USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 662 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 48 CYS SG : rot 130:sc= 1.24 USER MOD Set 1.2: A 54 SER OG : rot -83:sc= 0.998 USER MOD Set 2.1: A 43 THR OG1 : rot 85:sc= 0.849 USER MOD Set 2.2: A 68 HIS : no HE2:sc= 0.176 K(o=1,f=-0.55) USER MOD Set 3.1: A 17 HIS : no HE2:sc= 1.02 K(o=1.5,f=-2.9!) USER MOD Set 3.2: A 47 TYR OH : rot 118:sc= 0.521 USER MOD Set 4.1: A 12 GLN : amide:sc= 0.631 K(o=3.2,f=-4.4) USER MOD Set 4.2: A 49 ASN : amide:sc= 1.68 K(o=3.2,f=-3.8) USER MOD Set 4.3: A 76 LYS NZ :NH3+ -152:sc= 0.918 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.136 X(o=-0.14,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.822 K(o=0.82,f=0) USER MOD Single : A 15 GLN : amide:sc= 1.01 K(o=1,f=-0.00043) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.82 K(o=0.82,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -172:sc= 1.29 (180deg=1.18) USER MOD Single : A 35 THR OG1 : rot 180:sc=0.000304 USER MOD Single : A 40 LYS NZ :NH3+ -173:sc= 1.22 (180deg=1.14) USER MOD Single : A 41 ASN : amide:sc= -0.106 X(o=-0.11,f=-0.11) USER MOD Single : A 45 LYS NZ :NH3+ 146:sc= 1.24 (180deg=1.06) USER MOD Single : A 53 GLN : amide:sc= 0.855 K(o=0.86,f=0) USER MOD Single : A 56 GLN : amide:sc= 0.413 K(o=0.41,f=-0.16) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 1.25 (180deg=1.25) USER MOD Single : A 62 SER OG : rot 85:sc= 1.27 USER MOD Single : A 64 MET CE :methyl 171:sc= 0 (180deg=-0.101) USER MOD Single : A 66 TYR OH : rot -165:sc= 1.29 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.0253 USER MOD Single : A 71 ASN : amide:sc= -0.127 K(o=-0.13,f=-2.2!) USER MOD Single : A 80 MET CE :methyl -175:sc= 0 (180deg=-0.0217) USER MOD Single : A 82 LYS NZ :NH3+ 173:sc= 2.06 (180deg=1.97) USER MOD Single : A 84 LYS NZ :NH3+ -149:sc= 1.22 (180deg=1.06) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 2.032 -0.050 1.337 1.00 0.00 N ATOM 2 CA ALA A 1 1.650 -0.082 -0.093 1.00 0.00 C ATOM 3 C ALA A 1 2.278 -1.305 -0.776 1.00 0.00 C ATOM 4 O ALA A 1 3.276 -1.182 -1.489 1.00 0.00 O ATOM 5 CB ALA A 1 2.020 1.241 -0.795 1.00 0.00 C ATOM 0 H1 ALA A 1 1.603 0.781 1.792 1.00 0.00 H new ATOM 0 H2 ALA A 1 1.695 -0.915 1.806 1.00 0.00 H new ATOM 0 H3 ALA A 1 3.067 0.007 1.419 1.00 0.00 H new ATOM 0 HA ALA A 1 0.567 -0.180 -0.172 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.728 1.190 -1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 1 1.498 2.067 -0.313 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.096 1.402 -0.725 1.00 0.00 H new ATOM 13 N GLU A 2 1.722 -2.502 -0.561 1.00 0.00 N ATOM 14 CA GLU A 2 2.273 -3.776 -1.018 1.00 0.00 C ATOM 15 C GLU A 2 1.117 -4.770 -1.189 1.00 0.00 C ATOM 16 O GLU A 2 0.173 -4.768 -0.393 1.00 0.00 O ATOM 17 CB GLU A 2 3.272 -4.280 0.045 1.00 0.00 C ATOM 18 CG GLU A 2 3.926 -5.631 -0.285 1.00 0.00 C ATOM 19 CD GLU A 2 4.776 -6.144 0.889 1.00 0.00 C ATOM 20 OE1 GLU A 2 5.955 -5.744 1.011 1.00 0.00 O ATOM 21 OE2 GLU A 2 4.285 -6.987 1.673 1.00 0.00 O ATOM 0 H GLU A 2 0.848 -2.611 -0.047 1.00 0.00 H new ATOM 0 HA GLU A 2 2.790 -3.666 -1.971 1.00 0.00 H new ATOM 0 HB2 GLU A 2 4.055 -3.533 0.172 1.00 0.00 H new ATOM 0 HB3 GLU A 2 2.754 -4.365 1.000 1.00 0.00 H new ATOM 0 HG2 GLU A 2 3.154 -6.362 -0.524 1.00 0.00 H new ATOM 0 HG3 GLU A 2 4.552 -5.527 -1.171 1.00 0.00 H new ATOM 28 N HIS A 3 1.230 -5.641 -2.191 1.00 0.00 N ATOM 29 CA HIS A 3 0.413 -6.827 -2.419 1.00 0.00 C ATOM 30 C HIS A 3 1.362 -7.920 -2.914 1.00 0.00 C ATOM 31 O HIS A 3 2.477 -7.621 -3.344 1.00 0.00 O ATOM 32 CB HIS A 3 -0.663 -6.583 -3.488 1.00 0.00 C ATOM 33 CG HIS A 3 -1.660 -5.501 -3.161 1.00 0.00 C ATOM 34 ND1 HIS A 3 -2.510 -5.452 -2.077 1.00 0.00 N ATOM 35 CD2 HIS A 3 -1.924 -4.400 -3.928 1.00 0.00 C ATOM 36 CE1 HIS A 3 -3.255 -4.340 -2.184 1.00 0.00 C ATOM 37 NE2 HIS A 3 -2.940 -3.663 -3.305 1.00 0.00 N ATOM 0 H HIS A 3 1.943 -5.527 -2.912 1.00 0.00 H new ATOM 0 HA HIS A 3 -0.100 -7.102 -1.497 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -0.169 -6.328 -4.426 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -1.204 -7.514 -3.655 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -1.433 -4.143 -4.855 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -4.004 -4.031 -1.470 1.00 0.00 H new ATOM 0 HE2 HIS A 3 -3.356 -2.792 -3.633 1.00 0.00 H new ATOM 45 N TRP A 4 0.912 -9.172 -2.921 1.00 0.00 N ATOM 46 CA TRP A 4 1.682 -10.295 -3.429 1.00 0.00 C ATOM 47 C TRP A 4 0.755 -11.082 -4.345 1.00 0.00 C ATOM 48 O TRP A 4 -0.337 -11.469 -3.918 1.00 0.00 O ATOM 49 CB TRP A 4 2.143 -11.193 -2.271 1.00 0.00 C ATOM 50 CG TRP A 4 3.178 -10.656 -1.325 1.00 0.00 C ATOM 51 CD1 TRP A 4 3.001 -9.631 -0.462 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.529 -11.156 -1.064 1.00 0.00 C ATOM 53 NE1 TRP A 4 4.139 -9.443 0.289 1.00 0.00 N ATOM 54 CE2 TRP A 4 5.110 -10.370 -0.020 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.317 -12.209 -1.582 1.00 0.00 C ATOM 56 CZ2 TRP A 4 6.399 -10.613 0.478 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.607 -12.468 -1.079 1.00 0.00 C ATOM 58 CH2 TRP A 4 7.151 -11.673 -0.055 1.00 0.00 C ATOM 0 H TRP A 4 -0.009 -9.434 -2.569 1.00 0.00 H new ATOM 0 HA TRP A 4 2.569 -9.947 -3.959 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.263 -11.459 -1.685 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.532 -12.117 -2.700 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.098 -9.045 -0.374 1.00 0.00 H new ATOM 0 HE1 TRP A 4 4.250 -8.708 0.988 1.00 0.00 H new ATOM 0 HE3 TRP A 4 4.923 -12.825 -2.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 6.808 -9.993 1.262 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.184 -13.286 -1.484 1.00 0.00 H new ATOM 0 HH2 TRP A 4 8.143 -11.876 0.320 1.00 0.00 H new ATOM 69 N ILE A 5 1.187 -11.331 -5.578 1.00 0.00 N ATOM 70 CA ILE A 5 0.414 -12.034 -6.586 1.00 0.00 C ATOM 71 C ILE A 5 1.227 -13.267 -6.966 1.00 0.00 C ATOM 72 O ILE A 5 2.333 -13.186 -7.505 1.00 0.00 O ATOM 73 CB ILE A 5 0.083 -11.129 -7.795 1.00 0.00 C ATOM 74 CG1 ILE A 5 -0.528 -9.762 -7.407 1.00 0.00 C ATOM 75 CG2 ILE A 5 -0.856 -11.867 -8.770 1.00 0.00 C ATOM 76 CD1 ILE A 5 -1.897 -9.788 -6.723 1.00 0.00 C ATOM 0 H ILE A 5 2.108 -11.041 -5.908 1.00 0.00 H new ATOM 0 HA ILE A 5 -0.561 -12.333 -6.200 1.00 0.00 H new ATOM 0 HB ILE A 5 1.036 -10.912 -8.278 1.00 0.00 H new ATOM 0 HG12 ILE A 5 0.173 -9.252 -6.746 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -0.611 -9.158 -8.311 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -1.082 -11.220 -9.617 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -0.370 -12.775 -9.126 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -1.781 -12.129 -8.256 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.213 -8.768 -6.503 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.625 -10.259 -7.383 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -1.829 -10.355 -5.794 1.00 0.00 H new ATOM 88 N ASP A 6 0.664 -14.417 -6.637 1.00 0.00 N ATOM 89 CA ASP A 6 1.094 -15.735 -7.053 1.00 0.00 C ATOM 90 C ASP A 6 0.699 -15.873 -8.522 1.00 0.00 C ATOM 91 O ASP A 6 -0.427 -16.278 -8.814 1.00 0.00 O ATOM 92 CB ASP A 6 0.352 -16.734 -6.162 1.00 0.00 C ATOM 93 CG ASP A 6 0.755 -18.195 -6.312 1.00 0.00 C ATOM 94 OD1 ASP A 6 1.691 -18.536 -7.065 1.00 0.00 O ATOM 95 OD2 ASP A 6 0.102 -19.022 -5.636 1.00 0.00 O ATOM 0 H ASP A 6 -0.158 -14.454 -6.034 1.00 0.00 H new ATOM 0 HA ASP A 6 2.166 -15.908 -6.958 1.00 0.00 H new ATOM 0 HB2 ASP A 6 0.501 -16.442 -5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -0.715 -16.650 -6.367 1.00 0.00 H new ATOM 100 N VAL A 7 1.559 -15.446 -9.453 1.00 0.00 N ATOM 101 CA VAL A 7 1.264 -15.428 -10.893 1.00 0.00 C ATOM 102 C VAL A 7 1.245 -16.841 -11.507 1.00 0.00 C ATOM 103 O VAL A 7 1.082 -17.012 -12.719 1.00 0.00 O ATOM 104 CB VAL A 7 2.215 -14.475 -11.651 1.00 0.00 C ATOM 105 CG1 VAL A 7 2.184 -13.048 -11.079 1.00 0.00 C ATOM 106 CG2 VAL A 7 3.674 -14.950 -11.700 1.00 0.00 C ATOM 0 H VAL A 7 2.491 -15.099 -9.227 1.00 0.00 H new ATOM 0 HA VAL A 7 0.254 -15.035 -11.007 1.00 0.00 H new ATOM 0 HB VAL A 7 1.829 -14.477 -12.670 1.00 0.00 H new ATOM 0 HG11 VAL A 7 2.868 -12.415 -11.644 1.00 0.00 H new ATOM 0 HG12 VAL A 7 1.173 -12.648 -11.154 1.00 0.00 H new ATOM 0 HG13 VAL A 7 2.489 -13.069 -10.033 1.00 0.00 H new ATOM 0 HG21 VAL A 7 4.274 -14.225 -12.250 1.00 0.00 H new ATOM 0 HG22 VAL A 7 4.060 -15.046 -10.685 1.00 0.00 H new ATOM 0 HG23 VAL A 7 3.725 -15.917 -12.200 1.00 0.00 H new ATOM 116 N ARG A 8 1.509 -17.853 -10.682 1.00 0.00 N ATOM 117 CA ARG A 8 1.621 -19.265 -11.017 1.00 0.00 C ATOM 118 C ARG A 8 0.277 -19.832 -11.469 1.00 0.00 C ATOM 119 O ARG A 8 -0.782 -19.252 -11.209 1.00 0.00 O ATOM 120 CB ARG A 8 2.053 -19.942 -9.716 1.00 0.00 C ATOM 121 CG ARG A 8 2.567 -21.382 -9.775 1.00 0.00 C ATOM 122 CD ARG A 8 3.114 -21.857 -8.418 1.00 0.00 C ATOM 123 NE ARG A 8 2.373 -21.324 -7.262 1.00 0.00 N ATOM 124 CZ ARG A 8 2.159 -21.947 -6.104 1.00 0.00 C ATOM 125 NH1 ARG A 8 2.743 -23.106 -5.807 1.00 0.00 N ATOM 126 NH2 ARG A 8 1.344 -21.391 -5.236 1.00 0.00 N ATOM 0 H ARG A 8 1.661 -17.691 -9.687 1.00 0.00 H new ATOM 0 HA ARG A 8 2.323 -19.427 -11.835 1.00 0.00 H new ATOM 0 HB2 ARG A 8 2.835 -19.329 -9.268 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.203 -19.922 -9.034 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.759 -22.042 -10.091 1.00 0.00 H new ATOM 0 HG3 ARG A 8 3.352 -21.456 -10.528 1.00 0.00 H new ATOM 0 HD2 ARG A 8 3.086 -22.946 -8.386 1.00 0.00 H new ATOM 0 HD3 ARG A 8 4.160 -21.563 -8.335 1.00 0.00 H new ATOM 0 HE ARG A 8 1.985 -20.385 -7.357 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.377 -23.544 -6.476 1.00 0.00 H new ATOM 0 HH12 ARG A 8 2.557 -23.556 -4.911 1.00 0.00 H new ATOM 0 HH21 ARG A 8 0.893 -20.503 -5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 8 1.163 -21.847 -4.342 1.00 0.00 H new ATOM 140 N VAL A 9 0.326 -21.016 -12.079 1.00 0.00 N ATOM 141 CA VAL A 9 -0.868 -21.783 -12.398 1.00 0.00 C ATOM 142 C VAL A 9 -1.701 -22.063 -11.132 1.00 0.00 C ATOM 143 O VAL A 9 -1.135 -22.268 -10.052 1.00 0.00 O ATOM 144 CB VAL A 9 -0.501 -23.069 -13.174 1.00 0.00 C ATOM 145 CG1 VAL A 9 0.087 -22.723 -14.550 1.00 0.00 C ATOM 146 CG2 VAL A 9 0.484 -23.984 -12.422 1.00 0.00 C ATOM 0 H VAL A 9 1.196 -21.466 -12.364 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.501 -21.189 -13.057 1.00 0.00 H new ATOM 0 HB VAL A 9 -1.435 -23.620 -13.286 1.00 0.00 H new ATOM 0 HG11 VAL A 9 0.339 -23.642 -15.080 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -0.646 -22.160 -15.128 1.00 0.00 H new ATOM 0 HG13 VAL A 9 0.986 -22.121 -14.420 1.00 0.00 H new ATOM 0 HG21 VAL A 9 0.695 -24.866 -13.027 1.00 0.00 H new ATOM 0 HG22 VAL A 9 1.411 -23.443 -12.233 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.043 -24.291 -11.474 1.00 0.00 H new ATOM 156 N PRO A 10 -3.041 -22.108 -11.245 1.00 0.00 N ATOM 157 CA PRO A 10 -3.921 -22.187 -10.086 1.00 0.00 C ATOM 158 C PRO A 10 -3.893 -23.566 -9.417 1.00 0.00 C ATOM 159 O PRO A 10 -4.277 -23.698 -8.255 1.00 0.00 O ATOM 160 CB PRO A 10 -5.311 -21.835 -10.620 1.00 0.00 C ATOM 161 CG PRO A 10 -5.267 -22.311 -12.068 1.00 0.00 C ATOM 162 CD PRO A 10 -3.829 -21.991 -12.468 1.00 0.00 C ATOM 0 HA PRO A 10 -3.603 -21.503 -9.299 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.097 -22.338 -10.056 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.507 -20.765 -10.555 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -5.486 -23.375 -12.154 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.990 -21.785 -12.692 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -3.472 -22.683 -13.231 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -3.754 -20.988 -12.887 1.00 0.00 H new ATOM 170 N GLU A 11 -3.453 -24.608 -10.126 1.00 0.00 N ATOM 171 CA GLU A 11 -3.388 -25.966 -9.593 1.00 0.00 C ATOM 172 C GLU A 11 -2.390 -26.047 -8.433 1.00 0.00 C ATOM 173 O GLU A 11 -2.674 -26.697 -7.427 1.00 0.00 O ATOM 174 CB GLU A 11 -3.003 -26.953 -10.707 1.00 0.00 C ATOM 175 CG GLU A 11 -4.077 -27.039 -11.802 1.00 0.00 C ATOM 176 CD GLU A 11 -3.721 -28.098 -12.860 1.00 0.00 C ATOM 177 OE1 GLU A 11 -4.115 -29.277 -12.707 1.00 0.00 O ATOM 178 OE2 GLU A 11 -3.059 -27.763 -13.869 1.00 0.00 O ATOM 0 H GLU A 11 -3.131 -24.530 -11.091 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.373 -26.236 -9.211 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.057 -26.645 -11.152 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.846 -27.942 -10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.039 -27.283 -11.351 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -4.187 -26.067 -12.282 1.00 0.00 H new ATOM 185 N GLN A 12 -1.243 -25.361 -8.535 1.00 0.00 N ATOM 186 CA GLN A 12 -0.235 -25.387 -7.479 1.00 0.00 C ATOM 187 C GLN A 12 -0.624 -24.445 -6.330 1.00 0.00 C ATOM 188 O GLN A 12 -0.315 -24.730 -5.173 1.00 0.00 O ATOM 189 CB GLN A 12 1.143 -25.025 -8.043 1.00 0.00 C ATOM 190 CG GLN A 12 1.682 -26.016 -9.087 1.00 0.00 C ATOM 191 CD GLN A 12 3.106 -25.665 -9.536 1.00 0.00 C ATOM 192 OE1 GLN A 12 3.938 -25.207 -8.753 1.00 0.00 O ATOM 193 NE2 GLN A 12 3.423 -25.851 -10.806 1.00 0.00 N ATOM 0 H GLN A 12 -0.995 -24.784 -9.339 1.00 0.00 H new ATOM 0 HA GLN A 12 -0.183 -26.399 -7.078 1.00 0.00 H new ATOM 0 HB2 GLN A 12 1.089 -24.034 -8.494 1.00 0.00 H new ATOM 0 HB3 GLN A 12 1.854 -24.961 -7.219 1.00 0.00 H new ATOM 0 HG2 GLN A 12 1.672 -27.023 -8.669 1.00 0.00 H new ATOM 0 HG3 GLN A 12 1.021 -26.024 -9.954 1.00 0.00 H new ATOM 0 HE21 GLN A 12 2.732 -26.231 -11.454 1.00 0.00 H new ATOM 0 HE22 GLN A 12 4.358 -25.615 -11.138 1.00 0.00 H new ATOM 202 N TYR A 13 -1.342 -23.354 -6.623 1.00 0.00 N ATOM 203 CA TYR A 13 -1.961 -22.501 -5.606 1.00 0.00 C ATOM 204 C TYR A 13 -2.856 -23.336 -4.682 1.00 0.00 C ATOM 205 O TYR A 13 -2.797 -23.180 -3.463 1.00 0.00 O ATOM 206 CB TYR A 13 -2.727 -21.357 -6.292 1.00 0.00 C ATOM 207 CG TYR A 13 -3.973 -20.861 -5.576 1.00 0.00 C ATOM 208 CD1 TYR A 13 -3.863 -20.224 -4.328 1.00 0.00 C ATOM 209 CD2 TYR A 13 -5.245 -21.035 -6.157 1.00 0.00 C ATOM 210 CE1 TYR A 13 -5.007 -19.752 -3.663 1.00 0.00 C ATOM 211 CE2 TYR A 13 -6.398 -20.572 -5.498 1.00 0.00 C ATOM 212 CZ TYR A 13 -6.283 -19.924 -4.245 1.00 0.00 C ATOM 213 OH TYR A 13 -7.389 -19.465 -3.592 1.00 0.00 O ATOM 0 H TYR A 13 -1.510 -23.038 -7.578 1.00 0.00 H new ATOM 0 HA TYR A 13 -1.191 -22.053 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.046 -20.515 -6.418 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.014 -21.687 -7.291 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -2.890 -20.096 -3.876 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -5.335 -21.527 -7.114 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -4.911 -19.258 -2.707 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -7.370 -20.711 -5.948 1.00 0.00 H new ATOM 0 HH TYR A 13 -8.188 -19.660 -4.125 1.00 0.00 H new ATOM 223 N GLN A 14 -3.619 -24.279 -5.244 1.00 0.00 N ATOM 224 CA GLN A 14 -4.480 -25.199 -4.500 1.00 0.00 C ATOM 225 C GLN A 14 -3.684 -26.319 -3.795 1.00 0.00 C ATOM 226 O GLN A 14 -4.264 -27.346 -3.435 1.00 0.00 O ATOM 227 CB GLN A 14 -5.553 -25.752 -5.458 1.00 0.00 C ATOM 228 CG GLN A 14 -6.552 -24.667 -5.891 1.00 0.00 C ATOM 229 CD GLN A 14 -7.395 -25.130 -7.078 1.00 0.00 C ATOM 230 OE1 GLN A 14 -8.479 -25.688 -6.924 1.00 0.00 O ATOM 231 NE2 GLN A 14 -6.904 -24.915 -8.288 1.00 0.00 N ATOM 0 H GLN A 14 -3.655 -24.426 -6.253 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.968 -24.653 -3.693 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -5.070 -26.173 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.090 -26.566 -4.970 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.205 -24.416 -5.055 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -6.012 -23.758 -6.158 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -6.003 -24.450 -8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -7.427 -25.214 -9.111 1.00 0.00 H new ATOM 240 N GLN A 15 -2.367 -26.168 -3.606 1.00 0.00 N ATOM 241 CA GLN A 15 -1.516 -27.103 -2.872 1.00 0.00 C ATOM 242 C GLN A 15 -0.634 -26.362 -1.866 1.00 0.00 C ATOM 243 O GLN A 15 -0.441 -26.861 -0.757 1.00 0.00 O ATOM 244 CB GLN A 15 -0.657 -27.937 -3.842 1.00 0.00 C ATOM 245 CG GLN A 15 -1.454 -28.896 -4.744 1.00 0.00 C ATOM 246 CD GLN A 15 -2.022 -30.093 -3.977 1.00 0.00 C ATOM 247 OE1 GLN A 15 -1.387 -31.140 -3.871 1.00 0.00 O ATOM 248 NE2 GLN A 15 -3.218 -29.978 -3.424 1.00 0.00 N ATOM 0 H GLN A 15 -1.852 -25.367 -3.972 1.00 0.00 H new ATOM 0 HA GLN A 15 -2.162 -27.785 -2.318 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -0.083 -27.258 -4.473 1.00 0.00 H new ATOM 0 HB3 GLN A 15 0.061 -28.517 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -2.272 -28.350 -5.215 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -0.808 -29.256 -5.545 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -3.740 -29.107 -3.515 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -3.618 -30.761 -2.906 1.00 0.00 H new ATOM 257 N GLU A 16 -0.146 -25.167 -2.197 1.00 0.00 N ATOM 258 CA GLU A 16 0.620 -24.315 -1.293 1.00 0.00 C ATOM 259 C GLU A 16 0.481 -22.867 -1.764 1.00 0.00 C ATOM 260 O GLU A 16 0.458 -22.629 -2.970 1.00 0.00 O ATOM 261 CB GLU A 16 2.088 -24.773 -1.303 1.00 0.00 C ATOM 262 CG GLU A 16 2.974 -24.020 -0.299 1.00 0.00 C ATOM 263 CD GLU A 16 4.368 -24.657 -0.187 1.00 0.00 C ATOM 264 OE1 GLU A 16 4.453 -25.857 0.157 1.00 0.00 O ATOM 265 OE2 GLU A 16 5.379 -23.947 -0.391 1.00 0.00 O ATOM 0 H GLU A 16 -0.276 -24.757 -3.122 1.00 0.00 H new ATOM 0 HA GLU A 16 0.249 -24.387 -0.271 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.129 -25.840 -1.082 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.495 -24.639 -2.305 1.00 0.00 H new ATOM 0 HG2 GLU A 16 3.072 -22.980 -0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.495 -24.017 0.680 1.00 0.00 H new ATOM 272 N HIS A 17 0.415 -21.899 -0.848 1.00 0.00 N ATOM 273 CA HIS A 17 0.297 -20.473 -1.157 1.00 0.00 C ATOM 274 C HIS A 17 0.899 -19.686 0.010 1.00 0.00 C ATOM 275 O HIS A 17 0.916 -20.186 1.136 1.00 0.00 O ATOM 276 CB HIS A 17 -1.188 -20.133 -1.348 1.00 0.00 C ATOM 277 CG HIS A 17 -1.489 -18.781 -1.943 1.00 0.00 C ATOM 278 ND1 HIS A 17 -1.133 -18.319 -3.193 1.00 0.00 N ATOM 279 CD2 HIS A 17 -2.338 -17.852 -1.402 1.00 0.00 C ATOM 280 CE1 HIS A 17 -1.749 -17.145 -3.385 1.00 0.00 C ATOM 281 NE2 HIS A 17 -2.504 -16.815 -2.326 1.00 0.00 N ATOM 0 H HIS A 17 0.443 -22.090 0.154 1.00 0.00 H new ATOM 0 HA HIS A 17 0.829 -20.216 -2.073 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -1.635 -20.895 -1.986 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -1.682 -20.199 -0.379 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -0.512 -18.787 -3.853 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -2.801 -17.910 -0.428 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -1.651 -16.543 -4.276 1.00 0.00 H new ATOM 289 N VAL A 18 1.391 -18.468 -0.218 1.00 0.00 N ATOM 290 CA VAL A 18 1.780 -17.578 0.878 1.00 0.00 C ATOM 291 C VAL A 18 0.496 -17.190 1.635 1.00 0.00 C ATOM 292 O VAL A 18 -0.573 -17.054 1.038 1.00 0.00 O ATOM 293 CB VAL A 18 2.590 -16.380 0.332 1.00 0.00 C ATOM 294 CG1 VAL A 18 2.987 -15.366 1.416 1.00 0.00 C ATOM 295 CG2 VAL A 18 3.892 -16.868 -0.326 1.00 0.00 C ATOM 0 H VAL A 18 1.530 -18.075 -1.149 1.00 0.00 H new ATOM 0 HA VAL A 18 2.449 -18.065 1.587 1.00 0.00 H new ATOM 0 HB VAL A 18 1.931 -15.889 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.553 -14.552 0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.089 -14.966 1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.601 -15.860 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.451 -16.012 -0.705 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.496 -17.398 0.411 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.653 -17.540 -1.150 1.00 0.00 H new ATOM 305 N GLN A 19 0.590 -17.031 2.959 1.00 0.00 N ATOM 306 CA GLN A 19 -0.559 -16.846 3.850 1.00 0.00 C ATOM 307 C GLN A 19 -1.336 -15.546 3.558 1.00 0.00 C ATOM 308 O GLN A 19 -2.522 -15.459 3.882 1.00 0.00 O ATOM 309 CB GLN A 19 -0.033 -16.891 5.297 1.00 0.00 C ATOM 310 CG GLN A 19 -1.119 -16.858 6.382 1.00 0.00 C ATOM 311 CD GLN A 19 -0.516 -17.093 7.768 1.00 0.00 C ATOM 312 OE1 GLN A 19 -0.449 -18.219 8.254 1.00 0.00 O ATOM 313 NE2 GLN A 19 -0.051 -16.046 8.433 1.00 0.00 N ATOM 0 H GLN A 19 1.484 -17.027 3.450 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.282 -17.645 3.685 1.00 0.00 H new ATOM 0 HB2 GLN A 19 0.560 -17.797 5.424 1.00 0.00 H new ATOM 0 HB3 GLN A 19 0.639 -16.046 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.629 -15.895 6.362 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.869 -17.621 6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.110 -15.114 8.023 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.366 -16.172 9.355 1.00 0.00 H new ATOM 322 N GLY A 20 -0.692 -14.545 2.948 1.00 0.00 N ATOM 323 CA GLY A 20 -1.233 -13.207 2.726 1.00 0.00 C ATOM 324 C GLY A 20 -0.940 -12.753 1.300 1.00 0.00 C ATOM 325 O GLY A 20 -0.176 -11.808 1.095 1.00 0.00 O ATOM 0 H GLY A 20 0.255 -14.652 2.583 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.309 -13.207 2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.794 -12.506 3.436 1.00 0.00 H new ATOM 329 N ALA A 21 -1.498 -13.467 0.320 1.00 0.00 N ATOM 330 CA ALA A 21 -1.304 -13.242 -1.108 1.00 0.00 C ATOM 331 C ALA A 21 -2.624 -13.466 -1.861 1.00 0.00 C ATOM 332 O ALA A 21 -3.625 -13.880 -1.269 1.00 0.00 O ATOM 333 CB ALA A 21 -0.210 -14.196 -1.606 1.00 0.00 C ATOM 0 H ALA A 21 -2.123 -14.250 0.511 1.00 0.00 H new ATOM 0 HA ALA A 21 -0.992 -12.214 -1.291 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.051 -14.042 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.718 -13.998 -1.069 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -0.518 -15.227 -1.430 1.00 0.00 H new ATOM 339 N ILE A 22 -2.608 -13.201 -3.170 1.00 0.00 N ATOM 340 CA ILE A 22 -3.680 -13.503 -4.117 1.00 0.00 C ATOM 341 C ILE A 22 -3.075 -14.472 -5.138 1.00 0.00 C ATOM 342 O ILE A 22 -1.878 -14.384 -5.416 1.00 0.00 O ATOM 343 CB ILE A 22 -4.169 -12.225 -4.859 1.00 0.00 C ATOM 344 CG1 ILE A 22 -4.096 -10.891 -4.075 1.00 0.00 C ATOM 345 CG2 ILE A 22 -5.590 -12.430 -5.418 1.00 0.00 C ATOM 346 CD1 ILE A 22 -5.025 -10.783 -2.858 1.00 0.00 C ATOM 0 H ILE A 22 -1.810 -12.749 -3.617 1.00 0.00 H new ATOM 0 HA ILE A 22 -4.540 -13.921 -3.594 1.00 0.00 H new ATOM 0 HB ILE A 22 -3.442 -12.105 -5.662 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -3.069 -10.744 -3.740 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.328 -10.075 -4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.913 -11.525 -5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.588 -13.265 -6.119 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.276 -12.645 -4.599 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -4.892 -9.810 -2.384 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.061 -10.892 -3.180 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -4.783 -11.570 -2.144 1.00 0.00 H new ATOM 358 N ASN A 23 -3.877 -15.346 -5.750 1.00 0.00 N ATOM 359 CA ASN A 23 -3.454 -16.128 -6.912 1.00 0.00 C ATOM 360 C ASN A 23 -4.320 -15.724 -8.083 1.00 0.00 C ATOM 361 O ASN A 23 -5.549 -15.741 -7.996 1.00 0.00 O ATOM 362 CB ASN A 23 -3.539 -17.647 -6.700 1.00 0.00 C ATOM 363 CG ASN A 23 -3.414 -18.405 -8.031 1.00 0.00 C ATOM 364 OD1 ASN A 23 -4.366 -19.022 -8.494 1.00 0.00 O ATOM 365 ND2 ASN A 23 -2.275 -18.347 -8.703 1.00 0.00 N ATOM 0 H ASN A 23 -4.836 -15.531 -5.454 1.00 0.00 H new ATOM 0 HA ASN A 23 -2.401 -15.913 -7.093 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -2.748 -17.966 -6.022 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -4.487 -17.897 -6.224 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -2.191 -18.816 -9.605 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -1.482 -17.834 -8.319 1.00 0.00 H new ATOM 372 N ILE A 24 -3.651 -15.376 -9.174 1.00 0.00 N ATOM 373 CA ILE A 24 -4.248 -15.106 -10.464 1.00 0.00 C ATOM 374 C ILE A 24 -3.185 -15.620 -11.441 1.00 0.00 C ATOM 375 O ILE A 24 -2.032 -15.212 -11.301 1.00 0.00 O ATOM 376 CB ILE A 24 -4.517 -13.589 -10.662 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.177 -12.862 -9.468 1.00 0.00 C ATOM 378 CG2 ILE A 24 -5.323 -13.418 -11.949 1.00 0.00 C ATOM 379 CD1 ILE A 24 -5.296 -11.340 -9.636 1.00 0.00 C ATOM 0 H ILE A 24 -2.636 -15.271 -9.179 1.00 0.00 H new ATOM 0 HA ILE A 24 -5.221 -15.580 -10.596 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.546 -13.099 -10.734 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.173 -13.277 -9.312 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -4.600 -13.071 -8.567 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.527 -12.360 -12.113 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.753 -13.813 -12.790 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.265 -13.960 -11.863 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.770 -10.912 -8.753 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.303 -10.909 -9.759 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.900 -11.117 -10.516 1.00 0.00 H new ATOM 391 N PRO A 25 -3.498 -16.509 -12.396 1.00 0.00 N ATOM 392 CA PRO A 25 -2.498 -16.971 -13.348 1.00 0.00 C ATOM 393 C PRO A 25 -2.078 -15.799 -14.241 1.00 0.00 C ATOM 394 O PRO A 25 -2.899 -14.936 -14.558 1.00 0.00 O ATOM 395 CB PRO A 25 -3.171 -18.118 -14.105 1.00 0.00 C ATOM 396 CG PRO A 25 -4.660 -17.774 -14.039 1.00 0.00 C ATOM 397 CD PRO A 25 -4.801 -17.090 -12.679 1.00 0.00 C ATOM 0 HA PRO A 25 -1.577 -17.331 -12.890 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -2.820 -18.178 -15.135 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -2.962 -19.081 -13.640 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.957 -17.114 -14.854 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -5.283 -18.666 -14.108 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.575 -16.323 -12.705 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -5.087 -17.806 -11.908 1.00 0.00 H new ATOM 405 N LEU A 26 -0.809 -15.761 -14.659 1.00 0.00 N ATOM 406 CA LEU A 26 -0.199 -14.613 -15.343 1.00 0.00 C ATOM 407 C LEU A 26 -1.010 -14.118 -16.553 1.00 0.00 C ATOM 408 O LEU A 26 -1.116 -12.910 -16.773 1.00 0.00 O ATOM 409 CB LEU A 26 1.248 -14.976 -15.730 1.00 0.00 C ATOM 410 CG LEU A 26 2.075 -13.838 -16.368 1.00 0.00 C ATOM 411 CD1 LEU A 26 2.070 -12.550 -15.536 1.00 0.00 C ATOM 412 CD2 LEU A 26 3.526 -14.313 -16.531 1.00 0.00 C ATOM 0 H LEU A 26 -0.164 -16.541 -14.530 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.195 -13.771 -14.651 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.768 -15.322 -14.837 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.219 -15.814 -16.426 1.00 0.00 H new ATOM 0 HG LEU A 26 1.616 -13.605 -17.329 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.668 -11.790 -16.038 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.046 -12.192 -15.426 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.492 -12.751 -14.551 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.121 -13.518 -16.981 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.938 -14.566 -15.554 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.551 -15.193 -17.174 1.00 0.00 H new ATOM 424 N LYS A 27 -1.632 -15.030 -17.307 1.00 0.00 N ATOM 425 CA LYS A 27 -2.488 -14.683 -18.441 1.00 0.00 C ATOM 426 C LYS A 27 -3.680 -13.812 -18.033 1.00 0.00 C ATOM 427 O LYS A 27 -4.086 -12.949 -18.811 1.00 0.00 O ATOM 428 CB LYS A 27 -2.929 -15.953 -19.194 1.00 0.00 C ATOM 429 CG LYS A 27 -3.856 -16.889 -18.395 1.00 0.00 C ATOM 430 CD LYS A 27 -4.137 -18.179 -19.181 1.00 0.00 C ATOM 431 CE LYS A 27 -5.056 -19.151 -18.421 1.00 0.00 C ATOM 432 NZ LYS A 27 -6.465 -18.683 -18.344 1.00 0.00 N ATOM 0 H LYS A 27 -1.554 -16.034 -17.145 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.896 -14.074 -19.124 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.438 -15.656 -20.111 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.040 -16.510 -19.489 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.396 -17.134 -17.438 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.794 -16.379 -18.176 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.596 -17.924 -20.137 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.193 -18.677 -19.403 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.029 -20.125 -18.911 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.670 -19.291 -17.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.034 -19.379 -17.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -6.500 -17.767 -17.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -6.848 -18.575 -19.305 1.00 0.00 H new ATOM 446 N GLU A 28 -4.236 -14.009 -16.832 1.00 0.00 N ATOM 447 CA GLU A 28 -5.293 -13.159 -16.300 1.00 0.00 C ATOM 448 C GLU A 28 -4.701 -11.901 -15.683 1.00 0.00 C ATOM 449 O GLU A 28 -5.289 -10.838 -15.851 1.00 0.00 O ATOM 450 CB GLU A 28 -6.138 -13.896 -15.246 1.00 0.00 C ATOM 451 CG GLU A 28 -7.510 -14.299 -15.791 1.00 0.00 C ATOM 452 CD GLU A 28 -8.328 -15.074 -14.743 1.00 0.00 C ATOM 453 OE1 GLU A 28 -8.653 -14.498 -13.680 1.00 0.00 O ATOM 454 OE2 GLU A 28 -8.670 -16.253 -14.990 1.00 0.00 O ATOM 0 H GLU A 28 -3.961 -14.765 -16.205 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.942 -12.889 -17.133 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.605 -14.786 -14.912 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.268 -13.256 -14.373 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.058 -13.407 -16.095 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.382 -14.914 -16.682 1.00 0.00 H new ATOM 461 N VAL A 29 -3.556 -11.990 -14.996 1.00 0.00 N ATOM 462 CA VAL A 29 -2.931 -10.855 -14.300 1.00 0.00 C ATOM 463 C VAL A 29 -2.831 -9.645 -15.229 1.00 0.00 C ATOM 464 O VAL A 29 -3.148 -8.538 -14.806 1.00 0.00 O ATOM 465 CB VAL A 29 -1.552 -11.259 -13.730 1.00 0.00 C ATOM 466 CG1 VAL A 29 -0.727 -10.092 -13.166 1.00 0.00 C ATOM 467 CG2 VAL A 29 -1.714 -12.273 -12.597 1.00 0.00 C ATOM 0 H VAL A 29 -3.031 -12.860 -14.906 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.561 -10.569 -13.458 1.00 0.00 H new ATOM 0 HB VAL A 29 -1.018 -11.673 -14.586 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.224 -10.468 -12.788 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.542 -9.363 -13.955 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.277 -9.616 -12.354 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.732 -12.545 -12.209 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -2.311 -11.833 -11.798 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.214 -13.164 -12.975 1.00 0.00 H new ATOM 477 N LYS A 30 -2.478 -9.849 -16.501 1.00 0.00 N ATOM 478 CA LYS A 30 -2.293 -8.775 -17.479 1.00 0.00 C ATOM 479 C LYS A 30 -3.562 -7.980 -17.813 1.00 0.00 C ATOM 480 O LYS A 30 -3.493 -7.027 -18.587 1.00 0.00 O ATOM 481 CB LYS A 30 -1.601 -9.364 -18.727 1.00 0.00 C ATOM 482 CG LYS A 30 -0.349 -8.578 -19.146 1.00 0.00 C ATOM 483 CD LYS A 30 -0.591 -7.469 -20.182 1.00 0.00 C ATOM 484 CE LYS A 30 0.767 -6.907 -20.633 1.00 0.00 C ATOM 485 NZ LYS A 30 0.661 -5.955 -21.765 1.00 0.00 N ATOM 0 H LYS A 30 -2.310 -10.779 -16.885 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.653 -8.019 -17.025 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -1.324 -10.399 -18.527 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -2.309 -9.378 -19.556 1.00 0.00 H new ATOM 0 HG2 LYS A 30 0.095 -8.132 -18.256 1.00 0.00 H new ATOM 0 HG3 LYS A 30 0.382 -9.278 -19.550 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.138 -7.865 -21.037 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.203 -6.677 -19.751 1.00 0.00 H new ATOM 0 HE2 LYS A 30 1.243 -6.407 -19.790 1.00 0.00 H new ATOM 0 HE3 LYS A 30 1.417 -7.733 -20.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 1.613 -5.717 -22.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.113 -6.390 -22.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 0.182 -5.089 -21.446 1.00 0.00 H new ATOM 499 N GLU A 31 -4.710 -8.327 -17.237 1.00 0.00 N ATOM 500 CA GLU A 31 -5.918 -7.524 -17.265 1.00 0.00 C ATOM 501 C GLU A 31 -6.439 -7.380 -15.832 1.00 0.00 C ATOM 502 O GLU A 31 -6.709 -6.274 -15.370 1.00 0.00 O ATOM 503 CB GLU A 31 -6.929 -8.191 -18.210 1.00 0.00 C ATOM 504 CG GLU A 31 -8.251 -7.422 -18.252 1.00 0.00 C ATOM 505 CD GLU A 31 -9.218 -8.003 -19.299 1.00 0.00 C ATOM 506 OE1 GLU A 31 -10.017 -8.907 -18.965 1.00 0.00 O ATOM 507 OE2 GLU A 31 -9.206 -7.547 -20.466 1.00 0.00 O ATOM 0 H GLU A 31 -4.823 -9.201 -16.724 1.00 0.00 H new ATOM 0 HA GLU A 31 -5.732 -6.520 -17.647 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.508 -8.247 -19.214 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.113 -9.215 -17.884 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -8.720 -7.452 -17.268 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -8.055 -6.374 -18.480 1.00 0.00 H new ATOM 514 N ARG A 32 -6.523 -8.489 -15.099 1.00 0.00 N ATOM 515 CA ARG A 32 -7.140 -8.569 -13.782 1.00 0.00 C ATOM 516 C ARG A 32 -6.364 -7.801 -12.716 1.00 0.00 C ATOM 517 O ARG A 32 -6.967 -7.425 -11.712 1.00 0.00 O ATOM 518 CB ARG A 32 -7.346 -10.047 -13.411 1.00 0.00 C ATOM 519 CG ARG A 32 -8.284 -10.223 -12.207 1.00 0.00 C ATOM 520 CD ARG A 32 -8.702 -11.691 -12.071 1.00 0.00 C ATOM 521 NE ARG A 32 -9.297 -11.978 -10.756 1.00 0.00 N ATOM 522 CZ ARG A 32 -9.550 -13.203 -10.276 1.00 0.00 C ATOM 523 NH1 ARG A 32 -9.341 -14.286 -11.020 1.00 0.00 N ATOM 524 NH2 ARG A 32 -10.014 -13.339 -9.037 1.00 0.00 N ATOM 0 H ARG A 32 -6.151 -9.383 -15.418 1.00 0.00 H new ATOM 0 HA ARG A 32 -8.112 -8.078 -13.825 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -7.756 -10.580 -14.269 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -6.381 -10.500 -13.185 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.784 -9.894 -11.296 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -9.167 -9.596 -12.330 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.419 -11.937 -12.854 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -7.832 -12.331 -12.222 1.00 0.00 H new ATOM 0 HE ARG A 32 -9.535 -11.182 -10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.983 -14.191 -11.970 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -9.539 -15.212 -10.640 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -10.175 -12.514 -8.459 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -10.209 -14.268 -8.665 1.00 0.00 H new ATOM 538 N ILE A 33 -5.070 -7.511 -12.903 1.00 0.00 N ATOM 539 CA ILE A 33 -4.367 -6.641 -11.959 1.00 0.00 C ATOM 540 C ILE A 33 -5.040 -5.267 -11.927 1.00 0.00 C ATOM 541 O ILE A 33 -5.139 -4.685 -10.853 1.00 0.00 O ATOM 542 CB ILE A 33 -2.846 -6.543 -12.228 1.00 0.00 C ATOM 543 CG1 ILE A 33 -2.092 -5.935 -11.016 1.00 0.00 C ATOM 544 CG2 ILE A 33 -2.525 -5.745 -13.503 1.00 0.00 C ATOM 545 CD1 ILE A 33 -1.937 -6.936 -9.864 1.00 0.00 C ATOM 0 H ILE A 33 -4.504 -7.856 -13.678 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.445 -7.095 -10.971 1.00 0.00 H new ATOM 0 HB ILE A 33 -2.499 -7.565 -12.380 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.106 -5.598 -11.336 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.630 -5.056 -10.660 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.445 -5.706 -13.646 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.987 -6.231 -14.362 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.915 -4.732 -13.406 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.403 -6.463 -9.040 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -2.922 -7.254 -9.523 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.375 -7.804 -10.209 1.00 0.00 H new ATOM 557 N ALA A 34 -5.577 -4.773 -13.051 1.00 0.00 N ATOM 558 CA ALA A 34 -6.301 -3.505 -13.047 1.00 0.00 C ATOM 559 C ALA A 34 -7.529 -3.556 -12.129 1.00 0.00 C ATOM 560 O ALA A 34 -7.882 -2.552 -11.514 1.00 0.00 O ATOM 561 CB ALA A 34 -6.708 -3.118 -14.472 1.00 0.00 C ATOM 0 H ALA A 34 -5.522 -5.229 -13.962 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.630 -2.742 -12.653 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.247 -2.171 -14.452 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -5.816 -3.015 -15.090 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.351 -3.892 -14.890 1.00 0.00 H new ATOM 567 N THR A 35 -8.169 -4.720 -12.021 1.00 0.00 N ATOM 568 CA THR A 35 -9.308 -4.950 -11.143 1.00 0.00 C ATOM 569 C THR A 35 -8.846 -5.050 -9.681 1.00 0.00 C ATOM 570 O THR A 35 -9.471 -4.475 -8.788 1.00 0.00 O ATOM 571 CB THR A 35 -10.028 -6.241 -11.595 1.00 0.00 C ATOM 572 OG1 THR A 35 -10.033 -6.365 -13.010 1.00 0.00 O ATOM 573 CG2 THR A 35 -11.471 -6.315 -11.090 1.00 0.00 C ATOM 0 H THR A 35 -7.901 -5.546 -12.556 1.00 0.00 H new ATOM 0 HA THR A 35 -10.004 -4.113 -11.206 1.00 0.00 H new ATOM 0 HB THR A 35 -9.463 -7.063 -11.156 1.00 0.00 H new ATOM 0 HG1 THR A 35 -10.494 -7.192 -13.264 1.00 0.00 H new ATOM 0 HG21 THR A 35 -11.930 -7.241 -11.436 1.00 0.00 H new ATOM 0 HG22 THR A 35 -11.477 -6.292 -10.000 1.00 0.00 H new ATOM 0 HG23 THR A 35 -12.035 -5.465 -11.474 1.00 0.00 H new ATOM 581 N ALA A 36 -7.753 -5.779 -9.435 1.00 0.00 N ATOM 582 CA ALA A 36 -7.294 -6.131 -8.092 1.00 0.00 C ATOM 583 C ALA A 36 -6.499 -4.999 -7.427 1.00 0.00 C ATOM 584 O ALA A 36 -6.553 -4.840 -6.207 1.00 0.00 O ATOM 585 CB ALA A 36 -6.432 -7.396 -8.179 1.00 0.00 C ATOM 0 H ALA A 36 -7.155 -6.145 -10.176 1.00 0.00 H new ATOM 0 HA ALA A 36 -8.172 -6.307 -7.471 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.084 -7.668 -7.183 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.025 -8.212 -8.592 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -5.574 -7.208 -8.824 1.00 0.00 H new ATOM 591 N VAL A 37 -5.763 -4.227 -8.224 1.00 0.00 N ATOM 592 CA VAL A 37 -4.809 -3.206 -7.812 1.00 0.00 C ATOM 593 C VAL A 37 -4.933 -2.035 -8.807 1.00 0.00 C ATOM 594 O VAL A 37 -4.054 -1.837 -9.650 1.00 0.00 O ATOM 595 CB VAL A 37 -3.372 -3.784 -7.744 1.00 0.00 C ATOM 596 CG1 VAL A 37 -2.442 -2.784 -7.045 1.00 0.00 C ATOM 597 CG2 VAL A 37 -3.271 -5.141 -7.030 1.00 0.00 C ATOM 0 H VAL A 37 -5.823 -4.305 -9.239 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.027 -2.849 -6.806 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.071 -3.951 -8.778 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.434 -3.195 -7.000 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.428 -1.848 -7.604 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -2.803 -2.597 -6.034 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.233 -5.474 -7.026 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.623 -5.039 -6.003 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.885 -5.874 -7.553 1.00 0.00 H new ATOM 607 N PRO A 38 -6.038 -1.270 -8.779 1.00 0.00 N ATOM 608 CA PRO A 38 -6.212 -0.134 -9.675 1.00 0.00 C ATOM 609 C PRO A 38 -5.209 0.991 -9.372 1.00 0.00 C ATOM 610 O PRO A 38 -4.824 1.726 -10.284 1.00 0.00 O ATOM 611 CB PRO A 38 -7.664 0.321 -9.486 1.00 0.00 C ATOM 612 CG PRO A 38 -8.028 -0.173 -8.086 1.00 0.00 C ATOM 613 CD PRO A 38 -7.208 -1.454 -7.939 1.00 0.00 C ATOM 0 HA PRO A 38 -6.018 -0.410 -10.711 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -7.756 1.404 -9.563 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -8.319 -0.109 -10.244 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.770 0.560 -7.321 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.097 -0.367 -7.993 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.922 -1.619 -6.900 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.783 -2.325 -8.254 1.00 0.00 H new ATOM 621 N ASP A 39 -4.774 1.135 -8.113 1.00 0.00 N ATOM 622 CA ASP A 39 -3.735 2.088 -7.732 1.00 0.00 C ATOM 623 C ASP A 39 -2.364 1.501 -8.066 1.00 0.00 C ATOM 624 O ASP A 39 -1.816 0.692 -7.315 1.00 0.00 O ATOM 625 CB ASP A 39 -3.818 2.464 -6.247 1.00 0.00 C ATOM 626 CG ASP A 39 -2.683 3.423 -5.832 1.00 0.00 C ATOM 627 OD1 ASP A 39 -1.984 3.981 -6.709 1.00 0.00 O ATOM 628 OD2 ASP A 39 -2.515 3.654 -4.613 1.00 0.00 O ATOM 0 H ASP A 39 -5.137 0.590 -7.331 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.888 3.006 -8.299 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -4.781 2.932 -6.044 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.769 1.560 -5.640 1.00 0.00 H new ATOM 633 N LYS A 40 -1.804 1.916 -9.204 1.00 0.00 N ATOM 634 CA LYS A 40 -0.512 1.449 -9.703 1.00 0.00 C ATOM 635 C LYS A 40 0.659 1.693 -8.741 1.00 0.00 C ATOM 636 O LYS A 40 1.714 1.087 -8.940 1.00 0.00 O ATOM 637 CB LYS A 40 -0.250 2.082 -11.081 1.00 0.00 C ATOM 638 CG LYS A 40 -1.188 1.483 -12.144 1.00 0.00 C ATOM 639 CD LYS A 40 -0.782 1.863 -13.573 1.00 0.00 C ATOM 640 CE LYS A 40 -1.800 1.276 -14.562 1.00 0.00 C ATOM 641 NZ LYS A 40 -1.426 1.531 -15.974 1.00 0.00 N ATOM 0 H LYS A 40 -2.247 2.601 -9.817 1.00 0.00 H new ATOM 0 HA LYS A 40 -0.572 0.364 -9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -0.398 3.160 -11.025 1.00 0.00 H new ATOM 0 HB3 LYS A 40 0.788 1.917 -11.371 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.192 0.397 -12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -2.206 1.823 -11.957 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -0.741 2.947 -13.676 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.216 1.484 -13.793 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -1.883 0.201 -14.399 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.783 1.705 -14.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.198 1.222 -16.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.256 2.548 -16.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.561 1.002 -16.205 1.00 0.00 H new ATOM 655 N ASN A 41 0.500 2.554 -7.727 1.00 0.00 N ATOM 656 CA ASN A 41 1.546 2.843 -6.749 1.00 0.00 C ATOM 657 C ASN A 41 1.686 1.746 -5.687 1.00 0.00 C ATOM 658 O ASN A 41 2.694 1.719 -4.983 1.00 0.00 O ATOM 659 CB ASN A 41 1.262 4.190 -6.071 1.00 0.00 C ATOM 660 CG ASN A 41 2.432 4.646 -5.203 1.00 0.00 C ATOM 661 OD1 ASN A 41 3.516 4.928 -5.706 1.00 0.00 O ATOM 662 ND2 ASN A 41 2.238 4.765 -3.898 1.00 0.00 N ATOM 0 H ASN A 41 -0.365 3.070 -7.565 1.00 0.00 H new ATOM 0 HA ASN A 41 2.491 2.884 -7.291 1.00 0.00 H new ATOM 0 HB2 ASN A 41 1.058 4.944 -6.831 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.365 4.106 -5.457 1.00 0.00 H new ATOM 0 HD21 ASN A 41 2.994 5.094 -3.298 1.00 0.00 H new ATOM 0 HD22 ASN A 41 1.332 4.527 -3.493 1.00 0.00 H new ATOM 669 N ASP A 42 0.702 0.852 -5.525 1.00 0.00 N ATOM 670 CA ASP A 42 0.847 -0.287 -4.613 1.00 0.00 C ATOM 671 C ASP A 42 1.904 -1.232 -5.182 1.00 0.00 C ATOM 672 O ASP A 42 1.849 -1.573 -6.363 1.00 0.00 O ATOM 673 CB ASP A 42 -0.479 -1.038 -4.409 1.00 0.00 C ATOM 674 CG ASP A 42 -1.179 -0.617 -3.109 1.00 0.00 C ATOM 675 OD1 ASP A 42 -0.620 -0.887 -2.023 1.00 0.00 O ATOM 676 OD2 ASP A 42 -2.267 0.001 -3.164 1.00 0.00 O ATOM 0 H ASP A 42 -0.195 0.895 -6.009 1.00 0.00 H new ATOM 0 HA ASP A 42 1.153 0.087 -3.636 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.139 -0.847 -5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -0.289 -2.111 -4.389 1.00 0.00 H new ATOM 681 N THR A 43 2.858 -1.662 -4.352 1.00 0.00 N ATOM 682 CA THR A 43 3.928 -2.569 -4.745 1.00 0.00 C ATOM 683 C THR A 43 3.353 -3.950 -5.045 1.00 0.00 C ATOM 684 O THR A 43 3.115 -4.732 -4.124 1.00 0.00 O ATOM 685 CB THR A 43 5.021 -2.603 -3.654 1.00 0.00 C ATOM 686 OG1 THR A 43 5.435 -1.293 -3.307 1.00 0.00 O ATOM 687 CG2 THR A 43 6.241 -3.420 -4.079 1.00 0.00 C ATOM 0 H THR A 43 2.905 -1.382 -3.372 1.00 0.00 H new ATOM 0 HA THR A 43 4.402 -2.212 -5.659 1.00 0.00 H new ATOM 0 HB THR A 43 4.572 -3.086 -2.786 1.00 0.00 H new ATOM 0 HG1 THR A 43 4.831 -0.929 -2.627 1.00 0.00 H new ATOM 0 HG21 THR A 43 6.980 -3.413 -3.278 1.00 0.00 H new ATOM 0 HG22 THR A 43 5.938 -4.447 -4.284 1.00 0.00 H new ATOM 0 HG23 THR A 43 6.676 -2.984 -4.978 1.00 0.00 H new ATOM 695 N VAL A 44 3.127 -4.264 -6.320 1.00 0.00 N ATOM 696 CA VAL A 44 2.738 -5.605 -6.723 1.00 0.00 C ATOM 697 C VAL A 44 3.995 -6.471 -6.692 1.00 0.00 C ATOM 698 O VAL A 44 4.840 -6.392 -7.588 1.00 0.00 O ATOM 699 CB VAL A 44 2.054 -5.610 -8.105 1.00 0.00 C ATOM 700 CG1 VAL A 44 1.469 -7.005 -8.357 1.00 0.00 C ATOM 701 CG2 VAL A 44 0.906 -4.593 -8.189 1.00 0.00 C ATOM 0 H VAL A 44 3.208 -3.601 -7.091 1.00 0.00 H new ATOM 0 HA VAL A 44 1.995 -6.009 -6.036 1.00 0.00 H new ATOM 0 HB VAL A 44 2.806 -5.342 -8.848 1.00 0.00 H new ATOM 0 HG11 VAL A 44 0.981 -7.024 -9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.270 -7.744 -8.337 1.00 0.00 H new ATOM 0 HG13 VAL A 44 0.740 -7.239 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 44 0.456 -4.634 -9.181 1.00 0.00 H new ATOM 0 HG22 VAL A 44 0.153 -4.832 -7.438 1.00 0.00 H new ATOM 0 HG23 VAL A 44 1.294 -3.591 -8.008 1.00 0.00 H new ATOM 711 N LYS A 45 4.151 -7.272 -5.640 1.00 0.00 N ATOM 712 CA LYS A 45 5.169 -8.311 -5.614 1.00 0.00 C ATOM 713 C LYS A 45 4.635 -9.478 -6.431 1.00 0.00 C ATOM 714 O LYS A 45 3.444 -9.780 -6.339 1.00 0.00 O ATOM 715 CB LYS A 45 5.520 -8.714 -4.172 1.00 0.00 C ATOM 716 CG LYS A 45 5.989 -7.468 -3.409 1.00 0.00 C ATOM 717 CD LYS A 45 6.701 -7.772 -2.086 1.00 0.00 C ATOM 718 CE LYS A 45 7.609 -6.585 -1.726 1.00 0.00 C ATOM 719 NZ LYS A 45 8.154 -6.673 -0.351 1.00 0.00 N ATOM 0 H LYS A 45 3.583 -7.218 -4.795 1.00 0.00 H new ATOM 0 HA LYS A 45 6.103 -7.954 -6.048 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.651 -9.152 -3.681 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.302 -9.473 -4.172 1.00 0.00 H new ATOM 0 HG2 LYS A 45 6.662 -6.897 -4.048 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.126 -6.833 -3.207 1.00 0.00 H new ATOM 0 HD2 LYS A 45 5.971 -7.941 -1.295 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.291 -8.684 -2.176 1.00 0.00 H new ATOM 0 HE2 LYS A 45 8.434 -6.537 -2.436 1.00 0.00 H new ATOM 0 HE3 LYS A 45 7.045 -5.658 -1.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 9.111 -6.267 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 7.540 -6.144 0.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 8.194 -7.670 -0.057 1.00 0.00 H new ATOM 733 N VAL A 46 5.486 -10.155 -7.194 1.00 0.00 N ATOM 734 CA VAL A 46 5.076 -11.277 -8.034 1.00 0.00 C ATOM 735 C VAL A 46 5.926 -12.493 -7.686 1.00 0.00 C ATOM 736 O VAL A 46 7.143 -12.366 -7.527 1.00 0.00 O ATOM 737 CB VAL A 46 5.133 -10.898 -9.532 1.00 0.00 C ATOM 738 CG1 VAL A 46 4.027 -9.892 -9.882 1.00 0.00 C ATOM 739 CG2 VAL A 46 6.481 -10.312 -9.987 1.00 0.00 C ATOM 0 H VAL A 46 6.482 -9.942 -7.248 1.00 0.00 H new ATOM 0 HA VAL A 46 4.035 -11.533 -7.838 1.00 0.00 H new ATOM 0 HB VAL A 46 4.991 -11.840 -10.062 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.086 -9.640 -10.941 1.00 0.00 H new ATOM 0 HG12 VAL A 46 3.053 -10.333 -9.668 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.155 -8.988 -9.286 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.434 -10.074 -11.050 1.00 0.00 H new ATOM 0 HG22 VAL A 46 6.693 -9.405 -9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.272 -11.041 -9.813 1.00 0.00 H new ATOM 749 N TYR A 47 5.303 -13.670 -7.575 1.00 0.00 N ATOM 750 CA TYR A 47 5.997 -14.927 -7.309 1.00 0.00 C ATOM 751 C TYR A 47 5.314 -16.097 -8.025 1.00 0.00 C ATOM 752 O TYR A 47 4.179 -15.964 -8.483 1.00 0.00 O ATOM 753 CB TYR A 47 6.112 -15.172 -5.803 1.00 0.00 C ATOM 754 CG TYR A 47 4.858 -15.637 -5.089 1.00 0.00 C ATOM 755 CD1 TYR A 47 3.971 -14.695 -4.533 1.00 0.00 C ATOM 756 CD2 TYR A 47 4.611 -17.014 -4.928 1.00 0.00 C ATOM 757 CE1 TYR A 47 2.863 -15.127 -3.784 1.00 0.00 C ATOM 758 CE2 TYR A 47 3.496 -17.450 -4.197 1.00 0.00 C ATOM 759 CZ TYR A 47 2.634 -16.510 -3.599 1.00 0.00 C ATOM 760 OH TYR A 47 1.580 -16.954 -2.858 1.00 0.00 O ATOM 0 H TYR A 47 4.293 -13.775 -7.669 1.00 0.00 H new ATOM 0 HA TYR A 47 7.008 -14.852 -7.709 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.892 -15.915 -5.638 1.00 0.00 H new ATOM 0 HB3 TYR A 47 6.448 -14.248 -5.333 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.142 -13.639 -4.682 1.00 0.00 H new ATOM 0 HD2 TYR A 47 5.282 -17.736 -5.369 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.188 -14.404 -3.351 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.298 -18.507 -4.093 1.00 0.00 H new ATOM 0 HH TYR A 47 0.981 -17.483 -3.425 1.00 0.00 H new ATOM 770 N CYS A 48 6.005 -17.233 -8.140 1.00 0.00 N ATOM 771 CA CYS A 48 5.517 -18.468 -8.724 1.00 0.00 C ATOM 772 C CYS A 48 6.195 -19.649 -8.013 1.00 0.00 C ATOM 773 O CYS A 48 6.433 -19.581 -6.806 1.00 0.00 O ATOM 774 CB CYS A 48 5.697 -18.426 -10.257 1.00 0.00 C ATOM 775 SG CYS A 48 7.448 -18.337 -10.742 1.00 0.00 S ATOM 0 H CYS A 48 6.967 -17.312 -7.810 1.00 0.00 H new ATOM 0 HA CYS A 48 4.446 -18.599 -8.571 1.00 0.00 H new ATOM 0 HB2 CYS A 48 5.244 -19.314 -10.699 1.00 0.00 H new ATOM 0 HB3 CYS A 48 5.166 -17.564 -10.660 1.00 0.00 H new ATOM 0 HG CYS A 48 7.697 -19.247 -11.636 1.00 0.00 H new ATOM 781 N ASN A 49 6.481 -20.747 -8.724 1.00 0.00 N ATOM 782 CA ASN A 49 7.086 -21.940 -8.124 1.00 0.00 C ATOM 783 C ASN A 49 8.518 -21.653 -7.663 1.00 0.00 C ATOM 784 O ASN A 49 8.901 -22.053 -6.564 1.00 0.00 O ATOM 785 CB ASN A 49 7.060 -23.106 -9.128 1.00 0.00 C ATOM 786 CG ASN A 49 7.590 -24.397 -8.508 1.00 0.00 C ATOM 787 OD1 ASN A 49 8.795 -24.618 -8.429 1.00 0.00 O ATOM 788 ND2 ASN A 49 6.714 -25.286 -8.072 1.00 0.00 N ATOM 0 H ASN A 49 6.301 -20.832 -9.724 1.00 0.00 H new ATOM 0 HA ASN A 49 6.503 -22.221 -7.247 1.00 0.00 H new ATOM 0 HB2 ASN A 49 6.040 -23.262 -9.478 1.00 0.00 H new ATOM 0 HB3 ASN A 49 7.660 -22.848 -10.001 1.00 0.00 H new ATOM 0 HD21 ASN A 49 7.037 -26.164 -7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 49 5.715 -25.094 -8.142 1.00 0.00 H new ATOM 795 N ALA A 50 9.292 -20.924 -8.479 1.00 0.00 N ATOM 796 CA ALA A 50 10.714 -20.682 -8.232 1.00 0.00 C ATOM 797 C ALA A 50 11.180 -19.286 -8.661 1.00 0.00 C ATOM 798 O ALA A 50 12.034 -18.714 -7.982 1.00 0.00 O ATOM 799 CB ALA A 50 11.533 -21.743 -8.976 1.00 0.00 C ATOM 0 H ALA A 50 8.945 -20.485 -9.332 1.00 0.00 H new ATOM 0 HA ALA A 50 10.868 -20.743 -7.155 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.595 -21.573 -8.799 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.259 -22.734 -8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.328 -21.678 -10.045 1.00 0.00 H new ATOM 805 N GLY A 51 10.646 -18.726 -9.754 1.00 0.00 N ATOM 806 CA GLY A 51 11.028 -17.387 -10.202 1.00 0.00 C ATOM 807 C GLY A 51 10.795 -17.101 -11.684 1.00 0.00 C ATOM 808 O GLY A 51 10.755 -15.932 -12.059 1.00 0.00 O ATOM 0 H GLY A 51 9.948 -19.182 -10.342 1.00 0.00 H new ATOM 0 HA2 GLY A 51 10.473 -16.654 -9.616 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.085 -17.236 -9.982 1.00 0.00 H new ATOM 812 N ARG A 52 10.670 -18.114 -12.554 1.00 0.00 N ATOM 813 CA ARG A 52 10.647 -17.866 -14.003 1.00 0.00 C ATOM 814 C ARG A 52 9.429 -17.048 -14.444 1.00 0.00 C ATOM 815 O ARG A 52 9.589 -16.047 -15.145 1.00 0.00 O ATOM 816 CB ARG A 52 10.825 -19.176 -14.802 1.00 0.00 C ATOM 817 CG ARG A 52 9.711 -20.227 -14.641 1.00 0.00 C ATOM 818 CD ARG A 52 10.062 -21.512 -15.402 1.00 0.00 C ATOM 819 NE ARG A 52 9.002 -22.529 -15.267 1.00 0.00 N ATOM 820 CZ ARG A 52 7.906 -22.646 -16.031 1.00 0.00 C ATOM 821 NH1 ARG A 52 7.678 -21.798 -17.033 1.00 0.00 N ATOM 822 NH2 ARG A 52 7.035 -23.619 -15.786 1.00 0.00 N ATOM 0 H ARG A 52 10.585 -19.095 -12.287 1.00 0.00 H new ATOM 0 HA ARG A 52 11.508 -17.240 -14.237 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.908 -18.924 -15.859 1.00 0.00 H new ATOM 0 HB3 ARG A 52 11.771 -19.631 -14.508 1.00 0.00 H new ATOM 0 HG2 ARG A 52 9.567 -20.452 -13.584 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.768 -19.825 -15.012 1.00 0.00 H new ATOM 0 HD2 ARG A 52 10.214 -21.281 -16.456 1.00 0.00 H new ATOM 0 HD3 ARG A 52 11.003 -21.914 -15.025 1.00 0.00 H new ATOM 0 HE ARG A 52 9.114 -23.212 -14.517 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.341 -21.048 -17.227 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.840 -21.899 -17.606 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.202 -24.272 -15.020 1.00 0.00 H new ATOM 0 HH22 ARG A 52 6.200 -23.713 -16.364 1.00 0.00 H new ATOM 836 N GLN A 53 8.220 -17.435 -14.024 1.00 0.00 N ATOM 837 CA GLN A 53 6.998 -16.783 -14.494 1.00 0.00 C ATOM 838 C GLN A 53 6.841 -15.425 -13.812 1.00 0.00 C ATOM 839 O GLN A 53 6.421 -14.466 -14.453 1.00 0.00 O ATOM 840 CB GLN A 53 5.787 -17.710 -14.270 1.00 0.00 C ATOM 841 CG GLN A 53 4.534 -17.302 -15.057 1.00 0.00 C ATOM 842 CD GLN A 53 3.600 -18.490 -15.318 1.00 0.00 C ATOM 843 OE1 GLN A 53 3.912 -19.373 -16.113 1.00 0.00 O ATOM 844 NE2 GLN A 53 2.439 -18.555 -14.684 1.00 0.00 N ATOM 0 H GLN A 53 8.064 -18.195 -13.361 1.00 0.00 H new ATOM 0 HA GLN A 53 7.060 -16.597 -15.566 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.064 -18.726 -14.550 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.547 -17.726 -13.207 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.995 -16.533 -14.504 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.832 -16.861 -16.008 1.00 0.00 H new ATOM 0 HE21 GLN A 53 2.177 -17.823 -14.023 1.00 0.00 H new ATOM 0 HE22 GLN A 53 1.807 -19.337 -14.856 1.00 0.00 H new ATOM 853 N SER A 54 7.231 -15.305 -12.542 1.00 0.00 N ATOM 854 CA SER A 54 7.247 -14.035 -11.830 1.00 0.00 C ATOM 855 C SER A 54 8.308 -13.090 -12.394 1.00 0.00 C ATOM 856 O SER A 54 8.102 -11.877 -12.406 1.00 0.00 O ATOM 857 CB SER A 54 7.450 -14.307 -10.340 1.00 0.00 C ATOM 858 OG SER A 54 8.380 -15.358 -10.131 1.00 0.00 O ATOM 0 H SER A 54 7.546 -16.095 -11.978 1.00 0.00 H new ATOM 0 HA SER A 54 6.291 -13.529 -11.967 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.804 -13.401 -9.848 1.00 0.00 H new ATOM 0 HB3 SER A 54 6.496 -14.566 -9.882 1.00 0.00 H new ATOM 0 HG SER A 54 7.923 -16.221 -10.216 1.00 0.00 H new ATOM 864 N GLY A 55 9.440 -13.612 -12.868 1.00 0.00 N ATOM 865 CA GLY A 55 10.476 -12.827 -13.523 1.00 0.00 C ATOM 866 C GLY A 55 9.903 -12.174 -14.771 1.00 0.00 C ATOM 867 O GLY A 55 10.014 -10.959 -14.943 1.00 0.00 O ATOM 0 H GLY A 55 9.662 -14.606 -12.805 1.00 0.00 H new ATOM 0 HA2 GLY A 55 10.855 -12.065 -12.842 1.00 0.00 H new ATOM 0 HA3 GLY A 55 11.319 -13.466 -13.788 1.00 0.00 H new ATOM 871 N GLN A 56 9.204 -12.960 -15.597 1.00 0.00 N ATOM 872 CA GLN A 56 8.521 -12.423 -16.763 1.00 0.00 C ATOM 873 C GLN A 56 7.415 -11.444 -16.343 1.00 0.00 C ATOM 874 O GLN A 56 7.249 -10.403 -16.985 1.00 0.00 O ATOM 875 CB GLN A 56 7.995 -13.575 -17.640 1.00 0.00 C ATOM 876 CG GLN A 56 7.452 -13.110 -19.003 1.00 0.00 C ATOM 877 CD GLN A 56 8.490 -12.320 -19.806 1.00 0.00 C ATOM 878 OE1 GLN A 56 9.265 -12.879 -20.578 1.00 0.00 O ATOM 879 NE2 GLN A 56 8.552 -11.012 -19.608 1.00 0.00 N ATOM 0 H GLN A 56 9.101 -13.967 -15.474 1.00 0.00 H new ATOM 0 HA GLN A 56 9.226 -11.851 -17.366 1.00 0.00 H new ATOM 0 HB2 GLN A 56 8.799 -14.293 -17.804 1.00 0.00 H new ATOM 0 HB3 GLN A 56 7.205 -14.099 -17.102 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.134 -13.978 -19.580 1.00 0.00 H new ATOM 0 HG3 GLN A 56 6.569 -12.490 -18.847 1.00 0.00 H new ATOM 0 HE21 GLN A 56 7.901 -10.562 -18.964 1.00 0.00 H new ATOM 0 HE22 GLN A 56 9.250 -10.454 -20.100 1.00 0.00 H new ATOM 888 N ALA A 57 6.689 -11.743 -15.261 1.00 0.00 N ATOM 889 CA ALA A 57 5.634 -10.883 -14.744 1.00 0.00 C ATOM 890 C ALA A 57 6.168 -9.519 -14.304 1.00 0.00 C ATOM 891 O ALA A 57 5.474 -8.523 -14.505 1.00 0.00 O ATOM 892 CB ALA A 57 4.894 -11.557 -13.588 1.00 0.00 C ATOM 0 H ALA A 57 6.823 -12.597 -14.719 1.00 0.00 H new ATOM 0 HA ALA A 57 4.933 -10.717 -15.562 1.00 0.00 H new ATOM 0 HB1 ALA A 57 4.111 -10.893 -13.221 1.00 0.00 H new ATOM 0 HB2 ALA A 57 4.446 -12.488 -13.936 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.596 -11.771 -12.782 1.00 0.00 H new ATOM 898 N LYS A 58 7.382 -9.436 -13.739 1.00 0.00 N ATOM 899 CA LYS A 58 7.942 -8.146 -13.338 1.00 0.00 C ATOM 900 C LYS A 58 8.065 -7.229 -14.559 1.00 0.00 C ATOM 901 O LYS A 58 7.711 -6.051 -14.479 1.00 0.00 O ATOM 902 CB LYS A 58 9.271 -8.297 -12.575 1.00 0.00 C ATOM 903 CG LYS A 58 9.889 -6.918 -12.252 1.00 0.00 C ATOM 904 CD LYS A 58 10.850 -6.952 -11.056 1.00 0.00 C ATOM 905 CE LYS A 58 11.553 -5.597 -10.882 1.00 0.00 C ATOM 906 NZ LYS A 58 12.663 -5.650 -9.895 1.00 0.00 N ATOM 0 H LYS A 58 7.984 -10.238 -13.553 1.00 0.00 H new ATOM 0 HA LYS A 58 7.255 -7.678 -12.632 1.00 0.00 H new ATOM 0 HB2 LYS A 58 9.102 -8.848 -11.650 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.971 -8.882 -13.171 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.423 -6.552 -13.129 1.00 0.00 H new ATOM 0 HG3 LYS A 58 9.088 -6.207 -12.047 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.300 -7.200 -10.149 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.593 -7.736 -11.203 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.944 -5.269 -11.845 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.824 -4.852 -10.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.092 -4.707 -9.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 12.292 -5.953 -8.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.383 -6.327 -10.218 1.00 0.00 H new ATOM 920 N GLU A 59 8.521 -7.763 -15.696 1.00 0.00 N ATOM 921 CA GLU A 59 8.674 -6.975 -16.916 1.00 0.00 C ATOM 922 C GLU A 59 7.295 -6.564 -17.427 1.00 0.00 C ATOM 923 O GLU A 59 7.086 -5.414 -17.802 1.00 0.00 O ATOM 924 CB GLU A 59 9.396 -7.770 -18.016 1.00 0.00 C ATOM 925 CG GLU A 59 10.806 -8.241 -17.635 1.00 0.00 C ATOM 926 CD GLU A 59 11.565 -8.834 -18.840 1.00 0.00 C ATOM 927 OE1 GLU A 59 10.968 -9.582 -19.650 1.00 0.00 O ATOM 928 OE2 GLU A 59 12.780 -8.561 -18.982 1.00 0.00 O ATOM 0 H GLU A 59 8.791 -8.742 -15.794 1.00 0.00 H new ATOM 0 HA GLU A 59 9.274 -6.097 -16.677 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.793 -8.640 -18.274 1.00 0.00 H new ATOM 0 HB3 GLU A 59 9.462 -7.151 -18.911 1.00 0.00 H new ATOM 0 HG2 GLU A 59 11.371 -7.402 -17.229 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.737 -8.990 -16.846 1.00 0.00 H new ATOM 935 N ILE A 60 6.343 -7.496 -17.410 1.00 0.00 N ATOM 936 CA ILE A 60 4.983 -7.293 -17.891 1.00 0.00 C ATOM 937 C ILE A 60 4.283 -6.190 -17.087 1.00 0.00 C ATOM 938 O ILE A 60 3.651 -5.317 -17.678 1.00 0.00 O ATOM 939 CB ILE A 60 4.270 -8.666 -17.849 1.00 0.00 C ATOM 940 CG1 ILE A 60 4.693 -9.499 -19.080 1.00 0.00 C ATOM 941 CG2 ILE A 60 2.747 -8.549 -17.752 1.00 0.00 C ATOM 942 CD1 ILE A 60 4.223 -10.959 -19.042 1.00 0.00 C ATOM 0 H ILE A 60 6.504 -8.437 -17.051 1.00 0.00 H new ATOM 0 HA ILE A 60 4.964 -6.934 -18.920 1.00 0.00 H new ATOM 0 HB ILE A 60 4.583 -9.175 -16.937 1.00 0.00 H new ATOM 0 HG12 ILE A 60 4.298 -9.025 -19.979 1.00 0.00 H new ATOM 0 HG13 ILE A 60 5.780 -9.481 -19.161 1.00 0.00 H new ATOM 0 HG21 ILE A 60 2.306 -9.546 -17.726 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.481 -8.011 -16.842 1.00 0.00 H new ATOM 0 HG23 ILE A 60 2.368 -8.007 -18.618 1.00 0.00 H new ATOM 0 HD11 ILE A 60 4.561 -11.474 -19.941 1.00 0.00 H new ATOM 0 HD12 ILE A 60 4.639 -11.452 -18.164 1.00 0.00 H new ATOM 0 HD13 ILE A 60 3.134 -10.990 -18.994 1.00 0.00 H new ATOM 954 N LEU A 61 4.392 -6.182 -15.758 1.00 0.00 N ATOM 955 CA LEU A 61 3.739 -5.149 -14.961 1.00 0.00 C ATOM 956 C LEU A 61 4.458 -3.808 -15.115 1.00 0.00 C ATOM 957 O LEU A 61 3.807 -2.762 -15.071 1.00 0.00 O ATOM 958 CB LEU A 61 3.642 -5.573 -13.491 1.00 0.00 C ATOM 959 CG LEU A 61 2.708 -6.773 -13.230 1.00 0.00 C ATOM 960 CD1 LEU A 61 2.601 -6.991 -11.719 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.302 -6.587 -13.818 1.00 0.00 C ATOM 0 H LEU A 61 4.919 -6.869 -15.219 1.00 0.00 H new ATOM 0 HA LEU A 61 2.722 -5.021 -15.332 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.641 -5.821 -13.131 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.294 -4.724 -12.903 1.00 0.00 H new ATOM 0 HG LEU A 61 3.143 -7.639 -13.728 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.943 -7.837 -11.519 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.590 -7.196 -11.310 1.00 0.00 H new ATOM 0 HD13 LEU A 61 2.193 -6.096 -11.250 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.697 -7.467 -13.599 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.836 -5.706 -13.376 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.374 -6.456 -14.898 1.00 0.00 H new ATOM 973 N SER A 62 5.772 -3.821 -15.354 1.00 0.00 N ATOM 974 CA SER A 62 6.512 -2.614 -15.701 1.00 0.00 C ATOM 975 C SER A 62 6.046 -2.069 -17.062 1.00 0.00 C ATOM 976 O SER A 62 5.887 -0.858 -17.208 1.00 0.00 O ATOM 977 CB SER A 62 8.020 -2.898 -15.686 1.00 0.00 C ATOM 978 OG SER A 62 8.425 -3.448 -14.442 1.00 0.00 O ATOM 0 H SER A 62 6.345 -4.664 -15.312 1.00 0.00 H new ATOM 0 HA SER A 62 6.311 -1.844 -14.956 1.00 0.00 H new ATOM 0 HB2 SER A 62 8.271 -3.589 -16.491 1.00 0.00 H new ATOM 0 HB3 SER A 62 8.569 -1.975 -15.875 1.00 0.00 H new ATOM 0 HG SER A 62 8.285 -4.418 -14.452 1.00 0.00 H new ATOM 984 N GLU A 63 5.754 -2.937 -18.038 1.00 0.00 N ATOM 985 CA GLU A 63 5.187 -2.564 -19.333 1.00 0.00 C ATOM 986 C GLU A 63 3.792 -1.946 -19.141 1.00 0.00 C ATOM 987 O GLU A 63 3.477 -0.930 -19.762 1.00 0.00 O ATOM 988 CB GLU A 63 5.153 -3.801 -20.254 1.00 0.00 C ATOM 989 CG GLU A 63 4.606 -3.502 -21.654 1.00 0.00 C ATOM 990 CD GLU A 63 4.410 -4.787 -22.475 1.00 0.00 C ATOM 991 OE1 GLU A 63 5.360 -5.238 -23.156 1.00 0.00 O ATOM 992 OE2 GLU A 63 3.283 -5.335 -22.464 1.00 0.00 O ATOM 0 H GLU A 63 5.910 -3.941 -17.944 1.00 0.00 H new ATOM 0 HA GLU A 63 5.811 -1.808 -19.810 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.161 -4.205 -20.345 1.00 0.00 H new ATOM 0 HB3 GLU A 63 4.540 -4.574 -19.790 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.655 -2.976 -21.568 1.00 0.00 H new ATOM 0 HG3 GLU A 63 5.292 -2.836 -22.178 1.00 0.00 H new ATOM 999 N MET A 64 2.980 -2.507 -18.235 1.00 0.00 N ATOM 1000 CA MET A 64 1.688 -1.943 -17.832 1.00 0.00 C ATOM 1001 C MET A 64 1.837 -0.639 -17.029 1.00 0.00 C ATOM 1002 O MET A 64 0.830 -0.013 -16.689 1.00 0.00 O ATOM 1003 CB MET A 64 0.873 -2.975 -17.033 1.00 0.00 C ATOM 1004 CG MET A 64 0.453 -4.176 -17.886 1.00 0.00 C ATOM 1005 SD MET A 64 -0.512 -5.426 -16.995 1.00 0.00 S ATOM 1006 CE MET A 64 -2.107 -4.571 -16.868 1.00 0.00 C ATOM 0 H MET A 64 3.207 -3.378 -17.755 1.00 0.00 H new ATOM 0 HA MET A 64 1.152 -1.695 -18.748 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.464 -3.324 -16.186 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.016 -2.494 -16.625 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.133 -3.818 -18.733 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.347 -4.647 -18.294 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.861 -5.261 -16.489 1.00 0.00 H new ATOM 0 HE2 MET A 64 -2.013 -3.725 -16.187 1.00 0.00 H new ATOM 0 HE3 MET A 64 -2.407 -4.212 -17.853 1.00 0.00 H new ATOM 1016 N GLY A 65 3.061 -0.204 -16.720 1.00 0.00 N ATOM 1017 CA GLY A 65 3.327 1.076 -16.087 1.00 0.00 C ATOM 1018 C GLY A 65 3.013 1.075 -14.594 1.00 0.00 C ATOM 1019 O GLY A 65 2.787 2.151 -14.039 1.00 0.00 O ATOM 0 H GLY A 65 3.905 -0.746 -16.909 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.375 1.337 -16.233 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.735 1.849 -16.577 1.00 0.00 H new ATOM 1023 N TYR A 66 2.964 -0.090 -13.935 1.00 0.00 N ATOM 1024 CA TYR A 66 2.867 -0.133 -12.480 1.00 0.00 C ATOM 1025 C TYR A 66 4.132 0.503 -11.912 1.00 0.00 C ATOM 1026 O TYR A 66 5.246 0.081 -12.232 1.00 0.00 O ATOM 1027 CB TYR A 66 2.626 -1.558 -11.963 1.00 0.00 C ATOM 1028 CG TYR A 66 1.157 -1.941 -11.977 1.00 0.00 C ATOM 1029 CD1 TYR A 66 0.491 -2.153 -13.200 1.00 0.00 C ATOM 1030 CD2 TYR A 66 0.438 -2.005 -10.768 1.00 0.00 C ATOM 1031 CE1 TYR A 66 -0.898 -2.372 -13.220 1.00 0.00 C ATOM 1032 CE2 TYR A 66 -0.948 -2.238 -10.781 1.00 0.00 C ATOM 1033 CZ TYR A 66 -1.628 -2.384 -12.010 1.00 0.00 C ATOM 1034 OH TYR A 66 -2.983 -2.493 -12.039 1.00 0.00 O ATOM 0 H TYR A 66 2.990 -1.005 -14.386 1.00 0.00 H new ATOM 0 HA TYR A 66 1.999 0.433 -12.141 1.00 0.00 H new ATOM 0 HB2 TYR A 66 3.188 -2.263 -12.576 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.010 -1.642 -10.947 1.00 0.00 H new ATOM 0 HD1 TYR A 66 1.049 -2.147 -14.125 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.953 -1.875 -9.828 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.407 -2.531 -14.159 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -1.493 -2.305 -9.851 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.350 -2.248 -11.164 1.00 0.00 H new ATOM 1044 N THR A 67 3.962 1.557 -11.117 1.00 0.00 N ATOM 1045 CA THR A 67 5.055 2.406 -10.671 1.00 0.00 C ATOM 1046 C THR A 67 5.831 1.755 -9.520 1.00 0.00 C ATOM 1047 O THR A 67 6.982 2.123 -9.274 1.00 0.00 O ATOM 1048 CB THR A 67 4.487 3.794 -10.324 1.00 0.00 C ATOM 1049 OG1 THR A 67 3.349 3.674 -9.493 1.00 0.00 O ATOM 1050 CG2 THR A 67 4.029 4.517 -11.596 1.00 0.00 C ATOM 0 H THR A 67 3.050 1.846 -10.763 1.00 0.00 H new ATOM 0 HA THR A 67 5.787 2.533 -11.468 1.00 0.00 H new ATOM 0 HB THR A 67 5.278 4.349 -9.820 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.003 4.566 -9.282 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.630 5.497 -11.334 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.877 4.639 -12.270 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.254 3.930 -12.089 1.00 0.00 H new ATOM 1058 N HIS A 68 5.246 0.747 -8.861 1.00 0.00 N ATOM 1059 CA HIS A 68 5.917 -0.115 -7.904 1.00 0.00 C ATOM 1060 C HIS A 68 5.601 -1.563 -8.290 1.00 0.00 C ATOM 1061 O HIS A 68 4.443 -1.984 -8.288 1.00 0.00 O ATOM 1062 CB HIS A 68 5.436 0.160 -6.475 1.00 0.00 C ATOM 1063 CG HIS A 68 6.021 1.344 -5.747 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.525 1.289 -4.468 1.00 0.00 N ATOM 1065 CD2 HIS A 68 6.097 2.650 -6.155 1.00 0.00 C ATOM 1066 CE1 HIS A 68 6.921 2.524 -4.119 1.00 0.00 C ATOM 1067 NE2 HIS A 68 6.690 3.393 -5.122 1.00 0.00 N ATOM 0 H HIS A 68 4.263 0.509 -8.989 1.00 0.00 H new ATOM 0 HA HIS A 68 6.990 0.073 -7.927 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.354 0.288 -6.506 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.635 -0.730 -5.879 1.00 0.00 H new ATOM 0 HD1 HIS A 68 6.587 0.454 -3.885 1.00 0.00 H new ATOM 0 HD2 HIS A 68 5.760 3.039 -7.104 1.00 0.00 H new ATOM 0 HE1 HIS A 68 7.362 2.784 -3.168 1.00 0.00 H new ATOM 1075 N VAL A 69 6.642 -2.335 -8.586 1.00 0.00 N ATOM 1076 CA VAL A 69 6.599 -3.769 -8.846 1.00 0.00 C ATOM 1077 C VAL A 69 7.860 -4.324 -8.188 1.00 0.00 C ATOM 1078 O VAL A 69 8.885 -3.634 -8.162 1.00 0.00 O ATOM 1079 CB VAL A 69 6.604 -4.049 -10.370 1.00 0.00 C ATOM 1080 CG1 VAL A 69 6.605 -5.553 -10.694 1.00 0.00 C ATOM 1081 CG2 VAL A 69 5.404 -3.416 -11.087 1.00 0.00 C ATOM 0 H VAL A 69 7.587 -1.957 -8.654 1.00 0.00 H new ATOM 0 HA VAL A 69 5.694 -4.232 -8.452 1.00 0.00 H new ATOM 0 HB VAL A 69 7.528 -3.596 -10.730 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.609 -5.692 -11.775 1.00 0.00 H new ATOM 0 HG12 VAL A 69 7.493 -6.017 -10.265 1.00 0.00 H new ATOM 0 HG13 VAL A 69 5.714 -6.017 -10.271 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.456 -3.642 -12.152 1.00 0.00 H new ATOM 0 HG22 VAL A 69 4.479 -3.820 -10.675 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.423 -2.336 -10.944 1.00 0.00 H new ATOM 1091 N GLU A 70 7.822 -5.558 -7.689 1.00 0.00 N ATOM 1092 CA GLU A 70 9.036 -6.236 -7.267 1.00 0.00 C ATOM 1093 C GLU A 70 8.908 -7.729 -7.544 1.00 0.00 C ATOM 1094 O GLU A 70 7.810 -8.285 -7.525 1.00 0.00 O ATOM 1095 CB GLU A 70 9.331 -5.931 -5.788 1.00 0.00 C ATOM 1096 CG GLU A 70 10.706 -6.421 -5.314 1.00 0.00 C ATOM 1097 CD GLU A 70 11.873 -5.893 -6.169 1.00 0.00 C ATOM 1098 OE1 GLU A 70 12.075 -6.414 -7.292 1.00 0.00 O ATOM 1099 OE2 GLU A 70 12.591 -4.969 -5.724 1.00 0.00 O ATOM 0 H GLU A 70 6.968 -6.102 -7.569 1.00 0.00 H new ATOM 0 HA GLU A 70 9.887 -5.868 -7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.265 -4.855 -5.629 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.560 -6.392 -5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.856 -6.114 -4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 70 10.719 -7.511 -5.328 1.00 0.00 H new ATOM 1106 N ASN A 71 10.032 -8.384 -7.817 1.00 0.00 N ATOM 1107 CA ASN A 71 10.063 -9.821 -8.016 1.00 0.00 C ATOM 1108 C ASN A 71 10.372 -10.484 -6.680 1.00 0.00 C ATOM 1109 O ASN A 71 11.320 -10.082 -6.002 1.00 0.00 O ATOM 1110 CB ASN A 71 11.128 -10.195 -9.049 1.00 0.00 C ATOM 1111 CG ASN A 71 11.032 -11.683 -9.318 1.00 0.00 C ATOM 1112 OD1 ASN A 71 11.700 -12.493 -8.688 1.00 0.00 O ATOM 1113 ND2 ASN A 71 10.132 -12.078 -10.198 1.00 0.00 N ATOM 0 H ASN A 71 10.942 -7.932 -7.905 1.00 0.00 H new ATOM 0 HA ASN A 71 9.098 -10.163 -8.389 1.00 0.00 H new ATOM 0 HB2 ASN A 71 10.977 -9.633 -9.970 1.00 0.00 H new ATOM 0 HB3 ASN A 71 12.121 -9.940 -8.679 1.00 0.00 H new ATOM 0 HD21 ASN A 71 9.983 -13.073 -10.363 1.00 0.00 H new ATOM 0 HD22 ASN A 71 9.585 -11.388 -10.713 1.00 0.00 H new ATOM 1120 N ALA A 72 9.600 -11.509 -6.321 1.00 0.00 N ATOM 1121 CA ALA A 72 9.727 -12.218 -5.055 1.00 0.00 C ATOM 1122 C ALA A 72 10.075 -13.700 -5.273 1.00 0.00 C ATOM 1123 O ALA A 72 9.930 -14.504 -4.354 1.00 0.00 O ATOM 1124 CB ALA A 72 8.448 -12.008 -4.234 1.00 0.00 C ATOM 0 H ALA A 72 8.856 -11.874 -6.915 1.00 0.00 H new ATOM 0 HA ALA A 72 10.561 -11.810 -4.484 1.00 0.00 H new ATOM 0 HB1 ALA A 72 8.535 -12.536 -3.284 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.307 -10.944 -4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 72 7.593 -12.395 -4.788 1.00 0.00 H new ATOM 1130 N GLY A 73 10.553 -14.072 -6.467 1.00 0.00 N ATOM 1131 CA GLY A 73 11.030 -15.416 -6.761 1.00 0.00 C ATOM 1132 C GLY A 73 9.879 -16.410 -6.722 1.00 0.00 C ATOM 1133 O GLY A 73 8.960 -16.325 -7.544 1.00 0.00 O ATOM 0 H GLY A 73 10.617 -13.435 -7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 73 11.501 -15.434 -7.744 1.00 0.00 H new ATOM 0 HA3 GLY A 73 11.792 -15.704 -6.037 1.00 0.00 H new ATOM 1137 N GLY A 74 9.911 -17.348 -5.776 1.00 0.00 N ATOM 1138 CA GLY A 74 8.883 -18.358 -5.648 1.00 0.00 C ATOM 1139 C GLY A 74 8.884 -19.012 -4.279 1.00 0.00 C ATOM 1140 O GLY A 74 9.805 -18.831 -3.480 1.00 0.00 O ATOM 0 H GLY A 74 10.654 -17.422 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 74 7.908 -17.906 -5.831 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.029 -19.121 -6.413 1.00 0.00 H new ATOM 1144 N LEU A 75 7.828 -19.778 -4.010 1.00 0.00 N ATOM 1145 CA LEU A 75 7.507 -20.323 -2.687 1.00 0.00 C ATOM 1146 C LEU A 75 8.626 -21.147 -2.055 1.00 0.00 C ATOM 1147 O LEU A 75 8.688 -21.231 -0.827 1.00 0.00 O ATOM 1148 CB LEU A 75 6.231 -21.176 -2.788 1.00 0.00 C ATOM 1149 CG LEU A 75 4.981 -20.388 -2.369 1.00 0.00 C ATOM 1150 CD1 LEU A 75 3.747 -21.057 -2.965 1.00 0.00 C ATOM 1151 CD2 LEU A 75 4.847 -20.304 -0.844 1.00 0.00 C ATOM 0 H LEU A 75 7.152 -20.046 -4.725 1.00 0.00 H new ATOM 0 HA LEU A 75 7.362 -19.466 -2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.111 -21.530 -3.812 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.333 -22.058 -2.156 1.00 0.00 H new ATOM 0 HG LEU A 75 5.075 -19.369 -2.745 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.855 -20.503 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.827 -21.066 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 75 3.675 -22.081 -2.598 1.00 0.00 H new ATOM 0 HD21 LEU A 75 3.951 -19.739 -0.588 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.773 -21.309 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.722 -19.804 -0.429 1.00 0.00 H new ATOM 1163 N LYS A 76 9.500 -21.749 -2.865 1.00 0.00 N ATOM 1164 CA LYS A 76 10.612 -22.563 -2.376 1.00 0.00 C ATOM 1165 C LYS A 76 11.733 -21.718 -1.759 1.00 0.00 C ATOM 1166 O LYS A 76 12.605 -22.278 -1.096 1.00 0.00 O ATOM 1167 CB LYS A 76 11.150 -23.448 -3.515 1.00 0.00 C ATOM 1168 CG LYS A 76 10.064 -24.386 -4.077 1.00 0.00 C ATOM 1169 CD LYS A 76 10.563 -25.354 -5.159 1.00 0.00 C ATOM 1170 CE LYS A 76 11.250 -24.626 -6.324 1.00 0.00 C ATOM 1171 NZ LYS A 76 11.345 -25.476 -7.535 1.00 0.00 N ATOM 0 H LYS A 76 9.455 -21.684 -3.882 1.00 0.00 H new ATOM 0 HA LYS A 76 10.231 -23.198 -1.576 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.533 -22.816 -4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.988 -24.041 -3.149 1.00 0.00 H new ATOM 0 HG2 LYS A 76 9.640 -24.964 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 76 9.257 -23.781 -4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 76 11.262 -26.063 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 76 9.722 -25.933 -5.541 1.00 0.00 H new ATOM 0 HE2 LYS A 76 10.695 -23.718 -6.561 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.250 -24.318 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.171 -25.188 -8.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 11.448 -26.472 -7.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 10.482 -25.365 -8.105 1.00 0.00 H new ATOM 1185 N ASP A 77 11.722 -20.396 -1.954 1.00 0.00 N ATOM 1186 CA ASP A 77 12.782 -19.482 -1.511 1.00 0.00 C ATOM 1187 C ASP A 77 12.228 -18.282 -0.730 1.00 0.00 C ATOM 1188 O ASP A 77 12.987 -17.575 -0.067 1.00 0.00 O ATOM 1189 CB ASP A 77 13.571 -19.012 -2.742 1.00 0.00 C ATOM 1190 CG ASP A 77 14.751 -18.100 -2.367 1.00 0.00 C ATOM 1191 OD1 ASP A 77 15.718 -18.583 -1.734 1.00 0.00 O ATOM 1192 OD2 ASP A 77 14.750 -16.909 -2.756 1.00 0.00 O ATOM 0 H ASP A 77 10.959 -19.920 -2.435 1.00 0.00 H new ATOM 0 HA ASP A 77 13.438 -20.018 -0.826 1.00 0.00 H new ATOM 0 HB2 ASP A 77 13.944 -19.881 -3.285 1.00 0.00 H new ATOM 0 HB3 ASP A 77 12.902 -18.478 -3.417 1.00 0.00 H new ATOM 1197 N ILE A 78 10.907 -18.060 -0.769 1.00 0.00 N ATOM 1198 CA ILE A 78 10.247 -16.911 -0.143 1.00 0.00 C ATOM 1199 C ILE A 78 10.492 -16.846 1.372 1.00 0.00 C ATOM 1200 O ILE A 78 10.711 -15.753 1.896 1.00 0.00 O ATOM 1201 CB ILE A 78 8.750 -16.902 -0.556 1.00 0.00 C ATOM 1202 CG1 ILE A 78 8.633 -16.118 -1.876 1.00 0.00 C ATOM 1203 CG2 ILE A 78 7.802 -16.308 0.495 1.00 0.00 C ATOM 1204 CD1 ILE A 78 7.255 -16.166 -2.535 1.00 0.00 C ATOM 0 H ILE A 78 10.258 -18.686 -1.245 1.00 0.00 H new ATOM 0 HA ILE A 78 10.692 -15.987 -0.511 1.00 0.00 H new ATOM 0 HB ILE A 78 8.435 -17.940 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 78 8.893 -15.076 -1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 78 9.369 -16.507 -2.579 1.00 0.00 H new ATOM 0 HG21 ILE A 78 6.778 -16.342 0.122 1.00 0.00 H new ATOM 0 HG22 ILE A 78 7.872 -16.886 1.416 1.00 0.00 H new ATOM 0 HG23 ILE A 78 8.081 -15.273 0.694 1.00 0.00 H new ATOM 0 HD11 ILE A 78 7.272 -15.585 -3.457 1.00 0.00 H new ATOM 0 HD12 ILE A 78 6.996 -17.200 -2.762 1.00 0.00 H new ATOM 0 HD13 ILE A 78 6.512 -15.747 -1.856 1.00 0.00 H new ATOM 1216 N ALA A 79 10.498 -17.998 2.056 1.00 0.00 N ATOM 1217 CA ALA A 79 10.661 -18.119 3.507 1.00 0.00 C ATOM 1218 C ALA A 79 9.791 -17.109 4.289 1.00 0.00 C ATOM 1219 O ALA A 79 10.292 -16.335 5.110 1.00 0.00 O ATOM 1220 CB ALA A 79 12.153 -18.073 3.871 1.00 0.00 C ATOM 0 H ALA A 79 10.385 -18.901 1.596 1.00 0.00 H new ATOM 0 HA ALA A 79 10.284 -19.092 3.821 1.00 0.00 H new ATOM 0 HB1 ALA A 79 12.267 -18.163 4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 79 12.673 -18.896 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 79 12.579 -17.126 3.539 1.00 0.00 H new ATOM 1226 N MET A 80 8.480 -17.126 4.026 1.00 0.00 N ATOM 1227 CA MET A 80 7.449 -16.344 4.718 1.00 0.00 C ATOM 1228 C MET A 80 6.311 -17.303 5.099 1.00 0.00 C ATOM 1229 O MET A 80 6.224 -18.383 4.502 1.00 0.00 O ATOM 1230 CB MET A 80 6.905 -15.226 3.804 1.00 0.00 C ATOM 1231 CG MET A 80 7.914 -14.104 3.528 1.00 0.00 C ATOM 1232 SD MET A 80 8.285 -13.020 4.938 1.00 0.00 S ATOM 1233 CE MET A 80 6.760 -12.035 5.005 1.00 0.00 C ATOM 0 H MET A 80 8.090 -17.714 3.289 1.00 0.00 H new ATOM 0 HA MET A 80 7.874 -15.874 5.605 1.00 0.00 H new ATOM 0 HB2 MET A 80 6.595 -15.664 2.855 1.00 0.00 H new ATOM 0 HB3 MET A 80 6.015 -14.796 4.263 1.00 0.00 H new ATOM 0 HG2 MET A 80 8.845 -14.553 3.183 1.00 0.00 H new ATOM 0 HG3 MET A 80 7.534 -13.491 2.711 1.00 0.00 H new ATOM 0 HE1 MET A 80 6.861 -11.259 5.763 1.00 0.00 H new ATOM 0 HE2 MET A 80 6.582 -11.573 4.034 1.00 0.00 H new ATOM 0 HE3 MET A 80 5.920 -12.682 5.258 1.00 0.00 H new ATOM 1243 N PRO A 81 5.440 -16.944 6.065 1.00 0.00 N ATOM 1244 CA PRO A 81 4.274 -17.739 6.432 1.00 0.00 C ATOM 1245 C PRO A 81 3.466 -18.185 5.211 1.00 0.00 C ATOM 1246 O PRO A 81 3.120 -17.374 4.346 1.00 0.00 O ATOM 1247 CB PRO A 81 3.449 -16.858 7.376 1.00 0.00 C ATOM 1248 CG PRO A 81 4.511 -15.984 8.038 1.00 0.00 C ATOM 1249 CD PRO A 81 5.516 -15.757 6.909 1.00 0.00 C ATOM 0 HA PRO A 81 4.573 -18.668 6.918 1.00 0.00 H new ATOM 0 HB2 PRO A 81 2.715 -16.262 6.834 1.00 0.00 H new ATOM 0 HB3 PRO A 81 2.901 -17.452 8.107 1.00 0.00 H new ATOM 0 HG2 PRO A 81 4.093 -15.045 8.402 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.969 -16.482 8.893 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.272 -14.858 6.343 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.523 -15.621 7.303 1.00 0.00 H new ATOM 1257 N LYS A 82 3.145 -19.476 5.149 1.00 0.00 N ATOM 1258 CA LYS A 82 2.462 -20.109 4.034 1.00 0.00 C ATOM 1259 C LYS A 82 1.383 -21.059 4.541 1.00 0.00 C ATOM 1260 O LYS A 82 1.368 -21.430 5.716 1.00 0.00 O ATOM 1261 CB LYS A 82 3.511 -20.800 3.149 1.00 0.00 C ATOM 1262 CG LYS A 82 4.292 -21.936 3.836 1.00 0.00 C ATOM 1263 CD LYS A 82 5.235 -22.667 2.869 1.00 0.00 C ATOM 1264 CE LYS A 82 6.264 -21.753 2.177 1.00 0.00 C ATOM 1265 NZ LYS A 82 7.108 -22.513 1.218 1.00 0.00 N ATOM 0 H LYS A 82 3.363 -20.128 5.902 1.00 0.00 H new ATOM 0 HA LYS A 82 1.945 -19.368 3.425 1.00 0.00 H new ATOM 0 HB2 LYS A 82 3.013 -21.203 2.267 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.221 -20.050 2.799 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.871 -21.526 4.664 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.588 -22.651 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.767 -23.445 3.417 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.638 -23.166 2.106 1.00 0.00 H new ATOM 0 HE2 LYS A 82 5.745 -20.952 1.651 1.00 0.00 H new ATOM 0 HE3 LYS A 82 6.898 -21.283 2.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 7.708 -21.852 0.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 7.709 -23.182 1.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.498 -23.037 0.559 1.00 0.00 H new ATOM 1279 N VAL A 83 0.492 -21.450 3.641 1.00 0.00 N ATOM 1280 CA VAL A 83 -0.678 -22.266 3.877 1.00 0.00 C ATOM 1281 C VAL A 83 -0.686 -23.376 2.820 1.00 0.00 C ATOM 1282 O VAL A 83 0.021 -23.282 1.811 1.00 0.00 O ATOM 1283 CB VAL A 83 -1.922 -21.355 3.835 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -1.993 -20.454 5.077 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -2.036 -20.484 2.574 1.00 0.00 C ATOM 0 H VAL A 83 0.579 -21.184 2.660 1.00 0.00 H new ATOM 0 HA VAL A 83 -0.675 -22.745 4.856 1.00 0.00 H new ATOM 0 HB VAL A 83 -2.765 -22.046 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -2.880 -19.823 5.019 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -2.046 -21.073 5.973 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -1.104 -19.826 5.122 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.940 -19.877 2.631 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -1.165 -19.832 2.502 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -2.084 -21.124 1.693 1.00 0.00 H new ATOM 1295 N LYS A 84 -1.461 -24.439 3.049 1.00 0.00 N ATOM 1296 CA LYS A 84 -1.417 -25.672 2.261 1.00 0.00 C ATOM 1297 C LYS A 84 -2.830 -26.063 1.831 1.00 0.00 C ATOM 1298 O LYS A 84 -3.805 -25.697 2.494 1.00 0.00 O ATOM 1299 CB LYS A 84 -0.793 -26.804 3.102 1.00 0.00 C ATOM 1300 CG LYS A 84 0.654 -26.566 3.579 1.00 0.00 C ATOM 1301 CD LYS A 84 1.721 -26.535 2.475 1.00 0.00 C ATOM 1302 CE LYS A 84 1.777 -27.841 1.666 1.00 0.00 C ATOM 1303 NZ LYS A 84 3.119 -28.086 1.081 1.00 0.00 N ATOM 0 H LYS A 84 -2.149 -24.467 3.801 1.00 0.00 H new ATOM 0 HA LYS A 84 -0.807 -25.508 1.372 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.421 -26.970 3.977 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.816 -27.722 2.515 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.688 -25.620 4.119 1.00 0.00 H new ATOM 0 HG3 LYS A 84 0.916 -27.349 4.291 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.516 -25.703 1.801 1.00 0.00 H new ATOM 0 HD3 LYS A 84 2.697 -26.348 2.924 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.507 -28.677 2.311 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.037 -27.803 0.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 3.018 -28.606 0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.591 -27.177 0.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.690 -28.647 1.745 1.00 0.00 H new ATOM 1317 N GLY A 85 -2.923 -26.861 0.764 1.00 0.00 N ATOM 1318 CA GLY A 85 -4.182 -27.276 0.161 1.00 0.00 C ATOM 1319 C GLY A 85 -5.029 -26.057 -0.192 1.00 0.00 C ATOM 1320 O GLY A 85 -4.472 -25.077 -0.728 1.00 0.00 O ATOM 1321 OXT GLY A 85 -6.248 -26.088 0.072 1.00 0.00 O ATOM 0 H GLY A 85 -2.105 -27.242 0.289 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -3.987 -27.863 -0.736 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -4.728 -27.919 0.851 1.00 0.00 H new