USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 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 -81:sc= 0.435 USER MOD Set 1.2: A 54 SER OG : rot 153:sc= 0.316 USER MOD Set 2.1: A 41 ASN : amide:sc= -0.104 K(o=0.52,f=2) USER MOD Set 2.2: A 43 THR OG1 : rot 85:sc= 1.24 USER MOD Set 2.3: A 67 THR OG1 : rot 130:sc= -0.356 USER MOD Set 2.4: A 68 HIS : no HE2:sc= -0.265 K(o=0.52,f=2) USER MOD Single : A 1 ALA N :NH3+ 173:sc= 1.24 (180deg=1.18) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0.855 K(o=0.86,f=0) USER MOD Single : A 15 GLN : amide:sc= 1 K(o=1,f=-0.032) USER MOD Single : A 17 HIS : no HE2:sc= 0.324 K(o=0.32,f=-1.5!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= 0.787 K(o=0.79,f=-2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -169:sc= 1.23 (180deg=1.12) USER MOD Single : A 45 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.16) USER MOD Single : A 47 TYR OH : rot 50:sc= 0.195 USER MOD Single : A 49 ASN : amide:sc= -1.43! K(o=-1.4!,f=-0.21) USER MOD Single : A 53 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.29) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0216) USER MOD Single : A 62 SER OG : rot 87:sc= 1.27 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 178:sc= 1.27 USER MOD Single : A 71 ASN : amide:sc= 1.15 K(o=1.1,f=0.028) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 174:sc= 0 (180deg=-0.0516) USER MOD Single : A 82 LYS NZ :NH3+ -174:sc= 1.96 (180deg=1.88) USER MOD Single : A 84 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00417) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 4.577 -0.710 -2.805 1.00 0.00 N ATOM 2 CA ALA A 1 3.115 -0.618 -2.610 1.00 0.00 C ATOM 3 C ALA A 1 2.485 0.062 -3.835 1.00 0.00 C ATOM 4 O ALA A 1 3.108 0.128 -4.899 1.00 0.00 O ATOM 5 CB ALA A 1 2.783 0.103 -1.288 1.00 0.00 C ATOM 0 H1 ALA A 1 5.022 -1.060 -1.933 1.00 0.00 H new ATOM 0 H2 ALA A 1 4.783 -1.366 -3.586 1.00 0.00 H new ATOM 0 H3 ALA A 1 4.957 0.231 -3.034 1.00 0.00 H new ATOM 0 HA ALA A 1 2.686 -1.617 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 1 1.701 0.159 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 1 3.214 -0.450 -0.454 1.00 0.00 H new ATOM 0 HB3 ALA A 1 3.198 1.111 -1.309 1.00 0.00 H new ATOM 13 N GLU A 2 1.245 0.550 -3.730 1.00 0.00 N ATOM 14 CA GLU A 2 0.614 1.382 -4.744 1.00 0.00 C ATOM 15 C GLU A 2 -0.403 2.319 -4.079 1.00 0.00 C ATOM 16 O GLU A 2 -0.721 2.160 -2.897 1.00 0.00 O ATOM 17 CB GLU A 2 -0.030 0.524 -5.857 1.00 0.00 C ATOM 18 CG GLU A 2 -1.284 -0.279 -5.467 1.00 0.00 C ATOM 19 CD GLU A 2 -0.995 -1.433 -4.488 1.00 0.00 C ATOM 20 OE1 GLU A 2 -0.385 -2.447 -4.896 1.00 0.00 O ATOM 21 OE2 GLU A 2 -1.417 -1.360 -3.312 1.00 0.00 O ATOM 0 H GLU A 2 0.647 0.372 -2.923 1.00 0.00 H new ATOM 0 HA GLU A 2 1.377 1.991 -5.228 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -0.290 1.181 -6.687 1.00 0.00 H new ATOM 0 HB3 GLU A 2 0.721 -0.174 -6.227 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.012 0.396 -5.016 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -1.741 -0.685 -6.369 1.00 0.00 H new ATOM 28 N HIS A 3 -0.950 3.251 -4.861 1.00 0.00 N ATOM 29 CA HIS A 3 -2.080 4.098 -4.502 1.00 0.00 C ATOM 30 C HIS A 3 -3.000 4.128 -5.721 1.00 0.00 C ATOM 31 O HIS A 3 -2.517 4.343 -6.835 1.00 0.00 O ATOM 32 CB HIS A 3 -1.605 5.521 -4.160 1.00 0.00 C ATOM 33 CG HIS A 3 -0.790 5.619 -2.893 1.00 0.00 C ATOM 34 ND1 HIS A 3 -1.257 5.991 -1.651 1.00 0.00 N ATOM 35 CD2 HIS A 3 0.558 5.403 -2.768 1.00 0.00 C ATOM 36 CE1 HIS A 3 -0.217 5.998 -0.800 1.00 0.00 C ATOM 37 NE2 HIS A 3 0.917 5.645 -1.434 1.00 0.00 N ATOM 0 H HIS A 3 -0.600 3.441 -5.800 1.00 0.00 H new ATOM 0 HA HIS A 3 -2.595 3.710 -3.623 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -1.010 5.902 -4.990 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -2.476 6.169 -4.068 1.00 0.00 H new ATOM 0 HD2 HIS A 3 1.227 5.099 -3.559 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -0.282 6.252 0.248 1.00 0.00 H new ATOM 0 HE2 HIS A 3 1.849 5.569 -1.026 1.00 0.00 H new ATOM 45 N TRP A 4 -4.301 3.913 -5.521 1.00 0.00 N ATOM 46 CA TRP A 4 -5.304 4.046 -6.571 1.00 0.00 C ATOM 47 C TRP A 4 -5.875 5.451 -6.468 1.00 0.00 C ATOM 48 O TRP A 4 -6.501 5.792 -5.462 1.00 0.00 O ATOM 49 CB TRP A 4 -6.405 2.989 -6.417 1.00 0.00 C ATOM 50 CG TRP A 4 -6.016 1.611 -6.865 1.00 0.00 C ATOM 51 CD1 TRP A 4 -5.163 0.780 -6.226 1.00 0.00 C ATOM 52 CD2 TRP A 4 -6.441 0.892 -8.065 1.00 0.00 C ATOM 53 NE1 TRP A 4 -5.024 -0.391 -6.942 1.00 0.00 N ATOM 54 CE2 TRP A 4 -5.784 -0.375 -8.092 1.00 0.00 C ATOM 55 CE3 TRP A 4 -7.314 1.185 -9.136 1.00 0.00 C ATOM 56 CZ2 TRP A 4 -5.975 -1.298 -9.132 1.00 0.00 C ATOM 57 CZ3 TRP A 4 -7.523 0.262 -10.177 1.00 0.00 C ATOM 58 CH2 TRP A 4 -6.852 -0.975 -10.181 1.00 0.00 C ATOM 0 H TRP A 4 -4.688 3.640 -4.618 1.00 0.00 H new ATOM 0 HA TRP A 4 -4.856 3.887 -7.552 1.00 0.00 H new ATOM 0 HB2 TRP A 4 -6.704 2.945 -5.370 1.00 0.00 H new ATOM 0 HB3 TRP A 4 -7.279 3.308 -6.985 1.00 0.00 H new ATOM 0 HD1 TRP A 4 -4.664 1.000 -5.294 1.00 0.00 H new ATOM 0 HE1 TRP A 4 -4.433 -1.171 -6.656 1.00 0.00 H new ATOM 0 HE3 TRP A 4 -7.830 2.134 -9.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 -5.455 -2.244 -9.126 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -8.204 0.505 -10.979 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -7.011 -1.674 -10.989 1.00 0.00 H new ATOM 69 N ILE A 5 -5.651 6.262 -7.498 1.00 0.00 N ATOM 70 CA ILE A 5 -6.025 7.665 -7.530 1.00 0.00 C ATOM 71 C ILE A 5 -6.828 7.843 -8.816 1.00 0.00 C ATOM 72 O ILE A 5 -6.278 7.776 -9.917 1.00 0.00 O ATOM 73 CB ILE A 5 -4.759 8.560 -7.444 1.00 0.00 C ATOM 74 CG1 ILE A 5 -4.070 8.433 -6.062 1.00 0.00 C ATOM 75 CG2 ILE A 5 -5.110 10.037 -7.697 1.00 0.00 C ATOM 76 CD1 ILE A 5 -2.680 9.069 -5.978 1.00 0.00 C ATOM 0 H ILE A 5 -5.192 5.950 -8.354 1.00 0.00 H new ATOM 0 HA ILE A 5 -6.634 7.969 -6.678 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.072 8.214 -8.216 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -4.710 8.892 -5.309 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -3.987 7.376 -5.809 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -4.206 10.642 -7.631 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -5.546 10.142 -8.691 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -5.827 10.374 -6.949 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -2.277 8.931 -4.975 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -2.019 8.595 -6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -2.754 10.135 -6.196 1.00 0.00 H new ATOM 88 N ASP A 6 -8.142 8.013 -8.688 1.00 0.00 N ATOM 89 CA ASP A 6 -8.964 8.460 -9.803 1.00 0.00 C ATOM 90 C ASP A 6 -8.530 9.896 -10.130 1.00 0.00 C ATOM 91 O ASP A 6 -8.236 10.667 -9.212 1.00 0.00 O ATOM 92 CB ASP A 6 -10.439 8.409 -9.400 1.00 0.00 C ATOM 93 CG ASP A 6 -11.348 8.933 -10.509 1.00 0.00 C ATOM 94 OD1 ASP A 6 -11.404 10.166 -10.680 1.00 0.00 O ATOM 95 OD2 ASP A 6 -12.040 8.131 -11.173 1.00 0.00 O ATOM 0 H ASP A 6 -8.657 7.847 -7.823 1.00 0.00 H new ATOM 0 HA ASP A 6 -8.839 7.822 -10.678 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -10.715 7.382 -9.159 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -10.590 9.000 -8.497 1.00 0.00 H new ATOM 100 N VAL A 7 -8.492 10.280 -11.403 1.00 0.00 N ATOM 101 CA VAL A 7 -8.036 11.608 -11.825 1.00 0.00 C ATOM 102 C VAL A 7 -9.093 12.342 -12.663 1.00 0.00 C ATOM 103 O VAL A 7 -8.799 13.374 -13.271 1.00 0.00 O ATOM 104 CB VAL A 7 -6.652 11.507 -12.503 1.00 0.00 C ATOM 105 CG1 VAL A 7 -5.544 11.011 -11.559 1.00 0.00 C ATOM 106 CG2 VAL A 7 -6.664 10.563 -13.709 1.00 0.00 C ATOM 0 H VAL A 7 -8.777 9.679 -12.176 1.00 0.00 H new ATOM 0 HA VAL A 7 -7.905 12.233 -10.942 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.437 12.529 -12.814 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.599 10.964 -12.100 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -5.447 11.699 -10.719 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.799 10.018 -11.188 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -5.669 10.525 -14.152 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.955 9.564 -13.386 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.377 10.927 -14.449 1.00 0.00 H new ATOM 116 N ARG A 8 -10.331 11.838 -12.711 1.00 0.00 N ATOM 117 CA ARG A 8 -11.448 12.543 -13.340 1.00 0.00 C ATOM 118 C ARG A 8 -11.770 13.808 -12.546 1.00 0.00 C ATOM 119 O ARG A 8 -11.337 13.955 -11.399 1.00 0.00 O ATOM 120 CB ARG A 8 -12.613 11.568 -13.562 1.00 0.00 C ATOM 121 CG ARG A 8 -13.785 11.661 -12.596 1.00 0.00 C ATOM 122 CD ARG A 8 -14.751 10.516 -12.907 1.00 0.00 C ATOM 123 NE ARG A 8 -14.362 9.290 -12.209 1.00 0.00 N ATOM 124 CZ ARG A 8 -15.196 8.438 -11.617 1.00 0.00 C ATOM 125 NH1 ARG A 8 -16.511 8.626 -11.608 1.00 0.00 N ATOM 126 NH2 ARG A 8 -14.685 7.393 -10.996 1.00 0.00 N ATOM 0 H ARG A 8 -10.584 10.932 -12.316 1.00 0.00 H new ATOM 0 HA ARG A 8 -11.193 12.901 -14.337 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -12.994 11.719 -14.572 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -12.218 10.553 -13.519 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -13.435 11.594 -11.566 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -14.288 12.622 -12.700 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -15.762 10.800 -12.613 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -14.770 10.335 -13.982 1.00 0.00 H new ATOM 0 HE ARG A 8 -13.367 9.069 -12.173 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -16.912 9.445 -12.065 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -17.119 7.951 -11.144 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -13.675 7.254 -10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -15.300 6.724 -10.534 1.00 0.00 H new ATOM 140 N VAL A 9 -12.507 14.732 -13.168 1.00 0.00 N ATOM 141 CA VAL A 9 -12.842 15.998 -12.525 1.00 0.00 C ATOM 142 C VAL A 9 -13.617 15.703 -11.218 1.00 0.00 C ATOM 143 O VAL A 9 -14.346 14.705 -11.161 1.00 0.00 O ATOM 144 CB VAL A 9 -13.525 16.966 -13.516 1.00 0.00 C ATOM 145 CG1 VAL A 9 -12.567 17.313 -14.668 1.00 0.00 C ATOM 146 CG2 VAL A 9 -14.835 16.438 -14.105 1.00 0.00 C ATOM 0 H VAL A 9 -12.880 14.625 -14.111 1.00 0.00 H new ATOM 0 HA VAL A 9 -11.945 16.541 -12.226 1.00 0.00 H new ATOM 0 HB VAL A 9 -13.773 17.852 -12.931 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.061 17.996 -15.359 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.672 17.788 -14.266 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -12.288 16.401 -15.196 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -15.250 17.177 -14.790 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -14.644 15.510 -14.644 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -15.546 16.250 -13.300 1.00 0.00 H new ATOM 156 N PRO A 10 -13.510 16.535 -10.166 1.00 0.00 N ATOM 157 CA PRO A 10 -13.959 16.150 -8.826 1.00 0.00 C ATOM 158 C PRO A 10 -15.464 15.901 -8.720 1.00 0.00 C ATOM 159 O PRO A 10 -15.898 15.037 -7.955 1.00 0.00 O ATOM 160 CB PRO A 10 -13.496 17.276 -7.896 1.00 0.00 C ATOM 161 CG PRO A 10 -13.357 18.488 -8.818 1.00 0.00 C ATOM 162 CD PRO A 10 -12.961 17.886 -10.164 1.00 0.00 C ATOM 0 HA PRO A 10 -13.526 15.188 -8.551 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -14.220 17.460 -7.102 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.549 17.031 -7.414 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.292 19.044 -8.889 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -12.600 19.182 -8.453 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -13.363 18.474 -10.990 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.878 17.869 -10.282 1.00 0.00 H new ATOM 170 N GLU A 11 -16.279 16.625 -9.487 1.00 0.00 N ATOM 171 CA GLU A 11 -17.725 16.427 -9.497 1.00 0.00 C ATOM 172 C GLU A 11 -18.102 15.100 -10.156 1.00 0.00 C ATOM 173 O GLU A 11 -19.104 14.495 -9.775 1.00 0.00 O ATOM 174 CB GLU A 11 -18.395 17.581 -10.249 1.00 0.00 C ATOM 175 CG GLU A 11 -18.425 18.866 -9.409 1.00 0.00 C ATOM 176 CD GLU A 11 -19.133 20.011 -10.155 1.00 0.00 C ATOM 177 OE1 GLU A 11 -18.463 20.781 -10.880 1.00 0.00 O ATOM 178 OE2 GLU A 11 -20.367 20.170 -10.007 1.00 0.00 O ATOM 0 H GLU A 11 -15.956 17.361 -10.115 1.00 0.00 H new ATOM 0 HA GLU A 11 -18.071 16.403 -8.464 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -17.860 17.768 -11.180 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -19.413 17.298 -10.517 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -18.937 18.674 -8.466 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -17.406 19.165 -9.164 1.00 0.00 H new ATOM 185 N GLN A 12 -17.303 14.627 -11.119 1.00 0.00 N ATOM 186 CA GLN A 12 -17.582 13.402 -11.854 1.00 0.00 C ATOM 187 C GLN A 12 -17.113 12.219 -11.019 1.00 0.00 C ATOM 188 O GLN A 12 -17.732 11.158 -11.059 1.00 0.00 O ATOM 189 CB GLN A 12 -16.893 13.457 -13.235 1.00 0.00 C ATOM 190 CG GLN A 12 -17.814 13.998 -14.338 1.00 0.00 C ATOM 191 CD GLN A 12 -18.467 15.361 -14.070 1.00 0.00 C ATOM 192 OE1 GLN A 12 -19.413 15.482 -13.297 1.00 0.00 O ATOM 193 NE2 GLN A 12 -18.020 16.414 -14.736 1.00 0.00 N ATOM 0 H GLN A 12 -16.441 15.091 -11.407 1.00 0.00 H new ATOM 0 HA GLN A 12 -18.651 13.289 -12.034 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.005 14.086 -13.168 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.555 12.457 -13.508 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.238 14.070 -15.260 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -18.605 13.268 -14.512 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -17.234 16.315 -15.379 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.461 17.324 -14.607 1.00 0.00 H new ATOM 202 N TYR A 13 -16.027 12.393 -10.263 1.00 0.00 N ATOM 203 CA TYR A 13 -15.490 11.363 -9.380 1.00 0.00 C ATOM 204 C TYR A 13 -16.559 10.845 -8.419 1.00 0.00 C ATOM 205 O TYR A 13 -16.754 9.634 -8.299 1.00 0.00 O ATOM 206 CB TYR A 13 -14.247 11.877 -8.638 1.00 0.00 C ATOM 207 CG TYR A 13 -14.149 11.497 -7.167 1.00 0.00 C ATOM 208 CD1 TYR A 13 -13.924 10.159 -6.783 1.00 0.00 C ATOM 209 CD2 TYR A 13 -14.258 12.496 -6.180 1.00 0.00 C ATOM 210 CE1 TYR A 13 -13.768 9.836 -5.425 1.00 0.00 C ATOM 211 CE2 TYR A 13 -14.147 12.169 -4.817 1.00 0.00 C ATOM 212 CZ TYR A 13 -13.891 10.833 -4.432 1.00 0.00 C ATOM 213 OH TYR A 13 -13.733 10.501 -3.120 1.00 0.00 O ATOM 0 H TYR A 13 -15.493 13.262 -10.248 1.00 0.00 H new ATOM 0 HA TYR A 13 -15.178 10.516 -9.992 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.361 11.503 -9.150 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -14.225 12.964 -8.715 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -13.872 9.383 -7.532 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.428 13.522 -6.473 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.552 8.817 -5.138 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -14.257 12.937 -4.066 1.00 0.00 H new ATOM 0 HH TYR A 13 -13.847 11.300 -2.564 1.00 0.00 H new ATOM 223 N GLN A 14 -17.271 11.768 -7.768 1.00 0.00 N ATOM 224 CA GLN A 14 -18.198 11.444 -6.688 1.00 0.00 C ATOM 225 C GLN A 14 -19.346 10.542 -7.156 1.00 0.00 C ATOM 226 O GLN A 14 -19.973 9.877 -6.329 1.00 0.00 O ATOM 227 CB GLN A 14 -18.745 12.748 -6.082 1.00 0.00 C ATOM 228 CG GLN A 14 -17.665 13.521 -5.311 1.00 0.00 C ATOM 229 CD GLN A 14 -18.093 14.957 -5.014 1.00 0.00 C ATOM 230 OE1 GLN A 14 -18.903 15.219 -4.128 1.00 0.00 O ATOM 231 NE2 GLN A 14 -17.557 15.917 -5.751 1.00 0.00 N ATOM 0 H GLN A 14 -17.218 12.765 -7.978 1.00 0.00 H new ATOM 0 HA GLN A 14 -17.651 10.884 -5.930 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -19.144 13.378 -6.877 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -19.573 12.517 -5.412 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -17.449 13.006 -4.375 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -16.742 13.530 -5.891 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -16.886 15.684 -6.483 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -17.815 16.890 -5.587 1.00 0.00 H new ATOM 240 N GLN A 15 -19.626 10.516 -8.464 1.00 0.00 N ATOM 241 CA GLN A 15 -20.794 9.851 -9.012 1.00 0.00 C ATOM 242 C GLN A 15 -20.712 8.323 -8.893 1.00 0.00 C ATOM 243 O GLN A 15 -21.769 7.699 -8.861 1.00 0.00 O ATOM 244 CB GLN A 15 -21.016 10.296 -10.472 1.00 0.00 C ATOM 245 CG GLN A 15 -21.083 11.826 -10.671 1.00 0.00 C ATOM 246 CD GLN A 15 -22.122 12.524 -9.789 1.00 0.00 C ATOM 247 OE1 GLN A 15 -23.257 12.074 -9.645 1.00 0.00 O ATOM 248 NE2 GLN A 15 -21.755 13.635 -9.174 1.00 0.00 N ATOM 0 H GLN A 15 -19.039 10.961 -9.169 1.00 0.00 H new ATOM 0 HA GLN A 15 -21.657 10.152 -8.418 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -20.209 9.897 -11.087 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -21.943 9.854 -10.837 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -20.101 12.252 -10.465 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -21.309 12.037 -11.716 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -20.811 14.000 -9.300 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -22.416 14.127 -8.573 1.00 0.00 H new ATOM 257 N GLU A 16 -19.505 7.738 -8.798 1.00 0.00 N ATOM 258 CA GLU A 16 -19.192 6.315 -8.578 1.00 0.00 C ATOM 259 C GLU A 16 -17.698 6.137 -8.877 1.00 0.00 C ATOM 260 O GLU A 16 -17.223 6.651 -9.887 1.00 0.00 O ATOM 261 CB GLU A 16 -20.056 5.388 -9.466 1.00 0.00 C ATOM 262 CG GLU A 16 -19.613 3.923 -9.461 1.00 0.00 C ATOM 263 CD GLU A 16 -20.624 3.028 -10.200 1.00 0.00 C ATOM 264 OE1 GLU A 16 -20.521 2.878 -11.439 1.00 0.00 O ATOM 265 OE2 GLU A 16 -21.525 2.457 -9.546 1.00 0.00 O ATOM 0 H GLU A 16 -18.654 8.294 -8.880 1.00 0.00 H new ATOM 0 HA GLU A 16 -19.420 6.034 -7.550 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -21.092 5.444 -9.130 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.032 5.760 -10.490 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.634 3.836 -9.933 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -19.503 3.578 -8.433 1.00 0.00 H new ATOM 272 N HIS A 17 -16.938 5.410 -8.055 1.00 0.00 N ATOM 273 CA HIS A 17 -15.513 5.163 -8.278 1.00 0.00 C ATOM 274 C HIS A 17 -15.119 3.791 -7.726 1.00 0.00 C ATOM 275 O HIS A 17 -15.872 3.202 -6.952 1.00 0.00 O ATOM 276 CB HIS A 17 -14.676 6.303 -7.675 1.00 0.00 C ATOM 277 CG HIS A 17 -14.408 6.192 -6.194 1.00 0.00 C ATOM 278 ND1 HIS A 17 -15.331 5.984 -5.192 1.00 0.00 N ATOM 279 CD2 HIS A 17 -13.180 6.308 -5.599 1.00 0.00 C ATOM 280 CE1 HIS A 17 -14.673 6.000 -4.020 1.00 0.00 C ATOM 281 NE2 HIS A 17 -13.355 6.197 -4.213 1.00 0.00 N ATOM 0 H HIS A 17 -17.299 4.972 -7.207 1.00 0.00 H new ATOM 0 HA HIS A 17 -15.310 5.147 -9.349 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -13.721 6.346 -8.198 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -15.187 7.247 -7.865 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -16.333 5.843 -5.317 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -12.240 6.459 -6.109 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.139 5.872 -3.054 1.00 0.00 H new ATOM 289 N VAL A 18 -13.970 3.260 -8.144 1.00 0.00 N ATOM 290 CA VAL A 18 -13.506 1.935 -7.749 1.00 0.00 C ATOM 291 C VAL A 18 -13.277 1.924 -6.232 1.00 0.00 C ATOM 292 O VAL A 18 -12.744 2.879 -5.664 1.00 0.00 O ATOM 293 CB VAL A 18 -12.250 1.554 -8.564 1.00 0.00 C ATOM 294 CG1 VAL A 18 -11.714 0.172 -8.179 1.00 0.00 C ATOM 295 CG2 VAL A 18 -12.557 1.534 -10.075 1.00 0.00 C ATOM 0 H VAL A 18 -13.330 3.745 -8.773 1.00 0.00 H new ATOM 0 HA VAL A 18 -14.254 1.174 -7.970 1.00 0.00 H new ATOM 0 HB VAL A 18 -11.500 2.312 -8.336 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.831 -0.055 -8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -11.448 0.166 -7.122 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -12.481 -0.580 -8.364 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -11.656 1.263 -10.626 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -13.340 0.803 -10.278 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -12.892 2.522 -10.391 1.00 0.00 H new ATOM 305 N GLN A 19 -13.701 0.840 -5.579 1.00 0.00 N ATOM 306 CA GLN A 19 -13.560 0.653 -4.142 1.00 0.00 C ATOM 307 C GLN A 19 -12.071 0.677 -3.754 1.00 0.00 C ATOM 308 O GLN A 19 -11.230 0.132 -4.474 1.00 0.00 O ATOM 309 CB GLN A 19 -14.245 -0.674 -3.768 1.00 0.00 C ATOM 310 CG GLN A 19 -14.405 -0.882 -2.256 1.00 0.00 C ATOM 311 CD GLN A 19 -15.107 -2.209 -1.958 1.00 0.00 C ATOM 312 OE1 GLN A 19 -14.474 -3.259 -1.871 1.00 0.00 O ATOM 313 NE2 GLN A 19 -16.423 -2.206 -1.808 1.00 0.00 N ATOM 0 H GLN A 19 -14.159 0.057 -6.046 1.00 0.00 H new ATOM 0 HA GLN A 19 -14.039 1.461 -3.589 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -15.229 -0.709 -4.237 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.666 -1.500 -4.180 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -13.426 -0.869 -1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -14.979 -0.059 -1.830 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -16.943 -1.331 -1.881 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -16.917 -3.078 -1.619 1.00 0.00 H new ATOM 322 N GLY A 20 -11.752 1.264 -2.594 1.00 0.00 N ATOM 323 CA GLY A 20 -10.396 1.273 -2.054 1.00 0.00 C ATOM 324 C GLY A 20 -9.472 2.216 -2.828 1.00 0.00 C ATOM 325 O GLY A 20 -8.345 1.837 -3.151 1.00 0.00 O ATOM 0 H GLY A 20 -12.432 1.746 -2.006 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -10.426 1.575 -1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -9.988 0.263 -2.083 1.00 0.00 H new ATOM 329 N ALA A 21 -9.949 3.423 -3.150 1.00 0.00 N ATOM 330 CA ALA A 21 -9.221 4.440 -3.902 1.00 0.00 C ATOM 331 C ALA A 21 -9.485 5.832 -3.306 1.00 0.00 C ATOM 332 O ALA A 21 -10.251 5.979 -2.348 1.00 0.00 O ATOM 333 CB ALA A 21 -9.658 4.377 -5.373 1.00 0.00 C ATOM 0 H ALA A 21 -10.886 3.725 -2.883 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.149 4.252 -3.841 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.120 5.133 -5.945 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.435 3.389 -5.777 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.730 4.564 -5.443 1.00 0.00 H new ATOM 339 N ILE A 22 -8.864 6.851 -3.897 1.00 0.00 N ATOM 340 CA ILE A 22 -9.093 8.273 -3.644 1.00 0.00 C ATOM 341 C ILE A 22 -9.285 8.936 -5.020 1.00 0.00 C ATOM 342 O ILE A 22 -9.140 8.269 -6.048 1.00 0.00 O ATOM 343 CB ILE A 22 -7.911 8.828 -2.799 1.00 0.00 C ATOM 344 CG1 ILE A 22 -8.205 10.204 -2.164 1.00 0.00 C ATOM 345 CG2 ILE A 22 -6.604 8.894 -3.605 1.00 0.00 C ATOM 346 CD1 ILE A 22 -7.101 10.678 -1.210 1.00 0.00 C ATOM 0 H ILE A 22 -8.147 6.698 -4.606 1.00 0.00 H new ATOM 0 HA ILE A 22 -9.985 8.481 -3.054 1.00 0.00 H new ATOM 0 HB ILE A 22 -7.787 8.113 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.334 10.942 -2.956 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -9.148 10.152 -1.620 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -5.807 9.287 -2.974 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -6.336 7.894 -3.947 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.741 9.547 -4.467 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -7.369 11.651 -0.798 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.988 9.959 -0.399 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.161 10.761 -1.755 1.00 0.00 H new ATOM 358 N ASN A 23 -9.570 10.238 -5.072 1.00 0.00 N ATOM 359 CA ASN A 23 -9.558 11.016 -6.307 1.00 0.00 C ATOM 360 C ASN A 23 -8.721 12.262 -6.091 1.00 0.00 C ATOM 361 O ASN A 23 -8.831 12.918 -5.054 1.00 0.00 O ATOM 362 CB ASN A 23 -10.972 11.399 -6.741 1.00 0.00 C ATOM 363 CG ASN A 23 -11.030 12.578 -7.718 1.00 0.00 C ATOM 364 OD1 ASN A 23 -11.257 13.706 -7.301 1.00 0.00 O ATOM 365 ND2 ASN A 23 -10.852 12.372 -9.013 1.00 0.00 N ATOM 0 H ASN A 23 -9.818 10.786 -4.248 1.00 0.00 H new ATOM 0 HA ASN A 23 -9.127 10.407 -7.102 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.445 10.533 -7.205 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.558 11.646 -5.856 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -10.904 13.154 -9.666 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -10.663 11.431 -9.358 1.00 0.00 H new ATOM 372 N ILE A 24 -7.904 12.575 -7.089 1.00 0.00 N ATOM 373 CA ILE A 24 -7.105 13.779 -7.178 1.00 0.00 C ATOM 374 C ILE A 24 -7.202 14.155 -8.662 1.00 0.00 C ATOM 375 O ILE A 24 -6.516 13.537 -9.473 1.00 0.00 O ATOM 376 CB ILE A 24 -5.656 13.538 -6.698 1.00 0.00 C ATOM 377 CG1 ILE A 24 -5.599 13.008 -5.245 1.00 0.00 C ATOM 378 CG2 ILE A 24 -4.883 14.854 -6.823 1.00 0.00 C ATOM 379 CD1 ILE A 24 -4.182 12.765 -4.718 1.00 0.00 C ATOM 0 H ILE A 24 -7.778 11.963 -7.895 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.455 14.584 -6.532 1.00 0.00 H new ATOM 0 HB ILE A 24 -5.203 12.768 -7.323 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -6.100 13.721 -4.591 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -6.160 12.075 -5.189 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -3.856 14.706 -6.489 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.883 15.178 -7.864 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.359 15.616 -6.206 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -4.233 12.395 -3.694 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.682 12.028 -5.346 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.621 13.699 -4.738 1.00 0.00 H new ATOM 391 N PRO A 25 -8.099 15.078 -9.046 1.00 0.00 N ATOM 392 CA PRO A 25 -8.369 15.408 -10.442 1.00 0.00 C ATOM 393 C PRO A 25 -7.111 15.766 -11.228 1.00 0.00 C ATOM 394 O PRO A 25 -6.154 16.277 -10.653 1.00 0.00 O ATOM 395 CB PRO A 25 -9.316 16.607 -10.398 1.00 0.00 C ATOM 396 CG PRO A 25 -10.027 16.454 -9.057 1.00 0.00 C ATOM 397 CD PRO A 25 -8.956 15.849 -8.163 1.00 0.00 C ATOM 0 HA PRO A 25 -8.794 14.544 -10.954 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -8.772 17.550 -10.458 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -10.021 16.592 -11.229 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -10.376 17.413 -8.675 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.900 15.805 -9.136 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -8.391 16.626 -7.648 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -9.399 15.215 -7.395 1.00 0.00 H new ATOM 405 N LEU A 26 -7.140 15.633 -12.556 1.00 0.00 N ATOM 406 CA LEU A 26 -6.044 16.066 -13.430 1.00 0.00 C ATOM 407 C LEU A 26 -5.647 17.534 -13.184 1.00 0.00 C ATOM 408 O LEU A 26 -4.463 17.866 -13.226 1.00 0.00 O ATOM 409 CB LEU A 26 -6.447 15.823 -14.896 1.00 0.00 C ATOM 410 CG LEU A 26 -5.389 16.264 -15.928 1.00 0.00 C ATOM 411 CD1 LEU A 26 -4.106 15.433 -15.811 1.00 0.00 C ATOM 412 CD2 LEU A 26 -5.964 16.122 -17.340 1.00 0.00 C ATOM 0 H LEU A 26 -7.926 15.221 -13.058 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.157 15.476 -13.198 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -6.650 14.761 -15.033 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -7.377 16.354 -15.097 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.135 17.305 -15.728 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.384 15.772 -16.554 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.684 15.554 -14.813 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.337 14.382 -15.983 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -5.217 16.433 -18.070 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.235 15.082 -17.520 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -6.850 16.750 -17.437 1.00 0.00 H new ATOM 424 N LYS A 27 -6.616 18.409 -12.880 1.00 0.00 N ATOM 425 CA LYS A 27 -6.364 19.823 -12.569 1.00 0.00 C ATOM 426 C LYS A 27 -5.644 20.032 -11.229 1.00 0.00 C ATOM 427 O LYS A 27 -5.162 21.134 -10.969 1.00 0.00 O ATOM 428 CB LYS A 27 -7.690 20.606 -12.577 1.00 0.00 C ATOM 429 CG LYS A 27 -8.273 20.749 -13.993 1.00 0.00 C ATOM 430 CD LYS A 27 -9.554 21.599 -13.982 1.00 0.00 C ATOM 431 CE LYS A 27 -10.027 21.986 -15.393 1.00 0.00 C ATOM 432 NZ LYS A 27 -10.486 20.828 -16.203 1.00 0.00 N ATOM 0 H LYS A 27 -7.603 18.154 -12.843 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.697 20.199 -13.345 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -8.413 20.099 -11.938 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.528 21.596 -12.151 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -7.534 21.209 -14.649 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -8.491 19.762 -14.401 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -10.346 21.046 -13.477 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -9.378 22.505 -13.402 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.841 22.706 -15.310 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.212 22.485 -15.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -10.790 21.159 -17.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -9.705 20.149 -16.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -11.284 20.364 -15.724 1.00 0.00 H new ATOM 446 N GLU A 28 -5.571 19.011 -10.376 1.00 0.00 N ATOM 447 CA GLU A 28 -5.100 19.099 -8.996 1.00 0.00 C ATOM 448 C GLU A 28 -3.833 18.254 -8.814 1.00 0.00 C ATOM 449 O GLU A 28 -2.922 18.643 -8.081 1.00 0.00 O ATOM 450 CB GLU A 28 -6.217 18.579 -8.069 1.00 0.00 C ATOM 451 CG GLU A 28 -7.486 19.455 -8.038 1.00 0.00 C ATOM 452 CD GLU A 28 -7.235 20.795 -7.325 1.00 0.00 C ATOM 453 OE1 GLU A 28 -6.803 20.779 -6.149 1.00 0.00 O ATOM 454 OE2 GLU A 28 -7.487 21.866 -7.923 1.00 0.00 O ATOM 0 H GLU A 28 -5.849 18.065 -10.638 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.859 20.133 -8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.494 17.573 -8.384 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.822 18.498 -7.056 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.824 19.643 -9.057 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.287 18.917 -7.531 1.00 0.00 H new ATOM 461 N VAL A 29 -3.750 17.106 -9.494 1.00 0.00 N ATOM 462 CA VAL A 29 -2.722 16.093 -9.279 1.00 0.00 C ATOM 463 C VAL A 29 -1.319 16.661 -9.479 1.00 0.00 C ATOM 464 O VAL A 29 -0.418 16.281 -8.738 1.00 0.00 O ATOM 465 CB VAL A 29 -3.052 14.842 -10.133 1.00 0.00 C ATOM 466 CG1 VAL A 29 -2.759 15.023 -11.626 1.00 0.00 C ATOM 467 CG2 VAL A 29 -2.337 13.581 -9.635 1.00 0.00 C ATOM 0 H VAL A 29 -4.414 16.853 -10.226 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.724 15.768 -8.239 1.00 0.00 H new ATOM 0 HB VAL A 29 -4.128 14.715 -10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.014 14.108 -12.160 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -3.354 15.849 -12.016 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -1.700 15.241 -11.765 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -2.605 12.736 -10.270 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.259 13.735 -9.672 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.639 13.373 -8.608 1.00 0.00 H new ATOM 477 N LYS A 30 -1.140 17.624 -10.391 1.00 0.00 N ATOM 478 CA LYS A 30 0.172 18.186 -10.704 1.00 0.00 C ATOM 479 C LYS A 30 0.838 18.865 -9.505 1.00 0.00 C ATOM 480 O LYS A 30 2.064 18.968 -9.478 1.00 0.00 O ATOM 481 CB LYS A 30 0.049 19.135 -11.911 1.00 0.00 C ATOM 482 CG LYS A 30 1.391 19.342 -12.631 1.00 0.00 C ATOM 483 CD LYS A 30 1.213 20.173 -13.909 1.00 0.00 C ATOM 484 CE LYS A 30 2.566 20.354 -14.612 1.00 0.00 C ATOM 485 NZ LYS A 30 2.457 21.185 -15.837 1.00 0.00 N ATOM 0 H LYS A 30 -1.903 18.033 -10.931 1.00 0.00 H new ATOM 0 HA LYS A 30 0.835 17.361 -10.965 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -0.679 18.732 -12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.333 20.099 -11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.092 19.843 -11.963 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.826 18.374 -12.881 1.00 0.00 H new ATOM 0 HD2 LYS A 30 0.509 19.679 -14.579 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.789 21.146 -13.663 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.272 20.817 -13.923 1.00 0.00 H new ATOM 0 HE3 LYS A 30 2.971 19.376 -14.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.395 21.279 -16.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 1.804 20.731 -16.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 2.096 22.127 -15.586 1.00 0.00 H new ATOM 499 N GLU A 31 0.066 19.293 -8.505 1.00 0.00 N ATOM 500 CA GLU A 31 0.609 19.837 -7.264 1.00 0.00 C ATOM 501 C GLU A 31 0.325 18.893 -6.095 1.00 0.00 C ATOM 502 O GLU A 31 1.124 18.814 -5.160 1.00 0.00 O ATOM 503 CB GLU A 31 0.017 21.231 -6.999 1.00 0.00 C ATOM 504 CG GLU A 31 0.458 22.262 -8.049 1.00 0.00 C ATOM 505 CD GLU A 31 -0.055 23.672 -7.705 1.00 0.00 C ATOM 506 OE1 GLU A 31 0.650 24.425 -6.995 1.00 0.00 O ATOM 507 OE2 GLU A 31 -1.158 24.055 -8.157 1.00 0.00 O ATOM 0 H GLU A 31 -0.953 19.271 -8.535 1.00 0.00 H new ATOM 0 HA GLU A 31 1.690 19.933 -7.363 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.071 21.166 -6.992 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.322 21.571 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 31 1.546 22.275 -8.113 1.00 0.00 H new ATOM 0 HG3 GLU A 31 0.084 21.967 -9.030 1.00 0.00 H new ATOM 514 N ARG A 32 -0.788 18.151 -6.133 1.00 0.00 N ATOM 515 CA ARG A 32 -1.251 17.401 -4.962 1.00 0.00 C ATOM 516 C ARG A 32 -0.574 16.039 -4.845 1.00 0.00 C ATOM 517 O ARG A 32 -0.426 15.543 -3.726 1.00 0.00 O ATOM 518 CB ARG A 32 -2.789 17.319 -4.976 1.00 0.00 C ATOM 519 CG ARG A 32 -3.383 16.894 -3.616 1.00 0.00 C ATOM 520 CD ARG A 32 -4.909 17.076 -3.507 1.00 0.00 C ATOM 521 NE ARG A 32 -5.371 18.434 -3.868 1.00 0.00 N ATOM 522 CZ ARG A 32 -5.345 19.526 -3.093 1.00 0.00 C ATOM 523 NH1 ARG A 32 -4.878 19.472 -1.847 1.00 0.00 N ATOM 524 NH2 ARG A 32 -5.793 20.677 -3.580 1.00 0.00 N ATOM 0 H ARG A 32 -1.381 18.055 -6.957 1.00 0.00 H new ATOM 0 HA ARG A 32 -0.956 17.937 -4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -3.197 18.290 -5.257 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -3.102 16.609 -5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -3.140 15.846 -3.438 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -2.902 17.471 -2.826 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -5.400 16.350 -4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -5.221 16.855 -2.486 1.00 0.00 H new ATOM 0 HE ARG A 32 -5.750 18.551 -4.808 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -4.533 18.589 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -4.865 20.313 -1.270 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -6.151 20.722 -4.534 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -5.779 21.516 -3.000 1.00 0.00 H new ATOM 538 N ILE A 33 -0.108 15.436 -5.946 1.00 0.00 N ATOM 539 CA ILE A 33 0.558 14.135 -5.877 1.00 0.00 C ATOM 540 C ILE A 33 1.822 14.214 -5.013 1.00 0.00 C ATOM 541 O ILE A 33 2.090 13.284 -4.257 1.00 0.00 O ATOM 542 CB ILE A 33 0.813 13.558 -7.288 1.00 0.00 C ATOM 543 CG1 ILE A 33 1.169 12.055 -7.225 1.00 0.00 C ATOM 544 CG2 ILE A 33 1.880 14.333 -8.087 1.00 0.00 C ATOM 545 CD1 ILE A 33 -0.028 11.154 -6.906 1.00 0.00 C ATOM 0 H ILE A 33 -0.180 15.826 -6.886 1.00 0.00 H new ATOM 0 HA ILE A 33 -0.108 13.428 -5.383 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.126 13.677 -7.828 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.597 11.751 -8.180 1.00 0.00 H new ATOM 0 HG13 ILE A 33 1.939 11.904 -6.468 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.007 13.872 -9.067 1.00 0.00 H new ATOM 0 HG22 ILE A 33 1.561 15.368 -8.211 1.00 0.00 H new ATOM 0 HG23 ILE A 33 2.827 14.307 -7.549 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.297 10.114 -6.878 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.444 11.431 -5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.790 11.276 -7.676 1.00 0.00 H new ATOM 557 N ALA A 34 2.526 15.352 -5.024 1.00 0.00 N ATOM 558 CA ALA A 34 3.717 15.575 -4.209 1.00 0.00 C ATOM 559 C ALA A 34 3.436 15.544 -2.695 1.00 0.00 C ATOM 560 O ALA A 34 4.385 15.544 -1.911 1.00 0.00 O ATOM 561 CB ALA A 34 4.359 16.908 -4.615 1.00 0.00 C ATOM 0 H ALA A 34 2.278 16.151 -5.608 1.00 0.00 H new ATOM 0 HA ALA A 34 4.404 14.750 -4.399 1.00 0.00 H new ATOM 0 HB1 ALA A 34 5.249 17.082 -4.011 1.00 0.00 H new ATOM 0 HB2 ALA A 34 4.637 16.872 -5.668 1.00 0.00 H new ATOM 0 HB3 ALA A 34 3.648 17.718 -4.455 1.00 0.00 H new ATOM 567 N THR A 35 2.165 15.509 -2.276 1.00 0.00 N ATOM 568 CA THR A 35 1.756 15.411 -0.878 1.00 0.00 C ATOM 569 C THR A 35 1.022 14.080 -0.639 1.00 0.00 C ATOM 570 O THR A 35 1.224 13.456 0.404 1.00 0.00 O ATOM 571 CB THR A 35 0.890 16.639 -0.525 1.00 0.00 C ATOM 572 OG1 THR A 35 1.534 17.839 -0.925 1.00 0.00 O ATOM 573 CG2 THR A 35 0.605 16.750 0.976 1.00 0.00 C ATOM 0 H THR A 35 1.375 15.549 -2.920 1.00 0.00 H new ATOM 0 HA THR A 35 2.625 15.414 -0.220 1.00 0.00 H new ATOM 0 HB THR A 35 -0.051 16.500 -1.058 1.00 0.00 H new ATOM 0 HG1 THR A 35 0.969 18.606 -0.694 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.008 17.631 1.166 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.074 15.860 1.312 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.546 16.838 1.519 1.00 0.00 H new ATOM 581 N ALA A 36 0.215 13.607 -1.600 1.00 0.00 N ATOM 582 CA ALA A 36 -0.496 12.335 -1.484 1.00 0.00 C ATOM 583 C ALA A 36 0.452 11.131 -1.582 1.00 0.00 C ATOM 584 O ALA A 36 0.262 10.143 -0.872 1.00 0.00 O ATOM 585 CB ALA A 36 -1.563 12.252 -2.579 1.00 0.00 C ATOM 0 H ALA A 36 0.040 14.098 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.963 12.298 -0.500 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -2.096 11.305 -2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.267 13.076 -2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -1.086 12.316 -3.557 1.00 0.00 H new ATOM 591 N VAL A 37 1.466 11.214 -2.448 1.00 0.00 N ATOM 592 CA VAL A 37 2.434 10.160 -2.733 1.00 0.00 C ATOM 593 C VAL A 37 3.801 10.856 -2.871 1.00 0.00 C ATOM 594 O VAL A 37 4.289 11.055 -3.986 1.00 0.00 O ATOM 595 CB VAL A 37 2.022 9.340 -3.986 1.00 0.00 C ATOM 596 CG1 VAL A 37 2.905 8.089 -4.122 1.00 0.00 C ATOM 597 CG2 VAL A 37 0.556 8.874 -3.956 1.00 0.00 C ATOM 0 H VAL A 37 1.639 12.059 -2.993 1.00 0.00 H new ATOM 0 HA VAL A 37 2.481 9.422 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 37 2.152 10.015 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.604 7.525 -5.005 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.948 8.389 -4.222 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.790 7.465 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.336 8.307 -4.861 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.393 8.242 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.101 9.742 -3.903 1.00 0.00 H new ATOM 607 N PRO A 38 4.410 11.311 -1.759 1.00 0.00 N ATOM 608 CA PRO A 38 5.650 12.078 -1.809 1.00 0.00 C ATOM 609 C PRO A 38 6.837 11.222 -2.276 1.00 0.00 C ATOM 610 O PRO A 38 7.790 11.755 -2.847 1.00 0.00 O ATOM 611 CB PRO A 38 5.855 12.612 -0.387 1.00 0.00 C ATOM 612 CG PRO A 38 5.133 11.594 0.493 1.00 0.00 C ATOM 613 CD PRO A 38 3.965 11.141 -0.382 1.00 0.00 C ATOM 0 HA PRO A 38 5.588 12.889 -2.535 1.00 0.00 H new ATOM 0 HB2 PRO A 38 6.913 12.680 -0.134 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.435 13.611 -0.270 1.00 0.00 H new ATOM 0 HG2 PRO A 38 5.783 10.761 0.760 1.00 0.00 H new ATOM 0 HG3 PRO A 38 4.788 12.041 1.425 1.00 0.00 H new ATOM 0 HD2 PRO A 38 3.706 10.102 -0.181 1.00 0.00 H new ATOM 0 HD3 PRO A 38 3.074 11.736 -0.183 1.00 0.00 H new ATOM 621 N ASP A 39 6.795 9.904 -2.043 1.00 0.00 N ATOM 622 CA ASP A 39 7.797 8.967 -2.539 1.00 0.00 C ATOM 623 C ASP A 39 7.546 8.716 -4.027 1.00 0.00 C ATOM 624 O ASP A 39 6.636 7.970 -4.396 1.00 0.00 O ATOM 625 CB ASP A 39 7.763 7.655 -1.742 1.00 0.00 C ATOM 626 CG ASP A 39 8.812 6.636 -2.232 1.00 0.00 C ATOM 627 OD1 ASP A 39 9.627 6.956 -3.125 1.00 0.00 O ATOM 628 OD2 ASP A 39 8.848 5.515 -1.676 1.00 0.00 O ATOM 0 H ASP A 39 6.055 9.459 -1.499 1.00 0.00 H new ATOM 0 HA ASP A 39 8.791 9.395 -2.410 1.00 0.00 H new ATOM 0 HB2 ASP A 39 7.936 7.870 -0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 39 6.769 7.213 -1.819 1.00 0.00 H new ATOM 633 N LYS A 40 8.342 9.351 -4.893 1.00 0.00 N ATOM 634 CA LYS A 40 8.217 9.204 -6.345 1.00 0.00 C ATOM 635 C LYS A 40 8.653 7.821 -6.846 1.00 0.00 C ATOM 636 O LYS A 40 8.501 7.543 -8.036 1.00 0.00 O ATOM 637 CB LYS A 40 8.974 10.328 -7.075 1.00 0.00 C ATOM 638 CG LYS A 40 8.491 11.726 -6.647 1.00 0.00 C ATOM 639 CD LYS A 40 8.898 12.841 -7.621 1.00 0.00 C ATOM 640 CE LYS A 40 10.422 12.961 -7.768 1.00 0.00 C ATOM 641 NZ LYS A 40 10.806 14.136 -8.587 1.00 0.00 N ATOM 0 H LYS A 40 9.091 9.981 -4.606 1.00 0.00 H new ATOM 0 HA LYS A 40 7.156 9.291 -6.580 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.041 10.236 -6.873 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.842 10.213 -8.151 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.405 11.714 -6.555 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.892 11.953 -5.659 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.456 12.646 -8.598 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.493 13.791 -7.272 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.877 13.042 -6.781 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.815 12.054 -8.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.818 14.081 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.249 14.144 -9.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.621 15.008 -8.051 1.00 0.00 H new ATOM 655 N ASN A 41 9.177 6.949 -5.979 1.00 0.00 N ATOM 656 CA ASN A 41 9.620 5.603 -6.324 1.00 0.00 C ATOM 657 C ASN A 41 8.694 4.564 -5.679 1.00 0.00 C ATOM 658 O ASN A 41 9.138 3.533 -5.170 1.00 0.00 O ATOM 659 CB ASN A 41 11.106 5.410 -5.981 1.00 0.00 C ATOM 660 CG ASN A 41 11.653 4.099 -6.548 1.00 0.00 C ATOM 661 OD1 ASN A 41 11.362 3.721 -7.681 1.00 0.00 O ATOM 662 ND2 ASN A 41 12.476 3.387 -5.795 1.00 0.00 N ATOM 0 H ASN A 41 9.306 7.170 -4.992 1.00 0.00 H new ATOM 0 HA ASN A 41 9.547 5.456 -7.402 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.682 6.246 -6.377 1.00 0.00 H new ATOM 0 HB3 ASN A 41 11.234 5.419 -4.899 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.873 2.519 -6.154 1.00 0.00 H new ATOM 0 HD22 ASN A 41 12.713 3.707 -4.856 1.00 0.00 H new ATOM 669 N ASP A 42 7.391 4.856 -5.676 1.00 0.00 N ATOM 670 CA ASP A 42 6.326 3.924 -5.314 1.00 0.00 C ATOM 671 C ASP A 42 5.216 4.039 -6.360 1.00 0.00 C ATOM 672 O ASP A 42 5.047 5.102 -6.969 1.00 0.00 O ATOM 673 CB ASP A 42 5.789 4.218 -3.911 1.00 0.00 C ATOM 674 CG ASP A 42 4.779 3.145 -3.487 1.00 0.00 C ATOM 675 OD1 ASP A 42 5.181 1.964 -3.394 1.00 0.00 O ATOM 676 OD2 ASP A 42 3.604 3.480 -3.230 1.00 0.00 O ATOM 0 H ASP A 42 7.039 5.778 -5.934 1.00 0.00 H new ATOM 0 HA ASP A 42 6.717 2.907 -5.297 1.00 0.00 H new ATOM 0 HB2 ASP A 42 6.614 4.251 -3.199 1.00 0.00 H new ATOM 0 HB3 ASP A 42 5.314 5.199 -3.895 1.00 0.00 H new ATOM 681 N THR A 43 4.493 2.947 -6.602 1.00 0.00 N ATOM 682 CA THR A 43 3.579 2.829 -7.728 1.00 0.00 C ATOM 683 C THR A 43 2.363 3.747 -7.554 1.00 0.00 C ATOM 684 O THR A 43 1.912 4.002 -6.433 1.00 0.00 O ATOM 685 CB THR A 43 3.126 1.360 -7.873 1.00 0.00 C ATOM 686 OG1 THR A 43 4.079 0.431 -7.389 1.00 0.00 O ATOM 687 CG2 THR A 43 2.797 0.999 -9.326 1.00 0.00 C ATOM 0 H THR A 43 4.528 2.114 -6.015 1.00 0.00 H new ATOM 0 HA THR A 43 4.102 3.139 -8.633 1.00 0.00 H new ATOM 0 HB THR A 43 2.227 1.288 -7.261 1.00 0.00 H new ATOM 0 HG1 THR A 43 3.959 0.312 -6.424 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.483 -0.043 -9.380 1.00 0.00 H new ATOM 0 HG22 THR A 43 1.992 1.639 -9.687 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.682 1.144 -9.946 1.00 0.00 H new ATOM 695 N VAL A 44 1.753 4.154 -8.668 1.00 0.00 N ATOM 696 CA VAL A 44 0.460 4.824 -8.680 1.00 0.00 C ATOM 697 C VAL A 44 -0.360 4.150 -9.780 1.00 0.00 C ATOM 698 O VAL A 44 0.162 3.863 -10.862 1.00 0.00 O ATOM 699 CB VAL A 44 0.618 6.349 -8.892 1.00 0.00 C ATOM 700 CG1 VAL A 44 -0.730 7.053 -8.691 1.00 0.00 C ATOM 701 CG2 VAL A 44 1.630 6.992 -7.928 1.00 0.00 C ATOM 0 H VAL A 44 2.152 4.024 -9.598 1.00 0.00 H new ATOM 0 HA VAL A 44 -0.052 4.729 -7.722 1.00 0.00 H new ATOM 0 HB VAL A 44 0.986 6.472 -9.911 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -0.607 8.125 -8.843 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.453 6.666 -9.409 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.089 6.869 -7.679 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.694 8.061 -8.128 1.00 0.00 H new ATOM 0 HG22 VAL A 44 1.304 6.834 -6.900 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.610 6.536 -8.072 1.00 0.00 H new ATOM 711 N LYS A 45 -1.635 3.887 -9.505 1.00 0.00 N ATOM 712 CA LYS A 45 -2.593 3.371 -10.472 1.00 0.00 C ATOM 713 C LYS A 45 -3.570 4.510 -10.721 1.00 0.00 C ATOM 714 O LYS A 45 -4.122 5.049 -9.757 1.00 0.00 O ATOM 715 CB LYS A 45 -3.318 2.131 -9.914 1.00 0.00 C ATOM 716 CG LYS A 45 -2.408 0.965 -9.493 1.00 0.00 C ATOM 717 CD LYS A 45 -1.518 0.427 -10.622 1.00 0.00 C ATOM 718 CE LYS A 45 -0.830 -0.864 -10.153 1.00 0.00 C ATOM 719 NZ LYS A 45 0.071 -1.436 -11.184 1.00 0.00 N ATOM 0 H LYS A 45 -2.038 4.031 -8.579 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.107 3.052 -11.394 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -3.911 2.436 -9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.016 1.770 -10.669 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -1.774 1.292 -8.669 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -3.028 0.152 -9.115 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -2.117 0.231 -11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -0.771 1.171 -10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.257 -0.658 -9.249 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.589 -1.601 -9.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.444 -2.348 -10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -0.459 -1.580 -12.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 0.860 -0.781 -11.357 1.00 0.00 H new ATOM 733 N VAL A 46 -3.781 4.882 -11.982 1.00 0.00 N ATOM 734 CA VAL A 46 -4.631 6.012 -12.342 1.00 0.00 C ATOM 735 C VAL A 46 -5.755 5.527 -13.247 1.00 0.00 C ATOM 736 O VAL A 46 -5.546 4.661 -14.102 1.00 0.00 O ATOM 737 CB VAL A 46 -3.808 7.177 -12.940 1.00 0.00 C ATOM 738 CG1 VAL A 46 -2.883 7.797 -11.882 1.00 0.00 C ATOM 739 CG2 VAL A 46 -2.951 6.791 -14.158 1.00 0.00 C ATOM 0 H VAL A 46 -3.366 4.407 -12.783 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.091 6.427 -11.445 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.556 7.894 -13.279 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.316 8.614 -12.328 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.481 8.180 -11.055 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -2.195 7.038 -11.511 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.408 7.667 -14.513 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.241 6.015 -13.872 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.596 6.417 -14.953 1.00 0.00 H new ATOM 749 N TYR A 47 -6.952 6.077 -13.068 1.00 0.00 N ATOM 750 CA TYR A 47 -8.119 5.801 -13.893 1.00 0.00 C ATOM 751 C TYR A 47 -9.040 7.021 -13.834 1.00 0.00 C ATOM 752 O TYR A 47 -8.812 7.946 -13.050 1.00 0.00 O ATOM 753 CB TYR A 47 -8.828 4.518 -13.434 1.00 0.00 C ATOM 754 CG TYR A 47 -9.545 4.609 -12.102 1.00 0.00 C ATOM 755 CD1 TYR A 47 -8.824 4.498 -10.897 1.00 0.00 C ATOM 756 CD2 TYR A 47 -10.938 4.810 -12.075 1.00 0.00 C ATOM 757 CE1 TYR A 47 -9.490 4.599 -9.664 1.00 0.00 C ATOM 758 CE2 TYR A 47 -11.610 4.908 -10.846 1.00 0.00 C ATOM 759 CZ TYR A 47 -10.888 4.805 -9.638 1.00 0.00 C ATOM 760 OH TYR A 47 -11.553 4.920 -8.455 1.00 0.00 O ATOM 0 H TYR A 47 -7.140 6.747 -12.322 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.820 5.627 -14.927 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -9.551 4.231 -14.197 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.091 3.717 -13.376 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -7.757 4.335 -10.921 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.490 4.889 -13.000 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.936 4.520 -8.740 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -12.679 5.062 -10.825 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.098 5.576 -7.887 1.00 0.00 H new ATOM 770 N CYS A 48 -10.050 7.060 -14.695 1.00 0.00 N ATOM 771 CA CYS A 48 -11.078 8.086 -14.699 1.00 0.00 C ATOM 772 C CYS A 48 -12.329 7.472 -15.329 1.00 0.00 C ATOM 773 O CYS A 48 -12.484 6.249 -15.325 1.00 0.00 O ATOM 774 CB CYS A 48 -10.562 9.351 -15.420 1.00 0.00 C ATOM 775 SG CYS A 48 -10.097 9.022 -17.140 1.00 0.00 S ATOM 0 H CYS A 48 -10.177 6.360 -15.426 1.00 0.00 H new ATOM 0 HA CYS A 48 -11.335 8.418 -13.693 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -11.334 10.120 -15.396 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -9.700 9.747 -14.882 1.00 0.00 H new ATOM 0 HG CYS A 48 -8.906 8.503 -17.176 1.00 0.00 H new ATOM 781 N ASN A 49 -13.217 8.298 -15.890 1.00 0.00 N ATOM 782 CA ASN A 49 -14.428 7.834 -16.563 1.00 0.00 C ATOM 783 C ASN A 49 -14.095 6.829 -17.676 1.00 0.00 C ATOM 784 O ASN A 49 -14.751 5.792 -17.769 1.00 0.00 O ATOM 785 CB ASN A 49 -15.191 9.050 -17.128 1.00 0.00 C ATOM 786 CG ASN A 49 -16.630 8.738 -17.556 1.00 0.00 C ATOM 787 OD1 ASN A 49 -17.531 9.538 -17.325 1.00 0.00 O ATOM 788 ND2 ASN A 49 -16.899 7.600 -18.176 1.00 0.00 N ATOM 0 H ASN A 49 -13.113 9.313 -15.889 1.00 0.00 H new ATOM 0 HA ASN A 49 -15.060 7.317 -15.841 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.209 9.837 -16.374 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.645 9.443 -17.986 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -17.855 7.388 -18.462 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -16.150 6.935 -18.368 1.00 0.00 H new ATOM 795 N ALA A 50 -13.111 7.139 -18.527 1.00 0.00 N ATOM 796 CA ALA A 50 -12.799 6.355 -19.726 1.00 0.00 C ATOM 797 C ALA A 50 -11.295 6.192 -19.996 1.00 0.00 C ATOM 798 O ALA A 50 -10.893 5.112 -20.430 1.00 0.00 O ATOM 799 CB ALA A 50 -13.482 7.005 -20.937 1.00 0.00 C ATOM 0 H ALA A 50 -12.503 7.949 -18.401 1.00 0.00 H new ATOM 0 HA ALA A 50 -13.178 5.348 -19.552 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.256 6.429 -21.835 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -14.560 7.024 -20.780 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.115 8.024 -21.058 1.00 0.00 H new ATOM 805 N GLY A 51 -10.460 7.210 -19.738 1.00 0.00 N ATOM 806 CA GLY A 51 -9.002 7.068 -19.815 1.00 0.00 C ATOM 807 C GLY A 51 -8.224 8.360 -20.085 1.00 0.00 C ATOM 808 O GLY A 51 -7.046 8.421 -19.738 1.00 0.00 O ATOM 0 H GLY A 51 -10.774 8.144 -19.473 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -8.647 6.640 -18.877 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -8.766 6.352 -20.602 1.00 0.00 H new ATOM 812 N ARG A 52 -8.828 9.402 -20.681 1.00 0.00 N ATOM 813 CA ARG A 52 -8.091 10.618 -21.077 1.00 0.00 C ATOM 814 C ARG A 52 -7.408 11.287 -19.906 1.00 0.00 C ATOM 815 O ARG A 52 -6.197 11.483 -19.975 1.00 0.00 O ATOM 816 CB ARG A 52 -8.982 11.615 -21.836 1.00 0.00 C ATOM 817 CG ARG A 52 -9.459 11.061 -23.189 1.00 0.00 C ATOM 818 CD ARG A 52 -10.252 12.099 -23.998 1.00 0.00 C ATOM 819 NE ARG A 52 -11.505 12.505 -23.330 1.00 0.00 N ATOM 820 CZ ARG A 52 -12.680 11.861 -23.380 1.00 0.00 C ATOM 821 NH1 ARG A 52 -12.808 10.725 -24.063 1.00 0.00 N ATOM 822 NH2 ARG A 52 -13.730 12.361 -22.737 1.00 0.00 N ATOM 0 H ARG A 52 -9.824 9.428 -20.900 1.00 0.00 H new ATOM 0 HA ARG A 52 -7.310 10.285 -21.761 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -9.848 11.864 -21.223 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -8.430 12.540 -21.999 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -8.596 10.733 -23.769 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -10.082 10.183 -23.020 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -9.630 12.979 -24.161 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -10.485 11.687 -24.980 1.00 0.00 H new ATOM 0 HE ARG A 52 -11.473 13.360 -22.775 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -12.006 10.334 -24.557 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -13.708 10.246 -24.092 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -13.639 13.229 -22.210 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -14.627 11.876 -22.771 1.00 0.00 H new ATOM 836 N GLN A 53 -8.135 11.565 -18.823 1.00 0.00 N ATOM 837 CA GLN A 53 -7.534 12.198 -17.652 1.00 0.00 C ATOM 838 C GLN A 53 -6.391 11.326 -17.108 1.00 0.00 C ATOM 839 O GLN A 53 -5.410 11.868 -16.614 1.00 0.00 O ATOM 840 CB GLN A 53 -8.576 12.518 -16.559 1.00 0.00 C ATOM 841 CG GLN A 53 -9.484 13.738 -16.825 1.00 0.00 C ATOM 842 CD GLN A 53 -10.322 13.627 -18.103 1.00 0.00 C ATOM 843 OE1 GLN A 53 -10.196 14.433 -19.019 1.00 0.00 O ATOM 844 NE2 GLN A 53 -11.183 12.623 -18.208 1.00 0.00 N ATOM 0 H GLN A 53 -9.131 11.364 -18.734 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.120 13.156 -17.966 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -9.210 11.642 -16.422 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -8.049 12.681 -15.619 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -10.153 13.872 -15.975 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -8.864 14.632 -16.886 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -11.284 11.956 -17.443 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -11.744 12.519 -19.053 1.00 0.00 H new ATOM 853 N SER A 54 -6.478 9.997 -17.224 1.00 0.00 N ATOM 854 CA SER A 54 -5.472 9.057 -16.739 1.00 0.00 C ATOM 855 C SER A 54 -4.210 9.058 -17.593 1.00 0.00 C ATOM 856 O SER A 54 -3.113 9.106 -17.041 1.00 0.00 O ATOM 857 CB SER A 54 -6.082 7.658 -16.692 1.00 0.00 C ATOM 858 OG SER A 54 -7.404 7.740 -16.196 1.00 0.00 O ATOM 0 H SER A 54 -7.272 9.537 -17.670 1.00 0.00 H new ATOM 0 HA SER A 54 -5.170 9.372 -15.740 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.082 7.215 -17.688 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.482 7.009 -16.055 1.00 0.00 H new ATOM 0 HG SER A 54 -7.932 6.993 -16.548 1.00 0.00 H new ATOM 864 N GLY A 55 -4.338 9.045 -18.922 1.00 0.00 N ATOM 865 CA GLY A 55 -3.190 9.141 -19.816 1.00 0.00 C ATOM 866 C GLY A 55 -2.517 10.499 -19.642 1.00 0.00 C ATOM 867 O GLY A 55 -1.302 10.581 -19.462 1.00 0.00 O ATOM 0 H GLY A 55 -5.235 8.968 -19.402 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -2.481 8.342 -19.600 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.510 9.012 -20.850 1.00 0.00 H new ATOM 871 N GLN A 56 -3.327 11.558 -19.601 1.00 0.00 N ATOM 872 CA GLN A 56 -2.885 12.919 -19.348 1.00 0.00 C ATOM 873 C GLN A 56 -2.144 13.016 -18.003 1.00 0.00 C ATOM 874 O GLN A 56 -1.077 13.630 -17.935 1.00 0.00 O ATOM 875 CB GLN A 56 -4.111 13.843 -19.418 1.00 0.00 C ATOM 876 CG GLN A 56 -4.503 14.174 -20.865 1.00 0.00 C ATOM 877 CD GLN A 56 -5.747 15.065 -20.912 1.00 0.00 C ATOM 878 OE1 GLN A 56 -6.868 14.614 -20.692 1.00 0.00 O ATOM 879 NE2 GLN A 56 -5.585 16.348 -21.195 1.00 0.00 N ATOM 0 H GLN A 56 -4.334 11.485 -19.747 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.167 13.234 -20.105 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.952 13.367 -18.915 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.899 14.767 -18.880 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -3.674 14.676 -21.363 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.693 13.251 -21.413 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -4.651 16.716 -21.377 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -6.394 16.968 -21.231 1.00 0.00 H new ATOM 888 N ALA A 57 -2.661 12.380 -16.944 1.00 0.00 N ATOM 889 CA ALA A 57 -2.009 12.349 -15.641 1.00 0.00 C ATOM 890 C ALA A 57 -0.701 11.557 -15.704 1.00 0.00 C ATOM 891 O ALA A 57 0.304 12.001 -15.156 1.00 0.00 O ATOM 892 CB ALA A 57 -2.947 11.765 -14.578 1.00 0.00 C ATOM 0 H ALA A 57 -3.546 11.873 -16.973 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.770 13.374 -15.358 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.440 11.751 -13.613 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -3.844 12.380 -14.508 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.224 10.748 -14.857 1.00 0.00 H new ATOM 898 N LYS A 58 -0.673 10.404 -16.382 1.00 0.00 N ATOM 899 CA LYS A 58 0.544 9.604 -16.495 1.00 0.00 C ATOM 900 C LYS A 58 1.656 10.411 -17.161 1.00 0.00 C ATOM 901 O LYS A 58 2.804 10.296 -16.732 1.00 0.00 O ATOM 902 CB LYS A 58 0.259 8.284 -17.232 1.00 0.00 C ATOM 903 CG LYS A 58 1.489 7.362 -17.202 1.00 0.00 C ATOM 904 CD LYS A 58 1.222 6.014 -17.886 1.00 0.00 C ATOM 905 CE LYS A 58 2.450 5.089 -17.829 1.00 0.00 C ATOM 906 NZ LYS A 58 3.621 5.615 -18.581 1.00 0.00 N ATOM 0 H LYS A 58 -1.482 10.007 -16.860 1.00 0.00 H new ATOM 0 HA LYS A 58 0.890 9.344 -15.495 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -0.589 7.780 -16.769 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.019 8.492 -18.265 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.325 7.858 -17.695 1.00 0.00 H new ATOM 0 HG3 LYS A 58 1.786 7.190 -16.168 1.00 0.00 H new ATOM 0 HD2 LYS A 58 0.376 5.524 -17.405 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.943 6.183 -18.926 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.734 4.938 -16.788 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.179 4.112 -18.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 4.390 4.915 -18.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 3.347 5.798 -19.567 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 3.946 6.500 -18.142 1.00 0.00 H new ATOM 920 N GLU A 59 1.348 11.236 -18.164 1.00 0.00 N ATOM 921 CA GLU A 59 2.356 12.056 -18.828 1.00 0.00 C ATOM 922 C GLU A 59 3.012 13.019 -17.832 1.00 0.00 C ATOM 923 O GLU A 59 4.239 13.013 -17.713 1.00 0.00 O ATOM 924 CB GLU A 59 1.759 12.814 -20.025 1.00 0.00 C ATOM 925 CG GLU A 59 1.503 11.889 -21.224 1.00 0.00 C ATOM 926 CD GLU A 59 0.965 12.672 -22.436 1.00 0.00 C ATOM 927 OE1 GLU A 59 -0.268 12.844 -22.565 1.00 0.00 O ATOM 928 OE2 GLU A 59 1.773 13.107 -23.289 1.00 0.00 O ATOM 0 H GLU A 59 0.404 11.352 -18.533 1.00 0.00 H new ATOM 0 HA GLU A 59 3.129 11.392 -19.215 1.00 0.00 H new ATOM 0 HB2 GLU A 59 0.823 13.286 -19.725 1.00 0.00 H new ATOM 0 HB3 GLU A 59 2.438 13.613 -20.323 1.00 0.00 H new ATOM 0 HG2 GLU A 59 2.428 11.383 -21.498 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.788 11.116 -20.942 1.00 0.00 H new ATOM 935 N ILE A 60 2.238 13.813 -17.078 1.00 0.00 N ATOM 936 CA ILE A 60 2.826 14.753 -16.133 1.00 0.00 C ATOM 937 C ILE A 60 3.506 14.023 -14.971 1.00 0.00 C ATOM 938 O ILE A 60 4.538 14.490 -14.504 1.00 0.00 O ATOM 939 CB ILE A 60 1.787 15.789 -15.661 1.00 0.00 C ATOM 940 CG1 ILE A 60 0.601 15.133 -14.927 1.00 0.00 C ATOM 941 CG2 ILE A 60 1.332 16.637 -16.866 1.00 0.00 C ATOM 942 CD1 ILE A 60 -0.457 16.109 -14.429 1.00 0.00 C ATOM 0 H ILE A 60 1.218 13.819 -17.108 1.00 0.00 H new ATOM 0 HA ILE A 60 3.610 15.309 -16.648 1.00 0.00 H new ATOM 0 HB ILE A 60 2.255 16.446 -14.928 1.00 0.00 H new ATOM 0 HG12 ILE A 60 0.128 14.416 -15.598 1.00 0.00 H new ATOM 0 HG13 ILE A 60 0.984 14.569 -14.077 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.597 17.371 -16.537 1.00 0.00 H new ATOM 0 HG22 ILE A 60 2.192 17.151 -17.294 1.00 0.00 H new ATOM 0 HG23 ILE A 60 0.885 15.988 -17.619 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.252 15.558 -13.926 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.004 16.812 -13.730 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -0.874 16.656 -15.274 1.00 0.00 H new ATOM 954 N LEU A 61 2.998 12.868 -14.532 1.00 0.00 N ATOM 955 CA LEU A 61 3.634 12.091 -13.471 1.00 0.00 C ATOM 956 C LEU A 61 4.993 11.571 -13.937 1.00 0.00 C ATOM 957 O LEU A 61 5.961 11.613 -13.176 1.00 0.00 O ATOM 958 CB LEU A 61 2.727 10.925 -13.041 1.00 0.00 C ATOM 959 CG LEU A 61 1.480 11.364 -12.249 1.00 0.00 C ATOM 960 CD1 LEU A 61 0.484 10.206 -12.116 1.00 0.00 C ATOM 961 CD2 LEU A 61 1.850 11.856 -10.851 1.00 0.00 C ATOM 0 H LEU A 61 2.143 12.451 -14.899 1.00 0.00 H new ATOM 0 HA LEU A 61 3.789 12.740 -12.609 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.408 10.379 -13.929 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.307 10.232 -12.432 1.00 0.00 H new ATOM 0 HG LEU A 61 1.022 12.182 -12.805 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.388 10.539 -11.553 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.173 9.878 -13.108 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.959 9.376 -11.592 1.00 0.00 H new ATOM 0 HD21 LEU A 61 0.947 12.158 -10.321 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.343 11.054 -10.302 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.525 12.708 -10.932 1.00 0.00 H new ATOM 973 N SER A 62 5.088 11.129 -15.192 1.00 0.00 N ATOM 974 CA SER A 62 6.346 10.697 -15.781 1.00 0.00 C ATOM 975 C SER A 62 7.316 11.882 -15.868 1.00 0.00 C ATOM 976 O SER A 62 8.490 11.734 -15.531 1.00 0.00 O ATOM 977 CB SER A 62 6.095 10.070 -17.159 1.00 0.00 C ATOM 978 OG SER A 62 5.141 9.020 -17.084 1.00 0.00 O ATOM 0 H SER A 62 4.291 11.062 -15.825 1.00 0.00 H new ATOM 0 HA SER A 62 6.802 9.936 -15.148 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.742 10.836 -17.850 1.00 0.00 H new ATOM 0 HB3 SER A 62 7.032 9.685 -17.561 1.00 0.00 H new ATOM 0 HG SER A 62 4.239 9.391 -17.177 1.00 0.00 H new ATOM 984 N GLU A 63 6.834 13.071 -16.251 1.00 0.00 N ATOM 985 CA GLU A 63 7.649 14.283 -16.327 1.00 0.00 C ATOM 986 C GLU A 63 8.143 14.704 -14.932 1.00 0.00 C ATOM 987 O GLU A 63 9.305 15.084 -14.776 1.00 0.00 O ATOM 988 CB GLU A 63 6.836 15.394 -17.012 1.00 0.00 C ATOM 989 CG GLU A 63 7.676 16.647 -17.294 1.00 0.00 C ATOM 990 CD GLU A 63 6.872 17.702 -18.075 1.00 0.00 C ATOM 991 OE1 GLU A 63 6.193 18.545 -17.446 1.00 0.00 O ATOM 992 OE2 GLU A 63 6.931 17.718 -19.326 1.00 0.00 O ATOM 0 H GLU A 63 5.860 13.217 -16.518 1.00 0.00 H new ATOM 0 HA GLU A 63 8.540 14.088 -16.924 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.427 15.016 -17.949 1.00 0.00 H new ATOM 0 HB3 GLU A 63 5.989 15.663 -16.380 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.021 17.075 -16.352 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.564 16.371 -17.863 1.00 0.00 H new ATOM 999 N MET A 64 7.290 14.587 -13.907 1.00 0.00 N ATOM 1000 CA MET A 64 7.634 14.838 -12.507 1.00 0.00 C ATOM 1001 C MET A 64 8.608 13.786 -11.958 1.00 0.00 C ATOM 1002 O MET A 64 9.215 14.012 -10.910 1.00 0.00 O ATOM 1003 CB MET A 64 6.359 14.886 -11.647 1.00 0.00 C ATOM 1004 CG MET A 64 5.528 16.150 -11.910 1.00 0.00 C ATOM 1005 SD MET A 64 3.918 16.190 -11.071 1.00 0.00 S ATOM 1006 CE MET A 64 4.451 16.542 -9.373 1.00 0.00 C ATOM 0 H MET A 64 6.317 14.308 -14.034 1.00 0.00 H new ATOM 0 HA MET A 64 8.136 15.804 -12.460 1.00 0.00 H new ATOM 0 HB2 MET A 64 5.751 14.005 -11.852 1.00 0.00 H new ATOM 0 HB3 MET A 64 6.632 14.846 -10.593 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.106 17.020 -11.598 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.365 16.244 -12.984 1.00 0.00 H new ATOM 0 HE1 MET A 64 3.578 16.600 -8.722 1.00 0.00 H new ATOM 0 HE2 MET A 64 5.110 15.746 -9.026 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.985 17.492 -9.349 1.00 0.00 H new ATOM 1016 N GLY A 65 8.790 12.656 -12.646 1.00 0.00 N ATOM 1017 CA GLY A 65 9.805 11.668 -12.320 1.00 0.00 C ATOM 1018 C GLY A 65 9.277 10.525 -11.457 1.00 0.00 C ATOM 1019 O GLY A 65 10.081 9.860 -10.803 1.00 0.00 O ATOM 0 H GLY A 65 8.224 12.404 -13.456 1.00 0.00 H new ATOM 0 HA2 GLY A 65 10.214 11.258 -13.244 1.00 0.00 H new ATOM 0 HA3 GLY A 65 10.626 12.159 -11.798 1.00 0.00 H new ATOM 1023 N TYR A 66 7.958 10.291 -11.415 1.00 0.00 N ATOM 1024 CA TYR A 66 7.422 9.078 -10.803 1.00 0.00 C ATOM 1025 C TYR A 66 7.923 7.902 -11.640 1.00 0.00 C ATOM 1026 O TYR A 66 7.676 7.852 -12.848 1.00 0.00 O ATOM 1027 CB TYR A 66 5.892 9.121 -10.687 1.00 0.00 C ATOM 1028 CG TYR A 66 5.419 10.010 -9.549 1.00 0.00 C ATOM 1029 CD1 TYR A 66 5.408 11.411 -9.696 1.00 0.00 C ATOM 1030 CD2 TYR A 66 5.066 9.437 -8.310 1.00 0.00 C ATOM 1031 CE1 TYR A 66 5.088 12.237 -8.605 1.00 0.00 C ATOM 1032 CE2 TYR A 66 4.742 10.257 -7.215 1.00 0.00 C ATOM 1033 CZ TYR A 66 4.773 11.664 -7.352 1.00 0.00 C ATOM 1034 OH TYR A 66 4.544 12.473 -6.281 1.00 0.00 O ATOM 0 H TYR A 66 7.252 10.922 -11.795 1.00 0.00 H new ATOM 0 HA TYR A 66 7.770 8.976 -9.775 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.470 9.482 -11.625 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.514 8.110 -10.535 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.647 11.853 -10.652 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.044 8.363 -8.202 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.083 13.310 -8.724 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.469 9.812 -6.269 1.00 0.00 H new ATOM 0 HH TYR A 66 4.314 11.926 -5.501 1.00 0.00 H new ATOM 1044 N THR A 67 8.670 6.987 -11.022 1.00 0.00 N ATOM 1045 CA THR A 67 9.423 5.961 -11.740 1.00 0.00 C ATOM 1046 C THR A 67 8.514 4.926 -12.416 1.00 0.00 C ATOM 1047 O THR A 67 8.896 4.356 -13.441 1.00 0.00 O ATOM 1048 CB THR A 67 10.416 5.291 -10.774 1.00 0.00 C ATOM 1049 OG1 THR A 67 9.719 4.785 -9.660 1.00 0.00 O ATOM 1050 CG2 THR A 67 11.476 6.278 -10.268 1.00 0.00 C ATOM 0 H THR A 67 8.770 6.937 -10.008 1.00 0.00 H new ATOM 0 HA THR A 67 9.973 6.446 -12.547 1.00 0.00 H new ATOM 0 HB THR A 67 10.915 4.492 -11.322 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.977 3.852 -9.509 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.157 5.764 -9.589 1.00 0.00 H new ATOM 0 HG22 THR A 67 12.038 6.674 -11.114 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.988 7.098 -9.741 1.00 0.00 H new ATOM 1058 N HIS A 68 7.316 4.691 -11.870 1.00 0.00 N ATOM 1059 CA HIS A 68 6.363 3.712 -12.368 1.00 0.00 C ATOM 1060 C HIS A 68 4.945 4.137 -11.991 1.00 0.00 C ATOM 1061 O HIS A 68 4.642 4.393 -10.824 1.00 0.00 O ATOM 1062 CB HIS A 68 6.705 2.291 -11.874 1.00 0.00 C ATOM 1063 CG HIS A 68 6.803 2.019 -10.383 1.00 0.00 C ATOM 1064 ND1 HIS A 68 6.696 0.769 -9.812 1.00 0.00 N ATOM 1065 CD2 HIS A 68 7.114 2.886 -9.363 1.00 0.00 C ATOM 1066 CE1 HIS A 68 6.937 0.881 -8.496 1.00 0.00 C ATOM 1067 NE2 HIS A 68 7.207 2.157 -8.172 1.00 0.00 N ATOM 0 H HIS A 68 6.980 5.193 -11.048 1.00 0.00 H new ATOM 0 HA HIS A 68 6.424 3.676 -13.456 1.00 0.00 H new ATOM 0 HB2 HIS A 68 5.953 1.615 -12.280 1.00 0.00 H new ATOM 0 HB3 HIS A 68 7.659 2.011 -12.320 1.00 0.00 H new ATOM 0 HD1 HIS A 68 6.472 -0.095 -10.306 1.00 0.00 H new ATOM 0 HD2 HIS A 68 7.262 3.951 -9.464 1.00 0.00 H new ATOM 0 HE1 HIS A 68 6.917 0.060 -7.795 1.00 0.00 H new ATOM 1075 N VAL A 69 4.084 4.215 -13.004 1.00 0.00 N ATOM 1076 CA VAL A 69 2.672 4.564 -12.929 1.00 0.00 C ATOM 1077 C VAL A 69 1.997 3.700 -13.999 1.00 0.00 C ATOM 1078 O VAL A 69 2.621 3.395 -15.021 1.00 0.00 O ATOM 1079 CB VAL A 69 2.481 6.079 -13.201 1.00 0.00 C ATOM 1080 CG1 VAL A 69 1.002 6.501 -13.187 1.00 0.00 C ATOM 1081 CG2 VAL A 69 3.239 6.952 -12.188 1.00 0.00 C ATOM 0 H VAL A 69 4.377 4.023 -13.962 1.00 0.00 H new ATOM 0 HA VAL A 69 2.241 4.380 -11.945 1.00 0.00 H new ATOM 0 HB VAL A 69 2.890 6.238 -14.199 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.927 7.571 -13.383 1.00 0.00 H new ATOM 0 HG12 VAL A 69 0.460 5.952 -13.957 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.570 6.280 -12.211 1.00 0.00 H new ATOM 0 HG21 VAL A 69 3.075 8.004 -12.420 1.00 0.00 H new ATOM 0 HG22 VAL A 69 2.876 6.741 -11.182 1.00 0.00 H new ATOM 0 HG23 VAL A 69 4.305 6.731 -12.243 1.00 0.00 H new ATOM 1091 N GLU A 70 0.736 3.319 -13.802 1.00 0.00 N ATOM 1092 CA GLU A 70 -0.013 2.520 -14.763 1.00 0.00 C ATOM 1093 C GLU A 70 -1.441 3.051 -14.834 1.00 0.00 C ATOM 1094 O GLU A 70 -2.062 3.320 -13.803 1.00 0.00 O ATOM 1095 CB GLU A 70 0.035 1.046 -14.327 1.00 0.00 C ATOM 1096 CG GLU A 70 -0.767 0.118 -15.251 1.00 0.00 C ATOM 1097 CD GLU A 70 -0.568 -1.362 -14.887 1.00 0.00 C ATOM 1098 OE1 GLU A 70 -0.894 -1.756 -13.744 1.00 0.00 O ATOM 1099 OE2 GLU A 70 -0.090 -2.145 -15.740 1.00 0.00 O ATOM 0 H GLU A 70 0.204 3.559 -12.965 1.00 0.00 H new ATOM 0 HA GLU A 70 0.422 2.589 -15.760 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.073 0.715 -14.301 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.352 0.961 -13.312 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -1.826 0.369 -15.187 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.462 0.282 -16.285 1.00 0.00 H new ATOM 1106 N ASN A 71 -1.971 3.201 -16.051 1.00 0.00 N ATOM 1107 CA ASN A 71 -3.391 3.461 -16.230 1.00 0.00 C ATOM 1108 C ASN A 71 -4.121 2.128 -16.085 1.00 0.00 C ATOM 1109 O ASN A 71 -3.978 1.254 -16.942 1.00 0.00 O ATOM 1110 CB ASN A 71 -3.700 4.116 -17.585 1.00 0.00 C ATOM 1111 CG ASN A 71 -5.203 4.127 -17.875 1.00 0.00 C ATOM 1112 OD1 ASN A 71 -5.631 3.791 -18.974 1.00 0.00 O ATOM 1113 ND2 ASN A 71 -6.038 4.487 -16.911 1.00 0.00 N ATOM 0 H ASN A 71 -1.437 3.146 -16.918 1.00 0.00 H new ATOM 0 HA ASN A 71 -3.728 4.172 -15.476 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -3.320 5.138 -17.591 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -3.180 3.578 -18.377 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -7.044 4.486 -17.081 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -5.675 4.765 -15.999 1.00 0.00 H new ATOM 1120 N ALA A 72 -4.884 1.965 -15.002 1.00 0.00 N ATOM 1121 CA ALA A 72 -5.624 0.737 -14.734 1.00 0.00 C ATOM 1122 C ALA A 72 -6.727 0.493 -15.775 1.00 0.00 C ATOM 1123 O ALA A 72 -7.071 -0.659 -16.040 1.00 0.00 O ATOM 1124 CB ALA A 72 -6.225 0.801 -13.327 1.00 0.00 C ATOM 0 H ALA A 72 -5.004 2.683 -14.288 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.928 -0.099 -14.800 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.778 -0.116 -13.126 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.425 0.911 -12.594 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.900 1.654 -13.258 1.00 0.00 H new ATOM 1130 N GLY A 73 -7.285 1.561 -16.354 1.00 0.00 N ATOM 1131 CA GLY A 73 -8.380 1.512 -17.310 1.00 0.00 C ATOM 1132 C GLY A 73 -9.264 2.735 -17.105 1.00 0.00 C ATOM 1133 O GLY A 73 -8.763 3.820 -16.795 1.00 0.00 O ATOM 0 H GLY A 73 -6.972 2.512 -16.159 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.992 1.493 -18.328 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.960 0.599 -17.173 1.00 0.00 H new ATOM 1137 N GLY A 74 -10.575 2.549 -17.224 1.00 0.00 N ATOM 1138 CA GLY A 74 -11.570 3.541 -16.857 1.00 0.00 C ATOM 1139 C GLY A 74 -12.722 2.852 -16.141 1.00 0.00 C ATOM 1140 O GLY A 74 -12.817 1.621 -16.139 1.00 0.00 O ATOM 0 H GLY A 74 -10.980 1.686 -17.586 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -11.125 4.298 -16.211 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.934 4.055 -17.747 1.00 0.00 H new ATOM 1144 N LEU A 75 -13.603 3.643 -15.529 1.00 0.00 N ATOM 1145 CA LEU A 75 -14.691 3.176 -14.672 1.00 0.00 C ATOM 1146 C LEU A 75 -15.580 2.144 -15.373 1.00 0.00 C ATOM 1147 O LEU A 75 -16.049 1.198 -14.741 1.00 0.00 O ATOM 1148 CB LEU A 75 -15.528 4.397 -14.246 1.00 0.00 C ATOM 1149 CG LEU A 75 -16.523 4.115 -13.100 1.00 0.00 C ATOM 1150 CD1 LEU A 75 -15.781 3.827 -11.788 1.00 0.00 C ATOM 1151 CD2 LEU A 75 -17.430 5.335 -12.926 1.00 0.00 C ATOM 0 H LEU A 75 -13.578 4.659 -15.619 1.00 0.00 H new ATOM 0 HA LEU A 75 -14.261 2.679 -13.802 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -14.853 5.196 -13.938 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -16.082 4.763 -15.111 1.00 0.00 H new ATOM 0 HG LEU A 75 -17.117 3.236 -13.351 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -16.504 3.632 -10.996 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -15.139 2.955 -11.917 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -15.172 4.689 -11.518 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -18.139 5.149 -12.119 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -16.824 6.208 -12.683 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -17.975 5.518 -13.852 1.00 0.00 H new ATOM 1163 N LYS A 76 -15.794 2.322 -16.681 1.00 0.00 N ATOM 1164 CA LYS A 76 -16.642 1.455 -17.497 1.00 0.00 C ATOM 1165 C LYS A 76 -15.993 0.099 -17.809 1.00 0.00 C ATOM 1166 O LYS A 76 -16.674 -0.767 -18.361 1.00 0.00 O ATOM 1167 CB LYS A 76 -17.001 2.171 -18.813 1.00 0.00 C ATOM 1168 CG LYS A 76 -17.754 3.497 -18.594 1.00 0.00 C ATOM 1169 CD LYS A 76 -18.296 4.098 -19.901 1.00 0.00 C ATOM 1170 CE LYS A 76 -17.180 4.452 -20.898 1.00 0.00 C ATOM 1171 NZ LYS A 76 -17.715 5.056 -22.145 1.00 0.00 N ATOM 0 H LYS A 76 -15.374 3.087 -17.209 1.00 0.00 H new ATOM 0 HA LYS A 76 -17.540 1.251 -16.914 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -16.087 2.367 -19.374 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.614 1.509 -19.424 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.582 3.330 -17.906 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.085 4.215 -18.119 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -18.981 3.389 -20.366 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.872 4.995 -19.673 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -16.483 5.147 -20.429 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.616 3.552 -21.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.929 5.279 -22.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -18.360 4.384 -22.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -18.231 5.929 -21.914 1.00 0.00 H new ATOM 1185 N ASP A 77 -14.708 -0.103 -17.496 1.00 0.00 N ATOM 1186 CA ASP A 77 -13.932 -1.258 -17.962 1.00 0.00 C ATOM 1187 C ASP A 77 -13.200 -1.989 -16.834 1.00 0.00 C ATOM 1188 O ASP A 77 -13.041 -3.208 -16.912 1.00 0.00 O ATOM 1189 CB ASP A 77 -12.925 -0.789 -19.018 1.00 0.00 C ATOM 1190 CG ASP A 77 -12.061 -1.954 -19.530 1.00 0.00 C ATOM 1191 OD1 ASP A 77 -12.569 -2.793 -20.308 1.00 0.00 O ATOM 1192 OD2 ASP A 77 -10.858 -2.013 -19.191 1.00 0.00 O ATOM 0 H ASP A 77 -14.173 0.536 -16.907 1.00 0.00 H new ATOM 0 HA ASP A 77 -14.637 -1.973 -18.387 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -13.458 -0.335 -19.854 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -12.283 -0.018 -18.593 1.00 0.00 H new ATOM 1197 N ILE A 78 -12.782 -1.283 -15.777 1.00 0.00 N ATOM 1198 CA ILE A 78 -12.144 -1.890 -14.607 1.00 0.00 C ATOM 1199 C ILE A 78 -13.147 -2.864 -13.968 1.00 0.00 C ATOM 1200 O ILE A 78 -14.299 -2.499 -13.724 1.00 0.00 O ATOM 1201 CB ILE A 78 -11.646 -0.776 -13.653 1.00 0.00 C ATOM 1202 CG1 ILE A 78 -10.461 -0.026 -14.308 1.00 0.00 C ATOM 1203 CG2 ILE A 78 -11.214 -1.345 -12.288 1.00 0.00 C ATOM 1204 CD1 ILE A 78 -10.139 1.318 -13.648 1.00 0.00 C ATOM 0 H ILE A 78 -12.878 -0.270 -15.711 1.00 0.00 H new ATOM 0 HA ILE A 78 -11.259 -2.467 -14.875 1.00 0.00 H new ATOM 0 HB ILE A 78 -12.472 -0.087 -13.478 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -9.576 -0.661 -14.269 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -10.687 0.142 -15.361 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -10.871 -0.533 -11.647 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -12.061 -1.845 -11.818 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -10.404 -2.060 -12.432 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -9.298 1.783 -14.162 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -11.009 1.972 -13.710 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -9.880 1.157 -12.601 1.00 0.00 H new ATOM 1216 N ALA A 79 -12.715 -4.101 -13.699 1.00 0.00 N ATOM 1217 CA ALA A 79 -13.587 -5.181 -13.235 1.00 0.00 C ATOM 1218 C ALA A 79 -13.845 -5.152 -11.718 1.00 0.00 C ATOM 1219 O ALA A 79 -14.731 -5.861 -11.239 1.00 0.00 O ATOM 1220 CB ALA A 79 -12.967 -6.526 -13.634 1.00 0.00 C ATOM 0 H ALA A 79 -11.739 -4.381 -13.799 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.557 -5.041 -13.711 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.609 -7.338 -13.293 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.867 -6.573 -14.718 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -11.983 -6.624 -13.175 1.00 0.00 H new ATOM 1226 N MET A 80 -13.070 -4.370 -10.958 1.00 0.00 N ATOM 1227 CA MET A 80 -13.212 -4.236 -9.505 1.00 0.00 C ATOM 1228 C MET A 80 -14.588 -3.650 -9.133 1.00 0.00 C ATOM 1229 O MET A 80 -15.208 -2.986 -9.971 1.00 0.00 O ATOM 1230 CB MET A 80 -12.084 -3.341 -8.964 1.00 0.00 C ATOM 1231 CG MET A 80 -10.720 -4.041 -8.992 1.00 0.00 C ATOM 1232 SD MET A 80 -9.318 -3.006 -8.480 1.00 0.00 S ATOM 1233 CE MET A 80 -9.698 -2.728 -6.726 1.00 0.00 C ATOM 0 H MET A 80 -12.314 -3.803 -11.342 1.00 0.00 H new ATOM 0 HA MET A 80 -13.141 -5.225 -9.053 1.00 0.00 H new ATOM 0 HB2 MET A 80 -12.033 -2.427 -9.556 1.00 0.00 H new ATOM 0 HB3 MET A 80 -12.317 -3.045 -7.941 1.00 0.00 H new ATOM 0 HG2 MET A 80 -10.763 -4.915 -8.343 1.00 0.00 H new ATOM 0 HG3 MET A 80 -10.535 -4.404 -10.003 1.00 0.00 H new ATOM 0 HE1 MET A 80 -8.871 -2.198 -6.254 1.00 0.00 H new ATOM 0 HE2 MET A 80 -10.607 -2.132 -6.641 1.00 0.00 H new ATOM 0 HE3 MET A 80 -9.845 -3.687 -6.229 1.00 0.00 H new ATOM 1243 N PRO A 81 -15.071 -3.852 -7.891 1.00 0.00 N ATOM 1244 CA PRO A 81 -16.300 -3.230 -7.405 1.00 0.00 C ATOM 1245 C PRO A 81 -16.144 -1.710 -7.265 1.00 0.00 C ATOM 1246 O PRO A 81 -15.029 -1.178 -7.244 1.00 0.00 O ATOM 1247 CB PRO A 81 -16.601 -3.907 -6.061 1.00 0.00 C ATOM 1248 CG PRO A 81 -15.226 -4.343 -5.563 1.00 0.00 C ATOM 1249 CD PRO A 81 -14.489 -4.697 -6.853 1.00 0.00 C ATOM 0 HA PRO A 81 -17.124 -3.366 -8.105 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -17.080 -3.219 -5.364 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -17.272 -4.758 -6.182 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.723 -3.545 -5.017 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.293 -5.197 -4.889 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.419 -4.514 -6.754 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.611 -5.753 -7.095 1.00 0.00 H new ATOM 1257 N LYS A 82 -17.272 -1.003 -7.134 1.00 0.00 N ATOM 1258 CA LYS A 82 -17.320 0.456 -7.065 1.00 0.00 C ATOM 1259 C LYS A 82 -18.215 0.902 -5.910 1.00 0.00 C ATOM 1260 O LYS A 82 -19.098 0.153 -5.486 1.00 0.00 O ATOM 1261 CB LYS A 82 -17.848 1.068 -8.378 1.00 0.00 C ATOM 1262 CG LYS A 82 -17.005 0.847 -9.644 1.00 0.00 C ATOM 1263 CD LYS A 82 -17.374 -0.425 -10.414 1.00 0.00 C ATOM 1264 CE LYS A 82 -16.472 -0.563 -11.647 1.00 0.00 C ATOM 1265 NZ LYS A 82 -16.550 -1.923 -12.222 1.00 0.00 N ATOM 0 H LYS A 82 -18.192 -1.440 -7.072 1.00 0.00 H new ATOM 0 HA LYS A 82 -16.301 0.808 -6.903 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -18.845 0.666 -8.561 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -17.959 2.142 -8.229 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -17.122 1.707 -10.303 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -15.952 0.800 -9.365 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -17.262 -1.297 -9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -18.420 -0.387 -10.719 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -16.766 0.169 -12.399 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -15.441 -0.341 -11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.855 -2.016 -12.990 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -16.344 -2.625 -11.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -17.506 -2.087 -12.598 1.00 0.00 H new ATOM 1279 N VAL A 83 -18.011 2.133 -5.443 1.00 0.00 N ATOM 1280 CA VAL A 83 -18.782 2.801 -4.399 1.00 0.00 C ATOM 1281 C VAL A 83 -18.891 4.291 -4.761 1.00 0.00 C ATOM 1282 O VAL A 83 -18.070 4.817 -5.522 1.00 0.00 O ATOM 1283 CB VAL A 83 -18.124 2.587 -3.012 1.00 0.00 C ATOM 1284 CG1 VAL A 83 -18.134 1.113 -2.577 1.00 0.00 C ATOM 1285 CG2 VAL A 83 -16.675 3.096 -2.944 1.00 0.00 C ATOM 0 H VAL A 83 -17.261 2.723 -5.804 1.00 0.00 H new ATOM 0 HA VAL A 83 -19.784 2.377 -4.335 1.00 0.00 H new ATOM 0 HB VAL A 83 -18.738 3.175 -2.330 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -17.661 1.019 -1.599 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -19.163 0.758 -2.518 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -17.585 0.515 -3.304 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -16.273 2.916 -1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -16.069 2.568 -3.680 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -16.655 4.165 -3.156 1.00 0.00 H new ATOM 1295 N LYS A 84 -19.893 4.993 -4.227 1.00 0.00 N ATOM 1296 CA LYS A 84 -20.025 6.443 -4.403 1.00 0.00 C ATOM 1297 C LYS A 84 -18.872 7.175 -3.705 1.00 0.00 C ATOM 1298 O LYS A 84 -18.206 6.606 -2.834 1.00 0.00 O ATOM 1299 CB LYS A 84 -21.385 6.920 -3.858 1.00 0.00 C ATOM 1300 CG LYS A 84 -22.608 6.327 -4.582 1.00 0.00 C ATOM 1301 CD LYS A 84 -22.686 6.742 -6.058 1.00 0.00 C ATOM 1302 CE LYS A 84 -23.951 6.228 -6.762 1.00 0.00 C ATOM 1303 NZ LYS A 84 -25.195 6.882 -6.281 1.00 0.00 N ATOM 0 H LYS A 84 -20.633 4.576 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 84 -19.978 6.674 -5.467 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -21.447 6.666 -2.800 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -21.429 8.007 -3.928 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -22.571 5.240 -4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -23.517 6.646 -4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -22.656 7.829 -6.126 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -21.807 6.366 -6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -23.854 6.392 -7.835 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -24.032 5.152 -6.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -26.008 6.518 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -25.327 6.677 -5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -25.122 7.910 -6.419 1.00 0.00 H new ATOM 1317 N GLY A 85 -18.646 8.436 -4.087 1.00 0.00 N ATOM 1318 CA GLY A 85 -17.721 9.322 -3.389 1.00 0.00 C ATOM 1319 C GLY A 85 -18.102 9.416 -1.915 1.00 0.00 C ATOM 1320 O GLY A 85 -17.204 9.313 -1.056 1.00 0.00 O ATOM 1321 OXT GLY A 85 -19.300 9.610 -1.619 1.00 0.00 O ATOM 0 H GLY A 85 -19.102 8.868 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.702 8.948 -3.487 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.741 10.313 -3.842 1.00 0.00 H new TER 1325 GLY A 85