USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 706 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 65 THR OG1 : rot 180:sc= 1.12 USER MOD Set 1.2: A 67 SER OG : rot -82:sc= 0.885 USER MOD Set 2.1: A 18 GLN : amide:sc=-0.000665 K(o=1.2,f=-0.29!) USER MOD Set 2.2: A 23 TYR OH : rot 170:sc= 0.624 USER MOD Set 2.3: A 87 TYR OH : rot 180:sc= 0.576 USER MOD Set 3.1: A 15 CYS SG : rot -52:sc= -3.45! USER MOD Set 3.2: A 32 CYS SG : rot -100:sc= -2.12! USER MOD Set 4.1: A 13 SER OG : rot -8:sc= 1.2 USER MOD Set 4.2: A 91 THR OG1 : rot 43:sc= 1.02 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 ASN : amide:sc= -0.601 K(o=-0.6,f=-1.8) USER MOD Single : A 9 ASN : amide:sc= -0.0759 K(o=-0.076,f=-4.6!) USER MOD Single : A 14 GLN : amide:sc= -0.0852 X(o=-0.085,f=0) USER MOD Single : A 17 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.148) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 ASN :FLIP amide:sc= -0.374 F(o=-0.9,f=-0.37) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -158:sc= -0.57 (180deg=-1.98) USER MOD Single : A 34 GLN :FLIP amide:sc= 0 F(o=-2.5,f=0) USER MOD Single : A 37 ASN : amide:sc= -1.22 K(o=-1.2,f=-3!) USER MOD Single : A 40 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0353) USER MOD Single : A 45 SER OG : rot 180:sc= -1.52 USER MOD Single : A 47 SER OG : rot -170:sc= -0.647 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.074 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.246 X(o=-0.25,f=-0.25) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -3.13! C(o=-3.1!,f=-8.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 180:sc= -0.434 USER MOD Single : A 71 ASN : amide:sc= -0.613 K(o=-0.61,f=-4.3!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.0652 USER MOD Single : A 73 ASN : amide:sc= -1.71! C(o=-1.7!,f=-7.2!) USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 77 ASN : amide:sc= -0.572 K(o=-0.57,f=-2.1!) USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= 0.805 (180deg=0.209) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.0608 K(o=-0.061,f=-1.6!) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -12:sc= 0.838 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 36.794 -4.338 -3.659 1.00 0.00 N ATOM 2 CA GLY A 1 38.005 -3.934 -2.813 1.00 0.00 C ATOM 3 C GLY A 1 39.149 -4.879 -2.651 1.00 0.00 C ATOM 4 O GLY A 1 38.981 -6.084 -2.678 1.00 0.00 O ATOM 0 H1 GLY A 1 36.099 -3.564 -3.662 1.00 0.00 H new ATOM 0 H2 GLY A 1 37.101 -4.531 -4.634 1.00 0.00 H new ATOM 0 H3 GLY A 1 36.359 -5.193 -3.257 1.00 0.00 H new ATOM 0 HA2 GLY A 1 38.403 -3.012 -3.236 1.00 0.00 H new ATOM 0 HA3 GLY A 1 37.638 -3.694 -1.815 1.00 0.00 H new ATOM 10 N GLY A 2 40.339 -4.363 -2.478 1.00 0.00 N ATOM 11 CA GLY A 2 41.525 -5.258 -2.310 1.00 0.00 C ATOM 12 C GLY A 2 42.774 -4.416 -2.012 1.00 0.00 C ATOM 13 O GLY A 2 42.708 -3.207 -1.913 1.00 0.00 O ATOM 0 H GLY A 2 40.541 -3.364 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 2 41.348 -5.963 -1.498 1.00 0.00 H new ATOM 0 HA3 GLY A 2 41.679 -5.846 -3.215 1.00 0.00 H new ATOM 17 N SER A 3 43.915 -5.050 -1.866 1.00 0.00 N ATOM 18 CA SER A 3 45.175 -4.296 -1.574 1.00 0.00 C ATOM 19 C SER A 3 45.938 -4.050 -2.882 1.00 0.00 C ATOM 20 O SER A 3 45.951 -4.887 -3.765 1.00 0.00 O ATOM 21 CB SER A 3 46.044 -5.121 -0.622 1.00 0.00 C ATOM 22 OG SER A 3 46.652 -6.186 -1.342 1.00 0.00 O ATOM 0 H SER A 3 44.027 -6.061 -1.937 1.00 0.00 H new ATOM 0 HA SER A 3 44.932 -3.339 -1.112 1.00 0.00 H new ATOM 0 HB2 SER A 3 46.809 -4.489 -0.170 1.00 0.00 H new ATOM 0 HB3 SER A 3 45.437 -5.517 0.192 1.00 0.00 H new ATOM 0 HG SER A 3 47.210 -6.715 -0.735 1.00 0.00 H new ATOM 28 N GLY A 4 46.570 -2.907 -3.012 1.00 0.00 N ATOM 29 CA GLY A 4 47.334 -2.589 -4.265 1.00 0.00 C ATOM 30 C GLY A 4 48.843 -2.597 -3.988 1.00 0.00 C ATOM 31 O GLY A 4 49.375 -3.518 -3.402 1.00 0.00 O ATOM 0 H GLY A 4 46.590 -2.176 -2.301 1.00 0.00 H new ATOM 0 HA2 GLY A 4 47.096 -3.319 -5.039 1.00 0.00 H new ATOM 0 HA3 GLY A 4 47.033 -1.613 -4.644 1.00 0.00 H new ATOM 35 N TRP A 5 49.534 -1.575 -4.421 1.00 0.00 N ATOM 36 CA TRP A 5 51.008 -1.515 -4.201 1.00 0.00 C ATOM 37 C TRP A 5 51.303 -1.326 -2.721 1.00 0.00 C ATOM 38 O TRP A 5 50.824 -0.402 -2.093 1.00 0.00 O ATOM 39 CB TRP A 5 51.590 -0.350 -5.007 1.00 0.00 C ATOM 40 CG TRP A 5 53.057 -0.252 -4.753 1.00 0.00 C ATOM 41 CD1 TRP A 5 54.018 -0.888 -5.461 1.00 0.00 C ATOM 42 CD2 TRP A 5 53.744 0.521 -3.732 1.00 0.00 C ATOM 43 NE1 TRP A 5 55.254 -0.557 -4.931 1.00 0.00 N ATOM 44 CE2 TRP A 5 55.135 0.311 -3.864 1.00 0.00 C ATOM 45 CE3 TRP A 5 53.294 1.377 -2.711 1.00 0.00 C ATOM 46 CZ2 TRP A 5 56.051 0.931 -3.011 1.00 0.00 C ATOM 47 CZ3 TRP A 5 54.211 2.002 -1.853 1.00 0.00 C ATOM 48 CH2 TRP A 5 55.587 1.781 -2.002 1.00 0.00 C ATOM 0 H TRP A 5 49.139 -0.777 -4.919 1.00 0.00 H new ATOM 0 HA TRP A 5 51.465 -2.448 -4.531 1.00 0.00 H new ATOM 0 HB2 TRP A 5 51.404 -0.501 -6.070 1.00 0.00 H new ATOM 0 HB3 TRP A 5 51.099 0.582 -4.726 1.00 0.00 H new ATOM 0 HD1 TRP A 5 53.849 -1.545 -6.301 1.00 0.00 H new ATOM 0 HE1 TRP A 5 56.143 -0.911 -5.285 1.00 0.00 H new ATOM 0 HE3 TRP A 5 52.236 1.554 -2.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 57.110 0.755 -3.130 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 53.854 2.658 -1.072 1.00 0.00 H new ATOM 0 HH2 TRP A 5 56.288 2.266 -1.339 1.00 0.00 H new ATOM 59 N ASN A 6 52.104 -2.204 -2.161 1.00 0.00 N ATOM 60 CA ASN A 6 52.461 -2.094 -0.715 1.00 0.00 C ATOM 61 C ASN A 6 53.965 -2.303 -0.534 1.00 0.00 C ATOM 62 O ASN A 6 54.437 -2.587 0.549 1.00 0.00 O ATOM 63 CB ASN A 6 51.688 -3.146 0.084 1.00 0.00 C ATOM 64 CG ASN A 6 51.915 -2.932 1.582 1.00 0.00 C ATOM 65 OD1 ASN A 6 52.638 -3.678 2.207 1.00 0.00 O ATOM 66 ND2 ASN A 6 51.316 -1.945 2.187 1.00 0.00 N ATOM 0 H ASN A 6 52.526 -2.994 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 6 52.196 -1.101 -0.352 1.00 0.00 H new ATOM 0 HB2 ASN A 6 50.624 -3.080 -0.145 1.00 0.00 H new ATOM 0 HB3 ASN A 6 52.014 -4.146 -0.203 1.00 0.00 H new ATOM 0 HD21 ASN A 6 51.455 -1.800 3.187 1.00 0.00 H new ATOM 0 HD22 ASN A 6 50.708 -1.318 1.660 1.00 0.00 H new ATOM 73 N ALA A 7 54.715 -2.173 -1.587 1.00 0.00 N ATOM 74 CA ALA A 7 56.191 -2.370 -1.484 1.00 0.00 C ATOM 75 C ALA A 7 56.473 -3.776 -0.943 1.00 0.00 C ATOM 76 O ALA A 7 57.533 -4.047 -0.414 1.00 0.00 O ATOM 77 CB ALA A 7 56.780 -1.327 -0.524 1.00 0.00 C ATOM 0 H ALA A 7 54.373 -1.938 -2.519 1.00 0.00 H new ATOM 0 HA ALA A 7 56.647 -2.255 -2.468 1.00 0.00 H new ATOM 0 HB1 ALA A 7 57.858 -1.470 -0.448 1.00 0.00 H new ATOM 0 HB2 ALA A 7 56.573 -0.326 -0.902 1.00 0.00 H new ATOM 0 HB3 ALA A 7 56.328 -1.443 0.461 1.00 0.00 H new ATOM 83 N ASP A 8 55.519 -4.665 -1.048 1.00 0.00 N ATOM 84 CA ASP A 8 55.703 -6.052 -0.515 1.00 0.00 C ATOM 85 C ASP A 8 56.081 -7.037 -1.632 1.00 0.00 C ATOM 86 O ASP A 8 56.161 -8.226 -1.399 1.00 0.00 O ATOM 87 CB ASP A 8 54.391 -6.508 0.129 1.00 0.00 C ATOM 88 CG ASP A 8 54.644 -7.738 1.005 1.00 0.00 C ATOM 89 OD1 ASP A 8 55.732 -8.285 0.925 1.00 0.00 O ATOM 90 OD2 ASP A 8 53.745 -8.110 1.740 1.00 0.00 O ATOM 0 H ASP A 8 54.613 -4.490 -1.483 1.00 0.00 H new ATOM 0 HA ASP A 8 56.512 -6.038 0.215 1.00 0.00 H new ATOM 0 HB2 ASP A 8 53.971 -5.702 0.730 1.00 0.00 H new ATOM 0 HB3 ASP A 8 53.659 -6.744 -0.643 1.00 0.00 H new ATOM 95 N ASN A 9 56.315 -6.569 -2.839 1.00 0.00 N ATOM 96 CA ASN A 9 56.691 -7.508 -3.955 1.00 0.00 C ATOM 97 C ASN A 9 57.939 -6.974 -4.651 1.00 0.00 C ATOM 98 O ASN A 9 58.338 -7.449 -5.695 1.00 0.00 O ATOM 99 CB ASN A 9 55.540 -7.599 -4.966 1.00 0.00 C ATOM 100 CG ASN A 9 55.409 -6.280 -5.731 1.00 0.00 C ATOM 101 OD1 ASN A 9 55.559 -5.217 -5.165 1.00 0.00 O ATOM 102 ND2 ASN A 9 55.140 -6.307 -7.008 1.00 0.00 N ATOM 0 H ASN A 9 56.263 -5.584 -3.101 1.00 0.00 H new ATOM 0 HA ASN A 9 56.888 -8.500 -3.549 1.00 0.00 H new ATOM 0 HB2 ASN A 9 55.722 -8.417 -5.663 1.00 0.00 H new ATOM 0 HB3 ASN A 9 54.607 -7.823 -4.448 1.00 0.00 H new ATOM 0 HD21 ASN A 9 55.056 -5.435 -7.530 1.00 0.00 H new ATOM 0 HD22 ASN A 9 55.014 -7.200 -7.484 1.00 0.00 H new ATOM 109 N VAL A 10 58.541 -5.973 -4.076 1.00 0.00 N ATOM 110 CA VAL A 10 59.760 -5.359 -4.669 1.00 0.00 C ATOM 111 C VAL A 10 60.873 -5.385 -3.626 1.00 0.00 C ATOM 112 O VAL A 10 60.683 -4.981 -2.497 1.00 0.00 O ATOM 113 CB VAL A 10 59.426 -3.911 -5.051 1.00 0.00 C ATOM 114 CG1 VAL A 10 58.688 -3.888 -6.393 1.00 0.00 C ATOM 115 CG2 VAL A 10 58.522 -3.303 -3.975 1.00 0.00 C ATOM 0 H VAL A 10 58.233 -5.546 -3.202 1.00 0.00 H new ATOM 0 HA VAL A 10 60.086 -5.905 -5.554 1.00 0.00 H new ATOM 0 HB VAL A 10 60.349 -3.337 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 10 58.452 -2.858 -6.661 1.00 0.00 H new ATOM 0 HG12 VAL A 10 59.321 -4.328 -7.164 1.00 0.00 H new ATOM 0 HG13 VAL A 10 57.765 -4.462 -6.310 1.00 0.00 H new ATOM 0 HG21 VAL A 10 58.281 -2.274 -4.241 1.00 0.00 H new ATOM 0 HG22 VAL A 10 57.602 -3.884 -3.902 1.00 0.00 H new ATOM 0 HG23 VAL A 10 59.038 -3.318 -3.015 1.00 0.00 H new ATOM 125 N ASP A 11 62.034 -5.862 -3.983 1.00 0.00 N ATOM 126 CA ASP A 11 63.154 -5.910 -2.998 1.00 0.00 C ATOM 127 C ASP A 11 63.942 -4.593 -3.081 1.00 0.00 C ATOM 128 O ASP A 11 64.027 -3.995 -4.136 1.00 0.00 O ATOM 129 CB ASP A 11 64.077 -7.086 -3.327 1.00 0.00 C ATOM 130 CG ASP A 11 63.325 -8.398 -3.099 1.00 0.00 C ATOM 131 OD1 ASP A 11 62.135 -8.429 -3.369 1.00 0.00 O ATOM 132 OD2 ASP A 11 63.950 -9.349 -2.660 1.00 0.00 O ATOM 0 H ASP A 11 62.256 -6.220 -4.912 1.00 0.00 H new ATOM 0 HA ASP A 11 62.758 -6.041 -1.991 1.00 0.00 H new ATOM 0 HB2 ASP A 11 64.413 -7.021 -4.362 1.00 0.00 H new ATOM 0 HB3 ASP A 11 64.968 -7.050 -2.700 1.00 0.00 H new ATOM 137 N PRO A 12 64.509 -4.132 -1.988 1.00 0.00 N ATOM 138 CA PRO A 12 65.290 -2.858 -1.967 1.00 0.00 C ATOM 139 C PRO A 12 66.713 -3.050 -2.502 1.00 0.00 C ATOM 140 O PRO A 12 67.362 -2.119 -2.933 1.00 0.00 O ATOM 141 CB PRO A 12 65.321 -2.515 -0.477 1.00 0.00 C ATOM 142 CG PRO A 12 65.386 -3.847 0.188 1.00 0.00 C ATOM 143 CD PRO A 12 64.480 -4.757 -0.648 1.00 0.00 C ATOM 0 HA PRO A 12 64.851 -2.083 -2.596 1.00 0.00 H new ATOM 0 HB2 PRO A 12 66.184 -1.899 -0.225 1.00 0.00 H new ATOM 0 HB3 PRO A 12 64.433 -1.959 -0.175 1.00 0.00 H new ATOM 0 HG2 PRO A 12 66.408 -4.225 0.214 1.00 0.00 H new ATOM 0 HG3 PRO A 12 65.041 -3.789 1.220 1.00 0.00 H new ATOM 0 HD2 PRO A 12 64.853 -5.781 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 12 63.468 -4.796 -0.245 1.00 0.00 H new ATOM 151 N SER A 13 67.203 -4.258 -2.469 1.00 0.00 N ATOM 152 CA SER A 13 68.584 -4.523 -2.963 1.00 0.00 C ATOM 153 C SER A 13 68.705 -4.141 -4.442 1.00 0.00 C ATOM 154 O SER A 13 69.705 -3.599 -4.867 1.00 0.00 O ATOM 155 CB SER A 13 68.910 -6.006 -2.792 1.00 0.00 C ATOM 156 OG SER A 13 69.044 -6.294 -1.409 1.00 0.00 O ATOM 0 H SER A 13 66.705 -5.077 -2.120 1.00 0.00 H new ATOM 0 HA SER A 13 69.286 -3.922 -2.385 1.00 0.00 H new ATOM 0 HB2 SER A 13 68.121 -6.618 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 13 69.832 -6.252 -3.319 1.00 0.00 H new ATOM 0 HG SER A 13 69.025 -5.458 -0.897 1.00 0.00 H new ATOM 162 N GLN A 14 67.706 -4.428 -5.234 1.00 0.00 N ATOM 163 CA GLN A 14 67.790 -4.087 -6.687 1.00 0.00 C ATOM 164 C GLN A 14 67.449 -2.611 -6.905 1.00 0.00 C ATOM 165 O GLN A 14 67.705 -2.053 -7.955 1.00 0.00 O ATOM 166 CB GLN A 14 66.815 -4.968 -7.472 1.00 0.00 C ATOM 167 CG GLN A 14 65.400 -4.809 -6.911 1.00 0.00 C ATOM 168 CD GLN A 14 64.427 -5.631 -7.761 1.00 0.00 C ATOM 169 OE1 GLN A 14 64.038 -5.213 -8.833 1.00 0.00 O ATOM 170 NE2 GLN A 14 64.019 -6.794 -7.328 1.00 0.00 N ATOM 0 H GLN A 14 66.840 -4.881 -4.942 1.00 0.00 H new ATOM 0 HA GLN A 14 68.806 -4.265 -7.038 1.00 0.00 H new ATOM 0 HB2 GLN A 14 66.830 -4.692 -8.526 1.00 0.00 H new ATOM 0 HB3 GLN A 14 67.124 -6.011 -7.411 1.00 0.00 H new ATOM 0 HG2 GLN A 14 65.367 -5.143 -5.874 1.00 0.00 H new ATOM 0 HG3 GLN A 14 65.109 -3.759 -6.917 1.00 0.00 H new ATOM 0 HE21 GLN A 14 64.345 -7.146 -6.428 1.00 0.00 H new ATOM 0 HE22 GLN A 14 63.374 -7.350 -7.890 1.00 0.00 H new ATOM 179 N CYS A 15 66.891 -1.971 -5.919 1.00 0.00 N ATOM 180 CA CYS A 15 66.557 -0.526 -6.064 1.00 0.00 C ATOM 181 C CYS A 15 67.849 0.288 -6.066 1.00 0.00 C ATOM 182 O CYS A 15 67.933 1.339 -6.670 1.00 0.00 O ATOM 183 CB CYS A 15 65.659 -0.094 -4.909 1.00 0.00 C ATOM 184 SG CYS A 15 63.990 -0.720 -5.209 1.00 0.00 S ATOM 0 H CYS A 15 66.651 -2.384 -5.018 1.00 0.00 H new ATOM 0 HA CYS A 15 66.028 -0.357 -7.002 1.00 0.00 H new ATOM 0 HB2 CYS A 15 66.044 -0.481 -3.966 1.00 0.00 H new ATOM 0 HB3 CYS A 15 65.646 0.993 -4.826 1.00 0.00 H new ATOM 0 HG CYS A 15 63.604 -0.372 -6.400 1.00 0.00 H new ATOM 189 N ILE A 16 68.862 -0.205 -5.398 1.00 0.00 N ATOM 190 CA ILE A 16 70.178 0.506 -5.348 1.00 0.00 C ATOM 191 C ILE A 16 71.249 -0.424 -5.932 1.00 0.00 C ATOM 192 O ILE A 16 71.285 -1.598 -5.625 1.00 0.00 O ATOM 193 CB ILE A 16 70.517 0.840 -3.883 1.00 0.00 C ATOM 194 CG1 ILE A 16 70.630 -0.466 -3.038 1.00 0.00 C ATOM 195 CG2 ILE A 16 69.406 1.732 -3.312 1.00 0.00 C ATOM 196 CD1 ILE A 16 72.103 -0.814 -2.783 1.00 0.00 C ATOM 0 H ILE A 16 68.833 -1.082 -4.878 1.00 0.00 H new ATOM 0 HA ILE A 16 70.136 1.431 -5.923 1.00 0.00 H new ATOM 0 HB ILE A 16 71.474 1.360 -3.842 1.00 0.00 H new ATOM 0 HG12 ILE A 16 70.111 -0.338 -2.088 1.00 0.00 H new ATOM 0 HG13 ILE A 16 70.141 -1.288 -3.561 1.00 0.00 H new ATOM 0 HG21 ILE A 16 69.633 1.977 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 16 69.341 2.650 -3.895 1.00 0.00 H new ATOM 0 HG23 ILE A 16 68.454 1.203 -3.360 1.00 0.00 H new ATOM 0 HD11 ILE A 16 72.164 -1.728 -2.192 1.00 0.00 H new ATOM 0 HD12 ILE A 16 72.612 -0.963 -3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 16 72.581 0.002 -2.240 1.00 0.00 H new ATOM 208 N LYS A 17 72.112 0.086 -6.781 1.00 0.00 N ATOM 209 CA LYS A 17 73.175 -0.777 -7.399 1.00 0.00 C ATOM 210 C LYS A 17 74.543 -0.351 -6.868 1.00 0.00 C ATOM 211 O LYS A 17 74.777 0.808 -6.584 1.00 0.00 O ATOM 212 CB LYS A 17 73.179 -0.593 -8.920 1.00 0.00 C ATOM 213 CG LYS A 17 71.784 -0.844 -9.498 1.00 0.00 C ATOM 214 CD LYS A 17 71.415 -2.329 -9.386 1.00 0.00 C ATOM 215 CE LYS A 17 70.234 -2.623 -10.315 1.00 0.00 C ATOM 216 NZ LYS A 17 69.628 -3.939 -9.967 1.00 0.00 N ATOM 0 H LYS A 17 72.127 1.063 -7.074 1.00 0.00 H new ATOM 0 HA LYS A 17 72.971 -1.818 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 17 73.505 0.417 -9.168 1.00 0.00 H new ATOM 0 HB3 LYS A 17 73.895 -1.279 -9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 17 71.049 -0.240 -8.966 1.00 0.00 H new ATOM 0 HG3 LYS A 17 71.756 -0.534 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 17 72.269 -2.950 -9.656 1.00 0.00 H new ATOM 0 HD3 LYS A 17 71.154 -2.575 -8.357 1.00 0.00 H new ATOM 0 HE2 LYS A 17 69.487 -1.834 -10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 17 70.569 -2.630 -11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 69.088 -4.298 -10.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 70.381 -4.615 -9.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 68.992 -3.824 -9.153 1.00 0.00 H new ATOM 230 N GLN A 18 75.455 -1.278 -6.741 1.00 0.00 N ATOM 231 CA GLN A 18 76.813 -0.927 -6.239 1.00 0.00 C ATOM 232 C GLN A 18 77.747 -0.739 -7.435 1.00 0.00 C ATOM 233 O GLN A 18 77.969 -1.654 -8.204 1.00 0.00 O ATOM 234 CB GLN A 18 77.336 -2.073 -5.370 1.00 0.00 C ATOM 235 CG GLN A 18 78.727 -1.721 -4.836 1.00 0.00 C ATOM 236 CD GLN A 18 79.209 -2.822 -3.890 1.00 0.00 C ATOM 237 OE1 GLN A 18 78.427 -3.638 -3.442 1.00 0.00 O ATOM 238 NE2 GLN A 18 80.474 -2.889 -3.576 1.00 0.00 N ATOM 0 H GLN A 18 75.317 -2.264 -6.964 1.00 0.00 H new ATOM 0 HA GLN A 18 76.769 -0.010 -5.652 1.00 0.00 H new ATOM 0 HB2 GLN A 18 76.653 -2.255 -4.541 1.00 0.00 H new ATOM 0 HB3 GLN A 18 77.382 -2.993 -5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 18 79.427 -1.607 -5.664 1.00 0.00 H new ATOM 0 HG3 GLN A 18 78.695 -0.766 -4.312 1.00 0.00 H new ATOM 0 HE21 GLN A 18 81.130 -2.204 -3.952 1.00 0.00 H new ATOM 0 HE22 GLN A 18 80.807 -3.626 -2.955 1.00 0.00 H new ATOM 247 N SER A 19 78.315 0.431 -7.586 1.00 0.00 N ATOM 248 CA SER A 19 79.262 0.681 -8.718 1.00 0.00 C ATOM 249 C SER A 19 80.666 0.759 -8.136 1.00 0.00 C ATOM 250 O SER A 19 80.966 1.628 -7.340 1.00 0.00 O ATOM 251 CB SER A 19 78.919 2.008 -9.398 1.00 0.00 C ATOM 252 OG SER A 19 79.828 2.234 -10.469 1.00 0.00 O ATOM 0 H SER A 19 78.163 1.230 -6.970 1.00 0.00 H new ATOM 0 HA SER A 19 79.192 -0.118 -9.456 1.00 0.00 H new ATOM 0 HB2 SER A 19 77.896 1.984 -9.773 1.00 0.00 H new ATOM 0 HB3 SER A 19 78.976 2.825 -8.678 1.00 0.00 H new ATOM 0 HG SER A 19 79.611 3.083 -10.909 1.00 0.00 H new ATOM 258 N GLY A 20 81.529 -0.147 -8.496 1.00 0.00 N ATOM 259 CA GLY A 20 82.899 -0.112 -7.920 1.00 0.00 C ATOM 260 C GLY A 20 82.768 -0.112 -6.399 1.00 0.00 C ATOM 261 O GLY A 20 82.376 -1.100 -5.808 1.00 0.00 O ATOM 0 H GLY A 20 81.348 -0.902 -9.157 1.00 0.00 H new ATOM 0 HA2 GLY A 20 83.475 -0.975 -8.253 1.00 0.00 H new ATOM 0 HA3 GLY A 20 83.432 0.777 -8.257 1.00 0.00 H new ATOM 265 N VAL A 21 83.073 0.992 -5.759 1.00 0.00 N ATOM 266 CA VAL A 21 82.951 1.073 -4.267 1.00 0.00 C ATOM 267 C VAL A 21 81.933 2.161 -3.908 1.00 0.00 C ATOM 268 O VAL A 21 82.078 2.857 -2.922 1.00 0.00 O ATOM 269 CB VAL A 21 84.324 1.414 -3.661 1.00 0.00 C ATOM 270 CG1 VAL A 21 84.716 2.867 -3.999 1.00 0.00 C ATOM 271 CG2 VAL A 21 84.285 1.222 -2.132 1.00 0.00 C ATOM 0 H VAL A 21 83.403 1.846 -6.208 1.00 0.00 H new ATOM 0 HA VAL A 21 82.614 0.117 -3.867 1.00 0.00 H new ATOM 0 HB VAL A 21 85.070 0.744 -4.087 1.00 0.00 H new ATOM 0 HG11 VAL A 21 85.689 3.092 -3.563 1.00 0.00 H new ATOM 0 HG12 VAL A 21 84.766 2.988 -5.081 1.00 0.00 H new ATOM 0 HG13 VAL A 21 83.970 3.549 -3.592 1.00 0.00 H new ATOM 0 HG21 VAL A 21 85.260 1.465 -1.710 1.00 0.00 H new ATOM 0 HG22 VAL A 21 83.529 1.879 -1.702 1.00 0.00 H new ATOM 0 HG23 VAL A 21 84.038 0.186 -1.902 1.00 0.00 H new ATOM 281 N GLN A 22 80.908 2.321 -4.713 1.00 0.00 N ATOM 282 CA GLN A 22 79.876 3.376 -4.438 1.00 0.00 C ATOM 283 C GLN A 22 78.462 2.810 -4.513 1.00 0.00 C ATOM 284 O GLN A 22 78.200 1.802 -5.141 1.00 0.00 O ATOM 285 CB GLN A 22 80.007 4.499 -5.465 1.00 0.00 C ATOM 286 CG GLN A 22 81.283 5.283 -5.189 1.00 0.00 C ATOM 287 CD GLN A 22 81.463 6.362 -6.259 1.00 0.00 C ATOM 288 OE1 GLN A 22 80.555 6.637 -7.019 1.00 0.00 O ATOM 289 NE2 GLN A 22 82.604 6.987 -6.352 1.00 0.00 N ATOM 0 H GLN A 22 80.740 1.765 -5.552 1.00 0.00 H new ATOM 0 HA GLN A 22 80.048 3.753 -3.430 1.00 0.00 H new ATOM 0 HB2 GLN A 22 80.031 4.085 -6.473 1.00 0.00 H new ATOM 0 HB3 GLN A 22 79.141 5.159 -5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 22 81.234 5.741 -4.201 1.00 0.00 H new ATOM 0 HG3 GLN A 22 82.141 4.611 -5.187 1.00 0.00 H new ATOM 0 HE21 GLN A 22 83.366 6.756 -5.714 1.00 0.00 H new ATOM 0 HE22 GLN A 22 82.735 7.707 -7.063 1.00 0.00 H new ATOM 298 N TYR A 23 77.542 3.505 -3.897 1.00 0.00 N ATOM 299 CA TYR A 23 76.102 3.102 -3.920 1.00 0.00 C ATOM 300 C TYR A 23 75.307 4.251 -4.539 1.00 0.00 C ATOM 301 O TYR A 23 75.540 5.404 -4.237 1.00 0.00 O ATOM 302 CB TYR A 23 75.598 2.856 -2.489 1.00 0.00 C ATOM 303 CG TYR A 23 75.982 1.466 -2.029 1.00 0.00 C ATOM 304 CD1 TYR A 23 75.425 0.349 -2.661 1.00 0.00 C ATOM 305 CD2 TYR A 23 76.875 1.293 -0.964 1.00 0.00 C ATOM 306 CE1 TYR A 23 75.760 -0.941 -2.231 1.00 0.00 C ATOM 307 CE2 TYR A 23 77.208 0.001 -0.532 1.00 0.00 C ATOM 308 CZ TYR A 23 76.650 -1.115 -1.166 1.00 0.00 C ATOM 309 OH TYR A 23 76.975 -2.387 -0.740 1.00 0.00 O ATOM 0 H TYR A 23 77.732 4.355 -3.366 1.00 0.00 H new ATOM 0 HA TYR A 23 75.980 2.185 -4.496 1.00 0.00 H new ATOM 0 HB2 TYR A 23 76.021 3.600 -1.814 1.00 0.00 H new ATOM 0 HB3 TYR A 23 74.515 2.972 -2.453 1.00 0.00 H new ATOM 0 HD1 TYR A 23 74.736 0.482 -3.482 1.00 0.00 H new ATOM 0 HD2 TYR A 23 77.307 2.154 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 23 75.331 -1.802 -2.722 1.00 0.00 H new ATOM 0 HE2 TYR A 23 77.895 -0.133 0.290 1.00 0.00 H new ATOM 0 HH TYR A 23 77.725 -2.340 -0.110 1.00 0.00 H new ATOM 319 N THR A 24 74.380 3.953 -5.407 1.00 0.00 N ATOM 320 CA THR A 24 73.576 5.033 -6.054 1.00 0.00 C ATOM 321 C THR A 24 72.106 4.611 -6.098 1.00 0.00 C ATOM 322 O THR A 24 71.785 3.440 -6.077 1.00 0.00 O ATOM 323 CB THR A 24 74.106 5.258 -7.469 1.00 0.00 C ATOM 324 OG1 THR A 24 74.188 4.008 -8.141 1.00 0.00 O ATOM 325 CG2 THR A 24 75.499 5.896 -7.403 1.00 0.00 C ATOM 0 H THR A 24 74.142 3.005 -5.698 1.00 0.00 H new ATOM 0 HA THR A 24 73.658 5.960 -5.486 1.00 0.00 H new ATOM 0 HB THR A 24 73.432 5.923 -8.010 1.00 0.00 H new ATOM 0 HG1 THR A 24 74.526 4.147 -9.050 1.00 0.00 H new ATOM 0 HG21 THR A 24 75.875 6.055 -8.414 1.00 0.00 H new ATOM 0 HG22 THR A 24 75.437 6.853 -6.884 1.00 0.00 H new ATOM 0 HG23 THR A 24 76.177 5.234 -6.864 1.00 0.00 H new ATOM 333 N TYR A 25 71.208 5.560 -6.138 1.00 0.00 N ATOM 334 CA TYR A 25 69.752 5.222 -6.161 1.00 0.00 C ATOM 335 C TYR A 25 69.294 5.016 -7.612 1.00 0.00 C ATOM 336 O TYR A 25 69.525 5.847 -8.468 1.00 0.00 O ATOM 337 CB TYR A 25 68.969 6.382 -5.535 1.00 0.00 C ATOM 338 CG TYR A 25 67.530 5.980 -5.307 1.00 0.00 C ATOM 339 CD1 TYR A 25 66.610 6.036 -6.359 1.00 0.00 C ATOM 340 CD2 TYR A 25 67.115 5.569 -4.036 1.00 0.00 C ATOM 341 CE1 TYR A 25 65.273 5.680 -6.140 1.00 0.00 C ATOM 342 CE2 TYR A 25 65.780 5.210 -3.815 1.00 0.00 C ATOM 343 CZ TYR A 25 64.857 5.266 -4.868 1.00 0.00 C ATOM 344 OH TYR A 25 63.539 4.919 -4.651 1.00 0.00 O ATOM 0 H TYR A 25 71.420 6.558 -6.156 1.00 0.00 H new ATOM 0 HA TYR A 25 69.574 4.306 -5.598 1.00 0.00 H new ATOM 0 HB2 TYR A 25 69.427 6.671 -4.589 1.00 0.00 H new ATOM 0 HB3 TYR A 25 69.011 7.253 -6.189 1.00 0.00 H new ATOM 0 HD1 TYR A 25 66.930 6.354 -7.340 1.00 0.00 H new ATOM 0 HD2 TYR A 25 67.826 5.529 -3.224 1.00 0.00 H new ATOM 0 HE1 TYR A 25 64.563 5.725 -6.952 1.00 0.00 H new ATOM 0 HE2 TYR A 25 65.462 4.890 -2.834 1.00 0.00 H new ATOM 0 HH TYR A 25 63.420 4.655 -3.715 1.00 0.00 H new ATOM 354 N ASN A 26 68.654 3.911 -7.902 1.00 0.00 N ATOM 355 CA ASN A 26 68.188 3.653 -9.299 1.00 0.00 C ATOM 356 C ASN A 26 66.817 4.295 -9.518 1.00 0.00 C ATOM 357 O ASN A 26 65.798 3.644 -9.415 1.00 0.00 O ATOM 358 CB ASN A 26 68.067 2.143 -9.519 1.00 0.00 C ATOM 359 CG ASN A 26 67.721 1.859 -10.983 1.00 0.00 C ATOM 360 OD1 ASN A 26 68.218 2.619 -11.920 1.00 0.00 O flip ATOM 361 ND2 ASN A 26 66.994 0.930 -11.278 1.00 0.00 N flip ATOM 0 H ASN A 26 68.434 3.175 -7.231 1.00 0.00 H new ATOM 0 HA ASN A 26 68.906 4.079 -10.000 1.00 0.00 H new ATOM 0 HB2 ASN A 26 69.003 1.651 -9.255 1.00 0.00 H new ATOM 0 HB3 ASN A 26 67.296 1.732 -8.867 1.00 0.00 H new ATOM 0 HD21 ASN A 26 66.605 0.335 -10.547 1.00 0.00 H new ATOM 0 HD22 ASN A 26 66.774 0.746 -12.257 1.00 0.00 H new ATOM 368 N SER A 27 66.775 5.563 -9.825 1.00 0.00 N ATOM 369 CA SER A 27 65.457 6.225 -10.055 1.00 0.00 C ATOM 370 C SER A 27 65.020 5.999 -11.504 1.00 0.00 C ATOM 371 O SER A 27 63.965 6.434 -11.919 1.00 0.00 O ATOM 372 CB SER A 27 65.575 7.724 -9.785 1.00 0.00 C ATOM 373 OG SER A 27 66.521 8.290 -10.682 1.00 0.00 O ATOM 0 H SER A 27 67.591 6.167 -9.926 1.00 0.00 H new ATOM 0 HA SER A 27 64.717 5.797 -9.379 1.00 0.00 H new ATOM 0 HB2 SER A 27 64.605 8.205 -9.910 1.00 0.00 H new ATOM 0 HB3 SER A 27 65.886 7.896 -8.754 1.00 0.00 H new ATOM 0 HG SER A 27 66.598 9.252 -10.512 1.00 0.00 H new ATOM 379 N GLY A 28 65.823 5.322 -12.280 1.00 0.00 N ATOM 380 CA GLY A 28 65.445 5.070 -13.701 1.00 0.00 C ATOM 381 C GLY A 28 64.129 4.292 -13.738 1.00 0.00 C ATOM 382 O GLY A 28 63.266 4.549 -14.554 1.00 0.00 O ATOM 0 H GLY A 28 66.721 4.934 -11.993 1.00 0.00 H new ATOM 0 HA2 GLY A 28 65.339 6.014 -14.235 1.00 0.00 H new ATOM 0 HA3 GLY A 28 66.230 4.506 -14.205 1.00 0.00 H new ATOM 386 N VAL A 29 63.965 3.347 -12.850 1.00 0.00 N ATOM 387 CA VAL A 29 62.700 2.559 -12.823 1.00 0.00 C ATOM 388 C VAL A 29 61.635 3.361 -12.065 1.00 0.00 C ATOM 389 O VAL A 29 61.899 3.939 -11.029 1.00 0.00 O ATOM 390 CB VAL A 29 62.949 1.222 -12.119 1.00 0.00 C ATOM 391 CG1 VAL A 29 64.020 0.443 -12.886 1.00 0.00 C ATOM 392 CG2 VAL A 29 63.435 1.482 -10.691 1.00 0.00 C ATOM 0 H VAL A 29 64.653 3.088 -12.143 1.00 0.00 H new ATOM 0 HA VAL A 29 62.356 2.365 -13.839 1.00 0.00 H new ATOM 0 HB VAL A 29 62.025 0.645 -12.089 1.00 0.00 H new ATOM 0 HG11 VAL A 29 64.202 -0.510 -12.390 1.00 0.00 H new ATOM 0 HG12 VAL A 29 63.678 0.262 -13.905 1.00 0.00 H new ATOM 0 HG13 VAL A 29 64.943 1.022 -12.910 1.00 0.00 H new ATOM 0 HG21 VAL A 29 63.613 0.531 -10.188 1.00 0.00 H new ATOM 0 HG22 VAL A 29 64.361 2.056 -10.721 1.00 0.00 H new ATOM 0 HG23 VAL A 29 62.677 2.045 -10.146 1.00 0.00 H new ATOM 402 N SER A 30 60.442 3.421 -12.586 1.00 0.00 N ATOM 403 CA SER A 30 59.367 4.205 -11.912 1.00 0.00 C ATOM 404 C SER A 30 58.879 3.488 -10.647 1.00 0.00 C ATOM 405 O SER A 30 58.376 4.109 -9.733 1.00 0.00 O ATOM 406 CB SER A 30 58.192 4.386 -12.875 1.00 0.00 C ATOM 407 OG SER A 30 57.388 3.212 -12.869 1.00 0.00 O ATOM 0 H SER A 30 60.163 2.960 -13.452 1.00 0.00 H new ATOM 0 HA SER A 30 59.773 5.176 -11.627 1.00 0.00 H new ATOM 0 HB2 SER A 30 57.596 5.249 -12.580 1.00 0.00 H new ATOM 0 HB3 SER A 30 58.560 4.582 -13.882 1.00 0.00 H new ATOM 0 HG SER A 30 56.634 3.328 -13.485 1.00 0.00 H new ATOM 413 N VAL A 31 58.992 2.189 -10.591 1.00 0.00 N ATOM 414 CA VAL A 31 58.495 1.457 -9.386 1.00 0.00 C ATOM 415 C VAL A 31 59.220 1.933 -8.124 1.00 0.00 C ATOM 416 O VAL A 31 58.617 2.102 -7.083 1.00 0.00 O ATOM 417 CB VAL A 31 58.726 -0.043 -9.570 1.00 0.00 C ATOM 418 CG1 VAL A 31 60.230 -0.339 -9.572 1.00 0.00 C ATOM 419 CG2 VAL A 31 58.059 -0.807 -8.418 1.00 0.00 C ATOM 0 H VAL A 31 59.403 1.605 -11.319 1.00 0.00 H new ATOM 0 HA VAL A 31 57.430 1.658 -9.272 1.00 0.00 H new ATOM 0 HB VAL A 31 58.294 -0.360 -10.519 1.00 0.00 H new ATOM 0 HG11 VAL A 31 60.390 -1.409 -9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 31 60.706 0.202 -10.390 1.00 0.00 H new ATOM 0 HG13 VAL A 31 60.665 -0.021 -8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 31 58.223 -1.877 -8.548 1.00 0.00 H new ATOM 0 HG22 VAL A 31 58.491 -0.486 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 31 56.989 -0.601 -8.417 1.00 0.00 H new ATOM 429 N CYS A 32 60.501 2.155 -8.197 1.00 0.00 N ATOM 430 CA CYS A 32 61.228 2.622 -6.982 1.00 0.00 C ATOM 431 C CYS A 32 60.783 4.050 -6.645 1.00 0.00 C ATOM 432 O CYS A 32 60.586 4.395 -5.492 1.00 0.00 O ATOM 433 CB CYS A 32 62.736 2.581 -7.235 1.00 0.00 C ATOM 434 SG CYS A 32 63.268 0.856 -7.388 1.00 0.00 S ATOM 0 H CYS A 32 61.072 2.036 -9.034 1.00 0.00 H new ATOM 0 HA CYS A 32 60.998 1.968 -6.141 1.00 0.00 H new ATOM 0 HB2 CYS A 32 62.979 3.131 -8.144 1.00 0.00 H new ATOM 0 HB3 CYS A 32 63.267 3.067 -6.417 1.00 0.00 H new ATOM 0 HG CYS A 32 63.798 0.464 -6.268 1.00 0.00 H new ATOM 439 N MET A 33 60.601 4.880 -7.640 1.00 0.00 N ATOM 440 CA MET A 33 60.149 6.272 -7.363 1.00 0.00 C ATOM 441 C MET A 33 58.637 6.259 -7.130 1.00 0.00 C ATOM 442 O MET A 33 58.067 7.204 -6.621 1.00 0.00 O ATOM 443 CB MET A 33 60.463 7.168 -8.567 1.00 0.00 C ATOM 444 CG MET A 33 61.972 7.175 -8.836 1.00 0.00 C ATOM 445 SD MET A 33 62.861 7.822 -7.394 1.00 0.00 S ATOM 446 CE MET A 33 62.317 9.547 -7.503 1.00 0.00 C ATOM 0 H MET A 33 60.745 4.654 -8.624 1.00 0.00 H new ATOM 0 HA MET A 33 60.665 6.657 -6.483 1.00 0.00 H new ATOM 0 HB2 MET A 33 59.930 6.808 -9.447 1.00 0.00 H new ATOM 0 HB3 MET A 33 60.115 8.183 -8.376 1.00 0.00 H new ATOM 0 HG2 MET A 33 62.314 6.164 -9.060 1.00 0.00 H new ATOM 0 HG3 MET A 33 62.190 7.787 -9.712 1.00 0.00 H new ATOM 0 HE1 MET A 33 63.024 10.186 -6.974 1.00 0.00 H new ATOM 0 HE2 MET A 33 62.269 9.848 -8.550 1.00 0.00 H new ATOM 0 HE3 MET A 33 61.330 9.647 -7.051 1.00 0.00 H new ATOM 456 N GLN A 34 57.986 5.184 -7.488 1.00 0.00 N ATOM 457 CA GLN A 34 56.514 5.098 -7.277 1.00 0.00 C ATOM 458 C GLN A 34 56.231 5.224 -5.782 1.00 0.00 C ATOM 459 O GLN A 34 55.318 5.904 -5.364 1.00 0.00 O ATOM 460 CB GLN A 34 55.998 3.745 -7.776 1.00 0.00 C ATOM 461 CG GLN A 34 54.475 3.698 -7.647 1.00 0.00 C ATOM 462 CD GLN A 34 53.970 2.341 -8.138 1.00 0.00 C ATOM 463 OE1 GLN A 34 54.745 1.600 -8.884 1.00 0.00 O flip ATOM 464 NE2 GLN A 34 52.862 1.946 -7.835 1.00 0.00 N flip ATOM 0 H GLN A 34 58.411 4.362 -7.917 1.00 0.00 H new ATOM 0 HA GLN A 34 56.014 5.896 -7.826 1.00 0.00 H new ATOM 0 HB2 GLN A 34 56.290 3.594 -8.815 1.00 0.00 H new ATOM 0 HB3 GLN A 34 56.447 2.937 -7.198 1.00 0.00 H new ATOM 0 HG2 GLN A 34 54.181 3.855 -6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 34 54.024 4.500 -8.231 1.00 0.00 H new ATOM 0 HE21 GLN A 34 52.256 2.524 -7.252 1.00 0.00 H new ATOM 0 HE22 GLN A 34 52.537 1.036 -8.163 1.00 0.00 H new ATOM 473 N GLY A 35 57.025 4.577 -4.974 1.00 0.00 N ATOM 474 CA GLY A 35 56.824 4.660 -3.503 1.00 0.00 C ATOM 475 C GLY A 35 57.335 6.013 -3.003 1.00 0.00 C ATOM 476 O GLY A 35 56.723 6.651 -2.169 1.00 0.00 O ATOM 0 H GLY A 35 57.806 3.993 -5.272 1.00 0.00 H new ATOM 0 HA2 GLY A 35 55.768 4.544 -3.261 1.00 0.00 H new ATOM 0 HA3 GLY A 35 57.356 3.850 -3.005 1.00 0.00 H new ATOM 480 N LEU A 36 58.454 6.457 -3.510 1.00 0.00 N ATOM 481 CA LEU A 36 59.002 7.771 -3.066 1.00 0.00 C ATOM 482 C LEU A 36 58.059 8.884 -3.544 1.00 0.00 C ATOM 483 O LEU A 36 57.795 9.840 -2.841 1.00 0.00 O ATOM 484 CB LEU A 36 60.389 7.968 -3.687 1.00 0.00 C ATOM 485 CG LEU A 36 61.109 9.162 -3.034 1.00 0.00 C ATOM 486 CD1 LEU A 36 61.542 8.813 -1.596 1.00 0.00 C ATOM 487 CD2 LEU A 36 62.346 9.533 -3.872 1.00 0.00 C ATOM 0 H LEU A 36 59.011 5.968 -4.211 1.00 0.00 H new ATOM 0 HA LEU A 36 59.084 7.800 -1.979 1.00 0.00 H new ATOM 0 HB2 LEU A 36 60.983 7.063 -3.558 1.00 0.00 H new ATOM 0 HB3 LEU A 36 60.293 8.136 -4.760 1.00 0.00 H new ATOM 0 HG LEU A 36 60.423 10.008 -2.994 1.00 0.00 H new ATOM 0 HD11 LEU A 36 62.049 9.669 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 36 60.663 8.563 -1.002 1.00 0.00 H new ATOM 0 HD13 LEU A 36 62.220 7.960 -1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 36 62.857 10.378 -3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 36 63.023 8.680 -3.918 1.00 0.00 H new ATOM 0 HD23 LEU A 36 62.034 9.803 -4.881 1.00 0.00 H new ATOM 499 N ASN A 37 57.555 8.759 -4.744 1.00 0.00 N ATOM 500 CA ASN A 37 56.631 9.796 -5.289 1.00 0.00 C ATOM 501 C ASN A 37 55.354 9.873 -4.448 1.00 0.00 C ATOM 502 O ASN A 37 54.835 10.942 -4.196 1.00 0.00 O ATOM 503 CB ASN A 37 56.276 9.459 -6.740 1.00 0.00 C ATOM 504 CG ASN A 37 57.495 9.705 -7.634 1.00 0.00 C ATOM 505 OD1 ASN A 37 58.382 10.457 -7.278 1.00 0.00 O ATOM 506 ND2 ASN A 37 57.579 9.101 -8.788 1.00 0.00 N ATOM 0 H ASN A 37 57.745 7.979 -5.373 1.00 0.00 H new ATOM 0 HA ASN A 37 57.131 10.764 -5.252 1.00 0.00 H new ATOM 0 HB2 ASN A 37 55.960 8.419 -6.816 1.00 0.00 H new ATOM 0 HB3 ASN A 37 55.438 10.072 -7.072 1.00 0.00 H new ATOM 0 HD21 ASN A 37 58.387 9.260 -9.389 1.00 0.00 H new ATOM 0 HD22 ASN A 37 56.836 8.470 -9.089 1.00 0.00 H new ATOM 513 N GLU A 38 54.831 8.758 -4.018 1.00 0.00 N ATOM 514 CA GLU A 38 53.579 8.797 -3.207 1.00 0.00 C ATOM 515 C GLU A 38 53.897 9.275 -1.785 1.00 0.00 C ATOM 516 O GLU A 38 53.009 9.600 -1.021 1.00 0.00 O ATOM 517 CB GLU A 38 52.937 7.398 -3.171 1.00 0.00 C ATOM 518 CG GLU A 38 52.108 7.161 -4.444 1.00 0.00 C ATOM 519 CD GLU A 38 53.025 7.099 -5.666 1.00 0.00 C ATOM 520 OE1 GLU A 38 53.624 8.113 -5.986 1.00 0.00 O ATOM 521 OE2 GLU A 38 53.106 6.042 -6.268 1.00 0.00 O ATOM 0 H GLU A 38 55.212 7.828 -4.191 1.00 0.00 H new ATOM 0 HA GLU A 38 52.875 9.494 -3.662 1.00 0.00 H new ATOM 0 HB2 GLU A 38 53.712 6.636 -3.086 1.00 0.00 H new ATOM 0 HB3 GLU A 38 52.300 7.305 -2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 38 51.547 6.231 -4.354 1.00 0.00 H new ATOM 0 HG3 GLU A 38 51.379 7.962 -4.567 1.00 0.00 H new ATOM 528 N GLY A 39 55.151 9.345 -1.429 1.00 0.00 N ATOM 529 CA GLY A 39 55.511 9.833 -0.066 1.00 0.00 C ATOM 530 C GLY A 39 55.292 8.732 0.970 1.00 0.00 C ATOM 531 O GLY A 39 55.167 9.000 2.149 1.00 0.00 O ATOM 0 H GLY A 39 55.940 9.086 -2.021 1.00 0.00 H new ATOM 0 HA2 GLY A 39 56.553 10.153 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 39 54.906 10.704 0.187 1.00 0.00 H new ATOM 535 N LYS A 40 55.268 7.497 0.551 1.00 0.00 N ATOM 536 CA LYS A 40 55.081 6.376 1.516 1.00 0.00 C ATOM 537 C LYS A 40 56.456 5.814 1.812 1.00 0.00 C ATOM 538 O LYS A 40 56.638 4.919 2.615 1.00 0.00 O ATOM 539 CB LYS A 40 54.211 5.301 0.869 1.00 0.00 C ATOM 540 CG LYS A 40 52.789 5.831 0.721 1.00 0.00 C ATOM 541 CD LYS A 40 51.912 4.760 0.071 1.00 0.00 C ATOM 542 CE LYS A 40 50.485 5.289 -0.083 1.00 0.00 C ATOM 543 NZ LYS A 40 49.793 5.232 1.235 1.00 0.00 N ATOM 0 H LYS A 40 55.370 7.214 -0.424 1.00 0.00 H new ATOM 0 HA LYS A 40 54.596 6.714 2.432 1.00 0.00 H new ATOM 0 HB2 LYS A 40 54.614 5.028 -0.106 1.00 0.00 H new ATOM 0 HB3 LYS A 40 54.214 4.398 1.479 1.00 0.00 H new ATOM 0 HG2 LYS A 40 52.387 6.102 1.697 1.00 0.00 H new ATOM 0 HG3 LYS A 40 52.788 6.736 0.113 1.00 0.00 H new ATOM 0 HD2 LYS A 40 52.316 4.487 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 40 51.912 3.856 0.681 1.00 0.00 H new ATOM 0 HE2 LYS A 40 50.503 6.314 -0.453 1.00 0.00 H new ATOM 0 HE3 LYS A 40 49.942 4.694 -0.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 48.794 5.494 1.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 49.854 4.267 1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 50.248 5.895 1.895 1.00 0.00 H new ATOM 557 N VAL A 41 57.426 6.357 1.141 1.00 0.00 N ATOM 558 CA VAL A 41 58.831 5.919 1.306 1.00 0.00 C ATOM 559 C VAL A 41 59.698 7.168 1.411 1.00 0.00 C ATOM 560 O VAL A 41 59.309 8.241 0.990 1.00 0.00 O ATOM 561 CB VAL A 41 59.241 5.123 0.069 1.00 0.00 C ATOM 562 CG1 VAL A 41 60.698 4.719 0.159 1.00 0.00 C ATOM 563 CG2 VAL A 41 58.362 3.872 -0.066 1.00 0.00 C ATOM 0 H VAL A 41 57.297 7.109 0.465 1.00 0.00 H new ATOM 0 HA VAL A 41 58.947 5.299 2.195 1.00 0.00 H new ATOM 0 HB VAL A 41 59.105 5.753 -0.810 1.00 0.00 H new ATOM 0 HG11 VAL A 41 60.974 4.152 -0.730 1.00 0.00 H new ATOM 0 HG12 VAL A 41 61.320 5.612 0.228 1.00 0.00 H new ATOM 0 HG13 VAL A 41 60.850 4.102 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 41 58.662 3.311 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 41 58.481 3.246 0.818 1.00 0.00 H new ATOM 0 HG23 VAL A 41 57.318 4.170 -0.162 1.00 0.00 H new ATOM 573 N ARG A 42 60.866 7.034 1.960 1.00 0.00 N ATOM 574 CA ARG A 42 61.795 8.201 2.098 1.00 0.00 C ATOM 575 C ARG A 42 63.093 7.860 1.384 1.00 0.00 C ATOM 576 O ARG A 42 63.979 8.681 1.243 1.00 0.00 O ATOM 577 CB ARG A 42 62.094 8.454 3.573 1.00 0.00 C ATOM 578 CG ARG A 42 60.799 8.806 4.303 1.00 0.00 C ATOM 579 CD ARG A 42 61.101 9.074 5.778 1.00 0.00 C ATOM 580 NE ARG A 42 59.832 9.397 6.498 1.00 0.00 N ATOM 581 CZ ARG A 42 59.397 10.627 6.564 1.00 0.00 C ATOM 582 NH1 ARG A 42 60.055 11.593 5.982 1.00 0.00 N ATOM 583 NH2 ARG A 42 58.296 10.889 7.211 1.00 0.00 N ATOM 0 H ARG A 42 61.230 6.155 2.327 1.00 0.00 H new ATOM 0 HA ARG A 42 61.338 9.092 1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 42 62.547 7.569 4.020 1.00 0.00 H new ATOM 0 HB3 ARG A 42 62.814 9.266 3.675 1.00 0.00 H new ATOM 0 HG2 ARG A 42 60.341 9.685 3.849 1.00 0.00 H new ATOM 0 HG3 ARG A 42 60.083 7.989 4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.574 8.201 6.227 1.00 0.00 H new ATOM 0 HD3 ARG A 42 61.805 9.901 5.871 1.00 0.00 H new ATOM 0 HE ARG A 42 59.300 8.649 6.943 1.00 0.00 H new ATOM 0 HH11 ARG A 42 60.914 11.390 5.472 1.00 0.00 H new ATOM 0 HH12 ARG A 42 59.710 12.551 6.038 1.00 0.00 H new ATOM 0 HH21 ARG A 42 57.778 10.135 7.663 1.00 0.00 H new ATOM 0 HH22 ARG A 42 57.952 11.848 7.265 1.00 0.00 H new ATOM 597 N GLY A 43 63.209 6.640 0.944 1.00 0.00 N ATOM 598 CA GLY A 43 64.451 6.198 0.237 1.00 0.00 C ATOM 599 C GLY A 43 64.807 4.798 0.720 1.00 0.00 C ATOM 600 O GLY A 43 63.987 4.120 1.298 1.00 0.00 O ATOM 0 H GLY A 43 62.493 5.921 1.043 1.00 0.00 H new ATOM 0 HA2 GLY A 43 64.294 6.198 -0.842 1.00 0.00 H new ATOM 0 HA3 GLY A 43 65.269 6.889 0.440 1.00 0.00 H new ATOM 604 N VAL A 44 66.021 4.354 0.492 1.00 0.00 N ATOM 605 CA VAL A 44 66.429 2.982 0.945 1.00 0.00 C ATOM 606 C VAL A 44 67.594 3.105 1.928 1.00 0.00 C ATOM 607 O VAL A 44 68.579 3.758 1.653 1.00 0.00 O ATOM 608 CB VAL A 44 66.881 2.161 -0.267 1.00 0.00 C ATOM 609 CG1 VAL A 44 67.363 0.784 0.197 1.00 0.00 C ATOM 610 CG2 VAL A 44 65.708 1.987 -1.235 1.00 0.00 C ATOM 0 H VAL A 44 66.749 4.882 0.011 1.00 0.00 H new ATOM 0 HA VAL A 44 65.585 2.489 1.429 1.00 0.00 H new ATOM 0 HB VAL A 44 67.695 2.682 -0.771 1.00 0.00 H new ATOM 0 HG11 VAL A 44 67.684 0.201 -0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 44 68.200 0.904 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 44 66.549 0.265 0.703 1.00 0.00 H new ATOM 0 HG21 VAL A 44 66.031 1.403 -2.097 1.00 0.00 H new ATOM 0 HG22 VAL A 44 64.893 1.468 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 44 65.363 2.966 -1.569 1.00 0.00 H new ATOM 620 N SER A 45 67.501 2.481 3.074 1.00 0.00 N ATOM 621 CA SER A 45 68.617 2.571 4.060 1.00 0.00 C ATOM 622 C SER A 45 69.646 1.487 3.743 1.00 0.00 C ATOM 623 O SER A 45 69.302 0.367 3.423 1.00 0.00 O ATOM 624 CB SER A 45 68.072 2.359 5.477 1.00 0.00 C ATOM 625 OG SER A 45 67.487 3.566 5.948 1.00 0.00 O ATOM 0 H SER A 45 66.704 1.916 3.368 1.00 0.00 H new ATOM 0 HA SER A 45 69.083 3.555 3.999 1.00 0.00 H new ATOM 0 HB2 SER A 45 67.331 1.560 5.477 1.00 0.00 H new ATOM 0 HB3 SER A 45 68.876 2.048 6.144 1.00 0.00 H new ATOM 0 HG SER A 45 67.137 3.429 6.853 1.00 0.00 H new ATOM 631 N VAL A 46 70.909 1.817 3.838 1.00 0.00 N ATOM 632 CA VAL A 46 71.983 0.819 3.555 1.00 0.00 C ATOM 633 C VAL A 46 73.004 0.844 4.690 1.00 0.00 C ATOM 634 O VAL A 46 73.446 1.890 5.122 1.00 0.00 O ATOM 635 CB VAL A 46 72.686 1.173 2.241 1.00 0.00 C ATOM 636 CG1 VAL A 46 73.333 2.555 2.365 1.00 0.00 C ATOM 637 CG2 VAL A 46 73.770 0.130 1.948 1.00 0.00 C ATOM 0 H VAL A 46 71.244 2.744 4.102 1.00 0.00 H new ATOM 0 HA VAL A 46 71.540 -0.174 3.474 1.00 0.00 H new ATOM 0 HB VAL A 46 71.958 1.183 1.430 1.00 0.00 H new ATOM 0 HG11 VAL A 46 73.834 2.808 1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 46 72.565 3.299 2.578 1.00 0.00 H new ATOM 0 HG13 VAL A 46 74.062 2.544 3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 46 74.272 0.380 1.013 1.00 0.00 H new ATOM 0 HG22 VAL A 46 74.497 0.123 2.760 1.00 0.00 H new ATOM 0 HG23 VAL A 46 73.313 -0.856 1.862 1.00 0.00 H new ATOM 647 N SER A 47 73.384 -0.308 5.166 1.00 0.00 N ATOM 648 CA SER A 47 74.391 -0.399 6.266 1.00 0.00 C ATOM 649 C SER A 47 75.508 -1.308 5.784 1.00 0.00 C ATOM 650 O SER A 47 75.286 -2.202 4.990 1.00 0.00 O ATOM 651 CB SER A 47 73.741 -1.004 7.506 1.00 0.00 C ATOM 652 OG SER A 47 73.562 -2.397 7.303 1.00 0.00 O ATOM 0 H SER A 47 73.035 -1.207 4.835 1.00 0.00 H new ATOM 0 HA SER A 47 74.776 0.588 6.520 1.00 0.00 H new ATOM 0 HB2 SER A 47 74.366 -0.829 8.382 1.00 0.00 H new ATOM 0 HB3 SER A 47 72.781 -0.526 7.699 1.00 0.00 H new ATOM 0 HG SER A 47 73.007 -2.764 8.022 1.00 0.00 H new ATOM 658 N GLY A 48 76.709 -1.087 6.233 1.00 0.00 N ATOM 659 CA GLY A 48 77.839 -1.946 5.769 1.00 0.00 C ATOM 660 C GLY A 48 78.817 -2.182 6.909 1.00 0.00 C ATOM 661 O GLY A 48 79.146 -1.283 7.656 1.00 0.00 O ATOM 0 H GLY A 48 76.960 -0.355 6.897 1.00 0.00 H new ATOM 0 HA2 GLY A 48 77.456 -2.899 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 48 78.350 -1.468 4.934 1.00 0.00 H new ATOM 665 N VAL A 49 79.293 -3.394 7.033 1.00 0.00 N ATOM 666 CA VAL A 49 80.278 -3.727 8.109 1.00 0.00 C ATOM 667 C VAL A 49 81.534 -4.289 7.459 1.00 0.00 C ATOM 668 O VAL A 49 81.485 -5.219 6.677 1.00 0.00 O ATOM 669 CB VAL A 49 79.679 -4.765 9.061 1.00 0.00 C ATOM 670 CG1 VAL A 49 80.758 -5.266 10.027 1.00 0.00 C ATOM 671 CG2 VAL A 49 78.563 -4.111 9.868 1.00 0.00 C ATOM 0 H VAL A 49 79.039 -4.176 6.429 1.00 0.00 H new ATOM 0 HA VAL A 49 80.522 -2.830 8.679 1.00 0.00 H new ATOM 0 HB VAL A 49 79.289 -5.603 8.484 1.00 0.00 H new ATOM 0 HG11 VAL A 49 80.327 -6.005 10.703 1.00 0.00 H new ATOM 0 HG12 VAL A 49 81.570 -5.722 9.461 1.00 0.00 H new ATOM 0 HG13 VAL A 49 81.146 -4.428 10.606 1.00 0.00 H new ATOM 0 HG21 VAL A 49 78.130 -4.843 10.550 1.00 0.00 H new ATOM 0 HG22 VAL A 49 78.969 -3.277 10.441 1.00 0.00 H new ATOM 0 HG23 VAL A 49 77.791 -3.744 9.191 1.00 0.00 H new ATOM 681 N PHE A 50 82.660 -3.727 7.783 1.00 0.00 N ATOM 682 CA PHE A 50 83.943 -4.201 7.200 1.00 0.00 C ATOM 683 C PHE A 50 84.637 -5.085 8.239 1.00 0.00 C ATOM 684 O PHE A 50 84.943 -4.651 9.332 1.00 0.00 O ATOM 685 CB PHE A 50 84.817 -2.975 6.855 1.00 0.00 C ATOM 686 CG PHE A 50 83.926 -1.802 6.498 1.00 0.00 C ATOM 687 CD1 PHE A 50 83.258 -1.113 7.516 1.00 0.00 C ATOM 688 CD2 PHE A 50 83.756 -1.405 5.159 1.00 0.00 C ATOM 689 CE1 PHE A 50 82.425 -0.034 7.205 1.00 0.00 C ATOM 690 CE2 PHE A 50 82.923 -0.327 4.851 1.00 0.00 C ATOM 691 CZ PHE A 50 82.256 0.360 5.873 1.00 0.00 C ATOM 0 H PHE A 50 82.748 -2.948 8.436 1.00 0.00 H new ATOM 0 HA PHE A 50 83.775 -4.776 6.289 1.00 0.00 H new ATOM 0 HB2 PHE A 50 85.452 -2.718 7.703 1.00 0.00 H new ATOM 0 HB3 PHE A 50 85.478 -3.210 6.021 1.00 0.00 H new ATOM 0 HD1 PHE A 50 83.386 -1.415 8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 50 84.269 -1.934 4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 50 81.911 0.496 7.994 1.00 0.00 H new ATOM 0 HE2 PHE A 50 82.793 -0.023 3.823 1.00 0.00 H new ATOM 0 HZ PHE A 50 81.612 1.193 5.633 1.00 0.00 H new ATOM 701 N TYR A 51 84.880 -6.322 7.913 1.00 0.00 N ATOM 702 CA TYR A 51 85.547 -7.239 8.883 1.00 0.00 C ATOM 703 C TYR A 51 87.051 -7.232 8.608 1.00 0.00 C ATOM 704 O TYR A 51 87.491 -7.565 7.524 1.00 0.00 O ATOM 705 CB TYR A 51 84.982 -8.656 8.698 1.00 0.00 C ATOM 706 CG TYR A 51 83.666 -8.794 9.439 1.00 0.00 C ATOM 707 CD1 TYR A 51 82.461 -8.425 8.825 1.00 0.00 C ATOM 708 CD2 TYR A 51 83.656 -9.302 10.744 1.00 0.00 C ATOM 709 CE1 TYR A 51 81.250 -8.566 9.516 1.00 0.00 C ATOM 710 CE2 TYR A 51 82.446 -9.441 11.434 1.00 0.00 C ATOM 711 CZ TYR A 51 81.243 -9.074 10.820 1.00 0.00 C ATOM 712 OH TYR A 51 80.051 -9.209 11.501 1.00 0.00 O ATOM 0 H TYR A 51 84.645 -6.741 7.013 1.00 0.00 H new ATOM 0 HA TYR A 51 85.365 -6.913 9.907 1.00 0.00 H new ATOM 0 HB2 TYR A 51 84.834 -8.861 7.638 1.00 0.00 H new ATOM 0 HB3 TYR A 51 85.696 -9.392 9.069 1.00 0.00 H new ATOM 0 HD1 TYR A 51 82.466 -8.032 7.819 1.00 0.00 H new ATOM 0 HD2 TYR A 51 84.583 -9.587 11.219 1.00 0.00 H new ATOM 0 HE1 TYR A 51 80.322 -8.283 9.042 1.00 0.00 H new ATOM 0 HE2 TYR A 51 82.441 -9.832 12.441 1.00 0.00 H new ATOM 0 HH TYR A 51 80.224 -9.577 12.393 1.00 0.00 H new ATOM 722 N TYR A 52 87.843 -6.841 9.576 1.00 0.00 N ATOM 723 CA TYR A 52 89.326 -6.791 9.372 1.00 0.00 C ATOM 724 C TYR A 52 89.987 -8.003 10.036 1.00 0.00 C ATOM 725 O TYR A 52 89.806 -8.260 11.210 1.00 0.00 O ATOM 726 CB TYR A 52 89.872 -5.503 9.999 1.00 0.00 C ATOM 727 CG TYR A 52 89.228 -4.304 9.339 1.00 0.00 C ATOM 728 CD1 TYR A 52 89.756 -3.788 8.151 1.00 0.00 C ATOM 729 CD2 TYR A 52 88.099 -3.711 9.916 1.00 0.00 C ATOM 730 CE1 TYR A 52 89.155 -2.679 7.540 1.00 0.00 C ATOM 731 CE2 TYR A 52 87.497 -2.603 9.308 1.00 0.00 C ATOM 732 CZ TYR A 52 88.024 -2.086 8.119 1.00 0.00 C ATOM 733 OH TYR A 52 87.428 -0.996 7.516 1.00 0.00 O ATOM 0 H TYR A 52 87.526 -6.553 10.502 1.00 0.00 H new ATOM 0 HA TYR A 52 89.547 -6.808 8.305 1.00 0.00 H new ATOM 0 HB2 TYR A 52 89.669 -5.494 11.070 1.00 0.00 H new ATOM 0 HB3 TYR A 52 90.954 -5.459 9.879 1.00 0.00 H new ATOM 0 HD1 TYR A 52 90.627 -4.244 7.704 1.00 0.00 H new ATOM 0 HD2 TYR A 52 87.691 -4.110 10.833 1.00 0.00 H new ATOM 0 HE1 TYR A 52 89.563 -2.281 6.623 1.00 0.00 H new ATOM 0 HE2 TYR A 52 86.626 -2.147 9.756 1.00 0.00 H new ATOM 0 HH TYR A 52 86.656 -0.710 8.047 1.00 0.00 H new ATOM 743 N ASN A 53 90.761 -8.748 9.294 1.00 0.00 N ATOM 744 CA ASN A 53 91.445 -9.939 9.878 1.00 0.00 C ATOM 745 C ASN A 53 92.100 -9.559 11.206 1.00 0.00 C ATOM 746 O ASN A 53 92.462 -10.406 11.998 1.00 0.00 O ATOM 747 CB ASN A 53 92.516 -10.438 8.903 1.00 0.00 C ATOM 748 CG ASN A 53 93.341 -11.543 9.568 1.00 0.00 C ATOM 749 OD1 ASN A 53 94.498 -11.348 9.884 1.00 0.00 O ATOM 750 ND2 ASN A 53 92.792 -12.706 9.794 1.00 0.00 N ATOM 0 H ASN A 53 90.950 -8.583 8.305 1.00 0.00 H new ATOM 0 HA ASN A 53 90.713 -10.728 10.052 1.00 0.00 H new ATOM 0 HB2 ASN A 53 92.047 -10.817 7.995 1.00 0.00 H new ATOM 0 HB3 ASN A 53 93.165 -9.614 8.607 1.00 0.00 H new ATOM 0 HD21 ASN A 53 93.334 -13.449 10.235 1.00 0.00 H new ATOM 0 HD22 ASN A 53 91.821 -12.872 9.529 1.00 0.00 H new ATOM 757 N ASP A 54 92.262 -8.288 11.453 1.00 0.00 N ATOM 758 CA ASP A 54 92.902 -7.852 12.722 1.00 0.00 C ATOM 759 C ASP A 54 91.944 -8.119 13.888 1.00 0.00 C ATOM 760 O ASP A 54 92.224 -7.788 15.022 1.00 0.00 O ATOM 761 CB ASP A 54 93.232 -6.357 12.641 1.00 0.00 C ATOM 762 CG ASP A 54 94.173 -5.975 13.789 1.00 0.00 C ATOM 763 OD1 ASP A 54 94.345 -6.786 14.685 1.00 0.00 O ATOM 764 OD2 ASP A 54 94.708 -4.879 13.750 1.00 0.00 O ATOM 0 H ASP A 54 91.978 -7.533 10.829 1.00 0.00 H new ATOM 0 HA ASP A 54 93.825 -8.409 12.882 1.00 0.00 H new ATOM 0 HB2 ASP A 54 93.699 -6.129 11.683 1.00 0.00 H new ATOM 0 HB3 ASP A 54 92.316 -5.769 12.697 1.00 0.00 H new ATOM 769 N GLY A 55 90.825 -8.742 13.612 1.00 0.00 N ATOM 770 CA GLY A 55 89.852 -9.065 14.698 1.00 0.00 C ATOM 771 C GLY A 55 89.061 -7.823 15.105 1.00 0.00 C ATOM 772 O GLY A 55 88.537 -7.752 16.199 1.00 0.00 O ATOM 0 H GLY A 55 90.544 -9.041 12.678 1.00 0.00 H new ATOM 0 HA2 GLY A 55 89.167 -9.843 14.360 1.00 0.00 H new ATOM 0 HA3 GLY A 55 90.384 -9.462 15.562 1.00 0.00 H new ATOM 776 N THR A 56 88.966 -6.845 14.240 1.00 0.00 N ATOM 777 CA THR A 56 88.199 -5.600 14.575 1.00 0.00 C ATOM 778 C THR A 56 87.123 -5.376 13.529 1.00 0.00 C ATOM 779 O THR A 56 87.269 -5.768 12.402 1.00 0.00 O ATOM 780 CB THR A 56 89.150 -4.397 14.605 1.00 0.00 C ATOM 781 OG1 THR A 56 90.039 -4.466 13.498 1.00 0.00 O ATOM 782 CG2 THR A 56 89.947 -4.408 15.909 1.00 0.00 C ATOM 0 H THR A 56 89.388 -6.853 13.311 1.00 0.00 H new ATOM 0 HA THR A 56 87.736 -5.712 15.555 1.00 0.00 H new ATOM 0 HB THR A 56 88.572 -3.475 14.545 1.00 0.00 H new ATOM 0 HG1 THR A 56 90.645 -3.696 13.517 1.00 0.00 H new ATOM 0 HG21 THR A 56 90.623 -3.553 15.930 1.00 0.00 H new ATOM 0 HG22 THR A 56 89.262 -4.350 16.755 1.00 0.00 H new ATOM 0 HG23 THR A 56 90.526 -5.329 15.974 1.00 0.00 H new ATOM 790 N THR A 57 86.036 -4.756 13.902 1.00 0.00 N ATOM 791 CA THR A 57 84.935 -4.509 12.919 1.00 0.00 C ATOM 792 C THR A 57 84.422 -3.079 13.053 1.00 0.00 C ATOM 793 O THR A 57 84.255 -2.565 14.142 1.00 0.00 O ATOM 794 CB THR A 57 83.783 -5.483 13.194 1.00 0.00 C ATOM 795 OG1 THR A 57 83.300 -5.278 14.516 1.00 0.00 O ATOM 796 CG2 THR A 57 84.283 -6.921 13.060 1.00 0.00 C ATOM 0 H THR A 57 85.860 -4.409 14.845 1.00 0.00 H new ATOM 0 HA THR A 57 85.319 -4.659 11.910 1.00 0.00 H new ATOM 0 HB THR A 57 82.982 -5.308 12.476 1.00 0.00 H new ATOM 0 HG1 THR A 57 82.562 -5.898 14.695 1.00 0.00 H new ATOM 0 HG21 THR A 57 83.462 -7.611 13.256 1.00 0.00 H new ATOM 0 HG22 THR A 57 84.660 -7.083 12.050 1.00 0.00 H new ATOM 0 HG23 THR A 57 85.084 -7.096 13.778 1.00 0.00 H new ATOM 804 N SER A 58 84.142 -2.449 11.944 1.00 0.00 N ATOM 805 CA SER A 58 83.600 -1.062 11.955 1.00 0.00 C ATOM 806 C SER A 58 82.220 -1.118 11.313 1.00 0.00 C ATOM 807 O SER A 58 81.999 -1.879 10.393 1.00 0.00 O ATOM 808 CB SER A 58 84.513 -0.144 11.143 1.00 0.00 C ATOM 809 OG SER A 58 85.685 0.139 11.894 1.00 0.00 O ATOM 0 H SER A 58 84.269 -2.846 11.013 1.00 0.00 H new ATOM 0 HA SER A 58 83.541 -0.673 12.972 1.00 0.00 H new ATOM 0 HB2 SER A 58 84.779 -0.619 10.199 1.00 0.00 H new ATOM 0 HB3 SER A 58 83.992 0.782 10.898 1.00 0.00 H new ATOM 0 HG SER A 58 86.273 0.726 11.374 1.00 0.00 H new ATOM 815 N ASN A 59 81.291 -0.329 11.781 1.00 0.00 N ATOM 816 CA ASN A 59 79.917 -0.344 11.192 1.00 0.00 C ATOM 817 C ASN A 59 79.516 1.082 10.835 1.00 0.00 C ATOM 818 O ASN A 59 79.401 1.929 11.699 1.00 0.00 O ATOM 819 CB ASN A 59 78.927 -0.881 12.230 1.00 0.00 C ATOM 820 CG ASN A 59 79.434 -2.208 12.798 1.00 0.00 C ATOM 821 OD1 ASN A 59 80.432 -2.733 12.350 1.00 0.00 O ATOM 822 ND2 ASN A 59 78.774 -2.784 13.766 1.00 0.00 N ATOM 0 H ASN A 59 81.423 0.329 12.549 1.00 0.00 H new ATOM 0 HA ASN A 59 79.907 -0.976 10.304 1.00 0.00 H new ATOM 0 HB2 ASN A 59 78.801 -0.156 13.034 1.00 0.00 H new ATOM 0 HB3 ASN A 59 77.948 -1.022 11.772 1.00 0.00 H new ATOM 0 HD21 ASN A 59 79.097 -3.674 14.145 1.00 0.00 H new ATOM 0 HD22 ASN A 59 77.935 -2.344 14.144 1.00 0.00 H new ATOM 829 N PHE A 60 79.268 1.347 9.574 1.00 0.00 N ATOM 830 CA PHE A 60 78.832 2.715 9.159 1.00 0.00 C ATOM 831 C PHE A 60 77.436 2.601 8.583 1.00 0.00 C ATOM 832 O PHE A 60 77.177 1.810 7.696 1.00 0.00 O ATOM 833 CB PHE A 60 79.769 3.298 8.105 1.00 0.00 C ATOM 834 CG PHE A 60 79.295 4.685 7.723 1.00 0.00 C ATOM 835 CD1 PHE A 60 79.757 5.802 8.431 1.00 0.00 C ATOM 836 CD2 PHE A 60 78.391 4.854 6.666 1.00 0.00 C ATOM 837 CE1 PHE A 60 79.316 7.085 8.081 1.00 0.00 C ATOM 838 CE2 PHE A 60 77.953 6.139 6.317 1.00 0.00 C ATOM 839 CZ PHE A 60 78.415 7.253 7.026 1.00 0.00 C ATOM 0 H PHE A 60 79.350 0.672 8.814 1.00 0.00 H new ATOM 0 HA PHE A 60 78.849 3.378 10.024 1.00 0.00 H new ATOM 0 HB2 PHE A 60 80.787 3.343 8.492 1.00 0.00 H new ATOM 0 HB3 PHE A 60 79.791 2.654 7.226 1.00 0.00 H new ATOM 0 HD1 PHE A 60 80.453 5.674 9.247 1.00 0.00 H new ATOM 0 HD2 PHE A 60 78.032 3.994 6.120 1.00 0.00 H new ATOM 0 HE1 PHE A 60 79.673 7.946 8.627 1.00 0.00 H new ATOM 0 HE2 PHE A 60 77.258 6.269 5.500 1.00 0.00 H new ATOM 0 HZ PHE A 60 78.075 8.243 6.758 1.00 0.00 H new ATOM 849 N LYS A 61 76.540 3.377 9.094 1.00 0.00 N ATOM 850 CA LYS A 61 75.139 3.347 8.619 1.00 0.00 C ATOM 851 C LYS A 61 74.837 4.675 7.948 1.00 0.00 C ATOM 852 O LYS A 61 75.330 5.716 8.339 1.00 0.00 O ATOM 853 CB LYS A 61 74.207 3.121 9.808 1.00 0.00 C ATOM 854 CG LYS A 61 72.757 3.079 9.323 1.00 0.00 C ATOM 855 CD LYS A 61 71.855 2.494 10.417 1.00 0.00 C ATOM 856 CE LYS A 61 71.766 3.465 11.596 1.00 0.00 C ATOM 857 NZ LYS A 61 70.685 3.022 12.523 1.00 0.00 N ATOM 0 H LYS A 61 76.722 4.049 9.840 1.00 0.00 H new ATOM 0 HA LYS A 61 74.989 2.536 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 61 74.461 2.187 10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 61 74.334 3.920 10.539 1.00 0.00 H new ATOM 0 HG2 LYS A 61 72.423 4.083 9.063 1.00 0.00 H new ATOM 0 HG3 LYS A 61 72.685 2.475 8.419 1.00 0.00 H new ATOM 0 HD2 LYS A 61 70.859 2.304 10.016 1.00 0.00 H new ATOM 0 HD3 LYS A 61 72.252 1.536 10.753 1.00 0.00 H new ATOM 0 HE2 LYS A 61 72.719 3.502 12.123 1.00 0.00 H new ATOM 0 HE3 LYS A 61 71.561 4.473 11.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 70.624 3.681 13.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 69.777 3.008 12.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 70.900 2.067 12.875 1.00 0.00 H new ATOM 871 N GLY A 62 74.046 4.639 6.931 1.00 0.00 N ATOM 872 CA GLY A 62 73.703 5.887 6.199 1.00 0.00 C ATOM 873 C GLY A 62 72.406 5.679 5.414 1.00 0.00 C ATOM 874 O GLY A 62 71.928 4.572 5.269 1.00 0.00 O ATOM 0 H GLY A 62 73.613 3.792 6.564 1.00 0.00 H new ATOM 0 HA2 GLY A 62 73.587 6.713 6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 62 74.512 6.157 5.520 1.00 0.00 H new ATOM 878 N VAL A 63 71.833 6.745 4.913 1.00 0.00 N ATOM 879 CA VAL A 63 70.556 6.646 4.135 1.00 0.00 C ATOM 880 C VAL A 63 70.811 7.135 2.712 1.00 0.00 C ATOM 881 O VAL A 63 71.350 8.204 2.506 1.00 0.00 O ATOM 882 CB VAL A 63 69.502 7.538 4.789 1.00 0.00 C ATOM 883 CG1 VAL A 63 68.190 7.441 4.007 1.00 0.00 C ATOM 884 CG2 VAL A 63 69.274 7.086 6.232 1.00 0.00 C ATOM 0 H VAL A 63 72.199 7.692 5.010 1.00 0.00 H new ATOM 0 HA VAL A 63 70.206 5.614 4.119 1.00 0.00 H new ATOM 0 HB VAL A 63 69.849 8.571 4.784 1.00 0.00 H new ATOM 0 HG11 VAL A 63 67.439 8.078 4.475 1.00 0.00 H new ATOM 0 HG12 VAL A 63 68.354 7.767 2.980 1.00 0.00 H new ATOM 0 HG13 VAL A 63 67.841 6.408 4.008 1.00 0.00 H new ATOM 0 HG21 VAL A 63 68.522 7.723 6.698 1.00 0.00 H new ATOM 0 HG22 VAL A 63 68.929 6.052 6.239 1.00 0.00 H new ATOM 0 HG23 VAL A 63 70.208 7.161 6.789 1.00 0.00 H new ATOM 894 N VAL A 64 70.443 6.365 1.724 1.00 0.00 N ATOM 895 CA VAL A 64 70.687 6.799 0.317 1.00 0.00 C ATOM 896 C VAL A 64 69.461 7.534 -0.226 1.00 0.00 C ATOM 897 O VAL A 64 68.384 6.977 -0.355 1.00 0.00 O ATOM 898 CB VAL A 64 70.974 5.574 -0.557 1.00 0.00 C ATOM 899 CG1 VAL A 64 71.311 6.035 -1.977 1.00 0.00 C ATOM 900 CG2 VAL A 64 72.162 4.799 0.021 1.00 0.00 C ATOM 0 H VAL A 64 69.986 5.459 1.828 1.00 0.00 H new ATOM 0 HA VAL A 64 71.545 7.471 0.298 1.00 0.00 H new ATOM 0 HB VAL A 64 70.096 4.928 -0.579 1.00 0.00 H new ATOM 0 HG11 VAL A 64 71.516 5.166 -2.603 1.00 0.00 H new ATOM 0 HG12 VAL A 64 70.467 6.588 -2.390 1.00 0.00 H new ATOM 0 HG13 VAL A 64 72.190 6.679 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 64 72.365 3.928 -0.601 1.00 0.00 H new ATOM 0 HG22 VAL A 64 73.041 5.443 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 64 71.926 4.474 1.034 1.00 0.00 H new ATOM 910 N THR A 65 69.639 8.785 -0.567 1.00 0.00 N ATOM 911 CA THR A 65 68.530 9.603 -1.138 1.00 0.00 C ATOM 912 C THR A 65 69.106 10.364 -2.339 1.00 0.00 C ATOM 913 O THR A 65 70.293 10.616 -2.383 1.00 0.00 O ATOM 914 CB THR A 65 68.032 10.612 -0.096 1.00 0.00 C ATOM 915 OG1 THR A 65 68.917 11.720 -0.054 1.00 0.00 O ATOM 916 CG2 THR A 65 67.985 9.952 1.279 1.00 0.00 C ATOM 0 H THR A 65 70.525 9.282 -0.471 1.00 0.00 H new ATOM 0 HA THR A 65 67.695 8.966 -1.432 1.00 0.00 H new ATOM 0 HB THR A 65 67.032 10.949 -0.370 1.00 0.00 H new ATOM 0 HG1 THR A 65 68.600 12.367 0.610 1.00 0.00 H new ATOM 0 HG21 THR A 65 67.631 10.672 2.016 1.00 0.00 H new ATOM 0 HG22 THR A 65 67.307 9.099 1.250 1.00 0.00 H new ATOM 0 HG23 THR A 65 68.984 9.613 1.554 1.00 0.00 H new ATOM 924 N PRO A 66 68.301 10.730 -3.305 1.00 0.00 N ATOM 925 CA PRO A 66 68.791 11.475 -4.504 1.00 0.00 C ATOM 926 C PRO A 66 69.772 12.611 -4.154 1.00 0.00 C ATOM 927 O PRO A 66 70.390 13.194 -5.024 1.00 0.00 O ATOM 928 CB PRO A 66 67.504 12.042 -5.111 1.00 0.00 C ATOM 929 CG PRO A 66 66.451 11.046 -4.754 1.00 0.00 C ATOM 930 CD PRO A 66 66.842 10.487 -3.380 1.00 0.00 C ATOM 0 HA PRO A 66 69.355 10.829 -5.176 1.00 0.00 H new ATOM 0 HB2 PRO A 66 67.273 13.026 -4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 66 67.592 12.157 -6.191 1.00 0.00 H new ATOM 0 HG2 PRO A 66 65.467 11.515 -4.719 1.00 0.00 H new ATOM 0 HG3 PRO A 66 66.399 10.251 -5.498 1.00 0.00 H new ATOM 0 HD2 PRO A 66 66.310 10.994 -2.575 1.00 0.00 H new ATOM 0 HD3 PRO A 66 66.608 9.426 -3.298 1.00 0.00 H new ATOM 938 N SER A 67 69.914 12.938 -2.895 1.00 0.00 N ATOM 939 CA SER A 67 70.844 14.047 -2.518 1.00 0.00 C ATOM 940 C SER A 67 72.299 13.651 -2.794 1.00 0.00 C ATOM 941 O SER A 67 72.985 14.302 -3.557 1.00 0.00 O ATOM 942 CB SER A 67 70.683 14.368 -1.033 1.00 0.00 C ATOM 943 OG SER A 67 71.021 13.221 -0.267 1.00 0.00 O ATOM 0 H SER A 67 69.431 12.490 -2.117 1.00 0.00 H new ATOM 0 HA SER A 67 70.598 14.924 -3.117 1.00 0.00 H new ATOM 0 HB2 SER A 67 71.325 15.205 -0.758 1.00 0.00 H new ATOM 0 HB3 SER A 67 69.657 14.670 -0.823 1.00 0.00 H new ATOM 0 HG SER A 67 70.253 12.614 -0.231 1.00 0.00 H new ATOM 949 N THR A 68 72.791 12.596 -2.188 1.00 0.00 N ATOM 950 CA THR A 68 74.211 12.196 -2.446 1.00 0.00 C ATOM 951 C THR A 68 74.400 10.691 -2.171 1.00 0.00 C ATOM 952 O THR A 68 73.720 10.132 -1.332 1.00 0.00 O ATOM 953 CB THR A 68 75.148 12.995 -1.532 1.00 0.00 C ATOM 954 OG1 THR A 68 76.372 12.287 -1.383 1.00 0.00 O ATOM 955 CG2 THR A 68 74.499 13.188 -0.160 1.00 0.00 C ATOM 0 H THR A 68 72.279 12.002 -1.535 1.00 0.00 H new ATOM 0 HA THR A 68 74.448 12.403 -3.490 1.00 0.00 H new ATOM 0 HB THR A 68 75.339 13.972 -1.976 1.00 0.00 H new ATOM 0 HG1 THR A 68 76.975 12.795 -0.801 1.00 0.00 H new ATOM 0 HG21 THR A 68 75.171 13.756 0.483 1.00 0.00 H new ATOM 0 HG22 THR A 68 73.561 13.731 -0.274 1.00 0.00 H new ATOM 0 HG23 THR A 68 74.303 12.215 0.290 1.00 0.00 H new ATOM 963 N PRO A 69 75.327 10.036 -2.853 1.00 0.00 N ATOM 964 CA PRO A 69 75.602 8.581 -2.643 1.00 0.00 C ATOM 965 C PRO A 69 76.539 8.324 -1.447 1.00 0.00 C ATOM 966 O PRO A 69 77.244 9.205 -0.995 1.00 0.00 O ATOM 967 CB PRO A 69 76.276 8.169 -3.955 1.00 0.00 C ATOM 968 CG PRO A 69 77.028 9.387 -4.391 1.00 0.00 C ATOM 969 CD PRO A 69 76.211 10.595 -3.904 1.00 0.00 C ATOM 0 HA PRO A 69 74.697 8.019 -2.412 1.00 0.00 H new ATOM 0 HB2 PRO A 69 76.945 7.321 -3.808 1.00 0.00 H new ATOM 0 HB3 PRO A 69 75.541 7.869 -4.701 1.00 0.00 H new ATOM 0 HG2 PRO A 69 78.031 9.398 -3.964 1.00 0.00 H new ATOM 0 HG3 PRO A 69 77.142 9.406 -5.475 1.00 0.00 H new ATOM 0 HD2 PRO A 69 76.856 11.378 -3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 69 75.634 11.039 -4.715 1.00 0.00 H new ATOM 977 N VAL A 70 76.545 7.112 -0.944 1.00 0.00 N ATOM 978 CA VAL A 70 77.423 6.754 0.223 1.00 0.00 C ATOM 979 C VAL A 70 78.522 5.803 -0.274 1.00 0.00 C ATOM 980 O VAL A 70 78.240 4.843 -0.962 1.00 0.00 O ATOM 981 CB VAL A 70 76.570 6.045 1.278 1.00 0.00 C ATOM 982 CG1 VAL A 70 77.438 5.674 2.484 1.00 0.00 C ATOM 983 CG2 VAL A 70 75.435 6.970 1.728 1.00 0.00 C ATOM 0 H VAL A 70 75.973 6.344 -1.295 1.00 0.00 H new ATOM 0 HA VAL A 70 77.873 7.647 0.657 1.00 0.00 H new ATOM 0 HB VAL A 70 76.148 5.137 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 70 76.826 5.170 3.232 1.00 0.00 H new ATOM 0 HG12 VAL A 70 78.241 5.009 2.164 1.00 0.00 H new ATOM 0 HG13 VAL A 70 77.866 6.578 2.916 1.00 0.00 H new ATOM 0 HG21 VAL A 70 74.829 6.463 2.479 1.00 0.00 H new ATOM 0 HG22 VAL A 70 75.855 7.881 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 70 74.812 7.225 0.871 1.00 0.00 H new ATOM 993 N ASN A 71 79.775 6.067 0.039 1.00 0.00 N ATOM 994 CA ASN A 71 80.886 5.181 -0.459 1.00 0.00 C ATOM 995 C ASN A 71 81.354 4.211 0.639 1.00 0.00 C ATOM 996 O ASN A 71 81.409 4.557 1.801 1.00 0.00 O ATOM 997 CB ASN A 71 82.074 6.057 -0.876 1.00 0.00 C ATOM 998 CG ASN A 71 81.612 7.130 -1.864 1.00 0.00 C ATOM 999 OD1 ASN A 71 80.491 7.098 -2.333 1.00 0.00 O ATOM 1000 ND2 ASN A 71 82.439 8.081 -2.207 1.00 0.00 N ATOM 0 H ASN A 71 80.075 6.854 0.615 1.00 0.00 H new ATOM 0 HA ASN A 71 80.513 4.603 -1.304 1.00 0.00 H new ATOM 0 HB2 ASN A 71 82.516 6.526 0.003 1.00 0.00 H new ATOM 0 HB3 ASN A 71 82.849 5.440 -1.332 1.00 0.00 H new ATOM 0 HD21 ASN A 71 82.145 8.799 -2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 71 83.379 8.106 -1.812 1.00 0.00 H new ATOM 1007 N THR A 72 81.722 3.004 0.273 1.00 0.00 N ATOM 1008 CA THR A 72 82.221 2.019 1.294 1.00 0.00 C ATOM 1009 C THR A 72 83.754 2.119 1.364 1.00 0.00 C ATOM 1010 O THR A 72 84.397 1.418 2.121 1.00 0.00 O ATOM 1011 CB THR A 72 81.811 0.584 0.898 1.00 0.00 C ATOM 1012 OG1 THR A 72 82.917 -0.085 0.305 1.00 0.00 O ATOM 1013 CG2 THR A 72 80.653 0.620 -0.103 1.00 0.00 C ATOM 0 H THR A 72 81.699 2.657 -0.686 1.00 0.00 H new ATOM 0 HA THR A 72 81.785 2.248 2.266 1.00 0.00 H new ATOM 0 HB THR A 72 81.495 0.052 1.795 1.00 0.00 H new ATOM 0 HG1 THR A 72 82.654 -0.996 0.057 1.00 0.00 H new ATOM 0 HG21 THR A 72 80.374 -0.398 -0.374 1.00 0.00 H new ATOM 0 HG22 THR A 72 79.798 1.123 0.348 1.00 0.00 H new ATOM 0 HG23 THR A 72 80.962 1.161 -0.997 1.00 0.00 H new ATOM 1021 N ASN A 73 84.341 2.985 0.577 1.00 0.00 N ATOM 1022 CA ASN A 73 85.829 3.136 0.592 1.00 0.00 C ATOM 1023 C ASN A 73 86.251 4.013 1.777 1.00 0.00 C ATOM 1024 O ASN A 73 87.046 4.921 1.633 1.00 0.00 O ATOM 1025 CB ASN A 73 86.286 3.813 -0.704 1.00 0.00 C ATOM 1026 CG ASN A 73 85.698 5.223 -0.773 1.00 0.00 C ATOM 1027 OD1 ASN A 73 84.974 5.636 0.111 1.00 0.00 O ATOM 1028 ND2 ASN A 73 85.981 5.981 -1.794 1.00 0.00 N ATOM 0 H ASN A 73 83.853 3.596 -0.078 1.00 0.00 H new ATOM 0 HA ASN A 73 86.284 2.150 0.682 1.00 0.00 H new ATOM 0 HB2 ASN A 73 87.374 3.858 -0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 73 85.963 3.229 -1.566 1.00 0.00 H new ATOM 0 HD21 ASN A 73 85.595 6.923 -1.852 1.00 0.00 H new ATOM 0 HD22 ASN A 73 86.589 5.632 -2.535 1.00 0.00 H new ATOM 1035 N GLN A 74 85.726 3.759 2.945 1.00 0.00 N ATOM 1036 CA GLN A 74 86.107 4.589 4.124 1.00 0.00 C ATOM 1037 C GLN A 74 87.629 4.726 4.198 1.00 0.00 C ATOM 1038 O GLN A 74 88.191 5.725 3.791 1.00 0.00 O ATOM 1039 CB GLN A 74 85.582 3.924 5.400 1.00 0.00 C ATOM 1040 CG GLN A 74 85.979 4.755 6.621 1.00 0.00 C ATOM 1041 CD GLN A 74 85.364 4.139 7.881 1.00 0.00 C ATOM 1042 OE1 GLN A 74 84.537 3.251 7.796 1.00 0.00 O ATOM 1043 NE2 GLN A 74 85.725 4.582 9.055 1.00 0.00 N ATOM 0 H GLN A 74 85.053 3.016 3.134 1.00 0.00 H new ATOM 0 HA GLN A 74 85.670 5.582 4.024 1.00 0.00 H new ATOM 0 HB2 GLN A 74 84.497 3.829 5.351 1.00 0.00 H new ATOM 0 HB3 GLN A 74 85.987 2.916 5.488 1.00 0.00 H new ATOM 0 HG2 GLN A 74 87.065 4.790 6.713 1.00 0.00 H new ATOM 0 HG3 GLN A 74 85.636 5.783 6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 74 86.418 5.327 9.128 1.00 0.00 H new ATOM 0 HE22 GLN A 74 85.314 4.183 9.899 1.00 0.00 H new ATOM 1052 N ASP A 75 88.299 3.734 4.726 1.00 0.00 N ATOM 1053 CA ASP A 75 89.792 3.794 4.846 1.00 0.00 C ATOM 1054 C ASP A 75 90.433 2.748 3.926 1.00 0.00 C ATOM 1055 O ASP A 75 90.589 1.599 4.288 1.00 0.00 O ATOM 1056 CB ASP A 75 90.175 3.498 6.294 1.00 0.00 C ATOM 1057 CG ASP A 75 89.735 4.664 7.180 1.00 0.00 C ATOM 1058 OD1 ASP A 75 89.654 5.772 6.672 1.00 0.00 O ATOM 1059 OD2 ASP A 75 89.484 4.431 8.349 1.00 0.00 O ATOM 0 H ASP A 75 87.875 2.878 5.083 1.00 0.00 H new ATOM 0 HA ASP A 75 90.145 4.784 4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 75 89.701 2.574 6.626 1.00 0.00 H new ATOM 0 HB3 ASP A 75 91.252 3.351 6.375 1.00 0.00 H new ATOM 1064 N ILE A 76 90.811 3.142 2.742 1.00 0.00 N ATOM 1065 CA ILE A 76 91.447 2.184 1.788 1.00 0.00 C ATOM 1066 C ILE A 76 92.831 1.783 2.304 1.00 0.00 C ATOM 1067 O ILE A 76 93.231 0.638 2.204 1.00 0.00 O ATOM 1068 CB ILE A 76 91.568 2.850 0.407 1.00 0.00 C ATOM 1069 CG1 ILE A 76 90.162 3.109 -0.182 1.00 0.00 C ATOM 1070 CG2 ILE A 76 92.380 1.959 -0.540 1.00 0.00 C ATOM 1071 CD1 ILE A 76 89.568 1.833 -0.810 1.00 0.00 C ATOM 0 H ILE A 76 90.707 4.093 2.390 1.00 0.00 H new ATOM 0 HA ILE A 76 90.832 1.288 1.702 1.00 0.00 H new ATOM 0 HB ILE A 76 92.084 3.803 0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 76 89.499 3.472 0.603 1.00 0.00 H new ATOM 0 HG13 ILE A 76 90.221 3.893 -0.937 1.00 0.00 H new ATOM 0 HG21 ILE A 76 92.459 2.441 -1.515 1.00 0.00 H new ATOM 0 HG22 ILE A 76 93.378 1.806 -0.129 1.00 0.00 H new ATOM 0 HG23 ILE A 76 91.881 0.996 -0.651 1.00 0.00 H new ATOM 0 HD11 ILE A 76 88.580 2.052 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 76 90.219 1.485 -1.612 1.00 0.00 H new ATOM 0 HD13 ILE A 76 89.485 1.057 -0.049 1.00 0.00 H new ATOM 1083 N ASN A 77 93.575 2.706 2.850 1.00 0.00 N ATOM 1084 CA ASN A 77 94.928 2.339 3.354 1.00 0.00 C ATOM 1085 C ASN A 77 94.750 1.267 4.426 1.00 0.00 C ATOM 1086 O ASN A 77 95.491 0.313 4.486 1.00 0.00 O ATOM 1087 CB ASN A 77 95.610 3.569 3.959 1.00 0.00 C ATOM 1088 CG ASN A 77 97.002 3.190 4.470 1.00 0.00 C ATOM 1089 OD1 ASN A 77 97.440 2.068 4.305 1.00 0.00 O ATOM 1090 ND2 ASN A 77 97.722 4.089 5.082 1.00 0.00 N ATOM 0 H ASN A 77 93.310 3.684 2.968 1.00 0.00 H new ATOM 0 HA ASN A 77 95.549 1.966 2.540 1.00 0.00 H new ATOM 0 HB2 ASN A 77 95.689 4.357 3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 77 95.008 3.965 4.777 1.00 0.00 H new ATOM 0 HD21 ASN A 77 98.653 3.851 5.423 1.00 0.00 H new ATOM 0 HD22 ASN A 77 97.354 5.030 5.220 1.00 0.00 H new ATOM 1097 N LYS A 78 93.764 1.415 5.263 1.00 0.00 N ATOM 1098 CA LYS A 78 93.513 0.393 6.321 1.00 0.00 C ATOM 1099 C LYS A 78 93.078 -0.914 5.662 1.00 0.00 C ATOM 1100 O LYS A 78 93.493 -1.990 6.046 1.00 0.00 O ATOM 1101 CB LYS A 78 92.376 0.888 7.216 1.00 0.00 C ATOM 1102 CG LYS A 78 92.099 -0.115 8.345 1.00 0.00 C ATOM 1103 CD LYS A 78 90.783 0.251 9.022 1.00 0.00 C ATOM 1104 CE LYS A 78 90.563 -0.670 10.226 1.00 0.00 C ATOM 1105 NZ LYS A 78 89.267 -0.338 10.883 1.00 0.00 N ATOM 0 H LYS A 78 93.116 2.203 5.262 1.00 0.00 H new ATOM 0 HA LYS A 78 94.419 0.232 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 78 92.636 1.858 7.640 1.00 0.00 H new ATOM 0 HB3 LYS A 78 91.474 1.032 6.621 1.00 0.00 H new ATOM 0 HG2 LYS A 78 92.048 -1.128 7.945 1.00 0.00 H new ATOM 0 HG3 LYS A 78 92.913 -0.100 9.070 1.00 0.00 H new ATOM 0 HD2 LYS A 78 90.803 1.292 9.344 1.00 0.00 H new ATOM 0 HD3 LYS A 78 89.958 0.151 8.317 1.00 0.00 H new ATOM 0 HE2 LYS A 78 90.562 -1.711 9.904 1.00 0.00 H new ATOM 0 HE3 LYS A 78 91.382 -0.557 10.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 89.356 -0.467 11.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 89.017 0.651 10.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 88.522 -0.966 10.518 1.00 0.00 H new ATOM 1119 N THR A 79 92.219 -0.824 4.688 1.00 0.00 N ATOM 1120 CA THR A 79 91.724 -2.048 4.014 1.00 0.00 C ATOM 1121 C THR A 79 92.796 -2.600 3.060 1.00 0.00 C ATOM 1122 O THR A 79 93.091 -3.768 3.072 1.00 0.00 O ATOM 1123 CB THR A 79 90.417 -1.699 3.279 1.00 0.00 C ATOM 1124 OG1 THR A 79 89.328 -1.844 4.181 1.00 0.00 O ATOM 1125 CG2 THR A 79 90.192 -2.610 2.066 1.00 0.00 C ATOM 0 H THR A 79 91.838 0.051 4.329 1.00 0.00 H new ATOM 0 HA THR A 79 91.518 -2.833 4.742 1.00 0.00 H new ATOM 0 HB THR A 79 90.488 -0.672 2.922 1.00 0.00 H new ATOM 0 HG1 THR A 79 88.491 -1.622 3.722 1.00 0.00 H new ATOM 0 HG21 THR A 79 89.260 -2.335 1.572 1.00 0.00 H new ATOM 0 HG22 THR A 79 91.021 -2.497 1.367 1.00 0.00 H new ATOM 0 HG23 THR A 79 90.135 -3.647 2.396 1.00 0.00 H new ATOM 1133 N ASN A 80 93.386 -1.785 2.240 1.00 0.00 N ATOM 1134 CA ASN A 80 94.431 -2.314 1.313 1.00 0.00 C ATOM 1135 C ASN A 80 95.576 -2.928 2.120 1.00 0.00 C ATOM 1136 O ASN A 80 96.222 -3.863 1.690 1.00 0.00 O ATOM 1137 CB ASN A 80 94.981 -1.181 0.444 1.00 0.00 C ATOM 1138 CG ASN A 80 95.768 -1.775 -0.727 1.00 0.00 C ATOM 1139 OD1 ASN A 80 95.446 -2.843 -1.212 1.00 0.00 O ATOM 1140 ND2 ASN A 80 96.795 -1.126 -1.204 1.00 0.00 N ATOM 0 H ASN A 80 93.197 -0.785 2.167 1.00 0.00 H new ATOM 0 HA ASN A 80 93.982 -3.076 0.675 1.00 0.00 H new ATOM 0 HB2 ASN A 80 94.163 -0.564 0.071 1.00 0.00 H new ATOM 0 HB3 ASN A 80 95.625 -0.532 1.038 1.00 0.00 H new ATOM 0 HD21 ASN A 80 97.327 -1.514 -1.983 1.00 0.00 H new ATOM 0 HD22 ASN A 80 97.066 -0.230 -0.798 1.00 0.00 H new ATOM 1147 N LYS A 81 95.843 -2.397 3.275 1.00 0.00 N ATOM 1148 CA LYS A 81 96.958 -2.923 4.108 1.00 0.00 C ATOM 1149 C LYS A 81 96.641 -4.333 4.607 1.00 0.00 C ATOM 1150 O LYS A 81 97.421 -5.246 4.428 1.00 0.00 O ATOM 1151 CB LYS A 81 97.167 -1.960 5.297 1.00 0.00 C ATOM 1152 CG LYS A 81 97.922 -2.629 6.466 1.00 0.00 C ATOM 1153 CD LYS A 81 99.202 -3.339 5.975 1.00 0.00 C ATOM 1154 CE LYS A 81 100.297 -3.262 7.044 1.00 0.00 C ATOM 1155 NZ LYS A 81 101.493 -4.014 6.577 1.00 0.00 N ATOM 0 H LYS A 81 95.333 -1.614 3.683 1.00 0.00 H new ATOM 0 HA LYS A 81 97.869 -2.984 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 81 97.724 -1.086 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 81 96.198 -1.605 5.649 1.00 0.00 H new ATOM 0 HG2 LYS A 81 98.184 -1.877 7.210 1.00 0.00 H new ATOM 0 HG3 LYS A 81 97.269 -3.350 6.958 1.00 0.00 H new ATOM 0 HD2 LYS A 81 98.982 -4.381 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 81 99.552 -2.876 5.052 1.00 0.00 H new ATOM 0 HE2 LYS A 81 100.560 -2.222 7.238 1.00 0.00 H new ATOM 0 HE3 LYS A 81 99.934 -3.680 7.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 102.239 -3.964 7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 101.236 -5.008 6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 101.842 -3.596 5.691 1.00 0.00 H new ATOM 1169 N VAL A 82 95.514 -4.521 5.239 1.00 0.00 N ATOM 1170 CA VAL A 82 95.170 -5.870 5.781 1.00 0.00 C ATOM 1171 C VAL A 82 94.034 -6.525 4.982 1.00 0.00 C ATOM 1172 O VAL A 82 93.892 -7.732 4.977 1.00 0.00 O ATOM 1173 CB VAL A 82 94.779 -5.691 7.248 1.00 0.00 C ATOM 1174 CG1 VAL A 82 93.364 -5.114 7.361 1.00 0.00 C ATOM 1175 CG2 VAL A 82 94.853 -7.040 7.946 1.00 0.00 C ATOM 0 H VAL A 82 94.814 -3.798 5.404 1.00 0.00 H new ATOM 0 HA VAL A 82 96.029 -6.536 5.695 1.00 0.00 H new ATOM 0 HB VAL A 82 95.468 -4.993 7.723 1.00 0.00 H new ATOM 0 HG11 VAL A 82 93.103 -4.994 8.412 1.00 0.00 H new ATOM 0 HG12 VAL A 82 93.326 -4.145 6.864 1.00 0.00 H new ATOM 0 HG13 VAL A 82 92.655 -5.793 6.887 1.00 0.00 H new ATOM 0 HG21 VAL A 82 94.576 -6.923 8.994 1.00 0.00 H new ATOM 0 HG22 VAL A 82 94.167 -7.737 7.465 1.00 0.00 H new ATOM 0 HG23 VAL A 82 95.869 -7.428 7.881 1.00 0.00 H new ATOM 1185 N GLY A 83 93.240 -5.755 4.293 1.00 0.00 N ATOM 1186 CA GLY A 83 92.143 -6.346 3.481 1.00 0.00 C ATOM 1187 C GLY A 83 90.893 -6.553 4.330 1.00 0.00 C ATOM 1188 O GLY A 83 90.918 -6.493 5.542 1.00 0.00 O ATOM 0 H GLY A 83 93.305 -4.738 4.258 1.00 0.00 H new ATOM 0 HA2 GLY A 83 91.913 -5.691 2.640 1.00 0.00 H new ATOM 0 HA3 GLY A 83 92.467 -7.299 3.063 1.00 0.00 H new ATOM 1192 N VAL A 84 89.803 -6.820 3.676 1.00 0.00 N ATOM 1193 CA VAL A 84 88.508 -7.074 4.378 1.00 0.00 C ATOM 1194 C VAL A 84 88.172 -8.558 4.219 1.00 0.00 C ATOM 1195 O VAL A 84 88.215 -9.094 3.130 1.00 0.00 O ATOM 1196 CB VAL A 84 87.415 -6.228 3.724 1.00 0.00 C ATOM 1197 CG1 VAL A 84 86.078 -6.472 4.423 1.00 0.00 C ATOM 1198 CG2 VAL A 84 87.781 -4.748 3.835 1.00 0.00 C ATOM 0 H VAL A 84 89.749 -6.875 2.659 1.00 0.00 H new ATOM 0 HA VAL A 84 88.580 -6.814 5.434 1.00 0.00 H new ATOM 0 HB VAL A 84 87.328 -6.508 2.674 1.00 0.00 H new ATOM 0 HG11 VAL A 84 85.305 -5.866 3.951 1.00 0.00 H new ATOM 0 HG12 VAL A 84 85.812 -7.526 4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 84 86.162 -6.199 5.475 1.00 0.00 H new ATOM 0 HG21 VAL A 84 87.002 -4.145 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 84 87.872 -4.474 4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 84 88.730 -4.569 3.329 1.00 0.00 H new ATOM 1208 N GLN A 85 87.859 -9.240 5.287 1.00 0.00 N ATOM 1209 CA GLN A 85 87.554 -10.694 5.163 1.00 0.00 C ATOM 1210 C GLN A 85 86.123 -10.896 4.669 1.00 0.00 C ATOM 1211 O GLN A 85 85.902 -11.387 3.580 1.00 0.00 O ATOM 1212 CB GLN A 85 87.707 -11.368 6.527 1.00 0.00 C ATOM 1213 CG GLN A 85 87.451 -12.871 6.383 1.00 0.00 C ATOM 1214 CD GLN A 85 87.668 -13.559 7.728 1.00 0.00 C ATOM 1215 OE1 GLN A 85 88.087 -12.938 8.683 1.00 0.00 O ATOM 1216 NE2 GLN A 85 87.411 -14.834 7.840 1.00 0.00 N ATOM 0 H GLN A 85 87.802 -8.858 6.231 1.00 0.00 H new ATOM 0 HA GLN A 85 88.248 -11.135 4.448 1.00 0.00 H new ATOM 0 HB2 GLN A 85 88.709 -11.195 6.920 1.00 0.00 H new ATOM 0 HB3 GLN A 85 87.005 -10.935 7.240 1.00 0.00 H new ATOM 0 HG2 GLN A 85 86.433 -13.045 6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 85 88.121 -13.294 5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 85 87.059 -15.356 7.037 1.00 0.00 H new ATOM 0 HE22 GLN A 85 87.562 -15.308 8.730 1.00 0.00 H new ATOM 1225 N LYS A 86 85.148 -10.542 5.469 1.00 0.00 N ATOM 1226 CA LYS A 86 83.721 -10.733 5.061 1.00 0.00 C ATOM 1227 C LYS A 86 83.046 -9.377 4.884 1.00 0.00 C ATOM 1228 O LYS A 86 83.236 -8.469 5.665 1.00 0.00 O ATOM 1229 CB LYS A 86 82.982 -11.506 6.147 1.00 0.00 C ATOM 1230 CG LYS A 86 81.606 -11.914 5.622 1.00 0.00 C ATOM 1231 CD LYS A 86 80.856 -12.687 6.703 1.00 0.00 C ATOM 1232 CE LYS A 86 79.511 -13.161 6.146 1.00 0.00 C ATOM 1233 NZ LYS A 86 78.867 -14.083 7.124 1.00 0.00 N ATOM 0 H LYS A 86 85.279 -10.127 6.391 1.00 0.00 H new ATOM 0 HA LYS A 86 83.693 -11.284 4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 86 83.552 -12.390 6.434 1.00 0.00 H new ATOM 0 HB3 LYS A 86 82.876 -10.891 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 86 81.039 -11.029 5.333 1.00 0.00 H new ATOM 0 HG3 LYS A 86 81.714 -12.529 4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 86 81.448 -13.541 7.032 1.00 0.00 H new ATOM 0 HD3 LYS A 86 80.698 -12.054 7.576 1.00 0.00 H new ATOM 0 HE2 LYS A 86 78.863 -12.306 5.954 1.00 0.00 H new ATOM 0 HE3 LYS A 86 79.658 -13.669 5.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 77.953 -14.406 6.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 79.484 -14.904 7.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 78.713 -13.583 8.023 1.00 0.00 H new ATOM 1247 N TYR A 87 82.249 -9.249 3.861 1.00 0.00 N ATOM 1248 CA TYR A 87 81.520 -7.970 3.599 1.00 0.00 C ATOM 1249 C TYR A 87 80.015 -8.253 3.572 1.00 0.00 C ATOM 1250 O TYR A 87 79.560 -9.116 2.846 1.00 0.00 O ATOM 1251 CB TYR A 87 81.966 -7.418 2.246 1.00 0.00 C ATOM 1252 CG TYR A 87 81.239 -6.131 1.954 1.00 0.00 C ATOM 1253 CD1 TYR A 87 80.012 -6.161 1.282 1.00 0.00 C ATOM 1254 CD2 TYR A 87 81.792 -4.908 2.348 1.00 0.00 C ATOM 1255 CE1 TYR A 87 79.337 -4.968 1.007 1.00 0.00 C ATOM 1256 CE2 TYR A 87 81.116 -3.715 2.072 1.00 0.00 C ATOM 1257 CZ TYR A 87 79.890 -3.745 1.402 1.00 0.00 C ATOM 1258 OH TYR A 87 79.226 -2.568 1.132 1.00 0.00 O ATOM 0 H TYR A 87 82.067 -9.988 3.182 1.00 0.00 H new ATOM 0 HA TYR A 87 81.738 -7.242 4.380 1.00 0.00 H new ATOM 0 HB2 TYR A 87 83.042 -7.245 2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 87 81.763 -8.147 1.461 1.00 0.00 H new ATOM 0 HD1 TYR A 87 79.587 -7.105 0.976 1.00 0.00 H new ATOM 0 HD2 TYR A 87 82.740 -4.885 2.865 1.00 0.00 H new ATOM 0 HE1 TYR A 87 78.389 -4.990 0.490 1.00 0.00 H new ATOM 0 HE2 TYR A 87 81.542 -2.770 2.377 1.00 0.00 H new ATOM 0 HH TYR A 87 79.747 -1.812 1.475 1.00 0.00 H new ATOM 1268 N ARG A 88 79.238 -7.532 4.350 1.00 0.00 N ATOM 1269 CA ARG A 88 77.753 -7.757 4.364 1.00 0.00 C ATOM 1270 C ARG A 88 77.020 -6.418 4.285 1.00 0.00 C ATOM 1271 O ARG A 88 77.350 -5.462 4.962 1.00 0.00 O ATOM 1272 CB ARG A 88 77.344 -8.487 5.646 1.00 0.00 C ATOM 1273 CG ARG A 88 77.623 -7.608 6.867 1.00 0.00 C ATOM 1274 CD ARG A 88 77.423 -8.431 8.138 1.00 0.00 C ATOM 1275 NE ARG A 88 77.683 -7.573 9.328 1.00 0.00 N ATOM 1276 CZ ARG A 88 77.449 -8.030 10.526 1.00 0.00 C ATOM 1277 NH1 ARG A 88 77.001 -9.244 10.679 1.00 0.00 N ATOM 1278 NH2 ARG A 88 77.667 -7.277 11.569 1.00 0.00 N ATOM 0 H ARG A 88 79.568 -6.797 4.976 1.00 0.00 H new ATOM 0 HA ARG A 88 77.484 -8.367 3.501 1.00 0.00 H new ATOM 0 HB2 ARG A 88 76.285 -8.741 5.606 1.00 0.00 H new ATOM 0 HB3 ARG A 88 77.894 -9.424 5.730 1.00 0.00 H new ATOM 0 HG2 ARG A 88 78.642 -7.222 6.826 1.00 0.00 H new ATOM 0 HG3 ARG A 88 76.956 -6.746 6.869 1.00 0.00 H new ATOM 0 HD2 ARG A 88 76.407 -8.824 8.174 1.00 0.00 H new ATOM 0 HD3 ARG A 88 78.096 -9.288 8.139 1.00 0.00 H new ATOM 0 HE ARG A 88 78.044 -6.627 9.205 1.00 0.00 H new ATOM 0 HH11 ARG A 88 76.835 -9.833 9.863 1.00 0.00 H new ATOM 0 HH12 ARG A 88 76.817 -9.605 11.615 1.00 0.00 H new ATOM 0 HH21 ARG A 88 78.021 -6.328 11.448 1.00 0.00 H new ATOM 0 HH22 ARG A 88 77.483 -7.637 12.505 1.00 0.00 H new ATOM 1292 N ALA A 89 76.020 -6.358 3.447 1.00 0.00 N ATOM 1293 CA ALA A 89 75.222 -5.106 3.272 1.00 0.00 C ATOM 1294 C ALA A 89 73.740 -5.396 3.532 1.00 0.00 C ATOM 1295 O ALA A 89 73.201 -6.379 3.066 1.00 0.00 O ATOM 1296 CB ALA A 89 75.387 -4.605 1.833 1.00 0.00 C ATOM 0 H ALA A 89 75.716 -7.138 2.865 1.00 0.00 H new ATOM 0 HA ALA A 89 75.573 -4.351 3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 89 74.808 -3.692 1.697 1.00 0.00 H new ATOM 0 HB2 ALA A 89 76.440 -4.400 1.638 1.00 0.00 H new ATOM 0 HB3 ALA A 89 75.031 -5.367 1.139 1.00 0.00 H new ATOM 1302 N LEU A 90 73.073 -4.531 4.263 1.00 0.00 N ATOM 1303 CA LEU A 90 71.614 -4.729 4.551 1.00 0.00 C ATOM 1304 C LEU A 90 70.821 -3.624 3.858 1.00 0.00 C ATOM 1305 O LEU A 90 71.148 -2.458 3.954 1.00 0.00 O ATOM 1306 CB LEU A 90 71.375 -4.667 6.075 1.00 0.00 C ATOM 1307 CG LEU A 90 71.466 -6.081 6.683 1.00 0.00 C ATOM 1308 CD1 LEU A 90 71.886 -5.988 8.154 1.00 0.00 C ATOM 1309 CD2 LEU A 90 70.101 -6.774 6.595 1.00 0.00 C ATOM 0 H LEU A 90 73.480 -3.691 4.675 1.00 0.00 H new ATOM 0 HA LEU A 90 71.290 -5.702 4.181 1.00 0.00 H new ATOM 0 HB2 LEU A 90 72.113 -4.014 6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 90 70.395 -4.237 6.280 1.00 0.00 H new ATOM 0 HG LEU A 90 72.205 -6.657 6.127 1.00 0.00 H new ATOM 0 HD11 LEU A 90 71.949 -6.990 8.579 1.00 0.00 H new ATOM 0 HD12 LEU A 90 72.859 -5.502 8.224 1.00 0.00 H new ATOM 0 HD13 LEU A 90 71.149 -5.405 8.707 1.00 0.00 H new ATOM 0 HD21 LEU A 90 70.171 -7.773 7.026 1.00 0.00 H new ATOM 0 HD22 LEU A 90 69.362 -6.192 7.146 1.00 0.00 H new ATOM 0 HD23 LEU A 90 69.798 -6.850 5.551 1.00 0.00 H new ATOM 1321 N THR A 91 69.782 -3.993 3.159 1.00 0.00 N ATOM 1322 CA THR A 91 68.944 -2.981 2.437 1.00 0.00 C ATOM 1323 C THR A 91 67.473 -3.138 2.844 1.00 0.00 C ATOM 1324 O THR A 91 66.874 -4.184 2.683 1.00 0.00 O ATOM 1325 CB THR A 91 69.087 -3.197 0.924 1.00 0.00 C ATOM 1326 OG1 THR A 91 69.084 -4.591 0.641 1.00 0.00 O ATOM 1327 CG2 THR A 91 70.398 -2.579 0.436 1.00 0.00 C ATOM 0 H THR A 91 69.472 -4.959 3.054 1.00 0.00 H new ATOM 0 HA THR A 91 69.279 -1.977 2.698 1.00 0.00 H new ATOM 0 HB THR A 91 68.252 -2.720 0.411 1.00 0.00 H new ATOM 0 HG1 THR A 91 68.387 -5.031 1.171 1.00 0.00 H new ATOM 0 HG21 THR A 91 70.496 -2.734 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 91 70.398 -1.510 0.649 1.00 0.00 H new ATOM 0 HG23 THR A 91 71.236 -3.051 0.949 1.00 0.00 H new ATOM 1335 N GLU A 92 66.899 -2.089 3.379 1.00 0.00 N ATOM 1336 CA GLU A 92 65.467 -2.132 3.815 1.00 0.00 C ATOM 1337 C GLU A 92 64.730 -0.884 3.323 1.00 0.00 C ATOM 1338 O GLU A 92 65.319 0.155 3.108 1.00 0.00 O ATOM 1339 CB GLU A 92 65.404 -2.209 5.344 1.00 0.00 C ATOM 1340 CG GLU A 92 66.036 -0.960 5.957 1.00 0.00 C ATOM 1341 CD GLU A 92 66.206 -1.168 7.463 1.00 0.00 C ATOM 1342 OE1 GLU A 92 65.399 -1.880 8.039 1.00 0.00 O ATOM 1343 OE2 GLU A 92 67.144 -0.616 8.016 1.00 0.00 O ATOM 0 H GLU A 92 67.366 -1.195 3.534 1.00 0.00 H new ATOM 0 HA GLU A 92 64.986 -3.012 3.388 1.00 0.00 H new ATOM 0 HB2 GLU A 92 64.368 -2.299 5.669 1.00 0.00 H new ATOM 0 HB3 GLU A 92 65.926 -3.100 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 92 67.003 -0.763 5.494 1.00 0.00 H new ATOM 0 HG3 GLU A 92 65.408 -0.090 5.767 1.00 0.00 H new ATOM 1350 N TRP A 93 63.437 -0.981 3.156 1.00 0.00 N ATOM 1351 CA TRP A 93 62.644 0.196 2.695 1.00 0.00 C ATOM 1352 C TRP A 93 62.535 1.204 3.842 1.00 0.00 C ATOM 1353 O TRP A 93 62.323 0.840 4.982 1.00 0.00 O ATOM 1354 CB TRP A 93 61.235 -0.262 2.284 1.00 0.00 C ATOM 1355 CG TRP A 93 61.284 -0.909 0.935 1.00 0.00 C ATOM 1356 CD1 TRP A 93 61.136 -2.234 0.694 1.00 0.00 C ATOM 1357 CD2 TRP A 93 61.489 -0.280 -0.361 1.00 0.00 C ATOM 1358 NE1 TRP A 93 61.236 -2.453 -0.668 1.00 0.00 N ATOM 1359 CE2 TRP A 93 61.454 -1.279 -1.361 1.00 0.00 C ATOM 1360 CE3 TRP A 93 61.699 1.050 -0.760 1.00 0.00 C ATOM 1361 CZ2 TRP A 93 61.621 -0.969 -2.710 1.00 0.00 C ATOM 1362 CZ3 TRP A 93 61.867 1.367 -2.117 1.00 0.00 C ATOM 1363 CH2 TRP A 93 61.828 0.360 -3.090 1.00 0.00 C ATOM 0 H TRP A 93 62.894 -1.829 3.320 1.00 0.00 H new ATOM 0 HA TRP A 93 63.137 0.659 1.840 1.00 0.00 H new ATOM 0 HB2 TRP A 93 60.842 -0.964 3.020 1.00 0.00 H new ATOM 0 HB3 TRP A 93 60.557 0.591 2.264 1.00 0.00 H new ATOM 0 HD1 TRP A 93 60.968 -2.994 1.442 1.00 0.00 H new ATOM 0 HE1 TRP A 93 61.158 -3.370 -1.107 1.00 0.00 H new ATOM 0 HE3 TRP A 93 61.731 1.834 -0.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 61.591 -1.750 -3.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 62.027 2.393 -2.413 1.00 0.00 H new ATOM 0 HH2 TRP A 93 61.958 0.610 -4.133 1.00 0.00 H new ATOM 1374 N VAL A 94 62.673 2.471 3.542 1.00 0.00 N ATOM 1375 CA VAL A 94 62.576 3.527 4.599 1.00 0.00 C ATOM 1376 C VAL A 94 61.284 4.313 4.383 1.00 0.00 C ATOM 1377 O VAL A 94 61.108 4.974 3.375 1.00 0.00 O ATOM 1378 CB VAL A 94 63.782 4.465 4.483 1.00 0.00 C ATOM 1379 CG1 VAL A 94 63.772 5.478 5.630 1.00 0.00 C ATOM 1380 CG2 VAL A 94 65.065 3.637 4.550 1.00 0.00 C ATOM 0 H VAL A 94 62.850 2.823 2.601 1.00 0.00 H new ATOM 0 HA VAL A 94 62.569 3.074 5.591 1.00 0.00 H new ATOM 0 HB VAL A 94 63.732 5.001 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 94 64.633 6.140 5.538 1.00 0.00 H new ATOM 0 HG12 VAL A 94 62.856 6.067 5.588 1.00 0.00 H new ATOM 0 HG13 VAL A 94 63.820 4.950 6.582 1.00 0.00 H new ATOM 0 HG21 VAL A 94 65.929 4.297 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 94 65.105 3.104 5.500 1.00 0.00 H new ATOM 0 HG23 VAL A 94 65.078 2.919 3.730 1.00 0.00 H new ATOM 1390 N GLY A 95 60.384 4.246 5.327 1.00 0.00 N ATOM 1391 CA GLY A 95 59.092 4.975 5.190 1.00 0.00 C ATOM 1392 C GLY A 95 58.305 4.859 6.494 1.00 0.00 C ATOM 1393 O GLY A 95 57.806 5.834 7.020 1.00 0.00 O ATOM 0 H GLY A 95 60.490 3.715 6.191 1.00 0.00 H new ATOM 0 HA2 GLY A 95 59.276 6.023 4.955 1.00 0.00 H new ATOM 0 HA3 GLY A 95 58.513 4.560 4.365 1.00 0.00 H new ATOM 1397 N SER A 96 58.187 3.674 7.021 1.00 0.00 N ATOM 1398 CA SER A 96 57.436 3.503 8.293 1.00 0.00 C ATOM 1399 C SER A 96 58.233 4.129 9.436 1.00 0.00 C ATOM 1400 O SER A 96 59.447 4.162 9.410 1.00 0.00 O ATOM 1401 CB SER A 96 57.238 2.012 8.563 1.00 0.00 C ATOM 1402 OG SER A 96 56.434 1.447 7.536 1.00 0.00 O ATOM 0 H SER A 96 58.577 2.818 6.627 1.00 0.00 H new ATOM 0 HA SER A 96 56.464 3.991 8.218 1.00 0.00 H new ATOM 0 HB2 SER A 96 58.203 1.507 8.603 1.00 0.00 H new ATOM 0 HB3 SER A 96 56.762 1.867 9.533 1.00 0.00 H new ATOM 0 HG SER A 96 56.308 0.490 7.708 1.00 0.00 H new ATOM 1408 N ARG A 97 57.562 4.623 10.446 1.00 0.00 N ATOM 1409 CA ARG A 97 58.281 5.246 11.600 1.00 0.00 C ATOM 1410 C ARG A 97 58.396 4.218 12.732 1.00 0.00 C ATOM 1411 O ARG A 97 57.425 3.599 13.121 1.00 0.00 O ATOM 1412 CB ARG A 97 57.498 6.465 12.111 1.00 0.00 C ATOM 1413 CG ARG A 97 57.531 7.595 11.074 1.00 0.00 C ATOM 1414 CD ARG A 97 56.775 8.811 11.624 1.00 0.00 C ATOM 1415 NE ARG A 97 56.738 9.896 10.598 1.00 0.00 N ATOM 1416 CZ ARG A 97 55.806 9.904 9.680 1.00 0.00 C ATOM 1417 NH1 ARG A 97 54.919 8.947 9.642 1.00 0.00 N ATOM 1418 NH2 ARG A 97 55.764 10.868 8.800 1.00 0.00 N ATOM 0 H ARG A 97 56.545 4.622 10.522 1.00 0.00 H new ATOM 0 HA ARG A 97 59.272 5.564 11.276 1.00 0.00 H new ATOM 0 HB2 ARG A 97 56.466 6.182 12.317 1.00 0.00 H new ATOM 0 HB3 ARG A 97 57.927 6.813 13.051 1.00 0.00 H new ATOM 0 HG2 ARG A 97 58.562 7.866 10.847 1.00 0.00 H new ATOM 0 HG3 ARG A 97 57.076 7.261 10.141 1.00 0.00 H new ATOM 0 HD2 ARG A 97 55.760 8.525 11.899 1.00 0.00 H new ATOM 0 HD3 ARG A 97 57.261 9.172 12.530 1.00 0.00 H new ATOM 0 HE ARG A 97 57.442 10.634 10.613 1.00 0.00 H new ATOM 0 HH11 ARG A 97 54.953 8.193 10.328 1.00 0.00 H new ATOM 0 HH12 ARG A 97 54.192 8.953 8.926 1.00 0.00 H new ATOM 0 HH21 ARG A 97 56.458 11.615 8.828 1.00 0.00 H new ATOM 0 HH22 ARG A 97 55.037 10.874 8.084 1.00 0.00 H new ATOM 1432 N SER A 98 59.572 4.034 13.265 1.00 0.00 N ATOM 1433 CA SER A 98 59.741 3.050 14.374 1.00 0.00 C ATOM 1434 C SER A 98 61.095 3.279 15.050 1.00 0.00 C ATOM 1435 O SER A 98 61.361 2.618 16.040 1.00 0.00 O ATOM 1436 CB SER A 98 59.688 1.627 13.817 1.00 0.00 C ATOM 1437 OG SER A 98 58.379 1.360 13.327 1.00 0.00 O ATOM 0 H SER A 98 60.423 4.521 12.982 1.00 0.00 H new ATOM 0 HA SER A 98 58.938 3.182 15.099 1.00 0.00 H new ATOM 0 HB2 SER A 98 60.419 1.510 13.017 1.00 0.00 H new ATOM 0 HB3 SER A 98 59.950 0.910 14.595 1.00 0.00 H new ATOM 0 HG SER A 98 57.767 2.064 13.628 1.00 0.00 H new TER 1443 SER A 98