USER MOD reduce.3.24.130724 H: found=0, std=0, add=812, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 809 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 82 SER OG : rot 162:sc= -1.64! USER MOD Set 1.2: A 84 ASN :FLIP amide:sc= -4.49! C(o=-15!,f=-6.1!) USER MOD Set 2.1: A 73 LYS NZ :NH3+ -118:sc= -1.62! (180deg=-3.75!) USER MOD Set 2.2: A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 30:sc= 0.175 USER MOD Single : A 9 CYS SG : rot 40:sc= -4.31! USER MOD Single : A 12 ASN : amide:sc= 0.38 X(o=0.38,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -172:sc= -4.06! (180deg=-4.15!) USER MOD Single : A 19 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0116) USER MOD Single : A 20 ASN :FLIP amide:sc= -3.66 F(o=-7.7!,f=-3.7) USER MOD Single : A 23 GLN : amide:sc= 0.872 K(o=0.87,f=-0.88) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 SER OG : rot -140:sc= -0.0178 USER MOD Single : A 27 ASN : amide:sc= -0.87 K(o=-0.87,f=-2.6!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 132:sc= -7.5! USER MOD Single : A 37 SER OG : rot -0:sc= 0.611 USER MOD Single : A 39 THR OG1 : rot 99:sc= 0.611 USER MOD Single : A 41 GLN : amide:sc= 0.0525 K(o=0.052,f=-0.63) USER MOD Single : A 45 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.215) USER MOD Single : A 57 THR OG1 : rot -161:sc= -1.01 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.0306 USER MOD Single : A 64 GLN :FLIP amide:sc=-0.00517 F(o=-1.4!,f=-0.0052) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 79 HIS : no HE2:sc= -8.15! C(o=-8.1!,f=-9.7!) USER MOD Single : A 83 SER OG : rot 170:sc= -0.031 USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 101 GLN : amide:sc= -0.196 K(o=-0.2,f=-0.76) USER MOD Single : A 102 ASN : amide:sc= -0.106 X(o=-0.11,f=0.17) USER MOD Single : A 104 ASN : amide:sc= -0.249 X(o=-0.25,f=-0.092) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.657 -13.843 -4.353 1.00 0.00 N ATOM 2 CA ASP A 1 9.360 -14.279 -4.914 1.00 0.00 C ATOM 3 C ASP A 1 8.442 -13.087 -5.140 1.00 0.00 C ATOM 4 O ASP A 1 8.231 -12.284 -4.254 1.00 0.00 O ATOM 5 CB ASP A 1 8.694 -15.233 -3.911 1.00 0.00 C ATOM 6 CG ASP A 1 7.200 -15.331 -4.220 1.00 0.00 C ATOM 7 OD1 ASP A 1 6.905 -15.623 -5.367 1.00 0.00 O ATOM 8 OD2 ASP A 1 6.439 -15.109 -3.292 1.00 0.00 O ATOM 0 H1 ASP A 1 11.268 -14.672 -4.207 1.00 0.00 H new ATOM 0 H2 ASP A 1 11.118 -13.186 -5.014 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.499 -13.365 -3.443 1.00 0.00 H new ATOM 0 HA ASP A 1 9.533 -14.774 -5.870 1.00 0.00 H new ATOM 0 HB2 ASP A 1 9.154 -16.219 -3.969 1.00 0.00 H new ATOM 0 HB3 ASP A 1 8.843 -14.871 -2.894 1.00 0.00 H new ATOM 13 N TRP A 2 7.914 -12.992 -6.326 1.00 0.00 N ATOM 14 CA TRP A 2 7.011 -11.865 -6.629 1.00 0.00 C ATOM 15 C TRP A 2 5.618 -12.113 -6.057 1.00 0.00 C ATOM 16 O TRP A 2 4.758 -12.646 -6.718 1.00 0.00 O ATOM 17 CB TRP A 2 6.918 -11.738 -8.172 1.00 0.00 C ATOM 18 CG TRP A 2 7.750 -10.543 -8.645 1.00 0.00 C ATOM 19 CD1 TRP A 2 8.751 -10.011 -7.961 1.00 0.00 C ATOM 20 CD2 TRP A 2 7.513 -9.865 -9.741 1.00 0.00 C ATOM 21 NE1 TRP A 2 9.107 -8.944 -8.702 1.00 0.00 N ATOM 22 CE2 TRP A 2 8.361 -8.783 -9.856 1.00 0.00 C ATOM 23 CE3 TRP A 2 6.587 -10.120 -10.733 1.00 0.00 C ATOM 24 CZ2 TRP A 2 8.273 -7.954 -10.956 1.00 0.00 C ATOM 25 CZ3 TRP A 2 6.508 -9.294 -11.834 1.00 0.00 C ATOM 26 CH2 TRP A 2 7.350 -8.212 -11.945 1.00 0.00 C ATOM 0 H TRP A 2 8.071 -13.646 -7.092 1.00 0.00 H new ATOM 0 HA TRP A 2 7.401 -10.951 -6.180 1.00 0.00 H new ATOM 0 HB2 TRP A 2 7.277 -12.653 -8.644 1.00 0.00 H new ATOM 0 HB3 TRP A 2 5.878 -11.611 -8.474 1.00 0.00 H new ATOM 0 HD1 TRP A 2 9.180 -10.352 -7.030 1.00 0.00 H new ATOM 0 HE1 TRP A 2 9.861 -8.310 -8.436 1.00 0.00 H new ATOM 0 HE3 TRP A 2 5.924 -10.968 -10.646 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 8.930 -7.101 -11.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 5.785 -9.497 -12.610 1.00 0.00 H new ATOM 0 HH2 TRP A 2 7.287 -7.565 -12.807 1.00 0.00 H new ATOM 37 N VAL A 3 5.429 -11.696 -4.827 1.00 0.00 N ATOM 38 CA VAL A 3 4.106 -11.885 -4.167 1.00 0.00 C ATOM 39 C VAL A 3 3.952 -10.916 -2.993 1.00 0.00 C ATOM 40 O VAL A 3 4.315 -11.236 -1.877 1.00 0.00 O ATOM 41 CB VAL A 3 4.023 -13.328 -3.610 1.00 0.00 C ATOM 42 CG1 VAL A 3 2.707 -13.500 -2.845 1.00 0.00 C ATOM 43 CG2 VAL A 3 4.053 -14.334 -4.758 1.00 0.00 C ATOM 0 H VAL A 3 6.136 -11.234 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 3 3.320 -11.701 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 3 4.872 -13.501 -2.949 1.00 0.00 H new ATOM 0 HG11 VAL A 3 2.645 -14.515 -2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 3 2.670 -12.788 -2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 3 1.869 -13.320 -3.518 1.00 0.00 H new ATOM 0 HG21 VAL A 3 3.994 -15.346 -4.357 1.00 0.00 H new ATOM 0 HG22 VAL A 3 3.205 -14.156 -5.420 1.00 0.00 H new ATOM 0 HG23 VAL A 3 4.981 -14.219 -5.318 1.00 0.00 H new ATOM 53 N ILE A 4 3.429 -9.744 -3.261 1.00 0.00 N ATOM 54 CA ILE A 4 3.252 -8.757 -2.159 1.00 0.00 C ATOM 55 C ILE A 4 1.968 -7.936 -2.360 1.00 0.00 C ATOM 56 O ILE A 4 1.985 -6.873 -2.947 1.00 0.00 O ATOM 57 CB ILE A 4 4.459 -7.800 -2.168 1.00 0.00 C ATOM 58 CG1 ILE A 4 4.312 -6.768 -1.055 1.00 0.00 C ATOM 59 CG2 ILE A 4 4.506 -7.064 -3.520 1.00 0.00 C ATOM 60 CD1 ILE A 4 5.411 -5.708 -1.198 1.00 0.00 C ATOM 0 H ILE A 4 3.122 -9.434 -4.183 1.00 0.00 H new ATOM 0 HA ILE A 4 3.179 -9.290 -1.211 1.00 0.00 H new ATOM 0 HB ILE A 4 5.373 -8.374 -2.015 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.329 -6.299 -1.106 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.383 -7.253 -0.082 1.00 0.00 H new ATOM 0 HG21 ILE A 4 5.358 -6.384 -3.535 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.607 -7.790 -4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.586 -6.496 -3.657 1.00 0.00 H new ATOM 0 HD11 ILE A 4 5.309 -4.969 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 4 6.388 -6.185 -1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 4 5.318 -5.216 -2.166 1.00 0.00 H new ATOM 72 N PRO A 5 0.865 -8.471 -1.871 1.00 0.00 N ATOM 73 CA PRO A 5 -0.433 -7.797 -1.989 1.00 0.00 C ATOM 74 C PRO A 5 -0.511 -6.454 -1.220 1.00 0.00 C ATOM 75 O PRO A 5 -1.042 -5.485 -1.726 1.00 0.00 O ATOM 76 CB PRO A 5 -1.452 -8.799 -1.400 1.00 0.00 C ATOM 77 CG PRO A 5 -0.675 -10.107 -1.050 1.00 0.00 C ATOM 78 CD PRO A 5 0.820 -9.826 -1.279 1.00 0.00 C ATOM 0 HA PRO A 5 -0.623 -7.535 -3.030 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.926 -8.385 -0.510 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -2.246 -9.005 -2.118 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.857 -10.397 -0.015 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.011 -10.933 -1.677 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.378 -9.867 -0.343 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.263 -10.564 -1.947 1.00 0.00 H new ATOM 86 N PRO A 6 0.019 -6.427 -0.010 1.00 0.00 N ATOM 87 CA PRO A 6 0.000 -5.216 0.806 1.00 0.00 C ATOM 88 C PRO A 6 0.941 -4.145 0.268 1.00 0.00 C ATOM 89 O PRO A 6 2.073 -4.422 -0.079 1.00 0.00 O ATOM 90 CB PRO A 6 0.489 -5.669 2.196 1.00 0.00 C ATOM 91 CG PRO A 6 0.901 -7.165 2.071 1.00 0.00 C ATOM 92 CD PRO A 6 0.652 -7.583 0.613 1.00 0.00 C ATOM 0 HA PRO A 6 -0.996 -4.774 0.817 1.00 0.00 H new ATOM 0 HB2 PRO A 6 1.334 -5.063 2.524 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -0.298 -5.547 2.940 1.00 0.00 H new ATOM 0 HG2 PRO A 6 1.950 -7.299 2.336 1.00 0.00 H new ATOM 0 HG3 PRO A 6 0.318 -7.783 2.754 1.00 0.00 H new ATOM 0 HD2 PRO A 6 1.585 -7.840 0.111 1.00 0.00 H new ATOM 0 HD3 PRO A 6 0.009 -8.462 0.559 1.00 0.00 H new ATOM 100 N ILE A 7 0.445 -2.940 0.211 1.00 0.00 N ATOM 101 CA ILE A 7 1.273 -1.817 -0.296 1.00 0.00 C ATOM 102 C ILE A 7 1.037 -0.578 0.559 1.00 0.00 C ATOM 103 O ILE A 7 0.098 -0.535 1.329 1.00 0.00 O ATOM 104 CB ILE A 7 0.857 -1.511 -1.739 1.00 0.00 C ATOM 105 CG1 ILE A 7 0.904 -2.784 -2.586 1.00 0.00 C ATOM 106 CG2 ILE A 7 1.845 -0.486 -2.324 1.00 0.00 C ATOM 107 CD1 ILE A 7 2.362 -3.158 -2.893 1.00 0.00 C ATOM 0 H ILE A 7 -0.501 -2.687 0.495 1.00 0.00 H new ATOM 0 HA ILE A 7 2.327 -2.092 -0.254 1.00 0.00 H new ATOM 0 HB ILE A 7 -0.159 -1.117 -1.747 1.00 0.00 H new ATOM 0 HG12 ILE A 7 0.414 -3.601 -2.056 1.00 0.00 H new ATOM 0 HG13 ILE A 7 0.355 -2.632 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 7 1.564 -0.256 -3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 7 1.819 0.426 -1.728 1.00 0.00 H new ATOM 0 HG23 ILE A 7 2.853 -0.901 -2.307 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.386 -4.065 -3.496 1.00 0.00 H new ATOM 0 HD12 ILE A 7 2.838 -2.345 -3.441 1.00 0.00 H new ATOM 0 HD13 ILE A 7 2.898 -3.329 -1.959 1.00 0.00 H new ATOM 119 N SER A 8 1.893 0.405 0.413 1.00 0.00 N ATOM 120 CA SER A 8 1.731 1.654 1.215 1.00 0.00 C ATOM 121 C SER A 8 1.814 2.889 0.331 1.00 0.00 C ATOM 122 O SER A 8 2.680 2.993 -0.517 1.00 0.00 O ATOM 123 CB SER A 8 2.865 1.715 2.249 1.00 0.00 C ATOM 124 OG SER A 8 4.030 1.396 1.505 1.00 0.00 O ATOM 0 H SER A 8 2.691 0.395 -0.223 1.00 0.00 H new ATOM 0 HA SER A 8 0.754 1.638 1.698 1.00 0.00 H new ATOM 0 HB2 SER A 8 2.939 2.704 2.701 1.00 0.00 H new ATOM 0 HB3 SER A 8 2.703 1.005 3.060 1.00 0.00 H new ATOM 0 HG SER A 8 3.918 1.693 0.578 1.00 0.00 H new ATOM 130 N CYS A 9 0.901 3.806 0.544 1.00 0.00 N ATOM 131 CA CYS A 9 0.900 5.052 -0.269 1.00 0.00 C ATOM 132 C CYS A 9 0.558 6.277 0.614 1.00 0.00 C ATOM 133 O CYS A 9 -0.535 6.371 1.134 1.00 0.00 O ATOM 134 CB CYS A 9 -0.178 4.909 -1.350 1.00 0.00 C ATOM 135 SG CYS A 9 0.205 3.845 -2.764 1.00 0.00 S ATOM 0 H CYS A 9 0.162 3.742 1.244 1.00 0.00 H new ATOM 0 HA CYS A 9 1.886 5.201 -0.709 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -1.083 4.529 -0.876 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.411 5.904 -1.729 1.00 0.00 H new ATOM 0 HG CYS A 9 0.840 2.788 -2.352 1.00 0.00 H new ATOM 141 N PRO A 10 1.508 7.199 0.772 1.00 0.00 N ATOM 142 CA PRO A 10 1.281 8.393 1.592 1.00 0.00 C ATOM 143 C PRO A 10 0.202 9.325 1.021 1.00 0.00 C ATOM 144 O PRO A 10 -0.267 9.158 -0.100 1.00 0.00 O ATOM 145 CB PRO A 10 2.635 9.136 1.592 1.00 0.00 C ATOM 146 CG PRO A 10 3.617 8.321 0.700 1.00 0.00 C ATOM 147 CD PRO A 10 2.852 7.096 0.180 1.00 0.00 C ATOM 0 HA PRO A 10 0.931 8.102 2.582 1.00 0.00 H new ATOM 0 HB2 PRO A 10 2.517 10.148 1.206 1.00 0.00 H new ATOM 0 HB3 PRO A 10 3.023 9.225 2.607 1.00 0.00 H new ATOM 0 HG2 PRO A 10 3.978 8.929 -0.129 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.491 8.013 1.273 1.00 0.00 H new ATOM 0 HD2 PRO A 10 2.803 7.095 -0.909 1.00 0.00 H new ATOM 0 HD3 PRO A 10 3.343 6.170 0.478 1.00 0.00 H new ATOM 155 N GLU A 11 -0.166 10.294 1.825 1.00 0.00 N ATOM 156 CA GLU A 11 -1.201 11.270 1.404 1.00 0.00 C ATOM 157 C GLU A 11 -0.586 12.655 1.249 1.00 0.00 C ATOM 158 O GLU A 11 0.432 12.953 1.842 1.00 0.00 O ATOM 159 CB GLU A 11 -2.270 11.335 2.500 1.00 0.00 C ATOM 160 CG GLU A 11 -1.585 11.533 3.853 1.00 0.00 C ATOM 161 CD GLU A 11 -2.602 12.071 4.860 1.00 0.00 C ATOM 162 OE1 GLU A 11 -3.042 13.189 4.644 1.00 0.00 O ATOM 163 OE2 GLU A 11 -2.883 11.334 5.790 1.00 0.00 O ATOM 0 H GLU A 11 0.213 10.445 2.760 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.630 10.958 0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.961 12.155 2.304 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -2.859 10.418 2.507 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.171 10.588 4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.752 12.228 3.753 1.00 0.00 H new ATOM 170 N ASN A 12 -1.213 13.479 0.460 1.00 0.00 N ATOM 171 CA ASN A 12 -0.672 14.849 0.260 1.00 0.00 C ATOM 172 C ASN A 12 0.846 14.824 0.074 1.00 0.00 C ATOM 173 O ASN A 12 1.585 15.252 0.937 1.00 0.00 O ATOM 174 CB ASN A 12 -0.998 15.678 1.512 1.00 0.00 C ATOM 175 CG ASN A 12 -2.517 15.800 1.657 1.00 0.00 C ATOM 176 OD1 ASN A 12 -3.181 16.416 0.846 1.00 0.00 O ATOM 177 ND2 ASN A 12 -3.105 15.231 2.674 1.00 0.00 N ATOM 0 H ASN A 12 -2.070 13.266 -0.051 1.00 0.00 H new ATOM 0 HA ASN A 12 -1.122 15.280 -0.635 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -0.574 15.204 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -0.548 16.668 1.434 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -4.116 15.305 2.785 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -2.553 14.713 3.358 1.00 0.00 H new ATOM 184 N GLU A 13 1.280 14.328 -1.052 1.00 0.00 N ATOM 185 CA GLU A 13 2.736 14.266 -1.313 1.00 0.00 C ATOM 186 C GLU A 13 3.230 15.575 -1.906 1.00 0.00 C ATOM 187 O GLU A 13 2.547 16.579 -1.854 1.00 0.00 O ATOM 188 CB GLU A 13 3.000 13.141 -2.326 1.00 0.00 C ATOM 189 CG GLU A 13 2.544 11.805 -1.731 1.00 0.00 C ATOM 190 CD GLU A 13 3.745 10.863 -1.617 1.00 0.00 C ATOM 191 OE1 GLU A 13 4.511 11.071 -0.691 1.00 0.00 O ATOM 192 OE2 GLU A 13 3.827 9.987 -2.463 1.00 0.00 O ATOM 0 H GLU A 13 0.687 13.965 -1.798 1.00 0.00 H new ATOM 0 HA GLU A 13 3.259 14.082 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 13 2.465 13.340 -3.255 1.00 0.00 H new ATOM 0 HB3 GLU A 13 4.061 13.099 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.099 11.965 -0.749 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.775 11.357 -2.361 1.00 0.00 H new ATOM 199 N LYS A 14 4.408 15.541 -2.456 1.00 0.00 N ATOM 200 CA LYS A 14 4.967 16.773 -3.060 1.00 0.00 C ATOM 201 C LYS A 14 5.810 16.443 -4.284 1.00 0.00 C ATOM 202 O LYS A 14 6.443 15.406 -4.343 1.00 0.00 O ATOM 203 CB LYS A 14 5.855 17.465 -2.015 1.00 0.00 C ATOM 204 CG LYS A 14 6.690 16.405 -1.287 1.00 0.00 C ATOM 205 CD LYS A 14 7.521 17.085 -0.192 1.00 0.00 C ATOM 206 CE LYS A 14 8.774 17.741 -0.804 1.00 0.00 C ATOM 207 NZ LYS A 14 8.846 17.511 -2.276 1.00 0.00 N ATOM 0 H LYS A 14 5.005 14.716 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 14 4.148 17.422 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 14 6.508 18.192 -2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 14 5.239 18.014 -1.302 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.038 15.649 -0.849 1.00 0.00 H new ATOM 0 HG3 LYS A 14 7.345 15.893 -1.992 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.919 17.838 0.316 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.816 16.352 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.761 18.812 -0.602 1.00 0.00 H new ATOM 0 HE3 LYS A 14 9.667 17.337 -0.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.763 17.845 -2.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.746 16.495 -2.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.079 18.032 -2.747 1.00 0.00 H new ATOM 221 N GLY A 15 5.799 17.339 -5.239 1.00 0.00 N ATOM 222 CA GLY A 15 6.594 17.116 -6.488 1.00 0.00 C ATOM 223 C GLY A 15 5.686 17.216 -7.717 1.00 0.00 C ATOM 224 O GLY A 15 4.520 17.542 -7.605 1.00 0.00 O ATOM 0 H GLY A 15 5.275 18.214 -5.209 1.00 0.00 H new ATOM 0 HA2 GLY A 15 7.393 17.854 -6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.068 16.135 -6.456 1.00 0.00 H new ATOM 228 N GLU A 16 6.238 16.935 -8.866 1.00 0.00 N ATOM 229 CA GLU A 16 5.423 17.011 -10.105 1.00 0.00 C ATOM 230 C GLU A 16 4.714 15.685 -10.371 1.00 0.00 C ATOM 231 O GLU A 16 5.348 14.670 -10.581 1.00 0.00 O ATOM 232 CB GLU A 16 6.358 17.317 -11.285 1.00 0.00 C ATOM 233 CG GLU A 16 7.163 18.583 -10.975 1.00 0.00 C ATOM 234 CD GLU A 16 8.288 18.733 -12.001 1.00 0.00 C ATOM 235 OE1 GLU A 16 8.270 17.956 -12.942 1.00 0.00 O ATOM 236 OE2 GLU A 16 9.102 19.617 -11.788 1.00 0.00 O ATOM 0 H GLU A 16 7.211 16.658 -8.997 1.00 0.00 H new ATOM 0 HA GLU A 16 4.672 17.792 -9.988 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.031 16.477 -11.459 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.778 17.455 -12.198 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.512 19.457 -11.002 1.00 0.00 H new ATOM 0 HG3 GLU A 16 7.578 18.526 -9.969 1.00 0.00 H new ATOM 243 N PHE A 17 3.408 15.720 -10.358 1.00 0.00 N ATOM 244 CA PHE A 17 2.639 14.474 -10.608 1.00 0.00 C ATOM 245 C PHE A 17 2.696 14.090 -12.091 1.00 0.00 C ATOM 246 O PHE A 17 2.880 14.935 -12.944 1.00 0.00 O ATOM 247 CB PHE A 17 1.177 14.734 -10.210 1.00 0.00 C ATOM 248 CG PHE A 17 1.082 14.765 -8.685 1.00 0.00 C ATOM 249 CD1 PHE A 17 1.361 13.630 -7.940 1.00 0.00 C ATOM 250 CD2 PHE A 17 0.745 15.934 -8.028 1.00 0.00 C ATOM 251 CE1 PHE A 17 1.307 13.670 -6.562 1.00 0.00 C ATOM 252 CE2 PHE A 17 0.694 15.970 -6.650 1.00 0.00 C ATOM 253 CZ PHE A 17 0.974 14.839 -5.919 1.00 0.00 C ATOM 0 H PHE A 17 2.846 16.554 -10.186 1.00 0.00 H new ATOM 0 HA PHE A 17 3.066 13.657 -10.026 1.00 0.00 H new ATOM 0 HB2 PHE A 17 0.834 15.680 -10.629 1.00 0.00 H new ATOM 0 HB3 PHE A 17 0.531 13.954 -10.613 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.622 12.709 -8.441 1.00 0.00 H new ATOM 0 HD2 PHE A 17 0.520 16.824 -8.597 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.527 12.782 -5.988 1.00 0.00 H new ATOM 0 HE2 PHE A 17 0.434 16.888 -6.144 1.00 0.00 H new ATOM 0 HZ PHE A 17 0.932 14.869 -4.840 1.00 0.00 H new ATOM 263 N PRO A 18 2.536 12.805 -12.373 1.00 0.00 N ATOM 264 CA PRO A 18 2.354 11.764 -11.349 1.00 0.00 C ATOM 265 C PRO A 18 3.650 11.479 -10.591 1.00 0.00 C ATOM 266 O PRO A 18 4.726 11.528 -11.154 1.00 0.00 O ATOM 267 CB PRO A 18 1.954 10.506 -12.142 1.00 0.00 C ATOM 268 CG PRO A 18 2.073 10.852 -13.660 1.00 0.00 C ATOM 269 CD PRO A 18 2.482 12.331 -13.757 1.00 0.00 C ATOM 0 HA PRO A 18 1.616 12.071 -10.608 1.00 0.00 H new ATOM 0 HB2 PRO A 18 2.604 9.669 -11.887 1.00 0.00 H new ATOM 0 HB3 PRO A 18 0.936 10.205 -11.896 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.814 10.215 -14.143 1.00 0.00 H new ATOM 0 HG3 PRO A 18 1.125 10.681 -14.169 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.448 12.441 -14.249 1.00 0.00 H new ATOM 0 HD3 PRO A 18 1.760 12.902 -14.341 1.00 0.00 H new ATOM 277 N LYS A 19 3.512 11.182 -9.325 1.00 0.00 N ATOM 278 CA LYS A 19 4.712 10.889 -8.499 1.00 0.00 C ATOM 279 C LYS A 19 4.877 9.389 -8.291 1.00 0.00 C ATOM 280 O LYS A 19 3.949 8.708 -7.899 1.00 0.00 O ATOM 281 CB LYS A 19 4.525 11.557 -7.130 1.00 0.00 C ATOM 282 CG LYS A 19 5.840 11.488 -6.354 1.00 0.00 C ATOM 283 CD LYS A 19 5.639 12.116 -4.976 1.00 0.00 C ATOM 284 CE LYS A 19 6.771 11.667 -4.053 1.00 0.00 C ATOM 285 NZ LYS A 19 8.068 12.254 -4.496 1.00 0.00 N ATOM 0 H LYS A 19 2.621 11.131 -8.832 1.00 0.00 H new ATOM 0 HA LYS A 19 5.597 11.269 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.218 12.595 -7.257 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.733 11.056 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.163 10.452 -6.252 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.625 12.014 -6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 19 5.628 13.203 -5.056 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.676 11.817 -4.563 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.557 11.973 -3.029 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.838 10.579 -4.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 8.808 12.023 -3.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.328 11.862 -5.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.974 13.287 -4.571 1.00 0.00 H new ATOM 299 N ASN A 20 6.059 8.899 -8.555 1.00 0.00 N ATOM 300 CA ASN A 20 6.301 7.447 -8.377 1.00 0.00 C ATOM 301 C ASN A 20 6.195 7.060 -6.908 1.00 0.00 C ATOM 302 O ASN A 20 6.346 7.895 -6.037 1.00 0.00 O ATOM 303 CB ASN A 20 7.715 7.126 -8.866 1.00 0.00 C ATOM 304 CG ASN A 20 7.831 7.476 -10.351 1.00 0.00 C ATOM 305 OD1 ASN A 20 7.410 8.639 -10.762 1.00 0.00 O flip ATOM 306 ND2 ASN A 20 8.307 6.692 -11.147 1.00 0.00 N flip ATOM 0 H ASN A 20 6.859 9.440 -8.883 1.00 0.00 H new ATOM 0 HA ASN A 20 5.555 6.891 -8.944 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.448 7.691 -8.290 1.00 0.00 H new ATOM 0 HB3 ASN A 20 7.934 6.069 -8.712 1.00 0.00 H new ATOM 0 HD21 ASN A 20 8.638 5.781 -10.830 1.00 0.00 H new ATOM 0 HD22 ASN A 20 8.376 6.945 -12.133 1.00 0.00 H new ATOM 313 N LEU A 21 5.939 5.792 -6.658 1.00 0.00 N ATOM 314 CA LEU A 21 5.819 5.325 -5.245 1.00 0.00 C ATOM 315 C LEU A 21 6.670 4.086 -5.000 1.00 0.00 C ATOM 316 O LEU A 21 7.640 4.134 -4.270 1.00 0.00 O ATOM 317 CB LEU A 21 4.352 4.968 -4.970 1.00 0.00 C ATOM 318 CG LEU A 21 3.511 6.242 -5.004 1.00 0.00 C ATOM 319 CD1 LEU A 21 2.054 5.887 -4.710 1.00 0.00 C ATOM 320 CD2 LEU A 21 4.015 7.209 -3.932 1.00 0.00 C ATOM 0 H LEU A 21 5.810 5.071 -7.368 1.00 0.00 H new ATOM 0 HA LEU A 21 6.163 6.122 -4.586 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.991 4.260 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.259 4.482 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 21 3.589 6.708 -5.986 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.447 6.792 -4.733 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.691 5.188 -5.463 1.00 0.00 H new ATOM 0 HD13 LEU A 21 1.983 5.427 -3.724 1.00 0.00 H new ATOM 0 HD21 LEU A 21 3.417 8.120 -3.953 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.929 6.742 -2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 21 5.059 7.456 -4.126 1.00 0.00 H new ATOM 332 N VAL A 22 6.297 2.992 -5.614 1.00 0.00 N ATOM 333 CA VAL A 22 7.091 1.747 -5.409 1.00 0.00 C ATOM 334 C VAL A 22 6.832 0.734 -6.517 1.00 0.00 C ATOM 335 O VAL A 22 5.827 0.797 -7.190 1.00 0.00 O ATOM 336 CB VAL A 22 6.681 1.131 -4.060 1.00 0.00 C ATOM 337 CG1 VAL A 22 5.465 0.222 -4.263 1.00 0.00 C ATOM 338 CG2 VAL A 22 7.844 0.302 -3.514 1.00 0.00 C ATOM 0 H VAL A 22 5.493 2.908 -6.236 1.00 0.00 H new ATOM 0 HA VAL A 22 8.151 1.999 -5.422 1.00 0.00 H new ATOM 0 HB VAL A 22 6.429 1.924 -3.356 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.174 -0.215 -3.308 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.636 0.807 -4.662 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.718 -0.574 -4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.560 -0.138 -2.558 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.088 -0.492 -4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.714 0.944 -3.374 1.00 0.00 H new ATOM 348 N GLN A 23 7.743 -0.194 -6.676 1.00 0.00 N ATOM 349 CA GLN A 23 7.563 -1.219 -7.737 1.00 0.00 C ATOM 350 C GLN A 23 6.685 -2.367 -7.262 1.00 0.00 C ATOM 351 O GLN A 23 6.741 -2.766 -6.116 1.00 0.00 O ATOM 352 CB GLN A 23 8.943 -1.773 -8.122 1.00 0.00 C ATOM 353 CG GLN A 23 9.092 -1.717 -9.644 1.00 0.00 C ATOM 354 CD GLN A 23 10.450 -2.293 -10.045 1.00 0.00 C ATOM 355 OE1 GLN A 23 11.410 -2.222 -9.304 1.00 0.00 O ATOM 356 NE2 GLN A 23 10.575 -2.871 -11.210 1.00 0.00 N ATOM 0 H GLN A 23 8.594 -0.282 -6.121 1.00 0.00 H new ATOM 0 HA GLN A 23 7.075 -0.750 -8.592 1.00 0.00 H new ATOM 0 HB2 GLN A 23 9.730 -1.190 -7.644 1.00 0.00 H new ATOM 0 HB3 GLN A 23 9.049 -2.799 -7.770 1.00 0.00 H new ATOM 0 HG2 GLN A 23 8.291 -2.282 -10.120 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.005 -0.687 -9.991 1.00 0.00 H new ATOM 0 HE21 GLN A 23 9.773 -2.934 -11.837 1.00 0.00 H new ATOM 0 HE22 GLN A 23 11.475 -3.259 -11.493 1.00 0.00 H new ATOM 365 N ILE A 24 5.885 -2.879 -8.169 1.00 0.00 N ATOM 366 CA ILE A 24 4.982 -4.008 -7.810 1.00 0.00 C ATOM 367 C ILE A 24 5.540 -5.352 -8.258 1.00 0.00 C ATOM 368 O ILE A 24 6.508 -5.425 -8.990 1.00 0.00 O ATOM 369 CB ILE A 24 3.620 -3.762 -8.495 1.00 0.00 C ATOM 370 CG1 ILE A 24 2.710 -3.013 -7.522 1.00 0.00 C ATOM 371 CG2 ILE A 24 2.955 -5.123 -8.868 1.00 0.00 C ATOM 372 CD1 ILE A 24 1.607 -2.293 -8.294 1.00 0.00 C ATOM 0 H ILE A 24 5.822 -2.562 -9.136 1.00 0.00 H new ATOM 0 HA ILE A 24 4.881 -4.046 -6.725 1.00 0.00 H new ATOM 0 HB ILE A 24 3.771 -3.178 -9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.271 -3.711 -6.810 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.292 -2.294 -6.946 1.00 0.00 H new ATOM 0 HG21 ILE A 24 1.995 -4.939 -9.350 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.605 -5.671 -9.550 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.800 -5.712 -7.964 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.962 -1.761 -7.595 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.054 -1.582 -8.989 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.017 -3.022 -8.850 1.00 0.00 H new ATOM 384 N LYS A 25 4.898 -6.394 -7.788 1.00 0.00 N ATOM 385 CA LYS A 25 5.323 -7.766 -8.138 1.00 0.00 C ATOM 386 C LYS A 25 4.123 -8.589 -8.634 1.00 0.00 C ATOM 387 O LYS A 25 3.077 -8.596 -8.013 1.00 0.00 O ATOM 388 CB LYS A 25 5.878 -8.425 -6.871 1.00 0.00 C ATOM 389 CG LYS A 25 7.046 -7.588 -6.343 1.00 0.00 C ATOM 390 CD LYS A 25 7.673 -8.302 -5.147 1.00 0.00 C ATOM 391 CE LYS A 25 8.471 -7.291 -4.321 1.00 0.00 C ATOM 392 NZ LYS A 25 9.717 -6.902 -5.037 1.00 0.00 N ATOM 0 H LYS A 25 4.089 -6.341 -7.170 1.00 0.00 H new ATOM 0 HA LYS A 25 6.074 -7.726 -8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.098 -8.502 -6.114 1.00 0.00 H new ATOM 0 HB3 LYS A 25 6.211 -9.440 -7.090 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.790 -7.444 -7.127 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.697 -6.598 -6.049 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.897 -8.760 -4.533 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.325 -9.106 -5.489 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.863 -6.407 -4.131 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.721 -7.721 -3.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.247 -6.215 -4.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 10.303 -7.746 -5.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.472 -6.472 -5.952 1.00 0.00 H new ATOM 406 N SER A 26 4.297 -9.263 -9.743 1.00 0.00 N ATOM 407 CA SER A 26 3.179 -10.091 -10.293 1.00 0.00 C ATOM 408 C SER A 26 3.340 -11.549 -9.896 1.00 0.00 C ATOM 409 O SER A 26 3.521 -11.860 -8.742 1.00 0.00 O ATOM 410 CB SER A 26 3.216 -10.016 -11.832 1.00 0.00 C ATOM 411 OG SER A 26 1.907 -10.395 -12.226 1.00 0.00 O ATOM 0 H SER A 26 5.159 -9.277 -10.289 1.00 0.00 H new ATOM 0 HA SER A 26 2.239 -9.708 -9.897 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.461 -9.012 -12.177 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.968 -10.688 -12.246 1.00 0.00 H new ATOM 0 HG SER A 26 1.957 -10.966 -13.021 1.00 0.00 H new ATOM 417 N ASN A 27 3.262 -12.420 -10.863 1.00 0.00 N ATOM 418 CA ASN A 27 3.409 -13.864 -10.556 1.00 0.00 C ATOM 419 C ASN A 27 3.939 -14.619 -11.769 1.00 0.00 C ATOM 420 O ASN A 27 4.876 -15.384 -11.668 1.00 0.00 O ATOM 421 CB ASN A 27 2.024 -14.426 -10.185 1.00 0.00 C ATOM 422 CG ASN A 27 2.047 -15.952 -10.297 1.00 0.00 C ATOM 423 OD1 ASN A 27 1.088 -16.569 -10.716 1.00 0.00 O ATOM 424 ND2 ASN A 27 3.118 -16.599 -9.932 1.00 0.00 N ATOM 0 H ASN A 27 3.104 -12.194 -11.845 1.00 0.00 H new ATOM 0 HA ASN A 27 4.112 -13.986 -9.732 1.00 0.00 H new ATOM 0 HB2 ASN A 27 1.759 -14.129 -9.170 1.00 0.00 H new ATOM 0 HB3 ASN A 27 1.263 -14.013 -10.847 1.00 0.00 H new ATOM 0 HD21 ASN A 27 3.147 -17.616 -9.999 1.00 0.00 H new ATOM 0 HD22 ASN A 27 3.927 -16.088 -9.579 1.00 0.00 H new ATOM 431 N ARG A 28 3.333 -14.378 -12.898 1.00 0.00 N ATOM 432 CA ARG A 28 3.785 -15.072 -14.131 1.00 0.00 C ATOM 433 C ARG A 28 5.127 -14.524 -14.601 1.00 0.00 C ATOM 434 O ARG A 28 5.599 -14.856 -15.670 1.00 0.00 O ATOM 435 CB ARG A 28 2.740 -14.827 -15.227 1.00 0.00 C ATOM 436 CG ARG A 28 1.375 -15.316 -14.728 1.00 0.00 C ATOM 437 CD ARG A 28 1.339 -16.849 -14.765 1.00 0.00 C ATOM 438 NE ARG A 28 1.731 -17.374 -13.425 1.00 0.00 N ATOM 439 CZ ARG A 28 2.148 -18.607 -13.315 1.00 0.00 C ATOM 440 NH1 ARG A 28 3.407 -18.870 -13.539 1.00 0.00 N ATOM 441 NH2 ARG A 28 1.293 -19.535 -12.981 1.00 0.00 N ATOM 0 H ARG A 28 2.550 -13.735 -13.018 1.00 0.00 H new ATOM 0 HA ARG A 28 3.898 -16.136 -13.923 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.694 -13.766 -15.474 1.00 0.00 H new ATOM 0 HB3 ARG A 28 3.019 -15.354 -16.139 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.198 -14.961 -13.713 1.00 0.00 H new ATOM 0 HG3 ARG A 28 0.580 -14.907 -15.351 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.340 -17.196 -15.028 1.00 0.00 H new ATOM 0 HD3 ARG A 28 2.019 -17.224 -15.530 1.00 0.00 H new ATOM 0 HE ARG A 28 1.674 -16.775 -12.601 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.047 -18.118 -13.795 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.750 -19.827 -13.458 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.317 -19.292 -12.811 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.601 -20.503 -12.890 1.00 0.00 H new ATOM 455 N ASP A 29 5.722 -13.704 -13.788 1.00 0.00 N ATOM 456 CA ASP A 29 7.032 -13.126 -14.170 1.00 0.00 C ATOM 457 C ASP A 29 8.103 -14.205 -14.256 1.00 0.00 C ATOM 458 O ASP A 29 9.282 -13.909 -14.219 1.00 0.00 O ATOM 459 CB ASP A 29 7.439 -12.113 -13.092 1.00 0.00 C ATOM 460 CG ASP A 29 8.005 -12.863 -11.886 1.00 0.00 C ATOM 461 OD1 ASP A 29 7.195 -13.235 -11.052 1.00 0.00 O ATOM 462 OD2 ASP A 29 9.213 -13.022 -11.865 1.00 0.00 O ATOM 0 H ASP A 29 5.360 -13.411 -12.881 1.00 0.00 H new ATOM 0 HA ASP A 29 6.940 -12.652 -15.147 1.00 0.00 H new ATOM 0 HB2 ASP A 29 8.183 -11.422 -13.488 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.577 -11.516 -12.793 1.00 0.00 H new ATOM 467 N LYS A 30 7.672 -15.441 -14.373 1.00 0.00 N ATOM 468 CA LYS A 30 8.647 -16.563 -14.462 1.00 0.00 C ATOM 469 C LYS A 30 8.620 -17.220 -15.841 1.00 0.00 C ATOM 470 O LYS A 30 9.451 -18.056 -16.139 1.00 0.00 O ATOM 471 CB LYS A 30 8.261 -17.616 -13.410 1.00 0.00 C ATOM 472 CG LYS A 30 8.117 -16.932 -12.044 1.00 0.00 C ATOM 473 CD LYS A 30 9.181 -17.480 -11.089 1.00 0.00 C ATOM 474 CE LYS A 30 8.904 -18.961 -10.826 1.00 0.00 C ATOM 475 NZ LYS A 30 9.309 -19.329 -9.440 1.00 0.00 N ATOM 0 H LYS A 30 6.690 -15.714 -14.410 1.00 0.00 H new ATOM 0 HA LYS A 30 9.649 -16.171 -14.290 1.00 0.00 H new ATOM 0 HB2 LYS A 30 7.325 -18.100 -13.689 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.021 -18.396 -13.362 1.00 0.00 H new ATOM 0 HG2 LYS A 30 8.229 -15.853 -12.151 1.00 0.00 H new ATOM 0 HG3 LYS A 30 7.121 -17.110 -11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 30 10.174 -17.354 -11.521 1.00 0.00 H new ATOM 0 HD3 LYS A 30 9.168 -16.923 -10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 30 7.844 -19.170 -10.969 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.449 -19.572 -11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.114 -20.338 -9.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 10.326 -19.148 -9.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 8.770 -18.758 -8.758 1.00 0.00 H new ATOM 489 N GLU A 31 7.669 -16.827 -16.664 1.00 0.00 N ATOM 490 CA GLU A 31 7.585 -17.432 -18.031 1.00 0.00 C ATOM 491 C GLU A 31 8.129 -16.487 -19.105 1.00 0.00 C ATOM 492 O GLU A 31 8.827 -16.909 -20.003 1.00 0.00 O ATOM 493 CB GLU A 31 6.108 -17.736 -18.342 1.00 0.00 C ATOM 494 CG GLU A 31 5.236 -16.597 -17.822 1.00 0.00 C ATOM 495 CD GLU A 31 3.990 -16.470 -18.700 1.00 0.00 C ATOM 496 OE1 GLU A 31 4.135 -15.890 -19.764 1.00 0.00 O ATOM 497 OE2 GLU A 31 2.964 -16.958 -18.257 1.00 0.00 O ATOM 0 H GLU A 31 6.960 -16.125 -16.450 1.00 0.00 H new ATOM 0 HA GLU A 31 8.188 -18.340 -18.041 1.00 0.00 H new ATOM 0 HB2 GLU A 31 5.968 -17.855 -19.416 1.00 0.00 H new ATOM 0 HB3 GLU A 31 5.813 -18.676 -17.876 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.948 -16.788 -16.788 1.00 0.00 H new ATOM 0 HG3 GLU A 31 5.797 -15.662 -17.830 1.00 0.00 H new ATOM 504 N THR A 32 7.800 -15.227 -18.995 1.00 0.00 N ATOM 505 CA THR A 32 8.297 -14.252 -20.008 1.00 0.00 C ATOM 506 C THR A 32 8.224 -12.826 -19.472 1.00 0.00 C ATOM 507 O THR A 32 7.518 -12.566 -18.518 1.00 0.00 O ATOM 508 CB THR A 32 7.384 -14.351 -21.244 1.00 0.00 C ATOM 509 OG1 THR A 32 8.147 -13.843 -22.319 1.00 0.00 O ATOM 510 CG2 THR A 32 6.192 -13.385 -21.123 1.00 0.00 C ATOM 0 H THR A 32 7.216 -14.835 -18.257 1.00 0.00 H new ATOM 0 HA THR A 32 9.334 -14.483 -20.251 1.00 0.00 H new ATOM 0 HB THR A 32 7.034 -15.377 -21.361 1.00 0.00 H new ATOM 0 HG1 THR A 32 7.617 -13.881 -23.143 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.561 -13.473 -22.008 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.610 -13.635 -20.236 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.560 -12.362 -21.040 1.00 0.00 H new ATOM 518 N LYS A 33 8.959 -11.920 -20.087 1.00 0.00 N ATOM 519 CA LYS A 33 8.912 -10.520 -19.597 1.00 0.00 C ATOM 520 C LYS A 33 7.461 -10.136 -19.419 1.00 0.00 C ATOM 521 O LYS A 33 6.739 -9.979 -20.385 1.00 0.00 O ATOM 522 CB LYS A 33 9.565 -9.593 -20.637 1.00 0.00 C ATOM 523 CG LYS A 33 10.371 -8.516 -19.903 1.00 0.00 C ATOM 524 CD LYS A 33 11.038 -7.593 -20.924 1.00 0.00 C ATOM 525 CE LYS A 33 11.925 -6.588 -20.182 1.00 0.00 C ATOM 526 NZ LYS A 33 13.352 -7.017 -20.228 1.00 0.00 N ATOM 0 H LYS A 33 9.570 -12.093 -20.885 1.00 0.00 H new ATOM 0 HA LYS A 33 9.448 -10.428 -18.652 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.215 -10.166 -21.298 1.00 0.00 H new ATOM 0 HB3 LYS A 33 8.801 -9.132 -21.263 1.00 0.00 H new ATOM 0 HG2 LYS A 33 9.717 -7.940 -19.249 1.00 0.00 H new ATOM 0 HG3 LYS A 33 11.126 -8.981 -19.269 1.00 0.00 H new ATOM 0 HD2 LYS A 33 11.635 -8.176 -21.625 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.282 -7.069 -21.508 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.821 -5.601 -20.632 1.00 0.00 H new ATOM 0 HE3 LYS A 33 11.598 -6.502 -19.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 13.939 -6.325 -19.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 13.449 -7.949 -19.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 13.665 -7.077 -21.218 1.00 0.00 H new ATOM 540 N VAL A 34 7.059 -9.987 -18.192 1.00 0.00 N ATOM 541 CA VAL A 34 5.651 -9.619 -17.930 1.00 0.00 C ATOM 542 C VAL A 34 5.448 -8.140 -17.656 1.00 0.00 C ATOM 543 O VAL A 34 6.164 -7.529 -16.889 1.00 0.00 O ATOM 544 CB VAL A 34 5.197 -10.395 -16.691 1.00 0.00 C ATOM 545 CG1 VAL A 34 5.826 -9.771 -15.446 1.00 0.00 C ATOM 546 CG2 VAL A 34 3.678 -10.317 -16.580 1.00 0.00 C ATOM 0 H VAL A 34 7.644 -10.104 -17.364 1.00 0.00 H new ATOM 0 HA VAL A 34 5.077 -9.860 -18.825 1.00 0.00 H new ATOM 0 HB VAL A 34 5.507 -11.437 -16.775 1.00 0.00 H new ATOM 0 HG11 VAL A 34 5.505 -10.321 -14.561 1.00 0.00 H new ATOM 0 HG12 VAL A 34 6.912 -9.815 -15.526 1.00 0.00 H new ATOM 0 HG13 VAL A 34 5.510 -8.731 -15.361 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.349 -10.868 -15.699 1.00 0.00 H new ATOM 0 HG22 VAL A 34 3.373 -9.274 -16.491 1.00 0.00 H new ATOM 0 HG23 VAL A 34 3.225 -10.753 -17.471 1.00 0.00 H new ATOM 556 N PHE A 35 4.453 -7.601 -18.307 1.00 0.00 N ATOM 557 CA PHE A 35 4.129 -6.171 -18.137 1.00 0.00 C ATOM 558 C PHE A 35 2.968 -6.061 -17.164 1.00 0.00 C ATOM 559 O PHE A 35 2.180 -6.997 -17.031 1.00 0.00 O ATOM 560 CB PHE A 35 3.721 -5.574 -19.499 1.00 0.00 C ATOM 561 CG PHE A 35 4.975 -5.205 -20.309 1.00 0.00 C ATOM 562 CD1 PHE A 35 6.210 -5.767 -20.014 1.00 0.00 C ATOM 563 CD2 PHE A 35 4.891 -4.281 -21.339 1.00 0.00 C ATOM 564 CE1 PHE A 35 7.331 -5.404 -20.732 1.00 0.00 C ATOM 565 CE2 PHE A 35 6.014 -3.923 -22.052 1.00 0.00 C ATOM 566 CZ PHE A 35 7.232 -4.484 -21.748 1.00 0.00 C ATOM 0 H PHE A 35 3.848 -8.104 -18.956 1.00 0.00 H new ATOM 0 HA PHE A 35 4.993 -5.627 -17.755 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.118 -6.292 -20.054 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.103 -4.689 -19.347 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.294 -6.492 -19.218 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.937 -3.838 -21.585 1.00 0.00 H new ATOM 0 HE1 PHE A 35 8.288 -5.844 -20.495 1.00 0.00 H new ATOM 0 HE2 PHE A 35 5.938 -3.200 -22.851 1.00 0.00 H new ATOM 0 HZ PHE A 35 8.111 -4.201 -22.308 1.00 0.00 H new ATOM 576 N TYR A 36 2.851 -4.929 -16.519 1.00 0.00 N ATOM 577 CA TYR A 36 1.740 -4.758 -15.545 1.00 0.00 C ATOM 578 C TYR A 36 0.547 -3.986 -16.090 1.00 0.00 C ATOM 579 O TYR A 36 0.603 -3.358 -17.129 1.00 0.00 O ATOM 580 CB TYR A 36 2.286 -3.976 -14.351 1.00 0.00 C ATOM 581 CG TYR A 36 3.060 -4.917 -13.436 1.00 0.00 C ATOM 582 CD1 TYR A 36 2.392 -5.795 -12.608 1.00 0.00 C ATOM 583 CD2 TYR A 36 4.438 -4.891 -13.410 1.00 0.00 C ATOM 584 CE1 TYR A 36 3.090 -6.628 -11.770 1.00 0.00 C ATOM 585 CE2 TYR A 36 5.134 -5.725 -12.571 1.00 0.00 C ATOM 586 CZ TYR A 36 4.465 -6.600 -11.744 1.00 0.00 C ATOM 587 OH TYR A 36 5.157 -7.426 -10.901 1.00 0.00 O ATOM 0 H TYR A 36 3.471 -4.126 -16.625 1.00 0.00 H new ATOM 0 HA TYR A 36 1.386 -5.757 -15.289 1.00 0.00 H new ATOM 0 HB2 TYR A 36 2.936 -3.172 -14.696 1.00 0.00 H new ATOM 0 HB3 TYR A 36 1.467 -3.511 -13.803 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.313 -5.827 -12.619 1.00 0.00 H new ATOM 0 HD2 TYR A 36 4.974 -4.210 -14.054 1.00 0.00 H new ATOM 0 HE1 TYR A 36 2.556 -7.311 -11.126 1.00 0.00 H new ATOM 0 HE2 TYR A 36 6.214 -5.695 -12.559 1.00 0.00 H new ATOM 0 HH TYR A 36 5.876 -7.871 -11.396 1.00 0.00 H new ATOM 597 N SER A 37 -0.520 -4.072 -15.342 1.00 0.00 N ATOM 598 CA SER A 37 -1.777 -3.386 -15.706 1.00 0.00 C ATOM 599 C SER A 37 -2.637 -3.278 -14.449 1.00 0.00 C ATOM 600 O SER A 37 -2.747 -4.231 -13.713 1.00 0.00 O ATOM 601 CB SER A 37 -2.515 -4.230 -16.756 1.00 0.00 C ATOM 602 OG SER A 37 -1.735 -4.075 -17.934 1.00 0.00 O ATOM 0 H SER A 37 -0.566 -4.605 -14.473 1.00 0.00 H new ATOM 0 HA SER A 37 -1.574 -2.395 -16.112 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.579 -5.276 -16.454 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.536 -3.878 -16.905 1.00 0.00 H new ATOM 0 HG SER A 37 -0.975 -3.484 -17.748 1.00 0.00 H new ATOM 608 N ILE A 38 -3.223 -2.127 -14.213 1.00 0.00 N ATOM 609 CA ILE A 38 -4.072 -1.982 -12.986 1.00 0.00 C ATOM 610 C ILE A 38 -5.394 -1.296 -13.276 1.00 0.00 C ATOM 611 O ILE A 38 -5.501 -0.482 -14.173 1.00 0.00 O ATOM 612 CB ILE A 38 -3.289 -1.149 -11.971 1.00 0.00 C ATOM 613 CG1 ILE A 38 -4.204 -0.724 -10.802 1.00 0.00 C ATOM 614 CG2 ILE A 38 -2.727 0.094 -12.691 1.00 0.00 C ATOM 615 CD1 ILE A 38 -4.776 0.689 -11.025 1.00 0.00 C ATOM 0 H ILE A 38 -3.153 -1.298 -14.803 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.301 -2.977 -12.604 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.472 -1.741 -11.559 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.021 -1.438 -10.699 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.641 -0.748 -9.869 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -2.164 0.702 -11.982 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -2.069 -0.221 -13.501 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.550 0.681 -13.099 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.416 0.959 -10.185 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.958 1.405 -11.103 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.360 0.704 -11.945 1.00 0.00 H new ATOM 627 N THR A 39 -6.383 -1.648 -12.497 1.00 0.00 N ATOM 628 CA THR A 39 -7.722 -1.050 -12.677 1.00 0.00 C ATOM 629 C THR A 39 -8.518 -1.146 -11.377 1.00 0.00 C ATOM 630 O THR A 39 -8.208 -1.957 -10.518 1.00 0.00 O ATOM 631 CB THR A 39 -8.454 -1.832 -13.772 1.00 0.00 C ATOM 632 OG1 THR A 39 -9.826 -1.546 -13.587 1.00 0.00 O ATOM 633 CG2 THR A 39 -8.336 -3.344 -13.533 1.00 0.00 C ATOM 0 H THR A 39 -6.312 -2.329 -11.741 1.00 0.00 H new ATOM 0 HA THR A 39 -7.622 -0.000 -12.954 1.00 0.00 H new ATOM 0 HB THR A 39 -8.049 -1.567 -14.748 1.00 0.00 H new ATOM 0 HG1 THR A 39 -10.101 -0.844 -14.213 1.00 0.00 H new ATOM 0 HG21 THR A 39 -8.863 -3.879 -14.323 1.00 0.00 H new ATOM 0 HG22 THR A 39 -7.285 -3.632 -13.538 1.00 0.00 H new ATOM 0 HG23 THR A 39 -8.776 -3.595 -12.568 1.00 0.00 H new ATOM 641 N GLY A 40 -9.523 -0.313 -11.255 1.00 0.00 N ATOM 642 CA GLY A 40 -10.361 -0.333 -10.015 1.00 0.00 C ATOM 643 C GLY A 40 -10.476 1.076 -9.429 1.00 0.00 C ATOM 644 O GLY A 40 -10.036 2.037 -10.028 1.00 0.00 O ATOM 0 H GLY A 40 -9.798 0.376 -11.955 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.353 -0.721 -10.245 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.919 -1.005 -9.280 1.00 0.00 H new ATOM 648 N GLN A 41 -11.069 1.170 -8.269 1.00 0.00 N ATOM 649 CA GLN A 41 -11.217 2.505 -7.636 1.00 0.00 C ATOM 650 C GLN A 41 -9.872 3.212 -7.556 1.00 0.00 C ATOM 651 O GLN A 41 -9.024 2.847 -6.765 1.00 0.00 O ATOM 652 CB GLN A 41 -11.761 2.312 -6.213 1.00 0.00 C ATOM 653 CG GLN A 41 -11.532 0.863 -5.779 1.00 0.00 C ATOM 654 CD GLN A 41 -11.762 0.745 -4.269 1.00 0.00 C ATOM 655 OE1 GLN A 41 -11.046 1.321 -3.476 1.00 0.00 O ATOM 656 NE2 GLN A 41 -12.748 0.009 -3.834 1.00 0.00 N ATOM 0 H GLN A 41 -11.453 0.387 -7.740 1.00 0.00 H new ATOM 0 HA GLN A 41 -11.898 3.111 -8.234 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -11.262 2.994 -5.524 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -12.824 2.550 -6.182 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.210 0.199 -6.315 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -10.518 0.552 -6.029 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -13.352 -0.477 -4.496 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -12.914 -0.080 -2.832 1.00 0.00 H new ATOM 665 N GLY A 42 -9.705 4.219 -8.380 1.00 0.00 N ATOM 666 CA GLY A 42 -8.416 4.980 -8.379 1.00 0.00 C ATOM 667 C GLY A 42 -7.880 5.101 -9.806 1.00 0.00 C ATOM 668 O GLY A 42 -7.139 6.013 -10.119 1.00 0.00 O ATOM 0 H GLY A 42 -10.402 4.545 -9.050 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.570 5.972 -7.954 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.685 4.473 -7.749 1.00 0.00 H new ATOM 672 N ALA A 43 -8.273 4.170 -10.640 1.00 0.00 N ATOM 673 CA ALA A 43 -7.813 4.191 -12.053 1.00 0.00 C ATOM 674 C ALA A 43 -8.980 4.470 -12.987 1.00 0.00 C ATOM 675 O ALA A 43 -8.988 5.460 -13.693 1.00 0.00 O ATOM 676 CB ALA A 43 -7.231 2.810 -12.389 1.00 0.00 C ATOM 0 H ALA A 43 -8.893 3.397 -10.398 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.065 4.973 -12.179 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.886 2.802 -13.423 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -6.393 2.597 -11.726 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.000 2.049 -12.257 1.00 0.00 H new ATOM 682 N ASP A 44 -9.948 3.583 -12.968 1.00 0.00 N ATOM 683 CA ASP A 44 -11.140 3.758 -13.842 1.00 0.00 C ATOM 684 C ASP A 44 -12.398 3.956 -13.006 1.00 0.00 C ATOM 685 O ASP A 44 -13.372 4.515 -13.471 1.00 0.00 O ATOM 686 CB ASP A 44 -11.305 2.485 -14.688 1.00 0.00 C ATOM 687 CG ASP A 44 -11.235 1.260 -13.775 1.00 0.00 C ATOM 688 OD1 ASP A 44 -11.091 1.480 -12.583 1.00 0.00 O ATOM 689 OD2 ASP A 44 -11.329 0.173 -14.320 1.00 0.00 O ATOM 0 H ASP A 44 -9.959 2.747 -12.383 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.998 4.636 -14.472 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -12.259 2.506 -15.215 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -10.523 2.434 -15.445 1.00 0.00 H new ATOM 694 N LYS A 45 -12.350 3.494 -11.780 1.00 0.00 N ATOM 695 CA LYS A 45 -13.532 3.642 -10.889 1.00 0.00 C ATOM 696 C LYS A 45 -13.338 4.829 -9.936 1.00 0.00 C ATOM 697 O LYS A 45 -12.226 5.159 -9.575 1.00 0.00 O ATOM 698 CB LYS A 45 -13.666 2.359 -10.051 1.00 0.00 C ATOM 699 CG LYS A 45 -14.685 1.426 -10.707 1.00 0.00 C ATOM 700 CD LYS A 45 -14.044 0.761 -11.926 1.00 0.00 C ATOM 701 CE LYS A 45 -15.139 0.388 -12.926 1.00 0.00 C ATOM 702 NZ LYS A 45 -16.154 -0.493 -12.282 1.00 0.00 N ATOM 0 H LYS A 45 -11.546 3.024 -11.364 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.422 3.813 -11.494 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -12.700 1.861 -9.971 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.982 2.605 -9.037 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -15.014 0.669 -9.995 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -15.570 1.987 -11.007 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -13.326 1.438 -12.389 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.493 -0.129 -11.622 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -15.619 1.291 -13.303 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -14.699 -0.121 -13.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -16.729 -0.954 -13.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.673 -1.219 -11.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -16.769 0.078 -11.667 1.00 0.00 H new ATOM 716 N PRO A 46 -14.437 5.448 -9.540 1.00 0.00 N ATOM 717 CA PRO A 46 -14.380 6.591 -8.633 1.00 0.00 C ATOM 718 C PRO A 46 -13.699 6.207 -7.301 1.00 0.00 C ATOM 719 O PRO A 46 -14.090 5.246 -6.669 1.00 0.00 O ATOM 720 CB PRO A 46 -15.859 6.950 -8.360 1.00 0.00 C ATOM 721 CG PRO A 46 -16.739 5.933 -9.148 1.00 0.00 C ATOM 722 CD PRO A 46 -15.787 5.042 -9.958 1.00 0.00 C ATOM 0 HA PRO A 46 -13.809 7.414 -9.063 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -16.076 6.899 -7.293 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -16.072 7.970 -8.680 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -17.339 5.333 -8.464 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.433 6.454 -9.808 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -15.963 3.986 -9.752 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -15.928 5.185 -11.029 1.00 0.00 H new ATOM 730 N PRO A 47 -12.682 6.968 -6.887 1.00 0.00 N ATOM 731 CA PRO A 47 -12.154 8.123 -7.637 1.00 0.00 C ATOM 732 C PRO A 47 -11.473 7.687 -8.939 1.00 0.00 C ATOM 733 O PRO A 47 -10.519 6.937 -8.920 1.00 0.00 O ATOM 734 CB PRO A 47 -11.094 8.743 -6.702 1.00 0.00 C ATOM 735 CG PRO A 47 -10.993 7.833 -5.440 1.00 0.00 C ATOM 736 CD PRO A 47 -12.021 6.704 -5.608 1.00 0.00 C ATOM 0 HA PRO A 47 -12.953 8.812 -7.911 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -10.130 8.808 -7.206 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -11.377 9.758 -6.421 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.987 7.425 -5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -11.196 8.406 -4.535 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -11.536 5.728 -5.611 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -12.739 6.701 -4.788 1.00 0.00 H new ATOM 744 N VAL A 48 -11.976 8.167 -10.045 1.00 0.00 N ATOM 745 CA VAL A 48 -11.368 7.788 -11.347 1.00 0.00 C ATOM 746 C VAL A 48 -10.127 8.625 -11.643 1.00 0.00 C ATOM 747 O VAL A 48 -10.138 9.833 -11.503 1.00 0.00 O ATOM 748 CB VAL A 48 -12.405 8.036 -12.456 1.00 0.00 C ATOM 749 CG1 VAL A 48 -13.166 9.328 -12.155 1.00 0.00 C ATOM 750 CG2 VAL A 48 -11.685 8.176 -13.798 1.00 0.00 C ATOM 0 H VAL A 48 -12.774 8.799 -10.101 1.00 0.00 H new ATOM 0 HA VAL A 48 -11.075 6.739 -11.305 1.00 0.00 H new ATOM 0 HB VAL A 48 -13.103 7.200 -12.499 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.902 9.508 -12.939 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -13.673 9.236 -11.195 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -12.466 10.162 -12.117 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.416 8.352 -14.587 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.991 9.015 -13.753 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -11.133 7.261 -14.012 1.00 0.00 H new ATOM 760 N GLY A 49 -9.074 7.965 -12.046 1.00 0.00 N ATOM 761 CA GLY A 49 -7.817 8.706 -12.361 1.00 0.00 C ATOM 762 C GLY A 49 -7.087 9.126 -11.081 1.00 0.00 C ATOM 763 O GLY A 49 -7.260 10.228 -10.600 1.00 0.00 O ATOM 0 H GLY A 49 -9.029 6.954 -12.170 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -7.163 8.078 -12.966 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.051 9.589 -12.956 1.00 0.00 H new ATOM 767 N VAL A 50 -6.278 8.239 -10.562 1.00 0.00 N ATOM 768 CA VAL A 50 -5.528 8.570 -9.321 1.00 0.00 C ATOM 769 C VAL A 50 -4.268 7.718 -9.213 1.00 0.00 C ATOM 770 O VAL A 50 -3.245 8.184 -8.741 1.00 0.00 O ATOM 771 CB VAL A 50 -6.426 8.286 -8.102 1.00 0.00 C ATOM 772 CG1 VAL A 50 -5.592 8.409 -6.825 1.00 0.00 C ATOM 773 CG2 VAL A 50 -7.557 9.313 -8.058 1.00 0.00 C ATOM 0 H VAL A 50 -6.107 7.308 -10.942 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.244 9.622 -9.351 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.842 7.281 -8.179 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.222 8.209 -5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -4.775 7.688 -6.853 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -5.184 9.417 -6.752 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.195 9.115 -7.196 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.136 10.315 -7.975 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.148 9.242 -8.971 1.00 0.00 H new ATOM 783 N PHE A 51 -4.369 6.476 -9.657 1.00 0.00 N ATOM 784 CA PHE A 51 -3.187 5.559 -9.596 1.00 0.00 C ATOM 785 C PHE A 51 -2.802 5.060 -10.987 1.00 0.00 C ATOM 786 O PHE A 51 -3.651 4.699 -11.777 1.00 0.00 O ATOM 787 CB PHE A 51 -3.554 4.323 -8.752 1.00 0.00 C ATOM 788 CG PHE A 51 -3.675 4.696 -7.275 1.00 0.00 C ATOM 789 CD1 PHE A 51 -4.871 5.172 -6.767 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.608 4.508 -6.413 1.00 0.00 C ATOM 791 CE1 PHE A 51 -4.997 5.447 -5.422 1.00 0.00 C ATOM 792 CE2 PHE A 51 -2.740 4.787 -5.068 1.00 0.00 C ATOM 793 CZ PHE A 51 -3.935 5.254 -4.574 1.00 0.00 C ATOM 0 H PHE A 51 -5.215 6.067 -10.055 1.00 0.00 H new ATOM 0 HA PHE A 51 -2.355 6.113 -9.162 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.496 3.902 -9.104 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -2.794 3.552 -8.877 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -5.711 5.329 -7.428 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -1.667 4.141 -6.795 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -5.935 5.816 -5.034 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -1.903 4.638 -4.402 1.00 0.00 H new ATOM 0 HZ PHE A 51 -4.038 5.469 -3.521 1.00 0.00 H new ATOM 803 N ILE A 52 -1.526 5.053 -11.257 1.00 0.00 N ATOM 804 CA ILE A 52 -1.051 4.580 -12.584 1.00 0.00 C ATOM 805 C ILE A 52 0.214 3.771 -12.424 1.00 0.00 C ATOM 806 O ILE A 52 1.168 4.214 -11.819 1.00 0.00 O ATOM 807 CB ILE A 52 -0.777 5.786 -13.481 1.00 0.00 C ATOM 808 CG1 ILE A 52 -0.123 6.902 -12.674 1.00 0.00 C ATOM 809 CG2 ILE A 52 -2.120 6.301 -14.023 1.00 0.00 C ATOM 810 CD1 ILE A 52 0.602 7.865 -13.623 1.00 0.00 C ATOM 0 H ILE A 52 -0.793 5.355 -10.615 1.00 0.00 H new ATOM 0 HA ILE A 52 -1.818 3.951 -13.036 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.113 5.491 -14.293 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.878 7.440 -12.100 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.582 6.481 -11.957 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.946 7.163 -14.667 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.607 5.513 -14.596 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.760 6.593 -13.191 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.069 8.662 -13.045 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.368 7.322 -14.177 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.115 8.296 -14.322 1.00 0.00 H new ATOM 822 N ILE A 53 0.194 2.592 -12.978 1.00 0.00 N ATOM 823 CA ILE A 53 1.376 1.714 -12.881 1.00 0.00 C ATOM 824 C ILE A 53 2.158 1.657 -14.186 1.00 0.00 C ATOM 825 O ILE A 53 1.596 1.761 -15.259 1.00 0.00 O ATOM 826 CB ILE A 53 0.875 0.312 -12.540 1.00 0.00 C ATOM 827 CG1 ILE A 53 1.977 -0.454 -11.860 1.00 0.00 C ATOM 828 CG2 ILE A 53 0.497 -0.417 -13.844 1.00 0.00 C ATOM 829 CD1 ILE A 53 1.412 -1.752 -11.286 1.00 0.00 C ATOM 0 H ILE A 53 -0.596 2.204 -13.494 1.00 0.00 H new ATOM 0 HA ILE A 53 2.047 2.107 -12.118 1.00 0.00 H new ATOM 0 HB ILE A 53 0.008 0.380 -11.883 1.00 0.00 H new ATOM 0 HG12 ILE A 53 2.774 -0.674 -12.570 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.416 0.148 -11.064 1.00 0.00 H new ATOM 0 HG21 ILE A 53 0.138 -1.419 -13.610 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -0.288 0.139 -14.357 1.00 0.00 H new ATOM 0 HG23 ILE A 53 1.373 -0.487 -14.489 1.00 0.00 H new ATOM 0 HD11 ILE A 53 2.209 -2.309 -10.793 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.630 -1.520 -10.563 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.994 -2.355 -12.092 1.00 0.00 H new ATOM 841 N GLU A 54 3.452 1.494 -14.068 1.00 0.00 N ATOM 842 CA GLU A 54 4.285 1.425 -15.286 1.00 0.00 C ATOM 843 C GLU A 54 4.163 0.051 -15.910 1.00 0.00 C ATOM 844 O GLU A 54 4.829 -0.883 -15.519 1.00 0.00 O ATOM 845 CB GLU A 54 5.747 1.667 -14.905 1.00 0.00 C ATOM 846 CG GLU A 54 6.612 1.599 -16.167 1.00 0.00 C ATOM 847 CD GLU A 54 6.055 2.563 -17.214 1.00 0.00 C ATOM 848 OE1 GLU A 54 5.867 3.711 -16.847 1.00 0.00 O ATOM 849 OE2 GLU A 54 5.848 2.097 -18.323 1.00 0.00 O ATOM 0 H GLU A 54 3.955 1.407 -13.185 1.00 0.00 H new ATOM 0 HA GLU A 54 3.951 2.180 -15.997 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.855 2.641 -14.427 1.00 0.00 H new ATOM 0 HB3 GLU A 54 6.076 0.920 -14.183 1.00 0.00 H new ATOM 0 HG2 GLU A 54 7.644 1.859 -15.929 1.00 0.00 H new ATOM 0 HG3 GLU A 54 6.622 0.583 -16.561 1.00 0.00 H new ATOM 856 N ARG A 55 3.307 -0.039 -16.862 1.00 0.00 N ATOM 857 CA ARG A 55 3.092 -1.326 -17.549 1.00 0.00 C ATOM 858 C ARG A 55 4.413 -2.030 -17.897 1.00 0.00 C ATOM 859 O ARG A 55 4.446 -3.235 -18.047 1.00 0.00 O ATOM 860 CB ARG A 55 2.324 -1.018 -18.850 1.00 0.00 C ATOM 861 CG ARG A 55 2.252 -2.269 -19.717 1.00 0.00 C ATOM 862 CD ARG A 55 1.531 -1.931 -21.018 1.00 0.00 C ATOM 863 NE ARG A 55 2.455 -1.150 -21.885 1.00 0.00 N ATOM 864 CZ ARG A 55 2.011 -0.644 -22.999 1.00 0.00 C ATOM 865 NH1 ARG A 55 1.004 -1.219 -23.595 1.00 0.00 N ATOM 866 NH2 ARG A 55 2.586 0.425 -23.481 1.00 0.00 N ATOM 0 H ARG A 55 2.735 0.734 -17.203 1.00 0.00 H new ATOM 0 HA ARG A 55 2.539 -1.996 -16.890 1.00 0.00 H new ATOM 0 HB2 ARG A 55 1.318 -0.669 -18.615 1.00 0.00 H new ATOM 0 HB3 ARG A 55 2.821 -0.215 -19.395 1.00 0.00 H new ATOM 0 HG2 ARG A 55 3.255 -2.639 -19.928 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.724 -3.063 -19.189 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.218 -2.844 -21.525 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.629 -1.355 -20.812 1.00 0.00 H new ATOM 0 HE ARG A 55 3.427 -1.013 -21.609 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.578 -2.051 -23.187 1.00 0.00 H new ATOM 0 HH12 ARG A 55 0.643 -0.837 -24.469 1.00 0.00 H new ATOM 0 HH21 ARG A 55 3.370 0.850 -22.986 1.00 0.00 H new ATOM 0 HH22 ARG A 55 2.251 0.835 -24.353 1.00 0.00 H new ATOM 880 N GLU A 56 5.484 -1.283 -17.988 1.00 0.00 N ATOM 881 CA GLU A 56 6.784 -1.925 -18.329 1.00 0.00 C ATOM 882 C GLU A 56 7.569 -2.385 -17.101 1.00 0.00 C ATOM 883 O GLU A 56 7.728 -3.569 -16.874 1.00 0.00 O ATOM 884 CB GLU A 56 7.635 -0.894 -19.083 1.00 0.00 C ATOM 885 CG GLU A 56 6.863 -0.406 -20.309 1.00 0.00 C ATOM 886 CD GLU A 56 7.822 0.323 -21.253 1.00 0.00 C ATOM 887 OE1 GLU A 56 9.014 0.156 -21.047 1.00 0.00 O ATOM 888 OE2 GLU A 56 7.310 1.005 -22.125 1.00 0.00 O ATOM 0 H GLU A 56 5.514 -0.274 -17.843 1.00 0.00 H new ATOM 0 HA GLU A 56 6.568 -2.811 -18.927 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.873 -0.054 -18.430 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.582 -1.339 -19.388 1.00 0.00 H new ATOM 0 HG2 GLU A 56 6.401 -1.250 -20.822 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.057 0.262 -20.004 1.00 0.00 H new ATOM 895 N THR A 57 8.043 -1.447 -16.334 1.00 0.00 N ATOM 896 CA THR A 57 8.825 -1.818 -15.118 1.00 0.00 C ATOM 897 C THR A 57 7.933 -2.228 -13.954 1.00 0.00 C ATOM 898 O THR A 57 8.358 -2.957 -13.078 1.00 0.00 O ATOM 899 CB THR A 57 9.648 -0.603 -14.696 1.00 0.00 C ATOM 900 OG1 THR A 57 8.710 0.439 -14.515 1.00 0.00 O ATOM 901 CG2 THR A 57 10.543 -0.126 -15.848 1.00 0.00 C ATOM 0 H THR A 57 7.926 -0.446 -16.491 1.00 0.00 H new ATOM 0 HA THR A 57 9.454 -2.672 -15.367 1.00 0.00 H new ATOM 0 HB THR A 57 10.251 -0.848 -13.821 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.172 1.303 -14.540 1.00 0.00 H new ATOM 0 HG21 THR A 57 11.120 0.740 -15.525 1.00 0.00 H new ATOM 0 HG22 THR A 57 11.222 -0.928 -16.137 1.00 0.00 H new ATOM 0 HG23 THR A 57 9.923 0.149 -16.701 1.00 0.00 H new ATOM 909 N GLY A 58 6.727 -1.756 -13.953 1.00 0.00 N ATOM 910 CA GLY A 58 5.808 -2.123 -12.836 1.00 0.00 C ATOM 911 C GLY A 58 5.898 -1.076 -11.722 1.00 0.00 C ATOM 912 O GLY A 58 5.471 -1.311 -10.601 1.00 0.00 O ATOM 0 H GLY A 58 6.334 -1.139 -14.664 1.00 0.00 H new ATOM 0 HA2 GLY A 58 4.784 -2.189 -13.203 1.00 0.00 H new ATOM 0 HA3 GLY A 58 6.071 -3.106 -12.445 1.00 0.00 H new ATOM 916 N TRP A 59 6.474 0.050 -12.053 1.00 0.00 N ATOM 917 CA TRP A 59 6.612 1.129 -11.053 1.00 0.00 C ATOM 918 C TRP A 59 5.258 1.763 -10.770 1.00 0.00 C ATOM 919 O TRP A 59 4.661 2.364 -11.638 1.00 0.00 O ATOM 920 CB TRP A 59 7.551 2.205 -11.627 1.00 0.00 C ATOM 921 CG TRP A 59 8.954 2.023 -11.037 1.00 0.00 C ATOM 922 CD1 TRP A 59 9.976 1.488 -11.686 1.00 0.00 C ATOM 923 CD2 TRP A 59 9.296 2.370 -9.822 1.00 0.00 C ATOM 924 NE1 TRP A 59 10.980 1.528 -10.790 1.00 0.00 N ATOM 925 CE2 TRP A 59 10.625 2.079 -9.571 1.00 0.00 C ATOM 926 CE3 TRP A 59 8.522 2.955 -8.841 1.00 0.00 C ATOM 927 CZ2 TRP A 59 11.175 2.373 -8.340 1.00 0.00 C ATOM 928 CZ3 TRP A 59 9.073 3.248 -7.610 1.00 0.00 C ATOM 929 CH2 TRP A 59 10.398 2.957 -7.360 1.00 0.00 C ATOM 0 H TRP A 59 6.853 0.262 -12.976 1.00 0.00 H new ATOM 0 HA TRP A 59 7.012 0.716 -10.127 1.00 0.00 H new ATOM 0 HB2 TRP A 59 7.589 2.128 -12.714 1.00 0.00 H new ATOM 0 HB3 TRP A 59 7.171 3.199 -11.390 1.00 0.00 H new ATOM 0 HD1 TRP A 59 9.999 1.109 -12.697 1.00 0.00 H new ATOM 0 HE1 TRP A 59 11.919 1.183 -10.992 1.00 0.00 H new ATOM 0 HE3 TRP A 59 7.485 3.184 -9.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 12.213 2.146 -8.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 8.467 3.705 -6.842 1.00 0.00 H new ATOM 0 HH2 TRP A 59 10.828 3.186 -6.396 1.00 0.00 H new ATOM 940 N LEU A 60 4.789 1.609 -9.561 1.00 0.00 N ATOM 941 CA LEU A 60 3.475 2.200 -9.218 1.00 0.00 C ATOM 942 C LEU A 60 3.616 3.682 -8.928 1.00 0.00 C ATOM 943 O LEU A 60 4.355 4.081 -8.036 1.00 0.00 O ATOM 944 CB LEU A 60 2.918 1.502 -7.967 1.00 0.00 C ATOM 945 CG LEU A 60 1.397 1.316 -8.125 1.00 0.00 C ATOM 946 CD1 LEU A 60 0.795 0.894 -6.785 1.00 0.00 C ATOM 947 CD2 LEU A 60 0.757 2.636 -8.557 1.00 0.00 C ATOM 0 H LEU A 60 5.256 1.105 -8.808 1.00 0.00 H new ATOM 0 HA LEU A 60 2.800 2.065 -10.063 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.402 0.535 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 60 3.133 2.096 -7.079 1.00 0.00 H new ATOM 0 HG LEU A 60 1.208 0.551 -8.878 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.281 0.762 -6.895 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.245 -0.045 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.992 1.664 -6.039 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.319 2.500 -8.668 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.951 3.398 -7.802 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.182 2.952 -9.509 1.00 0.00 H new ATOM 959 N LYS A 61 2.903 4.467 -9.696 1.00 0.00 N ATOM 960 CA LYS A 61 2.946 5.941 -9.518 1.00 0.00 C ATOM 961 C LYS A 61 1.540 6.462 -9.289 1.00 0.00 C ATOM 962 O LYS A 61 0.583 5.790 -9.606 1.00 0.00 O ATOM 963 CB LYS A 61 3.511 6.591 -10.810 1.00 0.00 C ATOM 964 CG LYS A 61 4.625 5.704 -11.412 1.00 0.00 C ATOM 965 CD LYS A 61 4.811 6.045 -12.901 1.00 0.00 C ATOM 966 CE LYS A 61 5.949 7.057 -13.051 1.00 0.00 C ATOM 967 NZ LYS A 61 5.820 7.793 -14.340 1.00 0.00 N ATOM 0 H LYS A 61 2.290 4.142 -10.443 1.00 0.00 H new ATOM 0 HA LYS A 61 3.577 6.187 -8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 61 2.711 6.726 -11.538 1.00 0.00 H new ATOM 0 HB3 LYS A 61 3.907 7.581 -10.584 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.559 5.861 -10.873 1.00 0.00 H new ATOM 0 HG3 LYS A 61 4.366 4.651 -11.300 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.036 5.141 -13.467 1.00 0.00 H new ATOM 0 HD3 LYS A 61 3.888 6.456 -13.310 1.00 0.00 H new ATOM 0 HE2 LYS A 61 5.931 7.761 -12.219 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.909 6.543 -13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.599 8.477 -14.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 5.860 7.118 -15.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.911 8.299 -14.362 1.00 0.00 H new ATOM 981 N VAL A 62 1.438 7.647 -8.735 1.00 0.00 N ATOM 982 CA VAL A 62 0.082 8.224 -8.480 1.00 0.00 C ATOM 983 C VAL A 62 -0.072 9.594 -9.115 1.00 0.00 C ATOM 984 O VAL A 62 0.844 10.396 -9.113 1.00 0.00 O ATOM 985 CB VAL A 62 -0.107 8.375 -6.963 1.00 0.00 C ATOM 986 CG1 VAL A 62 -0.527 7.032 -6.374 1.00 0.00 C ATOM 987 CG2 VAL A 62 1.215 8.816 -6.327 1.00 0.00 C ATOM 0 H VAL A 62 2.224 8.232 -8.452 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.661 7.554 -8.914 1.00 0.00 H new ATOM 0 HB VAL A 62 -0.875 9.122 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -0.663 7.133 -5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.464 6.712 -6.829 1.00 0.00 H new ATOM 0 HG13 VAL A 62 0.245 6.289 -6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 62 1.083 8.924 -5.250 1.00 0.00 H new ATOM 0 HG22 VAL A 62 1.982 8.067 -6.525 1.00 0.00 H new ATOM 0 HG23 VAL A 62 1.522 9.771 -6.752 1.00 0.00 H new ATOM 997 N THR A 63 -1.240 9.837 -9.648 1.00 0.00 N ATOM 998 CA THR A 63 -1.491 11.141 -10.288 1.00 0.00 C ATOM 999 C THR A 63 -2.011 12.113 -9.248 1.00 0.00 C ATOM 1000 O THR A 63 -1.957 13.313 -9.425 1.00 0.00 O ATOM 1001 CB THR A 63 -2.562 10.955 -11.370 1.00 0.00 C ATOM 1002 OG1 THR A 63 -3.101 9.668 -11.147 1.00 0.00 O ATOM 1003 CG2 THR A 63 -1.924 10.872 -12.764 1.00 0.00 C ATOM 0 H THR A 63 -2.024 9.184 -9.663 1.00 0.00 H new ATOM 0 HA THR A 63 -0.570 11.526 -10.726 1.00 0.00 H new ATOM 0 HB THR A 63 -3.276 11.777 -11.326 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.799 9.486 -11.810 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.704 10.740 -13.514 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.376 11.792 -12.969 1.00 0.00 H new ATOM 0 HG23 THR A 63 -1.239 10.025 -12.801 1.00 0.00 H new ATOM 1011 N GLN A 64 -2.511 11.563 -8.173 1.00 0.00 N ATOM 1012 CA GLN A 64 -3.045 12.418 -7.089 1.00 0.00 C ATOM 1013 C GLN A 64 -2.760 11.768 -5.716 1.00 0.00 C ATOM 1014 O GLN A 64 -2.915 10.574 -5.558 1.00 0.00 O ATOM 1015 CB GLN A 64 -4.567 12.538 -7.278 1.00 0.00 C ATOM 1016 CG GLN A 64 -4.858 13.056 -8.690 1.00 0.00 C ATOM 1017 CD GLN A 64 -6.350 13.369 -8.816 1.00 0.00 C ATOM 1018 OE1 GLN A 64 -7.140 13.097 -7.815 1.00 0.00 O flip ATOM 1019 NE2 GLN A 64 -6.809 13.865 -9.826 1.00 0.00 N flip ATOM 0 H GLN A 64 -2.570 10.559 -8.005 1.00 0.00 H new ATOM 0 HA GLN A 64 -2.571 13.399 -7.124 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.042 11.569 -7.128 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.986 13.217 -6.535 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -4.269 13.951 -8.890 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -4.567 12.311 -9.430 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.196 14.080 -10.612 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.807 14.066 -9.887 1.00 0.00 H new ATOM 1028 N PRO A 65 -2.341 12.570 -4.743 1.00 0.00 N ATOM 1029 CA PRO A 65 -2.042 12.052 -3.406 1.00 0.00 C ATOM 1030 C PRO A 65 -3.263 11.399 -2.779 1.00 0.00 C ATOM 1031 O PRO A 65 -4.374 11.609 -3.224 1.00 0.00 O ATOM 1032 CB PRO A 65 -1.650 13.290 -2.579 1.00 0.00 C ATOM 1033 CG PRO A 65 -1.775 14.535 -3.510 1.00 0.00 C ATOM 1034 CD PRO A 65 -2.156 14.021 -4.907 1.00 0.00 C ATOM 0 HA PRO A 65 -1.259 11.295 -3.444 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -2.302 13.393 -1.711 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.631 13.193 -2.203 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -2.532 15.223 -3.133 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -0.835 15.085 -3.546 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -3.068 14.497 -5.267 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.374 14.239 -5.634 1.00 0.00 H new ATOM 1042 N LEU A 66 -3.045 10.615 -1.752 1.00 0.00 N ATOM 1043 CA LEU A 66 -4.203 9.956 -1.103 1.00 0.00 C ATOM 1044 C LEU A 66 -4.758 10.852 -0.008 1.00 0.00 C ATOM 1045 O LEU A 66 -4.158 11.853 0.335 1.00 0.00 O ATOM 1046 CB LEU A 66 -3.738 8.629 -0.482 1.00 0.00 C ATOM 1047 CG LEU A 66 -2.951 7.814 -1.521 1.00 0.00 C ATOM 1048 CD1 LEU A 66 -3.019 6.333 -1.144 1.00 0.00 C ATOM 1049 CD2 LEU A 66 -3.568 7.999 -2.917 1.00 0.00 C ATOM 0 H LEU A 66 -2.132 10.410 -1.347 1.00 0.00 H new ATOM 0 HA LEU A 66 -4.980 9.771 -1.845 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -3.113 8.824 0.389 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -4.599 8.058 -0.135 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.917 8.157 -1.536 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.464 5.746 -1.875 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -2.583 6.189 -0.156 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -4.059 6.008 -1.132 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -3.002 7.417 -3.645 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.603 7.658 -2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.536 9.053 -3.192 1.00 0.00 H new ATOM 1061 N ASP A 67 -5.896 10.492 0.520 1.00 0.00 N ATOM 1062 CA ASP A 67 -6.488 11.329 1.595 1.00 0.00 C ATOM 1063 C ASP A 67 -7.278 10.491 2.589 1.00 0.00 C ATOM 1064 O ASP A 67 -8.344 10.000 2.282 1.00 0.00 O ATOM 1065 CB ASP A 67 -7.439 12.344 0.946 1.00 0.00 C ATOM 1066 CG ASP A 67 -7.945 13.311 2.017 1.00 0.00 C ATOM 1067 OD1 ASP A 67 -7.839 12.938 3.174 1.00 0.00 O ATOM 1068 OD2 ASP A 67 -8.411 14.365 1.617 1.00 0.00 O ATOM 0 H ASP A 67 -6.433 9.666 0.257 1.00 0.00 H new ATOM 0 HA ASP A 67 -5.680 11.824 2.133 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.923 12.892 0.158 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -8.278 11.828 0.479 1.00 0.00 H new ATOM 1073 N ARG A 68 -6.742 10.350 3.772 1.00 0.00 N ATOM 1074 CA ARG A 68 -7.447 9.549 4.799 1.00 0.00 C ATOM 1075 C ARG A 68 -8.857 10.083 5.015 1.00 0.00 C ATOM 1076 O ARG A 68 -9.782 9.326 5.237 1.00 0.00 O ATOM 1077 CB ARG A 68 -6.669 9.661 6.122 1.00 0.00 C ATOM 1078 CG ARG A 68 -5.433 8.760 6.063 1.00 0.00 C ATOM 1079 CD ARG A 68 -5.098 8.278 7.475 1.00 0.00 C ATOM 1080 NE ARG A 68 -5.418 9.361 8.447 1.00 0.00 N ATOM 1081 CZ ARG A 68 -6.360 9.173 9.332 1.00 0.00 C ATOM 1082 NH1 ARG A 68 -6.301 8.119 10.100 1.00 0.00 N ATOM 1083 NH2 ARG A 68 -7.329 10.042 9.415 1.00 0.00 N ATOM 0 H ARG A 68 -5.852 10.754 4.065 1.00 0.00 H new ATOM 0 HA ARG A 68 -7.507 8.512 4.468 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -6.371 10.695 6.295 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.306 9.369 6.957 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -5.619 7.908 5.409 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.589 9.306 5.642 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.668 7.380 7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.043 8.012 7.542 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.905 10.242 8.421 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.529 7.460 10.003 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.027 7.955 10.797 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.342 10.852 8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.073 9.912 10.100 1.00 0.00 H new ATOM 1097 N GLU A 69 -8.997 11.382 4.946 1.00 0.00 N ATOM 1098 CA GLU A 69 -10.341 11.977 5.145 1.00 0.00 C ATOM 1099 C GLU A 69 -11.360 11.268 4.277 1.00 0.00 C ATOM 1100 O GLU A 69 -12.528 11.198 4.613 1.00 0.00 O ATOM 1101 CB GLU A 69 -10.288 13.458 4.732 1.00 0.00 C ATOM 1102 CG GLU A 69 -9.319 14.205 5.651 1.00 0.00 C ATOM 1103 CD GLU A 69 -10.022 14.530 6.971 1.00 0.00 C ATOM 1104 OE1 GLU A 69 -10.930 15.344 6.915 1.00 0.00 O ATOM 1105 OE2 GLU A 69 -9.611 13.947 7.961 1.00 0.00 O ATOM 0 H GLU A 69 -8.245 12.046 4.762 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.628 11.877 6.192 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.965 13.547 3.695 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -11.282 13.901 4.795 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -8.434 13.596 5.837 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.979 15.123 5.171 1.00 0.00 H new ATOM 1112 N ALA A 70 -10.896 10.751 3.169 1.00 0.00 N ATOM 1113 CA ALA A 70 -11.809 10.035 2.247 1.00 0.00 C ATOM 1114 C ALA A 70 -11.629 8.531 2.377 1.00 0.00 C ATOM 1115 O ALA A 70 -12.584 7.801 2.555 1.00 0.00 O ATOM 1116 CB ALA A 70 -11.462 10.451 0.810 1.00 0.00 C ATOM 0 H ALA A 70 -9.923 10.797 2.868 1.00 0.00 H new ATOM 0 HA ALA A 70 -12.841 10.288 2.492 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -12.122 9.936 0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -11.590 11.528 0.702 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.427 10.185 0.594 1.00 0.00 H new ATOM 1122 N ILE A 71 -10.403 8.091 2.286 1.00 0.00 N ATOM 1123 CA ILE A 71 -10.143 6.637 2.402 1.00 0.00 C ATOM 1124 C ILE A 71 -8.763 6.376 2.991 1.00 0.00 C ATOM 1125 O ILE A 71 -7.792 6.989 2.594 1.00 0.00 O ATOM 1126 CB ILE A 71 -10.201 6.028 1.001 1.00 0.00 C ATOM 1127 CG1 ILE A 71 -11.623 6.099 0.465 1.00 0.00 C ATOM 1128 CG2 ILE A 71 -9.783 4.551 1.092 1.00 0.00 C ATOM 1129 CD1 ILE A 71 -11.673 5.435 -0.913 1.00 0.00 C ATOM 0 H ILE A 71 -9.579 8.674 2.137 1.00 0.00 H new ATOM 0 HA ILE A 71 -10.891 6.193 3.059 1.00 0.00 H new ATOM 0 HB ILE A 71 -9.535 6.578 0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -12.308 5.598 1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -11.947 7.137 0.394 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -9.819 4.101 0.100 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -8.768 4.484 1.485 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -10.465 4.020 1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -12.690 5.482 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -10.999 5.956 -1.593 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -11.366 4.393 -0.826 1.00 0.00 H new ATOM 1141 N ALA A 72 -8.702 5.470 3.931 1.00 0.00 N ATOM 1142 CA ALA A 72 -7.395 5.153 4.560 1.00 0.00 C ATOM 1143 C ALA A 72 -6.772 3.924 3.909 1.00 0.00 C ATOM 1144 O ALA A 72 -5.654 3.558 4.210 1.00 0.00 O ATOM 1145 CB ALA A 72 -7.633 4.856 6.048 1.00 0.00 C ATOM 0 H ALA A 72 -9.498 4.941 4.286 1.00 0.00 H new ATOM 0 HA ALA A 72 -6.720 6.000 4.433 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -6.683 4.620 6.528 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -8.075 5.729 6.527 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -8.310 4.007 6.146 1.00 0.00 H new ATOM 1151 N LYS A 73 -7.510 3.309 3.024 1.00 0.00 N ATOM 1152 CA LYS A 73 -6.983 2.103 2.341 1.00 0.00 C ATOM 1153 C LYS A 73 -7.650 1.923 0.982 1.00 0.00 C ATOM 1154 O LYS A 73 -8.856 1.803 0.891 1.00 0.00 O ATOM 1155 CB LYS A 73 -7.290 0.880 3.216 1.00 0.00 C ATOM 1156 CG LYS A 73 -7.168 -0.387 2.369 1.00 0.00 C ATOM 1157 CD LYS A 73 -7.239 -1.609 3.286 1.00 0.00 C ATOM 1158 CE LYS A 73 -5.999 -1.638 4.181 1.00 0.00 C ATOM 1159 NZ LYS A 73 -6.264 -0.924 5.461 1.00 0.00 N ATOM 0 H LYS A 73 -8.451 3.592 2.748 1.00 0.00 H new ATOM 0 HA LYS A 73 -5.909 2.213 2.190 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -6.599 0.837 4.058 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.294 0.958 3.632 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -7.968 -0.424 1.630 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.227 -0.383 1.819 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.142 -1.569 3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -7.295 -2.521 2.692 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -5.715 -2.670 4.385 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -5.159 -1.172 3.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.623 -0.109 5.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.249 -0.592 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -6.105 -1.572 6.259 1.00 0.00 H new ATOM 1173 N TYR A 74 -6.846 1.903 -0.053 1.00 0.00 N ATOM 1174 CA TYR A 74 -7.408 1.733 -1.420 1.00 0.00 C ATOM 1175 C TYR A 74 -7.270 0.291 -1.910 1.00 0.00 C ATOM 1176 O TYR A 74 -6.230 -0.325 -1.758 1.00 0.00 O ATOM 1177 CB TYR A 74 -6.624 2.650 -2.374 1.00 0.00 C ATOM 1178 CG TYR A 74 -6.929 4.113 -2.041 1.00 0.00 C ATOM 1179 CD1 TYR A 74 -6.577 4.641 -0.814 1.00 0.00 C ATOM 1180 CD2 TYR A 74 -7.558 4.928 -2.963 1.00 0.00 C ATOM 1181 CE1 TYR A 74 -6.847 5.960 -0.514 1.00 0.00 C ATOM 1182 CE2 TYR A 74 -7.827 6.248 -2.663 1.00 0.00 C ATOM 1183 CZ TYR A 74 -7.473 6.774 -1.436 1.00 0.00 C ATOM 1184 OH TYR A 74 -7.740 8.094 -1.137 1.00 0.00 O ATOM 0 H TYR A 74 -5.831 1.997 -0.007 1.00 0.00 H new ATOM 0 HA TYR A 74 -8.468 1.985 -1.396 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.555 2.460 -2.281 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.897 2.436 -3.407 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -6.086 4.016 -0.083 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -7.841 4.529 -3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.566 6.359 0.450 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.318 6.874 -3.393 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.183 8.519 -1.901 1.00 0.00 H new ATOM 1194 N ILE A 75 -8.335 -0.213 -2.490 1.00 0.00 N ATOM 1195 CA ILE A 75 -8.312 -1.610 -3.008 1.00 0.00 C ATOM 1196 C ILE A 75 -8.224 -1.597 -4.530 1.00 0.00 C ATOM 1197 O ILE A 75 -9.174 -1.241 -5.200 1.00 0.00 O ATOM 1198 CB ILE A 75 -9.620 -2.297 -2.597 1.00 0.00 C ATOM 1199 CG1 ILE A 75 -9.773 -2.262 -1.081 1.00 0.00 C ATOM 1200 CG2 ILE A 75 -9.570 -3.764 -3.057 1.00 0.00 C ATOM 1201 CD1 ILE A 75 -8.935 -3.384 -0.454 1.00 0.00 C ATOM 0 H ILE A 75 -9.215 0.285 -2.625 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.450 -2.139 -2.601 1.00 0.00 H new ATOM 0 HB ILE A 75 -10.462 -1.779 -3.056 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.451 -1.295 -0.695 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -10.822 -2.381 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -10.494 -4.266 -2.772 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -9.456 -3.802 -4.140 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.724 -4.265 -2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -9.045 -3.358 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -9.278 -4.348 -0.831 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.886 -3.244 -0.716 1.00 0.00 H new ATOM 1213 N LEU A 76 -7.083 -1.989 -5.048 1.00 0.00 N ATOM 1214 CA LEU A 76 -6.909 -2.006 -6.532 1.00 0.00 C ATOM 1215 C LEU A 76 -6.843 -3.428 -7.076 1.00 0.00 C ATOM 1216 O LEU A 76 -6.644 -4.368 -6.337 1.00 0.00 O ATOM 1217 CB LEU A 76 -5.572 -1.310 -6.865 1.00 0.00 C ATOM 1218 CG LEU A 76 -5.764 0.212 -6.900 1.00 0.00 C ATOM 1219 CD1 LEU A 76 -6.827 0.571 -7.944 1.00 0.00 C ATOM 1220 CD2 LEU A 76 -6.210 0.702 -5.521 1.00 0.00 C ATOM 0 H LEU A 76 -6.272 -2.295 -4.510 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.762 -1.500 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.821 -1.573 -6.120 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.201 -1.660 -7.828 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.822 0.691 -7.166 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.963 1.652 -7.968 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.505 0.224 -8.926 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -7.771 0.093 -7.682 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.346 1.783 -5.546 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -7.152 0.223 -5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.450 0.449 -4.782 1.00 0.00 H new ATOM 1232 N TYR A 77 -7.025 -3.545 -8.373 1.00 0.00 N ATOM 1233 CA TYR A 77 -6.980 -4.885 -9.024 1.00 0.00 C ATOM 1234 C TYR A 77 -5.913 -4.866 -10.110 1.00 0.00 C ATOM 1235 O TYR A 77 -5.912 -3.987 -10.951 1.00 0.00 O ATOM 1236 CB TYR A 77 -8.352 -5.169 -9.655 1.00 0.00 C ATOM 1237 CG TYR A 77 -9.354 -5.487 -8.540 1.00 0.00 C ATOM 1238 CD1 TYR A 77 -9.975 -4.469 -7.844 1.00 0.00 C ATOM 1239 CD2 TYR A 77 -9.639 -6.795 -8.208 1.00 0.00 C ATOM 1240 CE1 TYR A 77 -10.867 -4.756 -6.830 1.00 0.00 C ATOM 1241 CE2 TYR A 77 -10.531 -7.082 -7.195 1.00 0.00 C ATOM 1242 CZ TYR A 77 -11.152 -6.065 -6.497 1.00 0.00 C ATOM 1243 OH TYR A 77 -12.040 -6.353 -5.481 1.00 0.00 O ATOM 0 H TYR A 77 -7.203 -2.765 -9.005 1.00 0.00 H new ATOM 0 HA TYR A 77 -6.744 -5.658 -8.293 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -8.689 -4.306 -10.230 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.282 -6.007 -10.349 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.761 -3.440 -8.095 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -9.160 -7.601 -8.745 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -11.345 -3.950 -6.293 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -10.745 -8.111 -6.946 1.00 0.00 H new ATOM 0 HH TYR A 77 -12.122 -7.325 -5.384 1.00 0.00 H new ATOM 1253 N SER A 78 -5.026 -5.838 -10.080 1.00 0.00 N ATOM 1254 CA SER A 78 -3.946 -5.877 -11.111 1.00 0.00 C ATOM 1255 C SER A 78 -4.103 -7.023 -12.101 1.00 0.00 C ATOM 1256 O SER A 78 -4.735 -8.033 -11.825 1.00 0.00 O ATOM 1257 CB SER A 78 -2.606 -6.055 -10.385 1.00 0.00 C ATOM 1258 OG SER A 78 -2.585 -7.429 -10.029 1.00 0.00 O ATOM 0 H SER A 78 -5.006 -6.593 -9.395 1.00 0.00 H new ATOM 0 HA SER A 78 -3.998 -4.947 -11.677 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.766 -5.797 -11.030 1.00 0.00 H new ATOM 0 HB3 SER A 78 -2.541 -5.414 -9.506 1.00 0.00 H new ATOM 0 HG SER A 78 -1.751 -7.632 -9.556 1.00 0.00 H new ATOM 1264 N HIS A 79 -3.505 -6.820 -13.247 1.00 0.00 N ATOM 1265 CA HIS A 79 -3.548 -7.824 -14.328 1.00 0.00 C ATOM 1266 C HIS A 79 -2.172 -7.870 -15.008 1.00 0.00 C ATOM 1267 O HIS A 79 -1.496 -6.859 -15.089 1.00 0.00 O ATOM 1268 CB HIS A 79 -4.613 -7.388 -15.354 1.00 0.00 C ATOM 1269 CG HIS A 79 -5.885 -6.968 -14.612 1.00 0.00 C ATOM 1270 ND1 HIS A 79 -6.959 -7.610 -14.609 1.00 0.00 N ATOM 1271 CD2 HIS A 79 -6.120 -5.854 -13.831 1.00 0.00 C ATOM 1272 CE1 HIS A 79 -7.845 -7.028 -13.914 1.00 0.00 C ATOM 1273 NE2 HIS A 79 -7.404 -5.891 -13.375 1.00 0.00 N ATOM 0 H HIS A 79 -2.978 -5.977 -13.474 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.795 -8.809 -13.931 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -4.238 -6.560 -15.955 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -4.831 -8.207 -16.040 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -7.103 -8.490 -15.103 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -5.401 -5.077 -13.616 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -8.845 -7.410 -13.774 1.00 0.00 H new ATOM 1281 N ALA A 80 -1.783 -9.032 -15.479 1.00 0.00 N ATOM 1282 CA ALA A 80 -0.445 -9.153 -16.154 1.00 0.00 C ATOM 1283 C ALA A 80 -0.556 -9.465 -17.650 1.00 0.00 C ATOM 1284 O ALA A 80 -1.428 -10.202 -18.084 1.00 0.00 O ATOM 1285 CB ALA A 80 0.330 -10.298 -15.480 1.00 0.00 C ATOM 0 H ALA A 80 -2.325 -9.894 -15.428 1.00 0.00 H new ATOM 0 HA ALA A 80 0.062 -8.193 -16.055 1.00 0.00 H new ATOM 0 HB1 ALA A 80 1.306 -10.405 -15.954 1.00 0.00 H new ATOM 0 HB2 ALA A 80 0.463 -10.074 -14.422 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.229 -11.228 -15.586 1.00 0.00 H new ATOM 1291 N VAL A 81 0.344 -8.885 -18.413 1.00 0.00 N ATOM 1292 CA VAL A 81 0.337 -9.120 -19.889 1.00 0.00 C ATOM 1293 C VAL A 81 1.769 -9.278 -20.386 1.00 0.00 C ATOM 1294 O VAL A 81 2.625 -8.534 -20.006 1.00 0.00 O ATOM 1295 CB VAL A 81 -0.301 -7.908 -20.588 1.00 0.00 C ATOM 1296 CG1 VAL A 81 -1.802 -8.154 -20.760 1.00 0.00 C ATOM 1297 CG2 VAL A 81 -0.087 -6.658 -19.733 1.00 0.00 C ATOM 0 H VAL A 81 1.078 -8.262 -18.076 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.231 -10.023 -20.111 1.00 0.00 H new ATOM 0 HB VAL A 81 0.161 -7.765 -21.565 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.257 -7.296 -21.255 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.957 -9.047 -21.365 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -2.262 -8.294 -19.782 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.539 -5.798 -20.227 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.551 -6.801 -18.757 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.981 -6.483 -19.605 1.00 0.00 H new ATOM 1307 N SER A 82 2.006 -10.241 -21.229 1.00 0.00 N ATOM 1308 CA SER A 82 3.394 -10.422 -21.731 1.00 0.00 C ATOM 1309 C SER A 82 3.841 -9.226 -22.570 1.00 0.00 C ATOM 1310 O SER A 82 3.092 -8.706 -23.374 1.00 0.00 O ATOM 1311 CB SER A 82 3.449 -11.683 -22.587 1.00 0.00 C ATOM 1312 OG SER A 82 2.771 -11.318 -23.773 1.00 0.00 O ATOM 0 H SER A 82 1.314 -10.899 -21.587 1.00 0.00 H new ATOM 0 HA SER A 82 4.064 -10.508 -20.875 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.477 -11.983 -22.791 1.00 0.00 H new ATOM 0 HB3 SER A 82 2.963 -12.524 -22.092 1.00 0.00 H new ATOM 0 HG SER A 82 3.001 -11.947 -24.488 1.00 0.00 H new ATOM 1318 N SER A 83 5.069 -8.829 -22.372 1.00 0.00 N ATOM 1319 CA SER A 83 5.613 -7.671 -23.131 1.00 0.00 C ATOM 1320 C SER A 83 5.528 -7.858 -24.649 1.00 0.00 C ATOM 1321 O SER A 83 6.004 -7.018 -25.389 1.00 0.00 O ATOM 1322 CB SER A 83 7.091 -7.507 -22.745 1.00 0.00 C ATOM 1323 OG SER A 83 7.757 -8.529 -23.471 1.00 0.00 O ATOM 0 H SER A 83 5.719 -9.259 -21.715 1.00 0.00 H new ATOM 0 HA SER A 83 5.016 -6.795 -22.878 1.00 0.00 H new ATOM 0 HB2 SER A 83 7.465 -6.519 -23.014 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.237 -7.622 -21.671 1.00 0.00 H new ATOM 0 HG SER A 83 8.726 -8.396 -23.409 1.00 0.00 H new ATOM 1329 N ASN A 84 4.929 -8.944 -25.091 1.00 0.00 N ATOM 1330 CA ASN A 84 4.822 -9.170 -26.570 1.00 0.00 C ATOM 1331 C ASN A 84 3.396 -8.937 -27.061 1.00 0.00 C ATOM 1332 O ASN A 84 3.179 -8.727 -28.239 1.00 0.00 O ATOM 1333 CB ASN A 84 5.233 -10.617 -26.892 1.00 0.00 C ATOM 1334 CG ASN A 84 4.641 -11.566 -25.859 1.00 0.00 C ATOM 1335 OD1 ASN A 84 3.376 -11.858 -25.925 1.00 0.00 O flip ATOM 1336 ND2 ASN A 84 5.328 -12.056 -24.986 1.00 0.00 N flip ATOM 0 H ASN A 84 4.518 -9.669 -24.504 1.00 0.00 H new ATOM 0 HA ASN A 84 5.482 -8.464 -27.074 1.00 0.00 H new ATOM 0 HB2 ASN A 84 4.887 -10.889 -27.889 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.320 -10.703 -26.897 1.00 0.00 H new ATOM 0 HD21 ASN A 84 6.321 -11.829 -24.931 1.00 0.00 H new ATOM 0 HD22 ASN A 84 4.912 -12.694 -24.308 1.00 0.00 H new ATOM 1343 N GLY A 85 2.450 -8.981 -26.147 1.00 0.00 N ATOM 1344 CA GLY A 85 1.020 -8.760 -26.547 1.00 0.00 C ATOM 1345 C GLY A 85 0.149 -9.970 -26.194 1.00 0.00 C ATOM 1346 O GLY A 85 -0.990 -10.049 -26.614 1.00 0.00 O ATOM 0 H GLY A 85 2.604 -9.158 -25.154 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.633 -7.873 -26.046 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.965 -8.570 -27.619 1.00 0.00 H new ATOM 1350 N GLU A 86 0.693 -10.887 -25.429 1.00 0.00 N ATOM 1351 CA GLU A 86 -0.105 -12.089 -25.049 1.00 0.00 C ATOM 1352 C GLU A 86 -0.678 -11.924 -23.651 1.00 0.00 C ATOM 1353 O GLU A 86 0.014 -11.539 -22.731 1.00 0.00 O ATOM 1354 CB GLU A 86 0.809 -13.326 -25.077 1.00 0.00 C ATOM 1355 CG GLU A 86 1.235 -13.602 -26.523 1.00 0.00 C ATOM 1356 CD GLU A 86 0.039 -14.146 -27.307 1.00 0.00 C ATOM 1357 OE1 GLU A 86 -0.617 -15.016 -26.757 1.00 0.00 O ATOM 1358 OE2 GLU A 86 -0.152 -13.661 -28.409 1.00 0.00 O ATOM 0 H GLU A 86 1.642 -10.854 -25.057 1.00 0.00 H new ATOM 0 HA GLU A 86 -0.926 -12.209 -25.756 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.686 -13.160 -24.452 1.00 0.00 H new ATOM 0 HB3 GLU A 86 0.285 -14.190 -24.668 1.00 0.00 H new ATOM 0 HG2 GLU A 86 1.603 -12.687 -26.987 1.00 0.00 H new ATOM 0 HG3 GLU A 86 2.054 -14.321 -26.542 1.00 0.00 H new ATOM 1365 N ALA A 87 -1.941 -12.219 -23.520 1.00 0.00 N ATOM 1366 CA ALA A 87 -2.592 -12.087 -22.196 1.00 0.00 C ATOM 1367 C ALA A 87 -2.107 -13.145 -21.206 1.00 0.00 C ATOM 1368 O ALA A 87 -2.179 -14.331 -21.465 1.00 0.00 O ATOM 1369 CB ALA A 87 -4.104 -12.252 -22.391 1.00 0.00 C ATOM 0 H ALA A 87 -2.546 -12.545 -24.274 1.00 0.00 H new ATOM 0 HA ALA A 87 -2.340 -11.109 -21.786 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -4.607 -12.159 -21.429 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -4.470 -11.480 -23.068 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.311 -13.235 -22.815 1.00 0.00 H new ATOM 1375 N VAL A 88 -1.620 -12.680 -20.088 1.00 0.00 N ATOM 1376 CA VAL A 88 -1.116 -13.601 -19.039 1.00 0.00 C ATOM 1377 C VAL A 88 -1.534 -13.033 -17.688 1.00 0.00 C ATOM 1378 O VAL A 88 -0.942 -13.293 -16.664 1.00 0.00 O ATOM 1379 CB VAL A 88 0.434 -13.653 -19.158 1.00 0.00 C ATOM 1380 CG1 VAL A 88 0.970 -12.234 -19.274 1.00 0.00 C ATOM 1381 CG2 VAL A 88 1.055 -14.323 -17.929 1.00 0.00 C ATOM 0 H VAL A 88 -1.551 -11.689 -19.857 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.518 -14.609 -19.147 1.00 0.00 H new ATOM 0 HB VAL A 88 0.697 -14.235 -20.042 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.056 -12.261 -19.358 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.549 -11.757 -20.160 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.689 -11.665 -18.388 1.00 0.00 H new ATOM 0 HG21 VAL A 88 2.139 -14.347 -18.037 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.792 -13.758 -17.035 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.677 -15.341 -17.840 1.00 0.00 H new ATOM 1391 N GLU A 89 -2.586 -12.273 -17.729 1.00 0.00 N ATOM 1392 CA GLU A 89 -3.098 -11.651 -16.496 1.00 0.00 C ATOM 1393 C GLU A 89 -3.918 -12.596 -15.636 1.00 0.00 C ATOM 1394 O GLU A 89 -4.552 -13.512 -16.121 1.00 0.00 O ATOM 1395 CB GLU A 89 -3.988 -10.478 -16.909 1.00 0.00 C ATOM 1396 CG GLU A 89 -4.536 -10.735 -18.313 1.00 0.00 C ATOM 1397 CD GLU A 89 -5.875 -10.016 -18.472 1.00 0.00 C ATOM 1398 OE1 GLU A 89 -6.747 -10.317 -17.676 1.00 0.00 O ATOM 1399 OE2 GLU A 89 -5.949 -9.205 -19.381 1.00 0.00 O ATOM 0 H GLU A 89 -3.114 -12.057 -18.574 1.00 0.00 H new ATOM 0 HA GLU A 89 -2.241 -11.344 -15.897 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -4.808 -10.361 -16.201 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -3.418 -9.549 -16.892 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -3.829 -10.380 -19.063 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -4.663 -11.805 -18.476 1.00 0.00 H new ATOM 1406 N ASP A 90 -3.873 -12.334 -14.356 1.00 0.00 N ATOM 1407 CA ASP A 90 -4.620 -13.161 -13.391 1.00 0.00 C ATOM 1408 C ASP A 90 -5.278 -12.236 -12.350 1.00 0.00 C ATOM 1409 O ASP A 90 -4.650 -11.318 -11.861 1.00 0.00 O ATOM 1410 CB ASP A 90 -3.627 -14.092 -12.674 1.00 0.00 C ATOM 1411 CG ASP A 90 -3.228 -15.229 -13.616 1.00 0.00 C ATOM 1412 OD1 ASP A 90 -4.143 -15.829 -14.158 1.00 0.00 O ATOM 1413 OD2 ASP A 90 -2.032 -15.435 -13.741 1.00 0.00 O ATOM 0 H ASP A 90 -3.340 -11.569 -13.942 1.00 0.00 H new ATOM 0 HA ASP A 90 -5.383 -13.747 -13.904 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.744 -13.532 -12.367 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -4.079 -14.497 -11.769 1.00 0.00 H new ATOM 1418 N PRO A 91 -6.533 -12.491 -12.023 1.00 0.00 N ATOM 1419 CA PRO A 91 -7.242 -11.667 -11.047 1.00 0.00 C ATOM 1420 C PRO A 91 -6.462 -11.544 -9.738 1.00 0.00 C ATOM 1421 O PRO A 91 -6.430 -12.470 -8.950 1.00 0.00 O ATOM 1422 CB PRO A 91 -8.576 -12.407 -10.800 1.00 0.00 C ATOM 1423 CG PRO A 91 -8.614 -13.630 -11.770 1.00 0.00 C ATOM 1424 CD PRO A 91 -7.299 -13.619 -12.568 1.00 0.00 C ATOM 0 HA PRO A 91 -7.382 -10.650 -11.415 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -8.647 -12.736 -9.763 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -9.422 -11.745 -10.983 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -8.718 -14.561 -11.212 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.471 -13.563 -12.440 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -6.758 -14.558 -12.450 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -7.485 -13.491 -13.634 1.00 0.00 H new ATOM 1432 N MET A 92 -5.840 -10.394 -9.535 1.00 0.00 N ATOM 1433 CA MET A 92 -5.053 -10.186 -8.283 1.00 0.00 C ATOM 1434 C MET A 92 -5.489 -8.906 -7.577 1.00 0.00 C ATOM 1435 O MET A 92 -5.340 -7.824 -8.104 1.00 0.00 O ATOM 1436 CB MET A 92 -3.569 -10.062 -8.660 1.00 0.00 C ATOM 1437 CG MET A 92 -2.856 -11.374 -8.327 1.00 0.00 C ATOM 1438 SD MET A 92 -3.094 -12.051 -6.665 1.00 0.00 S ATOM 1439 CE MET A 92 -3.499 -13.744 -7.164 1.00 0.00 C ATOM 0 H MET A 92 -5.848 -9.604 -10.180 1.00 0.00 H new ATOM 0 HA MET A 92 -5.219 -11.029 -7.612 1.00 0.00 H new ATOM 0 HB2 MET A 92 -3.468 -9.839 -9.722 1.00 0.00 H new ATOM 0 HB3 MET A 92 -3.111 -9.236 -8.116 1.00 0.00 H new ATOM 0 HG2 MET A 92 -3.180 -12.126 -9.047 1.00 0.00 H new ATOM 0 HG3 MET A 92 -1.787 -11.225 -8.481 1.00 0.00 H new ATOM 0 HE1 MET A 92 -3.687 -14.349 -6.277 1.00 0.00 H new ATOM 0 HE2 MET A 92 -4.389 -13.735 -7.793 1.00 0.00 H new ATOM 0 HE3 MET A 92 -2.665 -14.168 -7.722 1.00 0.00 H new ATOM 1449 N GLU A 93 -6.018 -9.055 -6.392 1.00 0.00 N ATOM 1450 CA GLU A 93 -6.469 -7.858 -5.638 1.00 0.00 C ATOM 1451 C GLU A 93 -5.323 -7.257 -4.828 1.00 0.00 C ATOM 1452 O GLU A 93 -4.822 -7.868 -3.904 1.00 0.00 O ATOM 1453 CB GLU A 93 -7.591 -8.287 -4.676 1.00 0.00 C ATOM 1454 CG GLU A 93 -7.821 -9.794 -4.813 1.00 0.00 C ATOM 1455 CD GLU A 93 -9.008 -10.205 -3.941 1.00 0.00 C ATOM 1456 OE1 GLU A 93 -9.000 -9.802 -2.790 1.00 0.00 O ATOM 1457 OE2 GLU A 93 -9.857 -10.901 -4.474 1.00 0.00 O ATOM 0 H GLU A 93 -6.155 -9.948 -5.919 1.00 0.00 H new ATOM 0 HA GLU A 93 -6.823 -7.106 -6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -7.321 -8.040 -3.649 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.509 -7.745 -4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.014 -10.051 -5.855 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -6.927 -10.339 -4.511 1.00 0.00 H new ATOM 1464 N ILE A 94 -4.931 -6.065 -5.191 1.00 0.00 N ATOM 1465 CA ILE A 94 -3.823 -5.399 -4.463 1.00 0.00 C ATOM 1466 C ILE A 94 -4.365 -4.471 -3.374 1.00 0.00 C ATOM 1467 O ILE A 94 -5.193 -3.613 -3.638 1.00 0.00 O ATOM 1468 CB ILE A 94 -3.022 -4.568 -5.475 1.00 0.00 C ATOM 1469 CG1 ILE A 94 -1.940 -5.432 -6.099 1.00 0.00 C ATOM 1470 CG2 ILE A 94 -2.345 -3.392 -4.745 1.00 0.00 C ATOM 1471 CD1 ILE A 94 -1.262 -4.649 -7.224 1.00 0.00 C ATOM 0 H ILE A 94 -5.332 -5.528 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.197 -6.155 -3.989 1.00 0.00 H new ATOM 0 HB ILE A 94 -3.696 -4.197 -6.247 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -1.207 -5.719 -5.345 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -2.373 -6.353 -6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -1.775 -2.799 -5.460 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -3.106 -2.766 -4.280 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -1.674 -3.778 -3.977 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -0.484 -5.263 -7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -2.001 -4.384 -7.980 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -0.817 -3.741 -6.818 1.00 0.00 H new ATOM 1483 N VAL A 95 -3.883 -4.663 -2.170 1.00 0.00 N ATOM 1484 CA VAL A 95 -4.347 -3.811 -1.043 1.00 0.00 C ATOM 1485 C VAL A 95 -3.332 -2.718 -0.753 1.00 0.00 C ATOM 1486 O VAL A 95 -2.190 -3.003 -0.451 1.00 0.00 O ATOM 1487 CB VAL A 95 -4.489 -4.693 0.206 1.00 0.00 C ATOM 1488 CG1 VAL A 95 -5.183 -3.893 1.310 1.00 0.00 C ATOM 1489 CG2 VAL A 95 -5.336 -5.919 -0.137 1.00 0.00 C ATOM 0 H VAL A 95 -3.191 -5.371 -1.925 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.299 -3.352 -1.307 1.00 0.00 H new ATOM 0 HB VAL A 95 -3.504 -5.011 0.546 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -5.287 -4.514 2.199 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.588 -3.012 1.550 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -6.170 -3.582 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -5.440 -6.548 0.747 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -6.322 -5.598 -0.471 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -4.850 -6.486 -0.931 1.00 0.00 H new ATOM 1499 N ILE A 96 -3.769 -1.485 -0.849 1.00 0.00 N ATOM 1500 CA ILE A 96 -2.845 -0.347 -0.585 1.00 0.00 C ATOM 1501 C ILE A 96 -3.298 0.461 0.621 1.00 0.00 C ATOM 1502 O ILE A 96 -4.334 1.094 0.595 1.00 0.00 O ATOM 1503 CB ILE A 96 -2.852 0.559 -1.809 1.00 0.00 C ATOM 1504 CG1 ILE A 96 -2.823 -0.291 -3.072 1.00 0.00 C ATOM 1505 CG2 ILE A 96 -1.589 1.435 -1.775 1.00 0.00 C ATOM 1506 CD1 ILE A 96 -2.907 0.623 -4.294 1.00 0.00 C ATOM 0 H ILE A 96 -4.723 -1.222 -1.098 1.00 0.00 H new ATOM 0 HA ILE A 96 -1.848 -0.738 -0.382 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.749 1.178 -1.805 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.907 -0.881 -3.107 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.656 -0.994 -3.071 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -1.578 2.091 -2.645 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.588 2.037 -0.867 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -0.704 0.798 -1.789 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.887 0.020 -5.202 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.835 1.194 -4.258 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -2.059 1.308 -4.295 1.00 0.00 H new ATOM 1518 N THR A 97 -2.509 0.425 1.661 1.00 0.00 N ATOM 1519 CA THR A 97 -2.875 1.186 2.875 1.00 0.00 C ATOM 1520 C THR A 97 -2.301 2.597 2.815 1.00 0.00 C ATOM 1521 O THR A 97 -1.251 2.821 2.229 1.00 0.00 O ATOM 1522 CB THR A 97 -2.297 0.460 4.095 1.00 0.00 C ATOM 1523 OG1 THR A 97 -2.941 1.039 5.213 1.00 0.00 O ATOM 1524 CG2 THR A 97 -0.810 0.801 4.284 1.00 0.00 C ATOM 0 H THR A 97 -1.634 -0.097 1.716 1.00 0.00 H new ATOM 0 HA THR A 97 -3.961 1.254 2.945 1.00 0.00 H new ATOM 0 HB THR A 97 -2.428 -0.616 3.980 1.00 0.00 H new ATOM 0 HG1 THR A 97 -2.615 0.615 6.034 1.00 0.00 H new ATOM 0 HG21 THR A 97 -0.424 0.273 5.156 1.00 0.00 H new ATOM 0 HG22 THR A 97 -0.252 0.497 3.399 1.00 0.00 H new ATOM 0 HG23 THR A 97 -0.699 1.875 4.431 1.00 0.00 H new ATOM 1532 N VAL A 98 -3.000 3.524 3.421 1.00 0.00 N ATOM 1533 CA VAL A 98 -2.522 4.935 3.414 1.00 0.00 C ATOM 1534 C VAL A 98 -1.960 5.346 4.770 1.00 0.00 C ATOM 1535 O VAL A 98 -2.548 5.078 5.798 1.00 0.00 O ATOM 1536 CB VAL A 98 -3.720 5.841 3.095 1.00 0.00 C ATOM 1537 CG1 VAL A 98 -3.233 7.285 2.953 1.00 0.00 C ATOM 1538 CG2 VAL A 98 -4.358 5.391 1.780 1.00 0.00 C ATOM 0 H VAL A 98 -3.877 3.363 3.917 1.00 0.00 H new ATOM 0 HA VAL A 98 -1.730 5.030 2.671 1.00 0.00 H new ATOM 0 HB VAL A 98 -4.454 5.777 3.898 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.079 7.934 2.726 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.769 7.606 3.886 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -2.503 7.345 2.146 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.209 6.032 1.550 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -3.624 5.461 0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -4.696 4.359 1.874 1.00 0.00 H new ATOM 1548 N THR A 99 -0.823 5.992 4.745 1.00 0.00 N ATOM 1549 CA THR A 99 -0.205 6.432 6.016 1.00 0.00 C ATOM 1550 C THR A 99 -0.676 7.839 6.356 1.00 0.00 C ATOM 1551 O THR A 99 -0.934 8.633 5.476 1.00 0.00 O ATOM 1552 CB THR A 99 1.318 6.444 5.843 1.00 0.00 C ATOM 1553 OG1 THR A 99 1.535 6.500 4.448 1.00 0.00 O ATOM 1554 CG2 THR A 99 1.929 5.102 6.276 1.00 0.00 C ATOM 0 H THR A 99 -0.303 6.230 3.900 1.00 0.00 H new ATOM 0 HA THR A 99 -0.491 5.751 6.818 1.00 0.00 H new ATOM 0 HB THR A 99 1.748 7.263 6.420 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.498 6.512 4.267 1.00 0.00 H new ATOM 0 HG21 THR A 99 3.010 5.135 6.144 1.00 0.00 H new ATOM 0 HG22 THR A 99 1.697 4.918 7.325 1.00 0.00 H new ATOM 0 HG23 THR A 99 1.513 4.300 5.667 1.00 0.00 H new ATOM 1562 N ASP A 100 -0.779 8.130 7.622 1.00 0.00 N ATOM 1563 CA ASP A 100 -1.235 9.488 8.014 1.00 0.00 C ATOM 1564 C ASP A 100 -0.062 10.447 8.172 1.00 0.00 C ATOM 1565 O ASP A 100 0.960 10.098 8.732 1.00 0.00 O ATOM 1566 CB ASP A 100 -1.969 9.380 9.359 1.00 0.00 C ATOM 1567 CG ASP A 100 -1.024 8.784 10.405 1.00 0.00 C ATOM 1568 OD1 ASP A 100 -0.063 8.166 9.976 1.00 0.00 O ATOM 1569 OD2 ASP A 100 -1.316 8.981 11.572 1.00 0.00 O ATOM 0 H ASP A 100 -0.570 7.495 8.392 1.00 0.00 H new ATOM 0 HA ASP A 100 -1.889 9.876 7.233 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -2.311 10.364 9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -2.855 8.754 9.254 1.00 0.00 H new ATOM 1574 N GLN A 101 -0.239 11.648 7.673 1.00 0.00 N ATOM 1575 CA GLN A 101 0.846 12.662 7.775 1.00 0.00 C ATOM 1576 C GLN A 101 0.537 13.664 8.883 1.00 0.00 C ATOM 1577 O GLN A 101 0.988 13.516 10.002 1.00 0.00 O ATOM 1578 CB GLN A 101 0.927 13.418 6.438 1.00 0.00 C ATOM 1579 CG GLN A 101 1.730 12.586 5.437 1.00 0.00 C ATOM 1580 CD GLN A 101 3.219 12.690 5.771 1.00 0.00 C ATOM 1581 OE1 GLN A 101 3.748 11.919 6.549 1.00 0.00 O ATOM 1582 NE2 GLN A 101 3.931 13.626 5.207 1.00 0.00 N ATOM 0 H GLN A 101 -1.087 11.964 7.202 1.00 0.00 H new ATOM 0 HA GLN A 101 1.787 12.162 8.002 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -0.075 13.606 6.052 1.00 0.00 H new ATOM 0 HB3 GLN A 101 1.400 14.389 6.584 1.00 0.00 H new ATOM 0 HG2 GLN A 101 1.410 11.545 5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 101 1.548 12.941 4.423 1.00 0.00 H new ATOM 0 HE21 GLN A 101 3.494 14.276 4.554 1.00 0.00 H new ATOM 0 HE22 GLN A 101 4.925 13.708 5.419 1.00 0.00 H new ATOM 1591 N ASN A 102 -0.228 14.672 8.549 1.00 0.00 N ATOM 1592 CA ASN A 102 -0.576 15.694 9.568 1.00 0.00 C ATOM 1593 C ASN A 102 -1.848 16.440 9.176 1.00 0.00 C ATOM 1594 O ASN A 102 -1.792 17.533 8.649 1.00 0.00 O ATOM 1595 CB ASN A 102 0.578 16.703 9.661 1.00 0.00 C ATOM 1596 CG ASN A 102 0.315 17.668 10.819 1.00 0.00 C ATOM 1597 OD1 ASN A 102 -0.402 18.639 10.682 1.00 0.00 O ATOM 1598 ND2 ASN A 102 0.875 17.439 11.976 1.00 0.00 N ATOM 0 H ASN A 102 -0.622 14.827 7.621 1.00 0.00 H new ATOM 0 HA ASN A 102 -0.741 15.198 10.525 1.00 0.00 H new ATOM 0 HB2 ASN A 102 1.522 16.180 9.816 1.00 0.00 H new ATOM 0 HB3 ASN A 102 0.669 17.255 8.726 1.00 0.00 H new ATOM 0 HD21 ASN A 102 0.709 18.073 12.757 1.00 0.00 H new ATOM 0 HD22 ASN A 102 1.478 16.626 12.099 1.00 0.00 H new ATOM 1605 N ASP A 103 -2.975 15.833 9.442 1.00 0.00 N ATOM 1606 CA ASP A 103 -4.258 16.492 9.092 1.00 0.00 C ATOM 1607 C ASP A 103 -4.533 17.674 10.014 1.00 0.00 C ATOM 1608 O ASP A 103 -3.762 17.959 10.907 1.00 0.00 O ATOM 1609 CB ASP A 103 -5.387 15.463 9.254 1.00 0.00 C ATOM 1610 CG ASP A 103 -6.652 15.987 8.568 1.00 0.00 C ATOM 1611 OD1 ASP A 103 -6.723 15.818 7.362 1.00 0.00 O ATOM 1612 OD2 ASP A 103 -7.474 16.527 9.289 1.00 0.00 O ATOM 0 H ASP A 103 -3.058 14.917 9.883 1.00 0.00 H new ATOM 0 HA ASP A 103 -4.203 16.859 8.067 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -5.091 14.509 8.817 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -5.581 15.282 10.311 1.00 0.00 H new ATOM 1617 N ASN A 104 -5.631 18.342 9.779 1.00 0.00 N ATOM 1618 CA ASN A 104 -5.972 19.506 10.632 1.00 0.00 C ATOM 1619 C ASN A 104 -6.107 19.088 12.091 1.00 0.00 C ATOM 1620 O ASN A 104 -6.380 17.916 12.295 1.00 0.00 O ATOM 1621 CB ASN A 104 -7.316 20.081 10.156 1.00 0.00 C ATOM 1622 CG ASN A 104 -7.244 20.365 8.653 1.00 0.00 C ATOM 1623 OD1 ASN A 104 -8.145 20.042 7.905 1.00 0.00 O ATOM 1624 ND2 ASN A 104 -6.190 20.968 8.172 1.00 0.00 N ATOM 1625 OXT ASN A 104 -5.930 19.962 12.924 1.00 0.00 O ATOM 0 H ASN A 104 -6.299 18.130 9.038 1.00 0.00 H new ATOM 0 HA ASN A 104 -5.178 20.249 10.553 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -8.120 19.376 10.366 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -7.545 20.997 10.700 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -6.127 21.165 7.173 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -5.430 21.242 8.795 1.00 0.00 H new TER 1632 ASN A 104