 0.585 4.076 1.00 0.00 C ATOM 1062 C GLY A 72 -0.166 0.970 5.435 1.00 0.00 C ATOM 1063 O GLY A 72 0.344 2.075 5.615 1.00 0.00 O ATOM 0 H GLY A 72 0.155 2.253 3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.738 0.227 4.189 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.131 -0.242 3.672 1.00 0.00 H new ATOM 1067 N GLU A 73 -0.271 0.056 6.395 1.00 0.00 N ATOM 1068 CA GLU A 73 0.218 0.307 7.745 1.00 0.00 C ATOM 1069 C GLU A 73 1.320 -0.681 8.118 1.00 0.00 C ATOM 1070 O GLU A 73 1.246 -1.864 7.784 1.00 0.00 O ATOM 1071 CB GLU A 73 -0.930 0.212 8.753 1.00 0.00 C ATOM 1072 CG GLU A 73 -1.447 -1.202 8.954 1.00 0.00 C ATOM 1073 CD GLU A 73 -2.320 -1.334 10.186 1.00 0.00 C ATOM 1074 OE1 GLU A 73 -2.188 -0.492 11.099 1.00 0.00 O ATOM 1075 OE2 GLU A 73 -3.135 -2.279 10.239 1.00 0.00 O ATOM 0 H GLU A 73 -0.690 -0.864 6.262 1.00 0.00 H new ATOM 0 HA GLU A 73 0.633 1.314 7.772 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.594 0.607 9.712 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -1.751 0.846 8.417 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -2.017 -1.505 8.075 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -0.602 -1.885 9.037 1.00 0.00 H new ATOM 1082 N ILE A 74 2.340 -0.186 8.811 1.00 0.00 N ATOM 1083 CA ILE A 74 3.457 -1.024 9.229 1.00 0.00 C ATOM 1084 C ILE A 74 3.829 -0.758 10.684 1.00 0.00 C ATOM 1085 O ILE A 74 4.528 0.207 10.989 1.00 0.00 O ATOM 1086 CB ILE A 74 4.695 -0.795 8.344 1.00 0.00 C ATOM 1087 CG1 ILE A 74 4.301 -0.803 6.865 1.00 0.00 C ATOM 1088 CG2 ILE A 74 5.749 -1.857 8.622 1.00 0.00 C ATOM 1089 CD1 ILE A 74 5.445 -0.473 5.933 1.00 0.00 C ATOM 0 H ILE A 74 2.416 0.791 9.095 1.00 0.00 H new ATOM 0 HA ILE A 74 3.132 -2.059 9.123 1.00 0.00 H new ATOM 0 HB ILE A 74 5.118 0.181 8.583 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.906 -1.786 6.608 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.496 -0.085 6.708 1.00 0.00 H new ATOM 0 HG21 ILE A 74 6.618 -1.681 7.988 1.00 0.00 H new ATOM 0 HG22 ILE A 74 6.047 -1.808 9.669 1.00 0.00 H new ATOM 0 HG23 ILE A 74 5.337 -2.843 8.408 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.093 -0.497 4.902 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.826 0.522 6.163 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.242 -1.205 6.062 1.00 0.00 H new ATOM 1101 N ASN A 75 3.359 -1.623 11.577 1.00 0.00 N ATOM 1102 CA ASN A 75 3.644 -1.482 13.001 1.00 0.00 C ATOM 1103 C ASN A 75 3.023 -0.203 13.556 1.00 0.00 C ATOM 1104 O ASN A 75 3.690 0.581 14.230 1.00 0.00 O ATOM 1105 CB ASN A 75 5.155 -1.475 13.241 1.00 0.00 C ATOM 1106 CG ASN A 75 5.708 -2.865 13.486 1.00 0.00 C ATOM 1107 OD1 ASN A 75 5.765 -3.331 14.624 1.00 0.00 O ATOM 1108 ND2 ASN A 75 6.119 -3.535 12.415 1.00 0.00 N ATOM 0 H ASN A 75 2.780 -2.428 11.340 1.00 0.00 H new ATOM 0 HA ASN A 75 3.204 -2.333 13.521 1.00 0.00 H new ATOM 0 HB2 ASN A 75 5.655 -1.035 12.378 1.00 0.00 H new ATOM 0 HB3 ASN A 75 5.381 -0.841 14.098 1.00 0.00 H new ATOM 0 HD21 ASN A 75 6.501 -4.475 12.517 1.00 0.00 H new ATOM 0 HD22 ASN A 75 6.053 -3.109 11.491 1.00 0.00 H new ATOM 1115 N GLY A 76 1.741 0.000 13.266 1.00 0.00 N ATOM 1116 CA GLY A 76 1.052 1.184 13.744 1.00 0.00 C ATOM 1117 C GLY A 76 1.488 2.442 13.019 1.00 0.00 C ATOM 1118 O GLY A 76 1.131 3.551 13.415 1.00 0.00 O ATOM 0 H GLY A 76 1.168 -0.634 12.709 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.023 1.050 13.619 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.236 1.302 14.812 1.00 0.00 H new ATOM 1122 N VAL A 77 2.263 2.269 11.953 1.00 0.00 N ATOM 1123 CA VAL A 77 2.749 3.399 11.170 1.00 0.00 C ATOM 1124 C VAL A 77 2.056 3.467 9.814 1.00 0.00 C ATOM 1125 O VAL A 77 1.817 2.443 9.174 1.00 0.00 O ATOM 1126 CB VAL A 77 4.272 3.318 10.953 1.00 0.00 C ATOM 1127 CG1 VAL A 77 4.589 2.548 9.680 1.00 0.00 C ATOM 1128 CG2 VAL A 77 4.878 4.712 10.907 1.00 0.00 C ATOM 0 H VAL A 77 2.568 1.357 11.612 1.00 0.00 H new ATOM 0 HA VAL A 77 2.518 4.300 11.738 1.00 0.00 H new ATOM 0 HB VAL A 77 4.714 2.782 11.793 1.00 0.00 H new ATOM 0 HG11 VAL A 77 5.669 2.501 9.543 1.00 0.00 H new ATOM 0 HG12 VAL A 77 4.188 1.537 9.757 1.00 0.00 H new ATOM 0 HG13 VAL A 77 4.137 3.054 8.827 1.00 0.00 H new ATOM 0 HG21 VAL A 77 5.954 4.636 10.753 1.00 0.00 H new ATOM 0 HG22 VAL A 77 4.433 5.275 10.087 1.00 0.00 H new ATOM 0 HG23 VAL A 77 4.681 5.225 11.848 1.00 0.00 H new ATOM 1138 N THR A 78 1.735 4.682 9.380 1.00 0.00 N ATOM 1139 CA THR A 78 1.068 4.884 8.100 1.00 0.00 C ATOM 1140 C THR A 78 1.886 5.796 7.192 1.00 0.00 C ATOM 1141 O THR A 78 2.513 6.748 7.655 1.00 0.00 O ATOM 1142 CB THR A 78 -0.336 5.490 8.287 1.00 0.00 C ATOM 1143 OG1 THR A 78 -0.245 6.720 9.015 1.00 0.00 O ATOM 1144 CG2 THR A 78 -1.248 4.524 9.027 1.00 0.00 C ATOM 0 H THR A 78 1.926 5.541 9.896 1.00 0.00 H new ATOM 0 HA THR A 78 0.973 3.903 7.635 1.00 0.00 H new ATOM 0 HB THR A 78 -0.759 5.682 7.301 1.00 0.00 H new ATOM 0 HG1 THR A 78 -1.141 7.100 9.128 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.234 4.974 9.147 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.338 3.599 8.457 1.00 0.00 H new ATOM 0 HG23 THR A 78 -0.827 4.305 10.008 1.00 0.00 H new ATOM 1152 N GLY A 79 1.874 5.499 5.896 1.00 0.00 N ATOM 1153 CA GLY A 79 2.618 6.303 4.944 1.00 0.00 C ATOM 1154 C GLY A 79 2.096 6.156 3.529 1.00 0.00 C ATOM 1155 O GLY A 79 0.944 5.775 3.320 1.00 0.00 O ATOM 0 H GLY A 79 1.362 4.716 5.489 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.567 7.351 5.240 1.00 0.00 H new ATOM 0 HA3 GLY A 79 3.669 6.015 4.972 1.00 0.00 H new ATOM 1159 N LEU A 80 2.945 6.459 2.553 1.00 0.00 N ATOM 1160 CA LEU A 80 2.563 6.360 1.148 1.00 0.00 C ATOM 1161 C LEU A 80 3.612 5.592 0.351 1.00 0.00 C ATOM 1162 O LEU A 80 4.812 5.813 0.510 1.00 0.00 O ATOM 1163 CB LEU A 80 2.374 7.756 0.551 1.00 0.00 C ATOM 1164 CG LEU A 80 1.132 8.520 1.011 1.00 0.00 C ATOM 1165 CD1 LEU A 80 1.181 9.961 0.526 1.00 0.00 C ATOM 1166 CD2 LEU A 80 -0.132 7.832 0.515 1.00 0.00 C ATOM 0 H LEU A 80 3.902 6.775 2.708 1.00 0.00 H new ATOM 0 HA LEU A 80 1.620 5.816 1.091 1.00 0.00 H new ATOM 0 HB2 LEU A 80 3.253 8.354 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.338 7.663 -0.534 1.00 0.00 H new ATOM 0 HG LEU A 80 1.116 8.525 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 80 0.289 10.489 0.863 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.067 10.451 0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.222 9.977 -0.563 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -1.006 8.390 0.852 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.123 7.795 -0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -0.174 6.818 0.912 1.00 0.00 H new ATOM 1178 N PHE A 81 3.150 4.689 -0.508 1.00 0.00 N ATOM 1179 CA PHE A 81 4.048 3.888 -1.332 1.00 0.00 C ATOM 1180 C PHE A 81 3.353 3.435 -2.612 1.00 0.00 C ATOM 1181 O PHE A 81 2.129 3.328 -2.679 1.00 0.00 O ATOM 1182 CB PHE A 81 4.543 2.671 -0.548 1.00 0.00 C ATOM 1183 CG PHE A 81 3.440 1.891 0.108 1.00 0.00 C ATOM 1184 CD1 PHE A 81 2.474 1.256 -0.656 1.00 0.00 C ATOM 1185 CD2 PHE A 81 3.369 1.793 1.488 1.00 0.00 C ATOM 1186 CE1 PHE A 81 1.457 0.537 -0.056 1.00 0.00 C ATOM 1187 CE2 PHE A 81 2.355 1.076 2.094 1.00 0.00 C ATOM 1188 CZ PHE A 81 1.397 0.448 1.321 1.00 0.00 C ATOM 0 H PHE A 81 2.159 4.494 -0.652 1.00 0.00 H new ATOM 0 HA PHE A 81 4.902 4.508 -1.604 1.00 0.00 H new ATOM 0 HB2 PHE A 81 5.091 2.013 -1.222 1.00 0.00 H new ATOM 0 HB3 PHE A 81 5.247 3.002 0.216 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.516 1.324 -1.733 1.00 0.00 H new ATOM 0 HD2 PHE A 81 4.115 2.282 2.097 1.00 0.00 H new ATOM 0 HE1 PHE A 81 0.711 0.046 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.311 1.006 3.171 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.603 -0.111 1.793 1.00 0.00 H new ATOM 1198 N PRO A 82 4.153 3.162 -3.654 1.00 0.00 N ATOM 1199 CA PRO A 82 3.637 2.716 -4.952 1.00 0.00 C ATOM 1200 C PRO A 82 3.067 1.303 -4.894 1.00 0.00 C ATOM 1201 O PRO A 82 3.560 0.454 -4.152 1.00 0.00 O ATOM 1202 CB PRO A 82 4.871 2.758 -5.857 1.00 0.00 C ATOM 1203 CG PRO A 82 6.027 2.599 -4.930 1.00 0.00 C ATOM 1204 CD PRO A 82 5.622 3.268 -3.645 1.00 0.00 C ATOM 0 HA PRO A 82 2.814 3.340 -5.300 1.00 0.00 H new ATOM 0 HB2 PRO A 82 4.845 1.959 -6.598 1.00 0.00 H new ATOM 0 HB3 PRO A 82 4.929 3.699 -6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 82 6.254 1.546 -4.767 1.00 0.00 H new ATOM 0 HG3 PRO A 82 6.925 3.059 -5.343 1.00 0.00 H new ATOM 0 HD2 PRO A 82 6.056 2.769 -2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 82 5.950 4.307 -3.612 1.00 0.00 H new ATOM 1212 N SER A 83 2.024 1.058 -5.682 1.00 0.00 N ATOM 1213 CA SER A 83 1.384 -0.251 -5.718 1.00 0.00 C ATOM 1214 C SER A 83 2.222 -1.244 -6.519 1.00 0.00 C ATOM 1215 O SER A 83 1.795 -2.369 -6.774 1.00 0.00 O ATOM 1216 CB SER A 83 -0.016 -0.142 -6.325 1.00 0.00 C ATOM 1217 OG SER A 83 0.049 0.201 -7.698 1.00 0.00 O ATOM 0 H SER A 83 1.605 1.749 -6.304 1.00 0.00 H new ATOM 0 HA SER A 83 1.301 -0.615 -4.694 1.00 0.00 H new ATOM 0 HB2 SER A 83 -0.541 -1.090 -6.208 1.00 0.00 H new ATOM 0 HB3 SER A 83 -0.592 0.610 -5.786 1.00 0.00 H new ATOM 0 HG SER A 83 -0.811 0.575 -7.983 1.00 0.00 H new ATOM 1223 N ASN A 84 3.418 -0.817 -6.912 1.00 0.00 N ATOM 1224 CA ASN A 84 4.316 -1.667 -7.685 1.00 0.00 C ATOM 1225 C ASN A 84 5.416 -2.244 -6.798 1.00 0.00 C ATOM 1226 O ASN A 84 6.129 -3.165 -7.196 1.00 0.00 O ATOM 1227 CB ASN A 84 4.938 -0.874 -8.836 1.00 0.00 C ATOM 1228 CG ASN A 84 4.016 -0.779 -10.037 1.00 0.00 C ATOM 1229 OD1 ASN A 84 3.390 -1.763 -10.432 1.00 0.00 O ATOM 1230 ND2 ASN A 84 3.929 0.409 -10.624 1.00 0.00 N ATOM 0 H ASN A 84 3.787 0.112 -6.708 1.00 0.00 H new ATOM 0 HA ASN A 84 3.733 -2.492 -8.094 1.00 0.00 H new ATOM 0 HB2 ASN A 84 5.185 0.130 -8.490 1.00 0.00 H new ATOM 0 HB3 ASN A 84 5.873 -1.347 -9.136 1.00 0.00 H new ATOM 0 HD21 ASN A 84 3.325 0.533 -11.436 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.466 1.197 -10.262 1.00 0.00 H new ATOM 1237 N TYR A 85 5.546 -1.697 -5.595 1.00 0.00 N ATOM 1238 CA TYR A 85 6.559 -2.155 -4.652 1.00 0.00 C ATOM 1239 C TYR A 85 5.956 -3.109 -3.625 1.00 0.00 C ATOM 1240 O TYR A 85 6.462 -3.240 -2.510 1.00 0.00 O ATOM 1241 CB TYR A 85 7.202 -0.963 -3.942 1.00 0.00 C ATOM 1242 CG TYR A 85 8.390 -0.388 -4.679 1.00 0.00 C ATOM 1243 CD1 TYR A 85 8.234 0.231 -5.913 1.00 0.00 C ATOM 1244 CD2 TYR A 85 9.669 -0.462 -4.141 1.00 0.00 C ATOM 1245 CE1 TYR A 85 9.316 0.758 -6.590 1.00 0.00 C ATOM 1246 CE2 TYR A 85 10.757 0.063 -4.810 1.00 0.00 C ATOM 1247 CZ TYR A 85 10.576 0.671 -6.035 1.00 0.00 C ATOM 1248 OH TYR A 85 11.657 1.195 -6.706 1.00 0.00 O ATOM 0 H TYR A 85 4.962 -0.935 -5.250 1.00 0.00 H new ATOM 0 HA TYR A 85 7.325 -2.691 -5.213 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.453 -0.182 -3.811 1.00 0.00 H new ATOM 0 HB3 TYR A 85 7.518 -1.272 -2.945 1.00 0.00 H new ATOM 0 HD1 TYR A 85 7.249 0.301 -6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 85 9.815 -0.938 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 85 9.177 1.236 -7.549 1.00 0.00 H new ATOM 0 HE2 TYR A 85 11.744 -0.002 -4.377 1.00 0.00 H new ATOM 0 HH TYR A 85 12.470 1.052 -6.178 1.00 0.00 H new ATOM 1258 N VAL A 86 4.870 -3.772 -4.009 1.00 0.00 N ATOM 1259 CA VAL A 86 4.197 -4.716 -3.124 1.00 0.00 C ATOM 1260 C VAL A 86 3.497 -5.812 -3.919 1.00 0.00 C ATOM 1261 O VAL A 86 3.017 -5.580 -5.029 1.00 0.00 O ATOM 1262 CB VAL A 86 3.164 -4.006 -2.229 1.00 0.00 C ATOM 1263 CG1 VAL A 86 3.835 -2.933 -1.386 1.00 0.00 C ATOM 1264 CG2 VAL A 86 2.047 -3.411 -3.074 1.00 0.00 C ATOM 0 H VAL A 86 4.437 -3.673 -4.927 1.00 0.00 H new ATOM 0 HA VAL A 86 4.966 -5.164 -2.494 1.00 0.00 H new ATOM 0 HB VAL A 86 2.726 -4.742 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 86 3.089 -2.443 -0.760 1.00 0.00 H new ATOM 0 HG12 VAL A 86 4.596 -3.390 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.302 -2.196 -2.039 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.326 -2.913 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.466 -2.688 -3.774 1.00 0.00 H new ATOM 0 HG23 VAL A 86 1.548 -4.205 -3.629 1.00 0.00 H new ATOM 1274 N LYS A 87 3.442 -7.009 -3.344 1.00 0.00 N ATOM 1275 CA LYS A 87 2.800 -8.143 -3.997 1.00 0.00 C ATOM 1276 C LYS A 87 1.722 -8.747 -3.102 1.00 0.00 C ATOM 1277 O LYS A 87 1.966 -9.038 -1.932 1.00 0.00 O ATOM 1278 CB LYS A 87 3.838 -9.209 -4.353 1.00 0.00 C ATOM 1279 CG LYS A 87 3.474 -10.028 -5.579 1.00 0.00 C ATOM 1280 CD LYS A 87 4.259 -11.328 -5.635 1.00 0.00 C ATOM 1281 CE LYS A 87 3.734 -12.250 -6.724 1.00 0.00 C ATOM 1282 NZ LYS A 87 2.436 -12.873 -6.345 1.00 0.00 N ATOM 0 H LYS A 87 3.835 -7.218 -2.426 1.00 0.00 H new ATOM 0 HA LYS A 87 2.329 -7.784 -4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 87 4.800 -8.725 -4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 87 3.964 -9.880 -3.503 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.406 -10.247 -5.567 1.00 0.00 H new ATOM 0 HG3 LYS A 87 3.670 -9.445 -6.479 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.312 -11.111 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.199 -11.832 -4.670 1.00 0.00 H new ATOM 0 HE2 LYS A 87 3.610 -11.686 -7.649 1.00 0.00 H new ATOM 0 HE3 LYS A 87 4.467 -13.031 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 2.187 -13.606 -7.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 2.520 -13.303 -5.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 1.693 -12.145 -6.329 1.00 0.00 H new ATOM 1296 N MET A 88 0.531 -8.933 -3.662 1.00 0.00 N ATOM 1297 CA MET A 88 -0.583 -9.505 -2.914 1.00 0.00 C ATOM 1298 C MET A 88 -0.178 -10.821 -2.257 1.00 0.00 C ATOM 1299 O MET A 88 -0.009 -11.837 -2.932 1.00 0.00 O ATOM 1300 CB MET A 88 -1.783 -9.729 -3.836 1.00 0.00 C ATOM 1301 CG MET A 88 -2.467 -8.442 -4.268 1.00 0.00 C ATOM 1302 SD MET A 88 -4.218 -8.673 -4.627 1.00 0.00 S ATOM 1303 CE MET A 88 -4.907 -7.173 -3.930 1.00 0.00 C ATOM 0 H MET A 88 0.313 -8.696 -4.630 1.00 0.00 H new ATOM 0 HA MET A 88 -0.863 -8.800 -2.131 1.00 0.00 H new ATOM 0 HB2 MET A 88 -1.453 -10.271 -4.723 1.00 0.00 H new ATOM 0 HB3 MET A 88 -2.509 -10.363 -3.327 1.00 0.00 H new ATOM 0 HG2 MET A 88 -2.357 -7.695 -3.482 1.00 0.00 H new ATOM 0 HG3 MET A 88 -1.967 -8.049 -5.153 1.00 0.00 H new ATOM 0 HE1 MET A 88 -5.848 -6.939 -4.428 1.00 0.00 H new ATOM 0 HE2 MET A 88 -5.087 -7.316 -2.864 1.00 0.00 H new ATOM 0 HE3 MET A 88 -4.206 -6.350 -4.073 1.00 0.00 H new ATOM 1313 N THR A 89 -0.024 -10.796 -0.937 1.00 0.00 N ATOM 1314 CA THR A 89 0.362 -11.986 -0.190 1.00 0.00 C ATOM 1315 C THR A 89 -0.526 -13.172 -0.548 1.00 0.00 C ATOM 1316 O THR A 89 -0.037 -14.274 -0.800 1.00 0.00 O ATOM 1317 CB THR A 89 0.288 -11.744 1.329 1.00 0.00 C ATOM 1318 OG1 THR A 89 -1.022 -11.291 1.690 1.00 0.00 O ATOM 1319 CG2 THR A 89 1.323 -10.718 1.765 1.00 0.00 C ATOM 0 H THR A 89 -0.161 -9.964 -0.363 1.00 0.00 H new ATOM 0 HA THR A 89 1.392 -12.211 -0.465 1.00 0.00 H new ATOM 0 HB THR A 89 0.498 -12.686 1.835 1.00 0.00 H new ATOM 0 HG1 THR A 89 -1.185 -10.410 1.292 1.00 0.00 H new ATOM 0 HG21 THR A 89 1.251 -10.564 2.842 1.00 0.00 H new ATOM 0 HG22 THR A 89 2.321 -11.079 1.516 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.140 -9.775 1.250 1.00 0.00 H new ATOM 1327 N THR A 90 -1.835 -12.940 -0.570 1.00 0.00 N ATOM 1328 CA THR A 90 -2.791 -13.990 -0.897 1.00 0.00 C ATOM 1329 C THR A 90 -2.711 -15.138 0.102 1.00 0.00 C ATOM 1330 O THR A 90 -2.813 -16.307 -0.272 1.00 0.00 O ATOM 1331 CB THR A 90 -2.557 -14.542 -2.316 1.00 0.00 C ATOM 1332 OG1 THR A 90 -2.268 -13.467 -3.218 1.00 0.00 O ATOM 1333 CG2 THR A 90 -3.775 -15.308 -2.807 1.00 0.00 C ATOM 0 H THR A 90 -2.257 -12.034 -0.365 1.00 0.00 H new ATOM 0 HA THR A 90 -3.782 -13.539 -0.850 1.00 0.00 H new ATOM 0 HB THR A 90 -1.708 -15.225 -2.281 1.00 0.00 H new ATOM 0 HG1 THR A 90 -1.363 -13.131 -3.047 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.586 -15.688 -3.811 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.975 -16.143 -2.135 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.639 -14.643 -2.828 1.00 0.00 H new ATOM 1341 N ASP A 91 -2.527 -14.799 1.373 1.00 0.00 N ATOM 1342 CA ASP A 91 -2.434 -15.802 2.427 1.00 0.00 C ATOM 1343 C ASP A 91 -3.702 -15.818 3.275 1.00 0.00 C ATOM 1344 O ASP A 91 -3.878 -14.981 4.161 1.00 0.00 O ATOM 1345 CB ASP A 91 -1.216 -15.532 3.312 1.00 0.00 C ATOM 1346 CG ASP A 91 0.074 -15.474 2.519 1.00 0.00 C ATOM 1347 OD1 ASP A 91 0.224 -16.273 1.571 1.00 0.00 O ATOM 1348 OD2 ASP A 91 0.935 -14.631 2.847 1.00 0.00 O ATOM 0 H ASP A 91 -2.439 -13.836 1.699 1.00 0.00 H new ATOM 0 HA ASP A 91 -2.321 -16.779 1.956 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -1.357 -14.589 3.841 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -1.139 -16.313 4.068 1.00 0.00 H new ATOM 1353 N SER A 92 -4.582 -16.775 2.997 1.00 0.00 N ATOM 1354 CA SER A 92 -5.836 -16.896 3.732 1.00 0.00 C ATOM 1355 C SER A 92 -5.599 -17.496 5.115 1.00 0.00 C ATOM 1356 O SER A 92 -5.428 -18.706 5.258 1.00 0.00 O ATOM 1357 CB SER A 92 -6.827 -17.762 2.951 1.00 0.00 C ATOM 1358 OG SER A 92 -7.464 -17.014 1.930 1.00 0.00 O ATOM 0 H SER A 92 -4.450 -17.477 2.269 1.00 0.00 H new ATOM 0 HA SER A 92 -6.255 -15.897 3.855 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.304 -18.612 2.511 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.576 -18.166 3.631 1.00 0.00 H new ATOM 0 HG SER A 92 -8.091 -17.590 1.445 1.00 0.00 H new ATOM 1364 N SER A 93 -5.592 -16.638 6.131 1.00 0.00 N ATOM 1365 CA SER A 93 -5.373 -17.081 7.503 1.00 0.00 C ATOM 1366 C SER A 93 -6.129 -18.377 7.783 1.00 0.00 C ATOM 1367 O SER A 93 -7.306 -18.507 7.449 1.00 0.00 O ATOM 1368 CB SER A 93 -5.816 -15.997 8.488 1.00 0.00 C ATOM 1369 OG SER A 93 -5.906 -16.511 9.805 1.00 0.00 O ATOM 0 H SER A 93 -5.735 -15.633 6.030 1.00 0.00 H new ATOM 0 HA SER A 93 -4.307 -17.267 7.633 1.00 0.00 H new ATOM 0 HB2 SER A 93 -5.108 -15.169 8.465 1.00 0.00 H new ATOM 0 HB3 SER A 93 -6.783 -15.598 8.183 1.00 0.00 H new ATOM 0 HG SER A 93 -6.798 -16.890 9.948 1.00 0.00 H new ATOM 1375 N GLY A 94 -5.441 -19.334 8.398 1.00 0.00 N ATOM 1376 CA GLY A 94 -6.061 -20.608 8.713 1.00 0.00 C ATOM 1377 C GLY A 94 -7.329 -20.449 9.529 1.00 0.00 C ATOM 1378 O GLY A 94 -8.441 -20.610 9.026 1.00 0.00 O ATOM 0 H GLY A 94 -4.465 -19.250 8.684 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -6.292 -21.135 7.787 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -5.353 -21.227 9.264 1.00 0.00 H new ATOM 1382 N PRO A 95 -7.168 -20.128 10.821 1.00 0.00 N ATOM 1383 CA PRO A 95 -8.298 -19.942 11.737 1.00 0.00 C ATOM 1384 C PRO A 95 -9.098 -18.683 11.422 1.00 0.00 C ATOM 1385 O PRO A 95 -8.591 -17.754 10.794 1.00 0.00 O ATOM 1386 CB PRO A 95 -7.628 -19.820 13.108 1.00 0.00 C ATOM 1387 CG PRO A 95 -6.254 -19.324 12.815 1.00 0.00 C ATOM 1388 CD PRO A 95 -5.872 -19.921 11.488 1.00 0.00 C ATOM 0 HA PRO A 95 -9.016 -20.760 11.669 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -8.169 -19.128 13.753 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -7.601 -20.781 13.622 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -6.233 -18.235 12.774 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -5.555 -19.627 13.595 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -5.228 -19.252 10.917 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -5.329 -20.858 11.610 1.00 0.00 H new ATOM 1396 N SER A 96 -10.353 -18.659 11.862 1.00 0.00 N ATOM 1397 CA SER A 96 -11.224 -17.514 11.623 1.00 0.00 C ATOM 1398 C SER A 96 -11.171 -16.537 12.794 1.00 0.00 C ATOM 1399 O SER A 96 -12.004 -16.588 13.698 1.00 0.00 O ATOM 1400 CB SER A 96 -12.664 -17.981 11.400 1.00 0.00 C ATOM 1401 OG SER A 96 -13.133 -18.735 12.504 1.00 0.00 O ATOM 0 H SER A 96 -10.788 -19.419 12.385 1.00 0.00 H new ATOM 0 HA SER A 96 -10.872 -17.001 10.728 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.310 -17.117 11.245 1.00 0.00 H new ATOM 0 HB3 SER A 96 -12.717 -18.585 10.494 1.00 0.00 H new ATOM 0 HG SER A 96 -12.843 -18.309 13.338 1.00 0.00 H new ATOM 1407 N SER A 97 -10.183 -15.648 12.769 1.00 0.00 N ATOM 1408 CA SER A 97 -10.016 -14.661 13.830 1.00 0.00 C ATOM 1409 C SER A 97 -10.655 -13.332 13.439 1.00 0.00 C ATOM 1410 O SER A 97 -10.696 -12.971 12.264 1.00 0.00 O ATOM 1411 CB SER A 97 -8.532 -14.456 14.137 1.00 0.00 C ATOM 1412 OG SER A 97 -7.909 -15.681 14.485 1.00 0.00 O ATOM 0 H SER A 97 -9.486 -15.591 12.026 1.00 0.00 H new ATOM 0 HA SER A 97 -10.515 -15.036 14.724 1.00 0.00 H new ATOM 0 HB2 SER A 97 -8.034 -14.025 13.269 1.00 0.00 H new ATOM 0 HB3 SER A 97 -8.422 -13.743 14.954 1.00 0.00 H new ATOM 0 HG SER A 97 -6.961 -15.523 14.675 1.00 0.00 H new ATOM 1418 N GLY A 98 -11.153 -12.606 14.436 1.00 0.00 N ATOM 1419 CA GLY A 98 -11.783 -11.325 14.178 1.00 0.00 C ATOM 1420 C GLY A 98 -10.804 -10.292 13.656 1.00 0.00 C ATOM 1421 O GLY A 98 -9.783 -10.639 13.063 1.00 0.00 O ATOM 0 H GLY A 98 -11.131 -12.883 15.417 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -12.587 -11.458 13.454 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -12.240 -10.957 15.097 1.00 0.00 H new TER 1425 GLY A 98