USER MOD reduce.3.24.130724 H: found=0, std=0, add=958, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 955 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 116 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 117 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0345) USER MOD Set 2.1: A 107 SER OG : rot 141:sc= -1.16! USER MOD Set 2.2: A 111 LYS NZ :NH3+ 169:sc= -0.38! (180deg=-0.229) USER MOD Set 3.1: A 95 LYS NZ :NH3+ 166:sc= 0.184 (180deg=0) USER MOD Set 3.2: A 99 THR OG1 : rot 87:sc= 0.609 USER MOD Set 4.1: A 20 TYR OH : rot -135:sc= -0.859! USER MOD Set 4.2: A 43 HIS : no HD1:sc= 0.583 K(o=-0.28,f=-12!) USER MOD Set 5.1: A 39 CYS SG : rot 86:sc= -3.32! USER MOD Set 5.2: A 63 ASN : amide:sc= -7.61! C(o=-11!,f=-24!) USER MOD Set 6.1: A 22 HIS : no HE2:sc= -6.83! C(o=-7!,f=-15!) USER MOD Set 6.2: A 36 MET CE :methyl -111:sc= -0.161 (180deg=-0.0155) USER MOD Set 7.1: A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 7.2: A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -132:sc= -0.765 (180deg=-2.38!) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -2.13 K(o=-2.1,f=-0.51) USER MOD Single : A 8 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 CYS SG : rot 19:sc= 1.42 USER MOD Single : A 16 MET CE :methyl -155:sc= -0.445 (180deg=-1.79!) USER MOD Single : A 17 THR OG1 : rot 66:sc= 0.164! USER MOD Single : A 19 ASN : amide:sc= -1.75! K(o=-1.7!,f=-0.035) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 27 ASN : amide:sc= -1.9! C(o=-1.9!,f=-7.9!) USER MOD Single : A 29 SER OG : rot 88:sc= 0.169 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -50:sc= 0.23 USER MOD Single : A 33 SER OG : rot 92:sc= 0.192 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 TYR OH : rot 110:sc= -1.68 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0601) USER MOD Single : A 62 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 THR OG1 : rot 82:sc= -0.947 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 THR OG1 : rot 96:sc= 1.24 USER MOD Single : A 73 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00759) USER MOD Single : A 77 CYS SG : rot -170:sc= 0.463 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 86 MET CE :methyl -104:sc= -0.48 (180deg=-0.586) USER MOD Single : A 96 CYS SG : rot 180:sc= -0.0854 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 TYR OH : rot 165:sc= 0 USER MOD Single : A 102 GLN : amide:sc= -0.0193 K(o=-0.019,f=-2!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.0315 X(o=-0.032,f=-0.14) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00333) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.124 23.041 5.407 1.00 0.00 N ATOM 2 CA GLY A 1 -3.479 21.602 5.543 1.00 0.00 C ATOM 3 C GLY A 1 -2.250 20.811 5.972 1.00 0.00 C ATOM 4 O GLY A 1 -1.674 20.065 5.179 1.00 0.00 O ATOM 0 H1 GLY A 1 -3.833 23.621 5.900 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.187 23.209 5.826 1.00 0.00 H new ATOM 0 H3 GLY A 1 -3.104 23.300 4.400 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.276 21.481 6.277 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -3.858 21.219 4.595 1.00 0.00 H new ATOM 10 N PRO A 2 -1.847 20.949 7.210 1.00 0.00 N ATOM 11 CA PRO A 2 -0.670 20.222 7.747 1.00 0.00 C ATOM 12 C PRO A 2 -0.997 18.745 7.928 1.00 0.00 C ATOM 13 O PRO A 2 -1.775 18.370 8.804 1.00 0.00 O ATOM 14 CB PRO A 2 -0.358 20.899 9.100 1.00 0.00 C ATOM 15 CG PRO A 2 -1.384 21.991 9.286 1.00 0.00 C ATOM 16 CD PRO A 2 -2.469 21.808 8.216 1.00 0.00 C ATOM 0 HA PRO A 2 0.187 20.266 7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -0.409 20.177 9.915 1.00 0.00 H new ATOM 0 HB3 PRO A 2 0.651 21.311 9.103 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -1.820 21.939 10.284 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -0.918 22.972 9.193 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -3.364 21.347 8.633 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -2.772 22.764 7.790 1.00 0.00 H new ATOM 24 N LEU A 3 -0.410 17.917 7.078 1.00 0.00 N ATOM 25 CA LEU A 3 -0.646 16.477 7.126 1.00 0.00 C ATOM 26 C LEU A 3 0.463 15.783 7.911 1.00 0.00 C ATOM 27 O LEU A 3 0.350 14.606 8.256 1.00 0.00 O ATOM 28 CB LEU A 3 -0.707 15.930 5.691 1.00 0.00 C ATOM 29 CG LEU A 3 -1.809 16.669 4.908 1.00 0.00 C ATOM 30 CD1 LEU A 3 -1.841 16.189 3.447 1.00 0.00 C ATOM 31 CD2 LEU A 3 -3.177 16.413 5.567 1.00 0.00 C ATOM 0 H LEU A 3 0.234 18.215 6.345 1.00 0.00 H new ATOM 0 HA LEU A 3 -1.592 16.281 7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 3 0.256 16.063 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -0.912 14.860 5.706 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.593 17.737 4.923 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -2.625 16.720 2.907 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -0.878 16.388 2.978 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -2.044 15.118 3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -3.953 16.938 5.010 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -3.388 15.344 5.564 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -3.160 16.776 6.595 1.00 0.00 H new ATOM 43 N GLY A 4 1.537 16.522 8.189 1.00 0.00 N ATOM 44 CA GLY A 4 2.666 15.967 8.932 1.00 0.00 C ATOM 45 C GLY A 4 3.636 15.251 7.997 1.00 0.00 C ATOM 46 O GLY A 4 3.358 15.079 6.810 1.00 0.00 O ATOM 0 H GLY A 4 1.648 17.498 7.913 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.187 16.766 9.460 1.00 0.00 H new ATOM 0 HA3 GLY A 4 2.302 15.270 9.687 1.00 0.00 H new ATOM 50 N SER A 5 4.772 14.836 8.543 1.00 0.00 N ATOM 51 CA SER A 5 5.783 14.142 7.756 1.00 0.00 C ATOM 52 C SER A 5 5.145 13.047 6.913 1.00 0.00 C ATOM 53 O SER A 5 5.637 12.707 5.837 1.00 0.00 O ATOM 54 CB SER A 5 6.827 13.522 8.682 1.00 0.00 C ATOM 55 OG SER A 5 6.188 12.595 9.551 1.00 0.00 O ATOM 0 H SER A 5 5.016 14.967 9.525 1.00 0.00 H new ATOM 0 HA SER A 5 6.261 14.865 7.096 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.597 13.019 8.097 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.324 14.300 9.262 1.00 0.00 H new ATOM 0 HG SER A 5 6.854 12.193 10.147 1.00 0.00 H new ATOM 61 N LYS A 6 4.036 12.507 7.405 1.00 0.00 N ATOM 62 CA LYS A 6 3.323 11.453 6.692 1.00 0.00 C ATOM 63 C LYS A 6 2.902 11.927 5.303 1.00 0.00 C ATOM 64 O LYS A 6 2.306 11.173 4.530 1.00 0.00 O ATOM 65 CB LYS A 6 2.088 11.035 7.493 1.00 0.00 C ATOM 66 CG LYS A 6 2.536 10.347 8.787 1.00 0.00 C ATOM 67 CD LYS A 6 1.308 9.967 9.621 1.00 0.00 C ATOM 68 CE LYS A 6 1.748 9.269 10.914 1.00 0.00 C ATOM 69 NZ LYS A 6 0.548 8.970 11.746 1.00 0.00 N ATOM 0 H LYS A 6 3.612 12.780 8.292 1.00 0.00 H new ATOM 0 HA LYS A 6 3.991 10.599 6.577 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.477 11.908 7.724 1.00 0.00 H new ATOM 0 HB3 LYS A 6 1.469 10.359 6.903 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.119 9.456 8.554 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.184 11.012 9.358 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.729 10.859 9.859 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.657 9.309 9.046 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.281 8.348 10.680 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.439 9.905 11.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.843 8.497 12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.057 9.857 11.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.095 8.348 11.216 1.00 0.00 H new ATOM 83 N ASN A 7 3.227 13.176 4.990 1.00 0.00 N ATOM 84 CA ASN A 7 2.904 13.736 3.690 1.00 0.00 C ATOM 85 C ASN A 7 3.767 13.090 2.611 1.00 0.00 C ATOM 86 O ASN A 7 3.318 12.870 1.485 1.00 0.00 O ATOM 87 CB ASN A 7 3.123 15.247 3.701 1.00 0.00 C ATOM 88 CG ASN A 7 2.845 15.824 2.317 1.00 0.00 C ATOM 89 OD1 ASN A 7 3.321 16.911 1.990 1.00 0.00 O ATOM 90 ND2 ASN A 7 2.101 15.156 1.479 1.00 0.00 N ATOM 0 H ASN A 7 3.712 13.816 5.619 1.00 0.00 H new ATOM 0 HA ASN A 7 1.856 13.533 3.470 1.00 0.00 H new ATOM 0 HB2 ASN A 7 2.467 15.713 4.437 1.00 0.00 H new ATOM 0 HB3 ASN A 7 4.147 15.472 3.999 1.00 0.00 H new ATOM 0 HD21 ASN A 7 1.913 15.534 0.551 1.00 0.00 H new ATOM 0 HD22 ASN A 7 1.708 14.255 1.752 1.00 0.00 H new ATOM 97 N MET A 8 5.015 12.806 2.967 1.00 0.00 N ATOM 98 CA MET A 8 5.951 12.201 2.029 1.00 0.00 C ATOM 99 C MET A 8 5.394 10.883 1.504 1.00 0.00 C ATOM 100 O MET A 8 5.357 10.652 0.296 1.00 0.00 O ATOM 101 CB MET A 8 7.285 11.949 2.748 1.00 0.00 C ATOM 102 CG MET A 8 8.298 11.302 1.796 1.00 0.00 C ATOM 103 SD MET A 8 8.633 12.417 0.410 1.00 0.00 S ATOM 104 CE MET A 8 9.660 11.275 -0.547 1.00 0.00 C ATOM 0 H MET A 8 5.400 12.984 3.895 1.00 0.00 H new ATOM 0 HA MET A 8 6.104 12.875 1.186 1.00 0.00 H new ATOM 0 HB2 MET A 8 7.684 12.890 3.127 1.00 0.00 H new ATOM 0 HB3 MET A 8 7.123 11.302 3.610 1.00 0.00 H new ATOM 0 HG2 MET A 8 9.223 11.081 2.329 1.00 0.00 H new ATOM 0 HG3 MET A 8 7.909 10.353 1.426 1.00 0.00 H new ATOM 0 HE1 MET A 8 9.987 11.762 -1.466 1.00 0.00 H new ATOM 0 HE2 MET A 8 10.531 10.989 0.042 1.00 0.00 H new ATOM 0 HE3 MET A 8 9.081 10.385 -0.794 1.00 0.00 H new ATOM 114 N LEU A 9 4.955 10.030 2.423 1.00 0.00 N ATOM 115 CA LEU A 9 4.399 8.743 2.056 1.00 0.00 C ATOM 116 C LEU A 9 3.127 8.929 1.247 1.00 0.00 C ATOM 117 O LEU A 9 2.929 8.273 0.227 1.00 0.00 O ATOM 118 CB LEU A 9 4.066 7.972 3.328 1.00 0.00 C ATOM 119 CG LEU A 9 5.348 7.593 4.060 1.00 0.00 C ATOM 120 CD1 LEU A 9 4.986 7.015 5.430 1.00 0.00 C ATOM 121 CD2 LEU A 9 6.155 6.557 3.251 1.00 0.00 C ATOM 0 H LEU A 9 4.976 10.211 3.427 1.00 0.00 H new ATOM 0 HA LEU A 9 5.126 8.197 1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.434 8.579 3.976 1.00 0.00 H new ATOM 0 HB3 LEU A 9 3.500 7.074 3.081 1.00 0.00 H new ATOM 0 HG LEU A 9 5.965 8.483 4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.897 6.741 5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 9 4.440 7.761 6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 9 4.363 6.131 5.299 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.066 6.302 3.793 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.554 5.659 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.416 6.977 2.280 1.00 0.00 H new ATOM 133 N LEU A 10 2.270 9.831 1.718 1.00 0.00 N ATOM 134 CA LEU A 10 1.009 10.089 1.034 1.00 0.00 C ATOM 135 C LEU A 10 1.296 10.592 -0.377 1.00 0.00 C ATOM 136 O LEU A 10 0.693 10.137 -1.350 1.00 0.00 O ATOM 137 CB LEU A 10 0.185 11.122 1.827 1.00 0.00 C ATOM 138 CG LEU A 10 -1.107 11.484 1.076 1.00 0.00 C ATOM 139 CD1 LEU A 10 -1.950 10.223 0.845 1.00 0.00 C ATOM 140 CD2 LEU A 10 -1.915 12.499 1.906 1.00 0.00 C ATOM 0 H LEU A 10 2.423 10.388 2.559 1.00 0.00 H new ATOM 0 HA LEU A 10 0.429 9.168 0.968 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -0.061 10.720 2.810 1.00 0.00 H new ATOM 0 HB3 LEU A 10 0.780 12.021 1.990 1.00 0.00 H new ATOM 0 HG LEU A 10 -0.850 11.922 0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -2.863 10.488 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -1.380 9.507 0.253 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.207 9.776 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.831 12.756 1.375 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.167 12.061 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.320 13.399 2.060 1.00 0.00 H new ATOM 152 N GLU A 11 2.233 11.522 -0.474 1.00 0.00 N ATOM 153 CA GLU A 11 2.622 12.090 -1.758 1.00 0.00 C ATOM 154 C GLU A 11 3.121 10.993 -2.679 1.00 0.00 C ATOM 155 O GLU A 11 2.698 10.847 -3.828 1.00 0.00 O ATOM 156 CB GLU A 11 3.763 13.065 -1.508 1.00 0.00 C ATOM 157 CG GLU A 11 4.067 13.847 -2.781 1.00 0.00 C ATOM 158 CD GLU A 11 5.129 14.904 -2.498 1.00 0.00 C ATOM 159 OE1 GLU A 11 5.373 15.175 -1.333 1.00 0.00 O ATOM 160 OE2 GLU A 11 5.681 15.427 -3.449 1.00 0.00 O ATOM 0 H GLU A 11 2.741 11.902 0.325 1.00 0.00 H new ATOM 0 HA GLU A 11 1.768 12.587 -2.219 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.497 13.751 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 11 4.651 12.523 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.414 13.169 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.159 14.321 -3.153 1.00 0.00 H new ATOM 167 N TRP A 12 4.035 10.244 -2.117 1.00 0.00 N ATOM 168 CA TRP A 12 4.689 9.124 -2.763 1.00 0.00 C ATOM 169 C TRP A 12 3.672 8.066 -3.207 1.00 0.00 C ATOM 170 O TRP A 12 3.522 7.798 -4.401 1.00 0.00 O ATOM 171 CB TRP A 12 5.630 8.595 -1.691 1.00 0.00 C ATOM 172 CG TRP A 12 6.405 7.400 -2.104 1.00 0.00 C ATOM 173 CD1 TRP A 12 7.505 7.399 -2.880 1.00 0.00 C ATOM 174 CD2 TRP A 12 6.190 6.037 -1.683 1.00 0.00 C ATOM 175 NE1 TRP A 12 7.978 6.099 -2.972 1.00 0.00 N ATOM 176 CE2 TRP A 12 7.192 5.221 -2.249 1.00 0.00 C ATOM 177 CE3 TRP A 12 5.217 5.441 -0.873 1.00 0.00 C ATOM 178 CZ2 TRP A 12 7.231 3.848 -2.010 1.00 0.00 C ATOM 179 CZ3 TRP A 12 5.245 4.061 -0.629 1.00 0.00 C ATOM 180 CH2 TRP A 12 6.252 3.265 -1.196 1.00 0.00 C ATOM 0 H TRP A 12 4.359 10.399 -1.162 1.00 0.00 H new ATOM 0 HA TRP A 12 5.215 9.405 -3.676 1.00 0.00 H new ATOM 0 HB2 TRP A 12 6.325 9.386 -1.409 1.00 0.00 H new ATOM 0 HB3 TRP A 12 5.049 8.349 -0.802 1.00 0.00 H new ATOM 0 HD1 TRP A 12 7.945 8.265 -3.352 1.00 0.00 H new ATOM 0 HE1 TRP A 12 8.803 5.825 -3.506 1.00 0.00 H new ATOM 0 HE3 TRP A 12 4.440 6.048 -0.433 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 8.009 3.240 -2.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 4.490 3.609 -0.003 1.00 0.00 H new ATOM 0 HH2 TRP A 12 6.272 2.202 -1.005 1.00 0.00 H new ATOM 191 N CYS A 13 2.971 7.477 -2.243 1.00 0.00 N ATOM 192 CA CYS A 13 1.972 6.454 -2.547 1.00 0.00 C ATOM 193 C CYS A 13 0.982 6.959 -3.602 1.00 0.00 C ATOM 194 O CYS A 13 0.692 6.270 -4.574 1.00 0.00 O ATOM 195 CB CYS A 13 1.218 6.102 -1.251 1.00 0.00 C ATOM 196 SG CYS A 13 2.104 4.793 -0.369 1.00 0.00 S ATOM 0 H CYS A 13 3.074 7.688 -1.250 1.00 0.00 H new ATOM 0 HA CYS A 13 2.471 5.570 -2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.130 6.985 -0.618 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.205 5.775 -1.485 1.00 0.00 H new ATOM 0 HG CYS A 13 3.332 4.740 -0.791 1.00 0.00 H new ATOM 202 N ARG A 14 0.466 8.163 -3.378 1.00 0.00 N ATOM 203 CA ARG A 14 -0.505 8.762 -4.292 1.00 0.00 C ATOM 204 C ARG A 14 0.088 8.901 -5.684 1.00 0.00 C ATOM 205 O ARG A 14 -0.504 8.489 -6.680 1.00 0.00 O ATOM 206 CB ARG A 14 -0.888 10.151 -3.791 1.00 0.00 C ATOM 207 CG ARG A 14 -2.019 10.721 -4.656 1.00 0.00 C ATOM 208 CD ARG A 14 -2.382 12.125 -4.165 1.00 0.00 C ATOM 209 NE ARG A 14 -3.005 12.058 -2.848 1.00 0.00 N ATOM 210 CZ ARG A 14 -3.336 13.163 -2.184 1.00 0.00 C ATOM 211 NH1 ARG A 14 -2.417 13.849 -1.562 1.00 0.00 N ATOM 212 NH2 ARG A 14 -4.580 13.561 -2.153 1.00 0.00 N ATOM 0 H ARG A 14 0.702 8.744 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 14 -1.382 8.116 -4.333 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -1.206 10.097 -2.750 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -0.022 10.812 -3.826 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -1.708 10.759 -5.700 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -2.892 10.070 -4.606 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -1.486 12.744 -4.119 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -3.062 12.600 -4.872 1.00 0.00 H new ATOM 0 HE ARG A 14 -3.191 11.147 -2.428 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -1.446 13.538 -1.585 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -2.670 14.696 -1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -5.299 13.025 -2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -4.832 14.408 -1.644 1.00 0.00 H new ATOM 226 N ALA A 15 1.264 9.498 -5.727 1.00 0.00 N ATOM 227 CA ALA A 15 1.958 9.724 -6.991 1.00 0.00 C ATOM 228 C ALA A 15 2.067 8.436 -7.801 1.00 0.00 C ATOM 229 O ALA A 15 2.253 8.472 -9.018 1.00 0.00 O ATOM 230 CB ALA A 15 3.359 10.268 -6.717 1.00 0.00 C ATOM 0 H ALA A 15 1.763 9.837 -4.904 1.00 0.00 H new ATOM 0 HA ALA A 15 1.382 10.446 -7.569 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.875 10.436 -7.662 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.284 11.209 -6.172 1.00 0.00 H new ATOM 0 HB3 ALA A 15 3.919 9.548 -6.121 1.00 0.00 H new ATOM 236 N MET A 16 1.968 7.298 -7.121 1.00 0.00 N ATOM 237 CA MET A 16 2.067 5.999 -7.784 1.00 0.00 C ATOM 238 C MET A 16 0.702 5.311 -7.832 1.00 0.00 C ATOM 239 O MET A 16 0.562 4.234 -8.414 1.00 0.00 O ATOM 240 CB MET A 16 3.086 5.131 -7.019 1.00 0.00 C ATOM 241 CG MET A 16 4.488 5.336 -7.610 1.00 0.00 C ATOM 242 SD MET A 16 4.926 7.096 -7.547 1.00 0.00 S ATOM 243 CE MET A 16 5.837 7.057 -5.984 1.00 0.00 C ATOM 0 H MET A 16 1.820 7.247 -6.113 1.00 0.00 H new ATOM 0 HA MET A 16 2.402 6.138 -8.812 1.00 0.00 H new ATOM 0 HB2 MET A 16 3.084 5.397 -5.962 1.00 0.00 H new ATOM 0 HB3 MET A 16 2.804 4.080 -7.083 1.00 0.00 H new ATOM 0 HG2 MET A 16 5.218 4.749 -7.052 1.00 0.00 H new ATOM 0 HG3 MET A 16 4.514 4.981 -8.640 1.00 0.00 H new ATOM 0 HE1 MET A 16 5.818 8.046 -5.527 1.00 0.00 H new ATOM 0 HE2 MET A 16 5.373 6.337 -5.310 1.00 0.00 H new ATOM 0 HE3 MET A 16 6.870 6.764 -6.172 1.00 0.00 H new ATOM 253 N THR A 17 -0.297 5.933 -7.207 1.00 0.00 N ATOM 254 CA THR A 17 -1.648 5.373 -7.177 1.00 0.00 C ATOM 255 C THR A 17 -2.544 6.032 -8.226 1.00 0.00 C ATOM 256 O THR A 17 -3.667 5.574 -8.466 1.00 0.00 O ATOM 257 CB THR A 17 -2.266 5.580 -5.794 1.00 0.00 C ATOM 258 OG1 THR A 17 -1.336 5.200 -4.793 1.00 0.00 O ATOM 259 CG2 THR A 17 -3.534 4.736 -5.656 1.00 0.00 C ATOM 0 H THR A 17 -0.197 6.822 -6.716 1.00 0.00 H new ATOM 0 HA THR A 17 -1.573 4.308 -7.399 1.00 0.00 H new ATOM 0 HB THR A 17 -2.521 6.633 -5.674 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.565 5.805 -4.816 1.00 0.00 H new ATOM 0 HG21 THR A 17 -3.968 4.890 -4.668 1.00 0.00 H new ATOM 0 HG22 THR A 17 -4.254 5.034 -6.418 1.00 0.00 H new ATOM 0 HG23 THR A 17 -3.285 3.682 -5.783 1.00 0.00 H new ATOM 267 N ARG A 18 -2.041 7.089 -8.862 1.00 0.00 N ATOM 268 CA ARG A 18 -2.797 7.779 -9.888 1.00 0.00 C ATOM 269 C ARG A 18 -3.025 6.842 -11.074 1.00 0.00 C ATOM 270 O ARG A 18 -4.141 6.687 -11.568 1.00 0.00 O ATOM 271 CB ARG A 18 -1.997 8.996 -10.338 1.00 0.00 C ATOM 272 CG ARG A 18 -2.828 9.802 -11.322 1.00 0.00 C ATOM 273 CD ARG A 18 -2.039 11.021 -11.775 1.00 0.00 C ATOM 274 NE ARG A 18 -0.882 10.606 -12.554 1.00 0.00 N ATOM 275 CZ ARG A 18 0.001 11.492 -12.994 1.00 0.00 C ATOM 276 NH1 ARG A 18 0.986 11.863 -12.226 1.00 0.00 N ATOM 277 NH2 ARG A 18 -0.120 11.987 -14.194 1.00 0.00 N ATOM 0 H ARG A 18 -1.116 7.480 -8.681 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.765 8.093 -9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -1.732 9.611 -9.478 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -1.063 8.681 -10.804 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -3.091 9.186 -12.182 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.762 10.114 -10.855 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.675 11.674 -12.373 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.716 11.598 -10.908 1.00 0.00 H new ATOM 0 HE ARG A 18 -0.748 9.617 -12.765 1.00 0.00 H new ATOM 0 HH11 ARG A 18 1.077 11.472 -11.288 1.00 0.00 H new ATOM 0 HH12 ARG A 18 1.666 12.544 -12.563 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -0.892 11.693 -14.792 1.00 0.00 H new ATOM 0 HH22 ARG A 18 0.558 12.669 -14.535 1.00 0.00 H new ATOM 291 N ASN A 19 -1.934 6.215 -11.497 1.00 0.00 N ATOM 292 CA ASN A 19 -1.965 5.276 -12.616 1.00 0.00 C ATOM 293 C ASN A 19 -3.058 4.241 -12.380 1.00 0.00 C ATOM 294 O ASN A 19 -3.622 3.681 -13.321 1.00 0.00 O ATOM 295 CB ASN A 19 -0.615 4.568 -12.741 1.00 0.00 C ATOM 296 CG ASN A 19 0.456 5.558 -13.191 1.00 0.00 C ATOM 297 OD1 ASN A 19 1.647 5.259 -13.110 1.00 0.00 O ATOM 298 ND2 ASN A 19 0.102 6.724 -13.656 1.00 0.00 N ATOM 0 H ASN A 19 -1.011 6.340 -11.081 1.00 0.00 H new ATOM 0 HA ASN A 19 -2.169 5.824 -13.536 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -0.336 4.129 -11.783 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.689 3.750 -13.458 1.00 0.00 H new ATOM 0 HD21 ASN A 19 0.813 7.392 -13.954 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -0.886 6.968 -13.722 1.00 0.00 H new ATOM 305 N TYR A 20 -3.340 3.995 -11.107 1.00 0.00 N ATOM 306 CA TYR A 20 -4.357 3.031 -10.711 1.00 0.00 C ATOM 307 C TYR A 20 -5.717 3.709 -10.593 1.00 0.00 C ATOM 308 O TYR A 20 -5.804 4.886 -10.242 1.00 0.00 O ATOM 309 CB TYR A 20 -3.966 2.425 -9.366 1.00 0.00 C ATOM 310 CG TYR A 20 -2.765 1.530 -9.554 1.00 0.00 C ATOM 311 CD1 TYR A 20 -1.508 2.094 -9.800 1.00 0.00 C ATOM 312 CD2 TYR A 20 -2.909 0.142 -9.483 1.00 0.00 C ATOM 313 CE1 TYR A 20 -0.394 1.268 -9.975 1.00 0.00 C ATOM 314 CE2 TYR A 20 -1.796 -0.687 -9.656 1.00 0.00 C ATOM 315 CZ TYR A 20 -0.535 -0.123 -9.901 1.00 0.00 C ATOM 316 OH TYR A 20 0.568 -0.936 -10.071 1.00 0.00 O ATOM 0 H TYR A 20 -2.873 4.455 -10.325 1.00 0.00 H new ATOM 0 HA TYR A 20 -4.426 2.249 -11.467 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.737 3.215 -8.651 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.799 1.854 -8.955 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.399 3.167 -9.855 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -3.880 -0.291 -9.294 1.00 0.00 H new ATOM 0 HE1 TYR A 20 0.576 1.703 -10.167 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.907 -1.760 -9.601 1.00 0.00 H new ATOM 0 HH TYR A 20 0.336 -1.682 -10.662 1.00 0.00 H new ATOM 326 N GLU A 21 -6.779 2.965 -10.905 1.00 0.00 N ATOM 327 CA GLU A 21 -8.140 3.507 -10.844 1.00 0.00 C ATOM 328 C GLU A 21 -8.952 2.811 -9.766 1.00 0.00 C ATOM 329 O GLU A 21 -8.487 1.851 -9.152 1.00 0.00 O ATOM 330 CB GLU A 21 -8.834 3.310 -12.189 1.00 0.00 C ATOM 331 CG GLU A 21 -8.169 4.196 -13.240 1.00 0.00 C ATOM 332 CD GLU A 21 -8.836 3.978 -14.592 1.00 0.00 C ATOM 333 OE1 GLU A 21 -9.786 3.215 -14.645 1.00 0.00 O ATOM 334 OE2 GLU A 21 -8.389 4.578 -15.556 1.00 0.00 O ATOM 0 H GLU A 21 -6.725 1.990 -11.201 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.072 4.569 -10.608 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.776 2.264 -12.490 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.892 3.559 -12.104 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -8.248 5.244 -12.949 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -7.106 3.963 -13.306 1.00 0.00 H new ATOM 341 N HIS A 22 -10.165 3.314 -9.533 1.00 0.00 N ATOM 342 CA HIS A 22 -11.040 2.742 -8.515 1.00 0.00 C ATOM 343 C HIS A 22 -10.357 2.878 -7.154 1.00 0.00 C ATOM 344 O HIS A 22 -10.845 2.404 -6.134 1.00 0.00 O ATOM 345 CB HIS A 22 -11.329 1.264 -8.857 1.00 0.00 C ATOM 346 CG HIS A 22 -12.375 0.690 -7.937 1.00 0.00 C ATOM 347 ND1 HIS A 22 -12.175 0.582 -6.577 1.00 0.00 N ATOM 348 CD2 HIS A 22 -13.616 0.148 -8.173 1.00 0.00 C ATOM 349 CE1 HIS A 22 -13.260 -0.002 -6.044 1.00 0.00 C ATOM 350 NE2 HIS A 22 -14.175 -0.288 -6.975 1.00 0.00 N ATOM 0 H HIS A 22 -10.560 4.111 -10.033 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.993 3.270 -8.483 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -11.667 1.186 -9.890 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -10.411 0.682 -8.777 1.00 0.00 H new ATOM 0 HD1 HIS A 22 -11.348 0.891 -6.066 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -14.087 0.072 -9.142 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -13.379 -0.215 -4.992 1.00 0.00 H new ATOM 358 N VAL A 23 -9.211 3.552 -7.159 1.00 0.00 N ATOM 359 CA VAL A 23 -8.435 3.777 -5.941 1.00 0.00 C ATOM 360 C VAL A 23 -8.119 5.263 -5.790 1.00 0.00 C ATOM 361 O VAL A 23 -7.649 5.907 -6.729 1.00 0.00 O ATOM 362 CB VAL A 23 -7.136 2.972 -6.039 1.00 0.00 C ATOM 363 CG1 VAL A 23 -6.238 3.241 -4.832 1.00 0.00 C ATOM 364 CG2 VAL A 23 -7.464 1.481 -6.114 1.00 0.00 C ATOM 0 H VAL A 23 -8.796 3.955 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 23 -9.007 3.457 -5.070 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.604 3.278 -6.940 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.321 2.658 -4.923 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -5.991 4.302 -4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -6.760 2.955 -3.919 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -6.539 0.908 -6.184 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -8.009 1.183 -5.218 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -8.078 1.287 -6.994 1.00 0.00 H new ATOM 374 N ASP A 24 -8.363 5.793 -4.598 1.00 0.00 N ATOM 375 CA ASP A 24 -8.091 7.204 -4.307 1.00 0.00 C ATOM 376 C ASP A 24 -7.627 7.350 -2.864 1.00 0.00 C ATOM 377 O ASP A 24 -8.406 7.154 -1.934 1.00 0.00 O ATOM 378 CB ASP A 24 -9.348 8.042 -4.534 1.00 0.00 C ATOM 379 CG ASP A 24 -10.501 7.480 -3.711 1.00 0.00 C ATOM 380 OD1 ASP A 24 -10.330 6.416 -3.138 1.00 0.00 O ATOM 381 OD2 ASP A 24 -11.538 8.122 -3.665 1.00 0.00 O ATOM 0 H ASP A 24 -8.750 5.270 -3.812 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.307 7.558 -4.976 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -9.160 9.078 -4.253 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -9.610 8.041 -5.592 1.00 0.00 H new ATOM 386 N ILE A 25 -6.350 7.664 -2.684 1.00 0.00 N ATOM 387 CA ILE A 25 -5.782 7.789 -1.344 1.00 0.00 C ATOM 388 C ILE A 25 -6.088 9.150 -0.703 1.00 0.00 C ATOM 389 O ILE A 25 -5.341 10.117 -0.864 1.00 0.00 O ATOM 390 CB ILE A 25 -4.273 7.535 -1.411 1.00 0.00 C ATOM 391 CG1 ILE A 25 -4.057 6.159 -2.058 1.00 0.00 C ATOM 392 CG2 ILE A 25 -3.672 7.531 -0.001 1.00 0.00 C ATOM 393 CD1 ILE A 25 -2.563 5.846 -2.173 1.00 0.00 C ATOM 0 H ILE A 25 -5.690 7.836 -3.443 1.00 0.00 H new ATOM 0 HA ILE A 25 -6.250 7.041 -0.704 1.00 0.00 H new ATOM 0 HB ILE A 25 -3.788 8.320 -1.992 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.550 5.390 -1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -4.515 6.140 -3.047 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -2.599 7.349 -0.063 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -3.850 8.496 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -4.139 6.744 0.591 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.431 4.867 -2.634 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -2.079 6.605 -2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -2.114 5.843 -1.180 1.00 0.00 H new ATOM 405 N GLN A 26 -7.190 9.178 0.055 1.00 0.00 N ATOM 406 CA GLN A 26 -7.618 10.381 0.773 1.00 0.00 C ATOM 407 C GLN A 26 -7.132 10.297 2.214 1.00 0.00 C ATOM 408 O GLN A 26 -7.003 11.305 2.911 1.00 0.00 O ATOM 409 CB GLN A 26 -9.147 10.489 0.752 1.00 0.00 C ATOM 410 CG GLN A 26 -9.577 11.809 1.394 1.00 0.00 C ATOM 411 CD GLN A 26 -11.096 11.939 1.337 1.00 0.00 C ATOM 412 OE1 GLN A 26 -11.755 11.204 0.604 1.00 0.00 O ATOM 413 NE2 GLN A 26 -11.693 12.844 2.064 1.00 0.00 N ATOM 0 H GLN A 26 -7.804 8.375 0.187 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.196 11.262 0.290 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.511 10.436 -0.274 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.588 9.650 1.290 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -9.238 11.848 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -9.111 12.646 0.874 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.145 13.453 2.672 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -12.708 12.942 2.024 1.00 0.00 H new ATOM 422 N ASN A 27 -6.854 9.075 2.636 1.00 0.00 N ATOM 423 CA ASN A 27 -6.363 8.811 3.978 1.00 0.00 C ATOM 424 C ASN A 27 -5.651 7.474 3.967 1.00 0.00 C ATOM 425 O ASN A 27 -5.466 6.876 2.907 1.00 0.00 O ATOM 426 CB ASN A 27 -7.514 8.782 4.990 1.00 0.00 C ATOM 427 CG ASN A 27 -6.962 8.771 6.417 1.00 0.00 C ATOM 428 OD1 ASN A 27 -7.078 7.766 7.121 1.00 0.00 O ATOM 429 ND2 ASN A 27 -6.370 9.834 6.889 1.00 0.00 N ATOM 0 H ASN A 27 -6.962 8.240 2.060 1.00 0.00 H new ATOM 0 HA ASN A 27 -5.680 9.606 4.277 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -8.156 9.651 4.847 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -8.132 7.899 4.824 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -6.003 9.833 7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -6.274 10.666 6.306 1.00 0.00 H new ATOM 436 N PHE A 28 -5.238 7.006 5.132 1.00 0.00 N ATOM 437 CA PHE A 28 -4.537 5.730 5.221 1.00 0.00 C ATOM 438 C PHE A 28 -5.467 4.649 5.749 1.00 0.00 C ATOM 439 O PHE A 28 -5.139 3.464 5.730 1.00 0.00 O ATOM 440 CB PHE A 28 -3.335 5.885 6.153 1.00 0.00 C ATOM 441 CG PHE A 28 -2.243 6.650 5.442 1.00 0.00 C ATOM 442 CD1 PHE A 28 -2.245 8.049 5.452 1.00 0.00 C ATOM 443 CD2 PHE A 28 -1.236 5.958 4.763 1.00 0.00 C ATOM 444 CE1 PHE A 28 -1.235 8.755 4.785 1.00 0.00 C ATOM 445 CE2 PHE A 28 -0.229 6.661 4.096 1.00 0.00 C ATOM 446 CZ PHE A 28 -0.227 8.060 4.107 1.00 0.00 C ATOM 0 H PHE A 28 -5.373 7.483 6.024 1.00 0.00 H new ATOM 0 HA PHE A 28 -4.198 5.436 4.228 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.630 6.411 7.061 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -2.968 4.905 6.457 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -3.025 8.584 5.974 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -1.236 4.878 4.754 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -1.234 9.835 4.794 1.00 0.00 H new ATOM 0 HE2 PHE A 28 0.548 6.124 3.572 1.00 0.00 H new ATOM 0 HZ PHE A 28 0.552 8.603 3.593 1.00 0.00 H new ATOM 456 N SER A 29 -6.619 5.075 6.250 1.00 0.00 N ATOM 457 CA SER A 29 -7.601 4.158 6.834 1.00 0.00 C ATOM 458 C SER A 29 -8.780 3.884 5.900 1.00 0.00 C ATOM 459 O SER A 29 -8.891 2.813 5.311 1.00 0.00 O ATOM 460 CB SER A 29 -8.132 4.774 8.127 1.00 0.00 C ATOM 461 OG SER A 29 -9.201 3.981 8.619 1.00 0.00 O ATOM 0 H SER A 29 -6.902 6.055 6.266 1.00 0.00 H new ATOM 0 HA SER A 29 -7.100 3.208 7.016 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.336 4.833 8.869 1.00 0.00 H new ATOM 0 HB3 SER A 29 -8.474 5.793 7.945 1.00 0.00 H new ATOM 0 HG SER A 29 -8.844 3.268 9.189 1.00 0.00 H new ATOM 467 N SER A 30 -9.678 4.852 5.807 1.00 0.00 N ATOM 468 CA SER A 30 -10.876 4.709 4.985 1.00 0.00 C ATOM 469 C SER A 30 -10.543 4.458 3.523 1.00 0.00 C ATOM 470 O SER A 30 -11.182 3.636 2.867 1.00 0.00 O ATOM 471 CB SER A 30 -11.730 5.970 5.092 1.00 0.00 C ATOM 472 OG SER A 30 -12.120 6.163 6.444 1.00 0.00 O ATOM 0 H SER A 30 -9.603 5.747 6.290 1.00 0.00 H new ATOM 0 HA SER A 30 -11.423 3.844 5.359 1.00 0.00 H new ATOM 0 HB2 SER A 30 -11.168 6.834 4.737 1.00 0.00 H new ATOM 0 HB3 SER A 30 -12.611 5.880 4.457 1.00 0.00 H new ATOM 0 HG SER A 30 -12.667 6.973 6.514 1.00 0.00 H new ATOM 478 N SER A 31 -9.565 5.180 3.008 1.00 0.00 N ATOM 479 CA SER A 31 -9.192 5.029 1.615 1.00 0.00 C ATOM 480 C SER A 31 -8.570 3.661 1.356 1.00 0.00 C ATOM 481 O SER A 31 -8.213 3.336 0.226 1.00 0.00 O ATOM 482 CB SER A 31 -8.221 6.135 1.225 1.00 0.00 C ATOM 483 OG SER A 31 -8.702 7.377 1.718 1.00 0.00 O ATOM 0 H SER A 31 -9.020 5.869 3.527 1.00 0.00 H new ATOM 0 HA SER A 31 -10.092 5.105 1.005 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.232 5.927 1.633 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.116 6.177 0.141 1.00 0.00 H new ATOM 0 HG SER A 31 -9.641 7.490 1.461 1.00 0.00 H new ATOM 489 N TRP A 32 -8.436 2.866 2.416 1.00 0.00 N ATOM 490 CA TRP A 32 -7.844 1.532 2.309 1.00 0.00 C ATOM 491 C TRP A 32 -8.885 0.439 2.555 1.00 0.00 C ATOM 492 O TRP A 32 -8.582 -0.748 2.449 1.00 0.00 O ATOM 493 CB TRP A 32 -6.745 1.414 3.350 1.00 0.00 C ATOM 494 CG TRP A 32 -5.602 2.269 2.954 1.00 0.00 C ATOM 495 CD1 TRP A 32 -5.658 3.608 2.820 1.00 0.00 C ATOM 496 CD2 TRP A 32 -4.241 1.875 2.654 1.00 0.00 C ATOM 497 NE1 TRP A 32 -4.415 4.063 2.430 1.00 0.00 N ATOM 498 CE2 TRP A 32 -3.503 3.032 2.326 1.00 0.00 C ATOM 499 CE3 TRP A 32 -3.587 0.638 2.630 1.00 0.00 C ATOM 500 CZ2 TRP A 32 -2.154 2.963 1.991 1.00 0.00 C ATOM 501 CZ3 TRP A 32 -2.229 0.562 2.290 1.00 0.00 C ATOM 502 CH2 TRP A 32 -1.513 1.722 1.974 1.00 0.00 C ATOM 0 H TRP A 32 -8.729 3.122 3.359 1.00 0.00 H new ATOM 0 HA TRP A 32 -7.448 1.401 1.302 1.00 0.00 H new ATOM 0 HB2 TRP A 32 -7.120 1.718 4.327 1.00 0.00 H new ATOM 0 HB3 TRP A 32 -6.424 0.376 3.440 1.00 0.00 H new ATOM 0 HD1 TRP A 32 -6.530 4.223 2.989 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -4.197 5.041 2.242 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -4.131 -0.262 2.875 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -1.607 3.862 1.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -1.733 -0.397 2.272 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -0.466 1.658 1.717 1.00 0.00 H new ATOM 513 N SER A 33 -10.102 0.841 2.903 1.00 0.00 N ATOM 514 CA SER A 33 -11.161 -0.125 3.182 1.00 0.00 C ATOM 515 C SER A 33 -11.409 -1.047 1.990 1.00 0.00 C ATOM 516 O SER A 33 -12.031 -2.099 2.137 1.00 0.00 O ATOM 517 CB SER A 33 -12.454 0.609 3.528 1.00 0.00 C ATOM 518 OG SER A 33 -13.443 -0.338 3.915 1.00 0.00 O ATOM 0 H SER A 33 -10.379 1.818 2.998 1.00 0.00 H new ATOM 0 HA SER A 33 -10.839 -0.735 4.026 1.00 0.00 H new ATOM 0 HB2 SER A 33 -12.278 1.319 4.336 1.00 0.00 H new ATOM 0 HB3 SER A 33 -12.801 1.184 2.669 1.00 0.00 H new ATOM 0 HG SER A 33 -13.418 -0.458 4.887 1.00 0.00 H new ATOM 524 N SER A 34 -10.939 -0.651 0.810 1.00 0.00 N ATOM 525 CA SER A 34 -11.142 -1.459 -0.388 1.00 0.00 C ATOM 526 C SER A 34 -10.123 -2.588 -0.490 1.00 0.00 C ATOM 527 O SER A 34 -10.334 -3.557 -1.222 1.00 0.00 O ATOM 528 CB SER A 34 -11.010 -0.571 -1.626 1.00 0.00 C ATOM 529 OG SER A 34 -12.056 0.387 -1.634 1.00 0.00 O ATOM 0 H SER A 34 -10.421 0.214 0.659 1.00 0.00 H new ATOM 0 HA SER A 34 -12.138 -1.898 -0.326 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.043 -0.069 -1.625 1.00 0.00 H new ATOM 0 HB3 SER A 34 -11.053 -1.179 -2.529 1.00 0.00 H new ATOM 0 HG SER A 34 -11.971 0.958 -2.426 1.00 0.00 H new ATOM 535 N GLY A 35 -9.012 -2.456 0.222 1.00 0.00 N ATOM 536 CA GLY A 35 -7.967 -3.468 0.160 1.00 0.00 C ATOM 537 C GLY A 35 -7.234 -3.338 -1.163 1.00 0.00 C ATOM 538 O GLY A 35 -6.163 -3.904 -1.359 1.00 0.00 O ATOM 0 H GLY A 35 -8.813 -1.670 0.841 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.272 -3.343 0.990 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.400 -4.464 0.254 1.00 0.00 H new ATOM 542 N MET A 36 -7.827 -2.552 -2.050 1.00 0.00 N ATOM 543 CA MET A 36 -7.264 -2.295 -3.359 1.00 0.00 C ATOM 544 C MET A 36 -5.960 -1.510 -3.238 1.00 0.00 C ATOM 545 O MET A 36 -5.057 -1.656 -4.061 1.00 0.00 O ATOM 546 CB MET A 36 -8.277 -1.505 -4.195 1.00 0.00 C ATOM 547 CG MET A 36 -9.466 -2.398 -4.552 1.00 0.00 C ATOM 548 SD MET A 36 -10.733 -1.405 -5.377 1.00 0.00 S ATOM 549 CE MET A 36 -11.422 -2.722 -6.404 1.00 0.00 C ATOM 0 H MET A 36 -8.713 -2.076 -1.878 1.00 0.00 H new ATOM 0 HA MET A 36 -7.046 -3.245 -3.847 1.00 0.00 H new ATOM 0 HB2 MET A 36 -8.620 -0.633 -3.638 1.00 0.00 H new ATOM 0 HB3 MET A 36 -7.802 -1.136 -5.104 1.00 0.00 H new ATOM 0 HG2 MET A 36 -9.143 -3.210 -5.203 1.00 0.00 H new ATOM 0 HG3 MET A 36 -9.875 -2.855 -3.651 1.00 0.00 H new ATOM 0 HE1 MET A 36 -11.180 -2.533 -7.450 1.00 0.00 H new ATOM 0 HE2 MET A 36 -10.998 -3.679 -6.101 1.00 0.00 H new ATOM 0 HE3 MET A 36 -12.505 -2.750 -6.282 1.00 0.00 H new ATOM 559 N ALA A 37 -5.877 -0.667 -2.216 1.00 0.00 N ATOM 560 CA ALA A 37 -4.683 0.150 -2.011 1.00 0.00 C ATOM 561 C ALA A 37 -3.431 -0.720 -1.856 1.00 0.00 C ATOM 562 O ALA A 37 -2.440 -0.510 -2.553 1.00 0.00 O ATOM 563 CB ALA A 37 -4.861 1.034 -0.775 1.00 0.00 C ATOM 0 H ALA A 37 -6.612 -0.530 -1.522 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.550 0.779 -2.891 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.967 1.640 -0.629 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -5.723 1.687 -0.916 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -5.021 0.406 0.101 1.00 0.00 H new ATOM 569 N PHE A 38 -3.468 -1.680 -0.931 1.00 0.00 N ATOM 570 CA PHE A 38 -2.305 -2.543 -0.701 1.00 0.00 C ATOM 571 C PHE A 38 -1.888 -3.261 -1.984 1.00 0.00 C ATOM 572 O PHE A 38 -0.710 -3.322 -2.315 1.00 0.00 O ATOM 573 CB PHE A 38 -2.615 -3.583 0.405 1.00 0.00 C ATOM 574 CG PHE A 38 -2.221 -3.040 1.765 1.00 0.00 C ATOM 575 CD1 PHE A 38 -0.864 -2.888 2.076 1.00 0.00 C ATOM 576 CD2 PHE A 38 -3.198 -2.694 2.706 1.00 0.00 C ATOM 577 CE1 PHE A 38 -0.484 -2.392 3.328 1.00 0.00 C ATOM 578 CE2 PHE A 38 -2.811 -2.198 3.961 1.00 0.00 C ATOM 579 CZ PHE A 38 -1.458 -2.048 4.268 1.00 0.00 C ATOM 0 H PHE A 38 -4.274 -1.879 -0.338 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.479 -1.910 -0.377 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.677 -3.826 0.397 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.075 -4.508 0.205 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -0.111 -3.154 1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -4.245 -2.808 2.467 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.563 -2.275 3.567 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.562 -1.932 4.690 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.164 -1.665 5.234 1.00 0.00 H new ATOM 589 N CYS A 39 -2.856 -3.802 -2.702 1.00 0.00 N ATOM 590 CA CYS A 39 -2.553 -4.509 -3.943 1.00 0.00 C ATOM 591 C CYS A 39 -2.020 -3.556 -5.012 1.00 0.00 C ATOM 592 O CYS A 39 -1.053 -3.865 -5.709 1.00 0.00 O ATOM 593 CB CYS A 39 -3.822 -5.212 -4.464 1.00 0.00 C ATOM 594 SG CYS A 39 -3.854 -6.929 -3.888 1.00 0.00 S ATOM 0 H CYS A 39 -3.845 -3.769 -2.456 1.00 0.00 H new ATOM 0 HA CYS A 39 -1.780 -5.248 -3.730 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.710 -4.685 -4.115 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -3.843 -5.184 -5.553 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.399 -6.981 -2.709 1.00 0.00 H new ATOM 600 N ALA A 40 -2.679 -2.417 -5.145 1.00 0.00 N ATOM 601 CA ALA A 40 -2.312 -1.423 -6.148 1.00 0.00 C ATOM 602 C ALA A 40 -0.903 -0.871 -5.935 1.00 0.00 C ATOM 603 O ALA A 40 -0.143 -0.702 -6.887 1.00 0.00 O ATOM 604 CB ALA A 40 -3.311 -0.270 -6.087 1.00 0.00 C ATOM 0 H ALA A 40 -3.477 -2.154 -4.567 1.00 0.00 H new ATOM 0 HA ALA A 40 -2.330 -1.912 -7.122 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.047 0.480 -6.833 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.314 -0.646 -6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.286 0.181 -5.095 1.00 0.00 H new ATOM 610 N LEU A 41 -0.569 -0.579 -4.687 1.00 0.00 N ATOM 611 CA LEU A 41 0.742 -0.025 -4.360 1.00 0.00 C ATOM 612 C LEU A 41 1.858 -1.031 -4.662 1.00 0.00 C ATOM 613 O LEU A 41 2.892 -0.679 -5.231 1.00 0.00 O ATOM 614 CB LEU A 41 0.749 0.365 -2.877 1.00 0.00 C ATOM 615 CG LEU A 41 2.078 1.016 -2.477 1.00 0.00 C ATOM 616 CD1 LEU A 41 2.302 2.313 -3.270 1.00 0.00 C ATOM 617 CD2 LEU A 41 2.034 1.331 -0.979 1.00 0.00 C ATOM 0 H LEU A 41 -1.183 -0.715 -3.884 1.00 0.00 H new ATOM 0 HA LEU A 41 0.928 0.855 -4.975 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.071 1.055 -2.677 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.577 -0.521 -2.265 1.00 0.00 H new ATOM 0 HG LEU A 41 2.898 0.332 -2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 41 3.250 2.762 -2.973 1.00 0.00 H new ATOM 0 HD12 LEU A 41 2.325 2.088 -4.336 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.490 3.010 -3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.973 1.795 -0.677 1.00 0.00 H new ATOM 0 HD22 LEU A 41 1.209 2.014 -0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 41 1.888 0.408 -0.417 1.00 0.00 H new ATOM 629 N ILE A 42 1.630 -2.283 -4.285 1.00 0.00 N ATOM 630 CA ILE A 42 2.604 -3.350 -4.515 1.00 0.00 C ATOM 631 C ILE A 42 2.812 -3.613 -6.011 1.00 0.00 C ATOM 632 O ILE A 42 3.934 -3.819 -6.460 1.00 0.00 O ATOM 633 CB ILE A 42 2.106 -4.636 -3.818 1.00 0.00 C ATOM 634 CG1 ILE A 42 2.162 -4.453 -2.289 1.00 0.00 C ATOM 635 CG2 ILE A 42 2.939 -5.862 -4.220 1.00 0.00 C ATOM 636 CD1 ILE A 42 3.610 -4.237 -1.794 1.00 0.00 C ATOM 0 H ILE A 42 0.777 -2.588 -3.817 1.00 0.00 H new ATOM 0 HA ILE A 42 3.564 -3.041 -4.101 1.00 0.00 H new ATOM 0 HB ILE A 42 1.078 -4.810 -4.137 1.00 0.00 H new ATOM 0 HG12 ILE A 42 1.548 -3.600 -2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.737 -5.330 -1.801 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.557 -6.745 -3.708 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.872 -6.010 -5.298 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.980 -5.702 -3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 42 3.609 -4.112 -0.711 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.218 -5.102 -2.059 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.025 -3.345 -2.262 1.00 0.00 H new ATOM 648 N HIS A 43 1.723 -3.626 -6.762 1.00 0.00 N ATOM 649 CA HIS A 43 1.791 -3.906 -8.197 1.00 0.00 C ATOM 650 C HIS A 43 2.788 -2.981 -8.898 1.00 0.00 C ATOM 651 O HIS A 43 3.614 -3.428 -9.693 1.00 0.00 O ATOM 652 CB HIS A 43 0.397 -3.716 -8.805 1.00 0.00 C ATOM 653 CG HIS A 43 0.434 -4.001 -10.281 1.00 0.00 C ATOM 654 ND1 HIS A 43 0.018 -3.073 -11.224 1.00 0.00 N ATOM 655 CD2 HIS A 43 0.817 -5.113 -10.992 1.00 0.00 C ATOM 656 CE1 HIS A 43 0.158 -3.638 -12.438 1.00 0.00 C ATOM 657 NE2 HIS A 43 0.640 -4.879 -12.353 1.00 0.00 N ATOM 0 H HIS A 43 0.783 -3.447 -6.409 1.00 0.00 H new ATOM 0 HA HIS A 43 2.131 -4.932 -8.337 1.00 0.00 H new ATOM 0 HB2 HIS A 43 -0.315 -4.381 -8.316 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.052 -2.697 -8.632 1.00 0.00 H new ATOM 0 HD2 HIS A 43 1.197 -6.028 -10.561 1.00 0.00 H new ATOM 0 HE1 HIS A 43 -0.090 -3.147 -13.367 1.00 0.00 H new ATOM 0 HE2 HIS A 43 0.837 -5.520 -13.122 1.00 0.00 H new ATOM 665 N LYS A 44 2.689 -1.695 -8.604 1.00 0.00 N ATOM 666 CA LYS A 44 3.561 -0.695 -9.223 1.00 0.00 C ATOM 667 C LYS A 44 5.014 -1.187 -9.266 1.00 0.00 C ATOM 668 O LYS A 44 5.767 -0.880 -10.186 1.00 0.00 O ATOM 669 CB LYS A 44 3.502 0.608 -8.391 1.00 0.00 C ATOM 670 CG LYS A 44 3.707 1.832 -9.292 1.00 0.00 C ATOM 671 CD LYS A 44 5.012 1.707 -10.081 1.00 0.00 C ATOM 672 CE LYS A 44 5.429 3.076 -10.614 1.00 0.00 C ATOM 673 NZ LYS A 44 6.375 2.897 -11.749 1.00 0.00 N ATOM 0 H LYS A 44 2.015 -1.313 -7.941 1.00 0.00 H new ATOM 0 HA LYS A 44 3.219 -0.519 -10.243 1.00 0.00 H new ATOM 0 HB2 LYS A 44 2.540 0.679 -7.884 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.269 0.587 -7.617 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.867 1.928 -9.980 1.00 0.00 H new ATOM 0 HG3 LYS A 44 3.728 2.737 -8.686 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.796 1.301 -9.442 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.882 1.009 -10.908 1.00 0.00 H new ATOM 0 HE2 LYS A 44 4.552 3.634 -10.942 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.900 3.659 -9.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 6.660 3.828 -12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.216 2.381 -11.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.910 2.356 -12.506 1.00 0.00 H new ATOM 687 N PHE A 45 5.406 -1.943 -8.254 1.00 0.00 N ATOM 688 CA PHE A 45 6.778 -2.443 -8.166 1.00 0.00 C ATOM 689 C PHE A 45 6.930 -3.823 -8.800 1.00 0.00 C ATOM 690 O PHE A 45 8.026 -4.204 -9.210 1.00 0.00 O ATOM 691 CB PHE A 45 7.182 -2.508 -6.692 1.00 0.00 C ATOM 692 CG PHE A 45 6.609 -1.319 -5.940 1.00 0.00 C ATOM 693 CD1 PHE A 45 6.721 -0.021 -6.466 1.00 0.00 C ATOM 694 CD2 PHE A 45 5.967 -1.519 -4.711 1.00 0.00 C ATOM 695 CE1 PHE A 45 6.192 1.067 -5.759 1.00 0.00 C ATOM 696 CE2 PHE A 45 5.441 -0.432 -4.010 1.00 0.00 C ATOM 697 CZ PHE A 45 5.554 0.862 -4.531 1.00 0.00 C ATOM 0 H PHE A 45 4.801 -2.226 -7.483 1.00 0.00 H new ATOM 0 HA PHE A 45 7.426 -1.761 -8.716 1.00 0.00 H new ATOM 0 HB2 PHE A 45 6.822 -3.436 -6.249 1.00 0.00 H new ATOM 0 HB3 PHE A 45 8.268 -2.514 -6.605 1.00 0.00 H new ATOM 0 HD1 PHE A 45 7.214 0.138 -7.414 1.00 0.00 H new ATOM 0 HD2 PHE A 45 5.879 -2.516 -4.305 1.00 0.00 H new ATOM 0 HE1 PHE A 45 6.277 2.065 -6.163 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.946 -0.590 -3.063 1.00 0.00 H new ATOM 0 HZ PHE A 45 5.149 1.702 -3.986 1.00 0.00 H new ATOM 707 N PHE A 46 5.840 -4.583 -8.849 1.00 0.00 N ATOM 708 CA PHE A 46 5.876 -5.941 -9.393 1.00 0.00 C ATOM 709 C PHE A 46 4.822 -6.131 -10.499 1.00 0.00 C ATOM 710 O PHE A 46 3.645 -6.302 -10.203 1.00 0.00 O ATOM 711 CB PHE A 46 5.611 -6.901 -8.238 1.00 0.00 C ATOM 712 CG PHE A 46 6.593 -6.592 -7.133 1.00 0.00 C ATOM 713 CD1 PHE A 46 7.936 -6.938 -7.279 1.00 0.00 C ATOM 714 CD2 PHE A 46 6.162 -5.944 -5.974 1.00 0.00 C ATOM 715 CE1 PHE A 46 8.849 -6.641 -6.263 1.00 0.00 C ATOM 716 CE2 PHE A 46 7.071 -5.643 -4.954 1.00 0.00 C ATOM 717 CZ PHE A 46 8.413 -5.993 -5.099 1.00 0.00 C ATOM 0 H PHE A 46 4.922 -4.285 -8.520 1.00 0.00 H new ATOM 0 HA PHE A 46 6.849 -6.134 -9.845 1.00 0.00 H new ATOM 0 HB2 PHE A 46 4.588 -6.791 -7.879 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.723 -7.934 -8.569 1.00 0.00 H new ATOM 0 HD1 PHE A 46 8.271 -7.436 -8.177 1.00 0.00 H new ATOM 0 HD2 PHE A 46 5.122 -5.674 -5.864 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.889 -6.910 -6.375 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.735 -5.142 -4.058 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.118 -5.764 -4.313 1.00 0.00 H new ATOM 727 N PRO A 47 5.195 -6.096 -11.769 1.00 0.00 N ATOM 728 CA PRO A 47 4.214 -6.288 -12.882 1.00 0.00 C ATOM 729 C PRO A 47 3.861 -7.767 -13.075 1.00 0.00 C ATOM 730 O PRO A 47 2.714 -8.117 -13.341 1.00 0.00 O ATOM 731 CB PRO A 47 4.935 -5.743 -14.141 1.00 0.00 C ATOM 732 CG PRO A 47 6.302 -5.293 -13.693 1.00 0.00 C ATOM 733 CD PRO A 47 6.547 -5.866 -12.295 1.00 0.00 C ATOM 0 HA PRO A 47 3.274 -5.776 -12.677 1.00 0.00 H new ATOM 0 HB2 PRO A 47 5.013 -6.514 -14.907 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.378 -4.914 -14.578 1.00 0.00 H new ATOM 0 HG2 PRO A 47 7.066 -5.641 -14.388 1.00 0.00 H new ATOM 0 HG3 PRO A 47 6.359 -4.205 -13.675 1.00 0.00 H new ATOM 0 HD2 PRO A 47 7.123 -6.791 -12.337 1.00 0.00 H new ATOM 0 HD3 PRO A 47 7.107 -5.170 -11.670 1.00 0.00 H new ATOM 741 N GLU A 48 4.870 -8.620 -12.938 1.00 0.00 N ATOM 742 CA GLU A 48 4.670 -10.051 -13.093 1.00 0.00 C ATOM 743 C GLU A 48 3.817 -10.568 -11.946 1.00 0.00 C ATOM 744 O GLU A 48 3.004 -11.482 -12.110 1.00 0.00 O ATOM 745 CB GLU A 48 6.028 -10.772 -13.106 1.00 0.00 C ATOM 746 CG GLU A 48 6.802 -10.390 -14.372 1.00 0.00 C ATOM 747 CD GLU A 48 8.179 -11.051 -14.371 1.00 0.00 C ATOM 748 OE1 GLU A 48 8.799 -11.086 -13.320 1.00 0.00 O ATOM 749 OE2 GLU A 48 8.595 -11.513 -15.422 1.00 0.00 O ATOM 0 H GLU A 48 5.828 -8.345 -12.721 1.00 0.00 H new ATOM 0 HA GLU A 48 4.161 -10.245 -14.037 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.603 -10.501 -12.221 1.00 0.00 H new ATOM 0 HB3 GLU A 48 5.878 -11.851 -13.071 1.00 0.00 H new ATOM 0 HG2 GLU A 48 6.243 -10.699 -15.255 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.911 -9.307 -14.427 1.00 0.00 H new ATOM 756 N ALA A 49 4.026 -9.959 -10.786 1.00 0.00 N ATOM 757 CA ALA A 49 3.303 -10.332 -9.563 1.00 0.00 C ATOM 758 C ALA A 49 1.879 -10.770 -9.862 1.00 0.00 C ATOM 759 O ALA A 49 1.513 -11.928 -9.670 1.00 0.00 O ATOM 760 CB ALA A 49 3.253 -9.119 -8.619 1.00 0.00 C ATOM 0 H ALA A 49 4.694 -9.198 -10.660 1.00 0.00 H new ATOM 0 HA ALA A 49 3.831 -11.167 -9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.718 -9.388 -7.709 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.268 -8.813 -8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.738 -8.295 -9.113 1.00 0.00 H new ATOM 766 N PHE A 50 1.090 -9.822 -10.339 1.00 0.00 N ATOM 767 CA PHE A 50 -0.288 -10.076 -10.671 1.00 0.00 C ATOM 768 C PHE A 50 -0.858 -8.880 -11.416 1.00 0.00 C ATOM 769 O PHE A 50 -0.313 -7.776 -11.350 1.00 0.00 O ATOM 770 CB PHE A 50 -1.112 -10.340 -9.409 1.00 0.00 C ATOM 771 CG PHE A 50 -0.991 -9.169 -8.457 1.00 0.00 C ATOM 772 CD1 PHE A 50 -1.731 -7.999 -8.682 1.00 0.00 C ATOM 773 CD2 PHE A 50 -0.143 -9.253 -7.345 1.00 0.00 C ATOM 774 CE1 PHE A 50 -1.619 -6.918 -7.798 1.00 0.00 C ATOM 775 CE2 PHE A 50 -0.034 -8.170 -6.462 1.00 0.00 C ATOM 776 CZ PHE A 50 -0.769 -7.004 -6.689 1.00 0.00 C ATOM 0 H PHE A 50 1.391 -8.862 -10.504 1.00 0.00 H new ATOM 0 HA PHE A 50 -0.337 -10.962 -11.304 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.158 -10.497 -9.674 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.766 -11.252 -8.923 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.387 -7.931 -9.537 1.00 0.00 H new ATOM 0 HD2 PHE A 50 0.427 -10.153 -7.168 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.189 -6.017 -7.972 1.00 0.00 H new ATOM 0 HE2 PHE A 50 0.619 -8.237 -5.605 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.682 -6.169 -6.009 1.00 0.00 H new ATOM 786 N ASP A 51 -1.971 -9.095 -12.100 1.00 0.00 N ATOM 787 CA ASP A 51 -2.631 -8.020 -12.832 1.00 0.00 C ATOM 788 C ASP A 51 -3.688 -7.376 -11.938 1.00 0.00 C ATOM 789 O ASP A 51 -4.719 -7.979 -11.648 1.00 0.00 O ATOM 790 CB ASP A 51 -3.281 -8.573 -14.103 1.00 0.00 C ATOM 791 CG ASP A 51 -4.180 -7.515 -14.743 1.00 0.00 C ATOM 792 OD1 ASP A 51 -4.114 -6.373 -14.317 1.00 0.00 O ATOM 793 OD2 ASP A 51 -4.921 -7.861 -15.647 1.00 0.00 O ATOM 0 H ASP A 51 -2.437 -10.000 -12.165 1.00 0.00 H new ATOM 0 HA ASP A 51 -1.894 -7.269 -13.117 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -2.510 -8.881 -14.810 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -3.866 -9.461 -13.864 1.00 0.00 H new ATOM 798 N TYR A 52 -3.419 -6.154 -11.498 1.00 0.00 N ATOM 799 CA TYR A 52 -4.341 -5.433 -10.630 1.00 0.00 C ATOM 800 C TYR A 52 -5.628 -5.106 -11.357 1.00 0.00 C ATOM 801 O TYR A 52 -6.636 -4.771 -10.737 1.00 0.00 O ATOM 802 CB TYR A 52 -3.697 -4.127 -10.167 1.00 0.00 C ATOM 803 CG TYR A 52 -4.723 -3.249 -9.478 1.00 0.00 C ATOM 804 CD1 TYR A 52 -5.520 -2.382 -10.239 1.00 0.00 C ATOM 805 CD2 TYR A 52 -4.888 -3.312 -8.092 1.00 0.00 C ATOM 806 CE1 TYR A 52 -6.479 -1.577 -9.611 1.00 0.00 C ATOM 807 CE2 TYR A 52 -5.848 -2.507 -7.464 1.00 0.00 C ATOM 808 CZ TYR A 52 -6.642 -1.640 -8.223 1.00 0.00 C ATOM 809 OH TYR A 52 -7.586 -0.848 -7.604 1.00 0.00 O ATOM 0 H TYR A 52 -2.568 -5.640 -11.728 1.00 0.00 H new ATOM 0 HA TYR A 52 -4.567 -6.070 -9.775 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -2.875 -4.341 -9.484 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -3.273 -3.600 -11.022 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -5.394 -2.335 -11.311 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -4.276 -3.981 -7.505 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -7.092 -0.909 -10.198 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.975 -2.556 -6.393 1.00 0.00 H new ATOM 0 HH TYR A 52 -8.319 -1.409 -7.276 1.00 0.00 H new ATOM 819 N ALA A 53 -5.590 -5.201 -12.670 1.00 0.00 N ATOM 820 CA ALA A 53 -6.764 -4.903 -13.475 1.00 0.00 C ATOM 821 C ALA A 53 -7.706 -6.096 -13.506 1.00 0.00 C ATOM 822 O ALA A 53 -8.893 -5.952 -13.807 1.00 0.00 O ATOM 823 CB ALA A 53 -6.332 -4.551 -14.898 1.00 0.00 C ATOM 0 H ALA A 53 -4.766 -5.480 -13.203 1.00 0.00 H new ATOM 0 HA ALA A 53 -7.288 -4.057 -13.031 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -7.212 -4.328 -15.501 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -5.678 -3.679 -14.875 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.797 -5.394 -15.335 1.00 0.00 H new ATOM 829 N GLU A 54 -7.176 -7.279 -13.212 1.00 0.00 N ATOM 830 CA GLU A 54 -7.973 -8.496 -13.221 1.00 0.00 C ATOM 831 C GLU A 54 -8.740 -8.646 -11.920 1.00 0.00 C ATOM 832 O GLU A 54 -9.672 -9.451 -11.828 1.00 0.00 O ATOM 833 CB GLU A 54 -7.028 -9.695 -13.385 1.00 0.00 C ATOM 834 CG GLU A 54 -7.709 -10.809 -14.193 1.00 0.00 C ATOM 835 CD GLU A 54 -7.597 -10.521 -15.686 1.00 0.00 C ATOM 836 OE1 GLU A 54 -7.758 -9.372 -16.060 1.00 0.00 O ATOM 837 OE2 GLU A 54 -7.346 -11.454 -16.432 1.00 0.00 O ATOM 0 H GLU A 54 -6.196 -7.419 -12.965 1.00 0.00 H new ATOM 0 HA GLU A 54 -8.688 -8.449 -14.043 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.114 -9.379 -13.888 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.738 -10.074 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.246 -11.769 -13.965 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -8.758 -10.886 -13.908 1.00 0.00 H new ATOM 844 N LEU A 55 -8.333 -7.889 -10.907 1.00 0.00 N ATOM 845 CA LEU A 55 -8.977 -7.966 -9.607 1.00 0.00 C ATOM 846 C LEU A 55 -10.417 -7.463 -9.677 1.00 0.00 C ATOM 847 O LEU A 55 -10.879 -7.006 -10.724 1.00 0.00 O ATOM 848 CB LEU A 55 -8.170 -7.131 -8.616 1.00 0.00 C ATOM 849 CG LEU A 55 -6.768 -7.751 -8.451 1.00 0.00 C ATOM 850 CD1 LEU A 55 -5.881 -6.813 -7.622 1.00 0.00 C ATOM 851 CD2 LEU A 55 -6.870 -9.126 -7.754 1.00 0.00 C ATOM 0 H LEU A 55 -7.565 -7.220 -10.963 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.009 -9.006 -9.281 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.087 -6.104 -8.971 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.680 -7.095 -7.653 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.325 -7.889 -9.437 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.891 -7.255 -7.508 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -5.793 -5.852 -8.130 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.328 -6.664 -6.639 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.873 -9.553 -7.644 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.323 -9.003 -6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.486 -9.794 -8.356 1.00 0.00 H new ATOM 863 N ASP A 56 -11.122 -7.564 -8.548 1.00 0.00 N ATOM 864 CA ASP A 56 -12.509 -7.134 -8.477 1.00 0.00 C ATOM 865 C ASP A 56 -12.885 -6.799 -7.019 1.00 0.00 C ATOM 866 O ASP A 56 -12.448 -7.487 -6.095 1.00 0.00 O ATOM 867 CB ASP A 56 -13.410 -8.267 -9.008 1.00 0.00 C ATOM 868 CG ASP A 56 -13.749 -8.043 -10.482 1.00 0.00 C ATOM 869 OD1 ASP A 56 -12.887 -8.285 -11.311 1.00 0.00 O ATOM 870 OD2 ASP A 56 -14.864 -7.634 -10.754 1.00 0.00 O ATOM 0 H ASP A 56 -10.751 -7.940 -7.675 1.00 0.00 H new ATOM 0 HA ASP A 56 -12.647 -6.239 -9.084 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.906 -9.226 -8.887 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.328 -8.313 -8.422 1.00 0.00 H new ATOM 875 N PRO A 57 -13.681 -5.771 -6.791 1.00 0.00 N ATOM 876 CA PRO A 57 -14.092 -5.380 -5.412 1.00 0.00 C ATOM 877 C PRO A 57 -14.677 -6.584 -4.684 1.00 0.00 C ATOM 878 O PRO A 57 -14.883 -6.563 -3.472 1.00 0.00 O ATOM 879 CB PRO A 57 -15.167 -4.281 -5.611 1.00 0.00 C ATOM 880 CG PRO A 57 -15.375 -4.122 -7.094 1.00 0.00 C ATOM 881 CD PRO A 57 -14.254 -4.885 -7.814 1.00 0.00 C ATOM 0 HA PRO A 57 -13.256 -5.022 -4.812 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -16.099 -4.562 -5.120 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -14.842 -3.341 -5.165 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -16.350 -4.512 -7.386 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -15.357 -3.068 -7.371 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -14.643 -5.455 -8.657 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -13.503 -4.202 -8.211 1.00 0.00 H new ATOM 889 N ALA A 58 -14.955 -7.628 -5.454 1.00 0.00 N ATOM 890 CA ALA A 58 -15.526 -8.852 -4.911 1.00 0.00 C ATOM 891 C ALA A 58 -14.417 -9.773 -4.421 1.00 0.00 C ATOM 892 O ALA A 58 -14.672 -10.789 -3.775 1.00 0.00 O ATOM 893 CB ALA A 58 -16.331 -9.559 -6.000 1.00 0.00 C ATOM 0 H ALA A 58 -14.793 -7.651 -6.461 1.00 0.00 H new ATOM 0 HA ALA A 58 -16.177 -8.603 -4.073 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -16.760 -10.476 -5.597 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -17.132 -8.904 -6.344 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -15.676 -9.802 -6.837 1.00 0.00 H new ATOM 899 N LYS A 59 -13.181 -9.411 -4.761 1.00 0.00 N ATOM 900 CA LYS A 59 -12.008 -10.203 -4.387 1.00 0.00 C ATOM 901 C LYS A 59 -11.160 -9.476 -3.343 1.00 0.00 C ATOM 902 O LYS A 59 -9.937 -9.423 -3.460 1.00 0.00 O ATOM 903 CB LYS A 59 -11.162 -10.454 -5.643 1.00 0.00 C ATOM 904 CG LYS A 59 -11.989 -11.228 -6.691 1.00 0.00 C ATOM 905 CD LYS A 59 -11.881 -12.746 -6.440 1.00 0.00 C ATOM 906 CE LYS A 59 -10.650 -13.303 -7.162 1.00 0.00 C ATOM 907 NZ LYS A 59 -10.965 -13.467 -8.609 1.00 0.00 N ATOM 0 H LYS A 59 -12.964 -8.571 -5.297 1.00 0.00 H new ATOM 0 HA LYS A 59 -12.344 -11.146 -3.955 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.827 -9.505 -6.061 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.268 -11.021 -5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.033 -10.917 -6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.632 -10.992 -7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.807 -12.943 -5.371 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.781 -13.248 -6.795 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -9.803 -12.629 -7.036 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -10.362 -14.261 -6.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.226 -14.042 -9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -11.885 -13.941 -8.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.004 -12.533 -9.064 1.00 0.00 H new ATOM 921 N ARG A 60 -11.811 -8.923 -2.324 1.00 0.00 N ATOM 922 CA ARG A 60 -11.095 -8.202 -1.267 1.00 0.00 C ATOM 923 C ARG A 60 -10.217 -9.132 -0.426 1.00 0.00 C ATOM 924 O ARG A 60 -9.037 -8.872 -0.230 1.00 0.00 O ATOM 925 CB ARG A 60 -12.103 -7.481 -0.369 1.00 0.00 C ATOM 926 CG ARG A 60 -12.691 -6.292 -1.129 1.00 0.00 C ATOM 927 CD ARG A 60 -13.843 -5.684 -0.330 1.00 0.00 C ATOM 928 NE ARG A 60 -13.346 -5.134 0.925 1.00 0.00 N ATOM 929 CZ ARG A 60 -14.179 -4.680 1.855 1.00 0.00 C ATOM 930 NH1 ARG A 60 -15.139 -5.443 2.299 1.00 0.00 N ATOM 931 NH2 ARG A 60 -14.034 -3.473 2.327 1.00 0.00 N ATOM 0 H ARG A 60 -12.823 -8.957 -2.204 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.435 -7.479 -1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -12.897 -8.166 -0.070 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -11.616 -7.139 0.544 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -11.920 -5.541 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -13.046 -6.614 -2.108 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -14.327 -4.900 -0.913 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -14.598 -6.444 -0.129 1.00 0.00 H new ATOM 0 HE ARG A 60 -12.340 -5.097 1.092 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -15.250 -6.388 1.932 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -15.779 -5.094 3.013 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -13.281 -2.878 1.982 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -14.674 -3.124 3.041 1.00 0.00 H new ATOM 945 N ARG A 61 -10.796 -10.203 0.085 1.00 0.00 N ATOM 946 CA ARG A 61 -10.041 -11.132 0.931 1.00 0.00 C ATOM 947 C ARG A 61 -8.765 -11.557 0.215 1.00 0.00 C ATOM 948 O ARG A 61 -7.674 -11.560 0.791 1.00 0.00 O ATOM 949 CB ARG A 61 -10.887 -12.386 1.216 1.00 0.00 C ATOM 950 CG ARG A 61 -12.372 -12.024 1.195 1.00 0.00 C ATOM 951 CD ARG A 61 -13.193 -13.242 1.589 1.00 0.00 C ATOM 952 NE ARG A 61 -12.988 -13.547 3.000 1.00 0.00 N ATOM 953 CZ ARG A 61 -13.048 -14.794 3.457 1.00 0.00 C ATOM 954 NH1 ARG A 61 -12.180 -15.677 3.048 1.00 0.00 N ATOM 955 NH2 ARG A 61 -13.978 -15.134 4.306 1.00 0.00 N ATOM 0 H ARG A 61 -11.773 -10.456 -0.063 1.00 0.00 H new ATOM 0 HA ARG A 61 -9.794 -10.632 1.868 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -10.680 -13.153 0.470 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.619 -12.804 2.186 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.567 -11.202 1.883 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.661 -11.683 0.201 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -14.250 -13.055 1.399 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.905 -14.098 0.978 1.00 0.00 H new ATOM 0 HE ARG A 61 -12.794 -12.786 3.651 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.458 -15.410 2.379 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -12.224 -16.634 3.397 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -14.660 -14.443 4.620 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -14.024 -16.091 4.656 1.00 0.00 H new ATOM 969 N HIS A 62 -8.928 -11.916 -1.047 1.00 0.00 N ATOM 970 CA HIS A 62 -7.815 -12.348 -1.866 1.00 0.00 C ATOM 971 C HIS A 62 -6.853 -11.189 -2.112 1.00 0.00 C ATOM 972 O HIS A 62 -5.648 -11.383 -2.216 1.00 0.00 O ATOM 973 CB HIS A 62 -8.347 -12.873 -3.196 1.00 0.00 C ATOM 974 CG HIS A 62 -9.048 -14.190 -2.978 1.00 0.00 C ATOM 975 ND1 HIS A 62 -8.394 -15.407 -3.093 1.00 0.00 N ATOM 976 CD2 HIS A 62 -10.349 -14.495 -2.656 1.00 0.00 C ATOM 977 CE1 HIS A 62 -9.294 -16.378 -2.845 1.00 0.00 C ATOM 978 NE2 HIS A 62 -10.501 -15.876 -2.572 1.00 0.00 N ATOM 0 H HIS A 62 -9.828 -11.916 -1.527 1.00 0.00 H new ATOM 0 HA HIS A 62 -7.274 -13.140 -1.348 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -9.036 -12.151 -3.633 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -7.527 -12.999 -3.903 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -11.135 -13.772 -2.493 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -9.067 -17.434 -2.865 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -11.351 -16.393 -2.350 1.00 0.00 H new ATOM 986 N ASN A 63 -7.406 -9.984 -2.206 1.00 0.00 N ATOM 987 CA ASN A 63 -6.597 -8.785 -2.445 1.00 0.00 C ATOM 988 C ASN A 63 -5.613 -8.574 -1.312 1.00 0.00 C ATOM 989 O ASN A 63 -4.447 -8.247 -1.536 1.00 0.00 O ATOM 990 CB ASN A 63 -7.513 -7.563 -2.545 1.00 0.00 C ATOM 991 CG ASN A 63 -6.746 -6.340 -3.031 1.00 0.00 C ATOM 992 OD1 ASN A 63 -5.787 -5.915 -2.392 1.00 0.00 O ATOM 993 ND2 ASN A 63 -7.126 -5.740 -4.128 1.00 0.00 N ATOM 0 H ASN A 63 -8.407 -9.808 -2.121 1.00 0.00 H new ATOM 0 HA ASN A 63 -6.045 -8.917 -3.376 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -8.335 -7.776 -3.229 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -7.955 -7.355 -1.570 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -6.626 -4.915 -4.457 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -7.923 -6.097 -4.655 1.00 0.00 H new ATOM 1000 N PHE A 64 -6.079 -8.778 -0.091 1.00 0.00 N ATOM 1001 CA PHE A 64 -5.206 -8.614 1.059 1.00 0.00 C ATOM 1002 C PHE A 64 -4.156 -9.724 1.071 1.00 0.00 C ATOM 1003 O PHE A 64 -2.957 -9.455 1.121 1.00 0.00 O ATOM 1004 CB PHE A 64 -6.022 -8.629 2.360 1.00 0.00 C ATOM 1005 CG PHE A 64 -6.788 -7.327 2.505 1.00 0.00 C ATOM 1006 CD1 PHE A 64 -6.121 -6.161 2.909 1.00 0.00 C ATOM 1007 CD2 PHE A 64 -8.163 -7.285 2.242 1.00 0.00 C ATOM 1008 CE1 PHE A 64 -6.829 -4.960 3.047 1.00 0.00 C ATOM 1009 CE2 PHE A 64 -8.871 -6.084 2.381 1.00 0.00 C ATOM 1010 CZ PHE A 64 -8.203 -4.922 2.781 1.00 0.00 C ATOM 0 H PHE A 64 -7.037 -9.052 0.127 1.00 0.00 H new ATOM 0 HA PHE A 64 -4.701 -7.651 0.987 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.715 -9.470 2.355 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -5.359 -8.768 3.214 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -5.061 -6.189 3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -8.679 -8.181 1.931 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -6.315 -4.063 3.359 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -9.932 -6.055 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 64 -8.747 -3.995 2.885 1.00 0.00 H new ATOM 1020 N THR A 65 -4.615 -10.971 1.015 1.00 0.00 N ATOM 1021 CA THR A 65 -3.689 -12.101 1.020 1.00 0.00 C ATOM 1022 C THR A 65 -2.706 -11.957 -0.131 1.00 0.00 C ATOM 1023 O THR A 65 -1.509 -12.188 0.027 1.00 0.00 O ATOM 1024 CB THR A 65 -4.442 -13.425 0.864 1.00 0.00 C ATOM 1025 OG1 THR A 65 -5.542 -13.460 1.761 1.00 0.00 O ATOM 1026 CG2 THR A 65 -3.490 -14.585 1.174 1.00 0.00 C ATOM 0 H THR A 65 -5.602 -11.223 0.967 1.00 0.00 H new ATOM 0 HA THR A 65 -3.160 -12.105 1.973 1.00 0.00 H new ATOM 0 HB THR A 65 -4.811 -13.516 -0.158 1.00 0.00 H new ATOM 0 HG1 THR A 65 -6.297 -12.970 1.372 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.021 -15.531 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 65 -2.648 -14.559 0.482 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.123 -14.491 2.196 1.00 0.00 H new ATOM 1034 N LEU A 66 -3.229 -11.582 -1.287 1.00 0.00 N ATOM 1035 CA LEU A 66 -2.412 -11.408 -2.476 1.00 0.00 C ATOM 1036 C LEU A 66 -1.369 -10.323 -2.271 1.00 0.00 C ATOM 1037 O LEU A 66 -0.200 -10.505 -2.602 1.00 0.00 O ATOM 1038 CB LEU A 66 -3.327 -11.024 -3.638 1.00 0.00 C ATOM 1039 CG LEU A 66 -2.530 -10.793 -4.929 1.00 0.00 C ATOM 1040 CD1 LEU A 66 -1.881 -12.104 -5.393 1.00 0.00 C ATOM 1041 CD2 LEU A 66 -3.498 -10.291 -6.002 1.00 0.00 C ATOM 0 H LEU A 66 -4.221 -11.391 -1.427 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.889 -12.340 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -4.062 -11.812 -3.799 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.880 -10.120 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.741 -10.061 -4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.318 -11.927 -6.310 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.207 -12.470 -4.619 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.656 -12.847 -5.581 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.954 -10.119 -6.931 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.275 -11.037 -6.169 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -3.956 -9.359 -5.672 1.00 0.00 H new ATOM 1053 N ALA A 67 -1.794 -9.185 -1.746 1.00 0.00 N ATOM 1054 CA ALA A 67 -0.871 -8.093 -1.531 1.00 0.00 C ATOM 1055 C ALA A 67 0.207 -8.509 -0.552 1.00 0.00 C ATOM 1056 O ALA A 67 1.378 -8.158 -0.707 1.00 0.00 O ATOM 1057 CB ALA A 67 -1.609 -6.873 -0.987 1.00 0.00 C ATOM 0 H ALA A 67 -2.757 -8.999 -1.466 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.413 -7.835 -2.486 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.901 -6.059 -0.830 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.370 -6.559 -1.702 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -2.084 -7.128 -0.040 1.00 0.00 H new ATOM 1063 N PHE A 68 -0.197 -9.262 0.460 1.00 0.00 N ATOM 1064 CA PHE A 68 0.743 -9.723 1.466 1.00 0.00 C ATOM 1065 C PHE A 68 1.537 -10.928 0.968 1.00 0.00 C ATOM 1066 O PHE A 68 2.762 -10.955 1.082 1.00 0.00 O ATOM 1067 CB PHE A 68 -0.005 -10.066 2.764 1.00 0.00 C ATOM 1068 CG PHE A 68 -0.638 -8.813 3.356 1.00 0.00 C ATOM 1069 CD1 PHE A 68 0.152 -7.695 3.666 1.00 0.00 C ATOM 1070 CD2 PHE A 68 -2.022 -8.770 3.606 1.00 0.00 C ATOM 1071 CE1 PHE A 68 -0.432 -6.549 4.214 1.00 0.00 C ATOM 1072 CE2 PHE A 68 -2.604 -7.617 4.158 1.00 0.00 C ATOM 1073 CZ PHE A 68 -1.807 -6.507 4.460 1.00 0.00 C ATOM 0 H PHE A 68 -1.161 -9.564 0.605 1.00 0.00 H new ATOM 0 HA PHE A 68 1.452 -8.920 1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.775 -10.810 2.562 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.685 -10.508 3.483 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.216 -7.720 3.480 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.638 -9.626 3.373 1.00 0.00 H new ATOM 0 HE1 PHE A 68 0.182 -5.692 4.448 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.666 -7.587 4.349 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.254 -5.619 4.883 1.00 0.00 H new ATOM 1083 N SER A 69 0.847 -11.919 0.416 1.00 0.00 N ATOM 1084 CA SER A 69 1.526 -13.109 -0.086 1.00 0.00 C ATOM 1085 C SER A 69 2.443 -12.761 -1.255 1.00 0.00 C ATOM 1086 O SER A 69 3.463 -13.420 -1.472 1.00 0.00 O ATOM 1087 CB SER A 69 0.508 -14.158 -0.535 1.00 0.00 C ATOM 1088 OG SER A 69 1.201 -15.330 -0.950 1.00 0.00 O ATOM 0 H SER A 69 -0.167 -11.925 0.305 1.00 0.00 H new ATOM 0 HA SER A 69 2.128 -13.515 0.727 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.174 -14.394 0.282 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.097 -13.769 -1.354 1.00 0.00 H new ATOM 0 HG SER A 69 0.554 -16.008 -1.238 1.00 0.00 H new ATOM 1094 N THR A 70 2.100 -11.702 -1.985 1.00 0.00 N ATOM 1095 CA THR A 70 2.936 -11.274 -3.100 1.00 0.00 C ATOM 1096 C THR A 70 4.148 -10.505 -2.586 1.00 0.00 C ATOM 1097 O THR A 70 5.281 -10.762 -2.997 1.00 0.00 O ATOM 1098 CB THR A 70 2.145 -10.401 -4.075 1.00 0.00 C ATOM 1099 OG1 THR A 70 1.090 -11.163 -4.649 1.00 0.00 O ATOM 1100 CG2 THR A 70 3.081 -9.909 -5.177 1.00 0.00 C ATOM 0 H THR A 70 1.266 -11.136 -1.828 1.00 0.00 H new ATOM 0 HA THR A 70 3.273 -12.165 -3.629 1.00 0.00 H new ATOM 0 HB THR A 70 1.722 -9.548 -3.545 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.261 -11.000 -4.153 1.00 0.00 H new ATOM 0 HG21 THR A 70 2.524 -9.286 -5.876 1.00 0.00 H new ATOM 0 HG22 THR A 70 3.889 -9.326 -4.735 1.00 0.00 H new ATOM 0 HG23 THR A 70 3.500 -10.764 -5.708 1.00 0.00 H new ATOM 1108 N ALA A 71 3.902 -9.562 -1.682 1.00 0.00 N ATOM 1109 CA ALA A 71 4.983 -8.762 -1.119 1.00 0.00 C ATOM 1110 C ALA A 71 5.947 -9.638 -0.326 1.00 0.00 C ATOM 1111 O ALA A 71 7.150 -9.379 -0.298 1.00 0.00 O ATOM 1112 CB ALA A 71 4.421 -7.670 -0.210 1.00 0.00 C ATOM 0 H ALA A 71 2.973 -9.335 -1.327 1.00 0.00 H new ATOM 0 HA ALA A 71 5.524 -8.299 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 71 5.241 -7.082 0.202 1.00 0.00 H new ATOM 0 HB2 ALA A 71 3.762 -7.020 -0.786 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.858 -8.128 0.604 1.00 0.00 H new ATOM 1118 N GLU A 72 5.419 -10.671 0.321 1.00 0.00 N ATOM 1119 CA GLU A 72 6.262 -11.563 1.107 1.00 0.00 C ATOM 1120 C GLU A 72 7.129 -12.427 0.195 1.00 0.00 C ATOM 1121 O GLU A 72 8.333 -12.544 0.397 1.00 0.00 O ATOM 1122 CB GLU A 72 5.397 -12.459 2.001 1.00 0.00 C ATOM 1123 CG GLU A 72 6.296 -13.319 2.900 1.00 0.00 C ATOM 1124 CD GLU A 72 5.445 -14.173 3.834 1.00 0.00 C ATOM 1125 OE1 GLU A 72 4.259 -13.902 3.940 1.00 0.00 O ATOM 1126 OE2 GLU A 72 5.992 -15.082 4.436 1.00 0.00 O ATOM 0 H GLU A 72 4.427 -10.909 0.318 1.00 0.00 H new ATOM 0 HA GLU A 72 6.913 -10.953 1.734 1.00 0.00 H new ATOM 0 HB2 GLU A 72 4.734 -11.847 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 72 4.763 -13.098 1.386 1.00 0.00 H new ATOM 0 HG2 GLU A 72 6.930 -13.959 2.287 1.00 0.00 H new ATOM 0 HG3 GLU A 72 6.958 -12.679 3.483 1.00 0.00 H new ATOM 1133 N LYS A 73 6.522 -13.052 -0.802 1.00 0.00 N ATOM 1134 CA LYS A 73 7.285 -13.912 -1.694 1.00 0.00 C ATOM 1135 C LYS A 73 8.334 -13.105 -2.461 1.00 0.00 C ATOM 1136 O LYS A 73 9.456 -13.566 -2.667 1.00 0.00 O ATOM 1137 CB LYS A 73 6.338 -14.613 -2.679 1.00 0.00 C ATOM 1138 CG LYS A 73 7.094 -15.695 -3.469 1.00 0.00 C ATOM 1139 CD LYS A 73 6.119 -16.454 -4.390 1.00 0.00 C ATOM 1140 CE LYS A 73 6.880 -17.535 -5.171 1.00 0.00 C ATOM 1141 NZ LYS A 73 7.116 -18.712 -4.288 1.00 0.00 N ATOM 0 H LYS A 73 5.526 -12.983 -1.012 1.00 0.00 H new ATOM 0 HA LYS A 73 7.801 -14.662 -1.094 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.507 -15.063 -2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.912 -13.882 -3.366 1.00 0.00 H new ATOM 0 HG2 LYS A 73 7.886 -15.237 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 73 7.573 -16.391 -2.781 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.325 -16.910 -3.798 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.642 -15.760 -5.082 1.00 0.00 H new ATOM 0 HE2 LYS A 73 6.308 -17.835 -6.049 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.830 -17.139 -5.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 7.571 -19.471 -4.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.734 -18.435 -3.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.208 -19.052 -3.913 1.00 0.00 H new ATOM 1155 N LEU A 74 7.954 -11.904 -2.897 1.00 0.00 N ATOM 1156 CA LEU A 74 8.854 -11.049 -3.659 1.00 0.00 C ATOM 1157 C LEU A 74 9.782 -10.211 -2.779 1.00 0.00 C ATOM 1158 O LEU A 74 10.888 -9.881 -3.204 1.00 0.00 O ATOM 1159 CB LEU A 74 8.033 -10.114 -4.556 1.00 0.00 C ATOM 1160 CG LEU A 74 7.355 -10.907 -5.691 1.00 0.00 C ATOM 1161 CD1 LEU A 74 6.393 -9.984 -6.449 1.00 0.00 C ATOM 1162 CD2 LEU A 74 8.412 -11.461 -6.670 1.00 0.00 C ATOM 0 H LEU A 74 7.030 -11.505 -2.734 1.00 0.00 H new ATOM 0 HA LEU A 74 9.486 -11.709 -4.253 1.00 0.00 H new ATOM 0 HB2 LEU A 74 7.277 -9.602 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.680 -9.346 -4.978 1.00 0.00 H new ATOM 0 HG LEU A 74 6.806 -11.743 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.912 -10.541 -7.253 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.634 -9.607 -5.763 1.00 0.00 H new ATOM 0 HD13 LEU A 74 6.949 -9.146 -6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.915 -12.018 -7.465 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.975 -10.634 -7.103 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.093 -12.122 -6.134 1.00 0.00 H new ATOM 1174 N ALA A 75 9.335 -9.829 -1.579 1.00 0.00 N ATOM 1175 CA ALA A 75 10.167 -8.983 -0.706 1.00 0.00 C ATOM 1176 C ALA A 75 10.231 -9.488 0.732 1.00 0.00 C ATOM 1177 O ALA A 75 10.870 -8.857 1.574 1.00 0.00 O ATOM 1178 CB ALA A 75 9.609 -7.560 -0.712 1.00 0.00 C ATOM 0 H ALA A 75 8.425 -10.082 -1.193 1.00 0.00 H new ATOM 0 HA ALA A 75 11.182 -9.012 -1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 75 10.219 -6.927 -0.068 1.00 0.00 H new ATOM 0 HB2 ALA A 75 9.626 -7.167 -1.728 1.00 0.00 H new ATOM 0 HB3 ALA A 75 8.583 -7.570 -0.344 1.00 0.00 H new ATOM 1184 N ASP A 76 9.596 -10.615 1.027 1.00 0.00 N ATOM 1185 CA ASP A 76 9.640 -11.142 2.390 1.00 0.00 C ATOM 1186 C ASP A 76 9.375 -10.019 3.391 1.00 0.00 C ATOM 1187 O ASP A 76 9.946 -9.988 4.480 1.00 0.00 O ATOM 1188 CB ASP A 76 11.011 -11.762 2.643 1.00 0.00 C ATOM 1189 CG ASP A 76 11.144 -13.074 1.873 1.00 0.00 C ATOM 1190 OD1 ASP A 76 10.124 -13.617 1.479 1.00 0.00 O ATOM 1191 OD2 ASP A 76 12.264 -13.522 1.696 1.00 0.00 O ATOM 0 H ASP A 76 9.057 -11.171 0.363 1.00 0.00 H new ATOM 0 HA ASP A 76 8.871 -11.905 2.513 1.00 0.00 H new ATOM 0 HB2 ASP A 76 11.794 -11.070 2.335 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.146 -11.942 3.710 1.00 0.00 H new ATOM 1196 N CYS A 77 8.516 -9.093 2.983 1.00 0.00 N ATOM 1197 CA CYS A 77 8.167 -7.932 3.801 1.00 0.00 C ATOM 1198 C CYS A 77 7.718 -8.323 5.211 1.00 0.00 C ATOM 1199 O CYS A 77 7.987 -9.426 5.687 1.00 0.00 O ATOM 1200 CB CYS A 77 7.049 -7.150 3.102 1.00 0.00 C ATOM 1201 SG CYS A 77 7.090 -5.421 3.638 1.00 0.00 S ATOM 0 H CYS A 77 8.042 -9.123 2.080 1.00 0.00 H new ATOM 0 HA CYS A 77 9.061 -7.317 3.908 1.00 0.00 H new ATOM 0 HB2 CYS A 77 7.172 -7.209 2.021 1.00 0.00 H new ATOM 0 HB3 CYS A 77 6.081 -7.591 3.338 1.00 0.00 H new ATOM 0 HG CYS A 77 6.024 -4.810 3.213 1.00 0.00 H new ATOM 1207 N ALA A 78 7.025 -7.387 5.864 1.00 0.00 N ATOM 1208 CA ALA A 78 6.516 -7.594 7.215 1.00 0.00 C ATOM 1209 C ALA A 78 5.134 -8.246 7.168 1.00 0.00 C ATOM 1210 O ALA A 78 4.515 -8.328 6.107 1.00 0.00 O ATOM 1211 CB ALA A 78 6.431 -6.243 7.945 1.00 0.00 C ATOM 0 H ALA A 78 6.804 -6.472 5.472 1.00 0.00 H new ATOM 0 HA ALA A 78 7.196 -8.255 7.752 1.00 0.00 H new ATOM 0 HB1 ALA A 78 6.051 -6.398 8.955 1.00 0.00 H new ATOM 0 HB2 ALA A 78 7.423 -5.794 7.996 1.00 0.00 H new ATOM 0 HB3 ALA A 78 5.759 -5.578 7.402 1.00 0.00 H new ATOM 1217 N GLN A 79 4.646 -8.707 8.324 1.00 0.00 N ATOM 1218 CA GLN A 79 3.341 -9.343 8.414 1.00 0.00 C ATOM 1219 C GLN A 79 2.558 -8.760 9.591 1.00 0.00 C ATOM 1220 O GLN A 79 1.929 -9.490 10.356 1.00 0.00 O ATOM 1221 CB GLN A 79 3.528 -10.848 8.621 1.00 0.00 C ATOM 1222 CG GLN A 79 2.240 -11.569 8.252 1.00 0.00 C ATOM 1223 CD GLN A 79 2.369 -13.063 8.537 1.00 0.00 C ATOM 1224 OE1 GLN A 79 2.851 -13.450 9.601 1.00 0.00 O ATOM 1225 NE2 GLN A 79 1.968 -13.928 7.646 1.00 0.00 N ATOM 0 H GLN A 79 5.144 -8.648 9.212 1.00 0.00 H new ATOM 0 HA GLN A 79 2.787 -9.163 7.493 1.00 0.00 H new ATOM 0 HB2 GLN A 79 4.351 -11.212 8.006 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.790 -11.054 9.659 1.00 0.00 H new ATOM 0 HG2 GLN A 79 1.407 -11.154 8.820 1.00 0.00 H new ATOM 0 HG3 GLN A 79 2.016 -11.411 7.197 1.00 0.00 H new ATOM 0 HE21 GLN A 79 1.569 -13.605 6.765 1.00 0.00 H new ATOM 0 HE22 GLN A 79 2.054 -14.927 7.831 1.00 0.00 H new ATOM 1234 N LEU A 80 2.632 -7.447 9.751 1.00 0.00 N ATOM 1235 CA LEU A 80 1.955 -6.786 10.861 1.00 0.00 C ATOM 1236 C LEU A 80 0.435 -6.785 10.667 1.00 0.00 C ATOM 1237 O LEU A 80 -0.309 -6.552 11.618 1.00 0.00 O ATOM 1238 CB LEU A 80 2.431 -5.321 10.985 1.00 0.00 C ATOM 1239 CG LEU A 80 3.884 -5.171 10.529 1.00 0.00 C ATOM 1240 CD1 LEU A 80 4.305 -3.720 10.732 1.00 0.00 C ATOM 1241 CD2 LEU A 80 4.799 -6.077 11.350 1.00 0.00 C ATOM 0 H LEU A 80 3.149 -6.821 9.133 1.00 0.00 H new ATOM 0 HA LEU A 80 2.201 -7.341 11.766 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.790 -4.676 10.384 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.336 -4.991 12.020 1.00 0.00 H new ATOM 0 HG LEU A 80 3.964 -5.453 9.479 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.339 -3.593 10.412 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.660 -3.068 10.142 1.00 0.00 H new ATOM 0 HD13 LEU A 80 4.217 -3.460 11.787 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.828 -5.957 11.012 1.00 0.00 H new ATOM 0 HD22 LEU A 80 4.729 -5.806 12.403 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.493 -7.115 11.221 1.00 0.00 H new ATOM 1253 N LEU A 81 -0.026 -7.026 9.432 1.00 0.00 N ATOM 1254 CA LEU A 81 -1.477 -7.025 9.136 1.00 0.00 C ATOM 1255 C LEU A 81 -1.968 -8.400 8.692 1.00 0.00 C ATOM 1256 O LEU A 81 -1.328 -9.074 7.886 1.00 0.00 O ATOM 1257 CB LEU A 81 -1.803 -6.007 8.019 1.00 0.00 C ATOM 1258 CG LEU A 81 -0.889 -4.789 8.125 1.00 0.00 C ATOM 1259 CD1 LEU A 81 -1.152 -3.846 6.950 1.00 0.00 C ATOM 1260 CD2 LEU A 81 -1.180 -4.047 9.426 1.00 0.00 C ATOM 0 H LEU A 81 0.570 -7.222 8.628 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.985 -6.749 10.060 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.681 -6.477 7.043 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -2.845 -5.695 8.095 1.00 0.00 H new ATOM 0 HG LEU A 81 0.150 -5.119 8.109 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -0.499 -2.977 7.028 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -0.953 -4.367 6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.192 -3.521 6.970 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -0.528 -3.177 9.502 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -2.220 -3.722 9.435 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -1.000 -4.711 10.272 1.00 0.00 H new ATOM 1272 N GLU A 82 -3.136 -8.782 9.208 1.00 0.00 N ATOM 1273 CA GLU A 82 -3.763 -10.056 8.861 1.00 0.00 C ATOM 1274 C GLU A 82 -4.986 -9.824 7.987 1.00 0.00 C ATOM 1275 O GLU A 82 -5.795 -8.939 8.253 1.00 0.00 O ATOM 1276 CB GLU A 82 -4.167 -10.793 10.135 1.00 0.00 C ATOM 1277 CG GLU A 82 -2.906 -11.216 10.890 1.00 0.00 C ATOM 1278 CD GLU A 82 -2.140 -12.262 10.084 1.00 0.00 C ATOM 1279 OE1 GLU A 82 -2.754 -12.892 9.239 1.00 0.00 O ATOM 1280 OE2 GLU A 82 -0.953 -12.411 10.318 1.00 0.00 O ATOM 0 H GLU A 82 -3.670 -8.222 9.873 1.00 0.00 H new ATOM 0 HA GLU A 82 -3.047 -10.661 8.305 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.783 -10.149 10.763 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.769 -11.668 9.889 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -2.272 -10.348 11.070 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -3.175 -11.622 11.865 1.00 0.00 H new ATOM 1287 N VAL A 83 -5.100 -10.623 6.935 1.00 0.00 N ATOM 1288 CA VAL A 83 -6.202 -10.507 5.991 1.00 0.00 C ATOM 1289 C VAL A 83 -7.553 -10.516 6.700 1.00 0.00 C ATOM 1290 O VAL A 83 -8.394 -9.648 6.470 1.00 0.00 O ATOM 1291 CB VAL A 83 -6.120 -11.701 5.031 1.00 0.00 C ATOM 1292 CG1 VAL A 83 -7.354 -11.728 4.101 1.00 0.00 C ATOM 1293 CG2 VAL A 83 -4.816 -11.618 4.217 1.00 0.00 C ATOM 0 H VAL A 83 -4.436 -11.365 6.713 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.120 -9.560 5.457 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.114 -12.628 5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -7.282 -12.580 3.426 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.260 -11.816 4.701 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.392 -10.807 3.520 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -4.758 -12.466 3.535 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.803 -10.691 3.644 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.962 -11.638 4.894 1.00 0.00 H new ATOM 1303 N ASP A 84 -7.763 -11.518 7.535 1.00 0.00 N ATOM 1304 CA ASP A 84 -9.026 -11.655 8.246 1.00 0.00 C ATOM 1305 C ASP A 84 -9.353 -10.397 9.040 1.00 0.00 C ATOM 1306 O ASP A 84 -10.483 -9.912 9.005 1.00 0.00 O ATOM 1307 CB ASP A 84 -8.945 -12.852 9.194 1.00 0.00 C ATOM 1308 CG ASP A 84 -8.959 -14.150 8.392 1.00 0.00 C ATOM 1309 OD1 ASP A 84 -9.281 -14.095 7.217 1.00 0.00 O ATOM 1310 OD2 ASP A 84 -8.638 -15.178 8.965 1.00 0.00 O ATOM 0 H ASP A 84 -7.080 -12.247 7.738 1.00 0.00 H new ATOM 0 HA ASP A 84 -9.818 -11.809 7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -8.035 -12.793 9.792 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -9.785 -12.834 9.889 1.00 0.00 H new ATOM 1315 N ASP A 85 -8.368 -9.872 9.755 1.00 0.00 N ATOM 1316 CA ASP A 85 -8.578 -8.672 10.550 1.00 0.00 C ATOM 1317 C ASP A 85 -8.963 -7.507 9.654 1.00 0.00 C ATOM 1318 O ASP A 85 -9.881 -6.746 9.963 1.00 0.00 O ATOM 1319 CB ASP A 85 -7.296 -8.330 11.308 1.00 0.00 C ATOM 1320 CG ASP A 85 -7.073 -9.329 12.437 1.00 0.00 C ATOM 1321 OD1 ASP A 85 -8.032 -9.966 12.839 1.00 0.00 O ATOM 1322 OD2 ASP A 85 -5.940 -9.452 12.876 1.00 0.00 O ATOM 0 H ASP A 85 -7.424 -10.255 9.801 1.00 0.00 H new ATOM 0 HA ASP A 85 -9.386 -8.855 11.259 1.00 0.00 H new ATOM 0 HB2 ASP A 85 -6.446 -8.345 10.626 1.00 0.00 H new ATOM 0 HB3 ASP A 85 -7.362 -7.320 11.713 1.00 0.00 H new ATOM 1327 N MET A 86 -8.270 -7.384 8.532 1.00 0.00 N ATOM 1328 CA MET A 86 -8.563 -6.319 7.588 1.00 0.00 C ATOM 1329 C MET A 86 -9.977 -6.465 7.053 1.00 0.00 C ATOM 1330 O MET A 86 -10.722 -5.492 6.937 1.00 0.00 O ATOM 1331 CB MET A 86 -7.581 -6.389 6.414 1.00 0.00 C ATOM 1332 CG MET A 86 -6.137 -6.104 6.893 1.00 0.00 C ATOM 1333 SD MET A 86 -5.291 -5.071 5.673 1.00 0.00 S ATOM 1334 CE MET A 86 -6.043 -3.496 6.159 1.00 0.00 C ATOM 0 H MET A 86 -7.508 -8.003 8.255 1.00 0.00 H new ATOM 0 HA MET A 86 -8.466 -5.362 8.101 1.00 0.00 H new ATOM 0 HB2 MET A 86 -7.628 -7.375 5.952 1.00 0.00 H new ATOM 0 HB3 MET A 86 -7.866 -5.665 5.651 1.00 0.00 H new ATOM 0 HG2 MET A 86 -6.156 -5.602 7.860 1.00 0.00 H new ATOM 0 HG3 MET A 86 -5.596 -7.040 7.030 1.00 0.00 H new ATOM 0 HE1 MET A 86 -6.807 -3.218 5.433 1.00 0.00 H new ATOM 0 HE2 MET A 86 -6.498 -3.599 7.144 1.00 0.00 H new ATOM 0 HE3 MET A 86 -5.276 -2.722 6.193 1.00 0.00 H new ATOM 1344 N VAL A 87 -10.326 -7.699 6.743 1.00 0.00 N ATOM 1345 CA VAL A 87 -11.642 -8.014 6.223 1.00 0.00 C ATOM 1346 C VAL A 87 -12.720 -7.732 7.261 1.00 0.00 C ATOM 1347 O VAL A 87 -13.779 -7.189 6.937 1.00 0.00 O ATOM 1348 CB VAL A 87 -11.679 -9.489 5.815 1.00 0.00 C ATOM 1349 CG1 VAL A 87 -13.111 -9.901 5.459 1.00 0.00 C ATOM 1350 CG2 VAL A 87 -10.763 -9.699 4.600 1.00 0.00 C ATOM 0 H VAL A 87 -9.710 -8.506 6.844 1.00 0.00 H new ATOM 0 HA VAL A 87 -11.839 -7.385 5.355 1.00 0.00 H new ATOM 0 HB VAL A 87 -11.334 -10.102 6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 87 -13.126 -10.952 5.170 1.00 0.00 H new ATOM 0 HG12 VAL A 87 -13.758 -9.753 6.324 1.00 0.00 H new ATOM 0 HG13 VAL A 87 -13.469 -9.292 4.629 1.00 0.00 H new ATOM 0 HG21 VAL A 87 -10.785 -10.748 4.305 1.00 0.00 H new ATOM 0 HG22 VAL A 87 -11.110 -9.081 3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 87 -9.743 -9.417 4.860 1.00 0.00 H new ATOM 1360 N ARG A 88 -12.456 -8.112 8.505 1.00 0.00 N ATOM 1361 CA ARG A 88 -13.414 -7.905 9.583 1.00 0.00 C ATOM 1362 C ARG A 88 -13.496 -6.440 9.995 1.00 0.00 C ATOM 1363 O ARG A 88 -14.586 -5.885 10.141 1.00 0.00 O ATOM 1364 CB ARG A 88 -12.991 -8.745 10.791 1.00 0.00 C ATOM 1365 CG ARG A 88 -13.231 -10.224 10.483 1.00 0.00 C ATOM 1366 CD ARG A 88 -12.804 -11.079 11.678 1.00 0.00 C ATOM 1367 NE ARG A 88 -13.019 -12.490 11.382 1.00 0.00 N ATOM 1368 CZ ARG A 88 -12.626 -13.439 12.225 1.00 0.00 C ATOM 1369 NH1 ARG A 88 -12.851 -13.310 13.505 1.00 0.00 N ATOM 1370 NH2 ARG A 88 -12.015 -14.499 11.773 1.00 0.00 N ATOM 0 H ARG A 88 -11.588 -8.564 8.792 1.00 0.00 H new ATOM 0 HA ARG A 88 -14.398 -8.208 9.226 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.938 -8.574 11.017 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.559 -8.448 11.673 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -14.285 -10.392 10.262 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -12.669 -10.516 9.596 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -11.753 -10.902 11.905 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -13.374 -10.793 12.562 1.00 0.00 H new ATOM 0 HE ARG A 88 -13.480 -12.754 10.511 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -13.329 -12.481 13.858 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -12.549 -14.039 14.152 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -11.839 -14.599 10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -11.713 -15.228 12.419 1.00 0.00 H new ATOM 1384 N LEU A 89 -12.340 -5.822 10.189 1.00 0.00 N ATOM 1385 CA LEU A 89 -12.304 -4.426 10.595 1.00 0.00 C ATOM 1386 C LEU A 89 -12.886 -3.538 9.502 1.00 0.00 C ATOM 1387 O LEU A 89 -13.732 -2.680 9.763 1.00 0.00 O ATOM 1388 CB LEU A 89 -10.853 -4.008 10.869 1.00 0.00 C ATOM 1389 CG LEU A 89 -10.318 -4.706 12.133 1.00 0.00 C ATOM 1390 CD1 LEU A 89 -8.802 -4.486 12.233 1.00 0.00 C ATOM 1391 CD2 LEU A 89 -11.001 -4.136 13.393 1.00 0.00 C ATOM 0 H LEU A 89 -11.426 -6.259 10.074 1.00 0.00 H new ATOM 0 HA LEU A 89 -12.900 -4.310 11.500 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -10.228 -4.263 10.014 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -10.798 -2.926 10.993 1.00 0.00 H new ATOM 0 HG LEU A 89 -10.536 -5.772 12.065 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -8.421 -4.979 13.127 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -8.315 -4.904 11.352 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -8.592 -3.418 12.291 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -10.612 -4.640 14.278 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -10.798 -3.068 13.465 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -12.077 -4.297 13.328 1.00 0.00 H new ATOM 1403 N ALA A 90 -12.384 -3.722 8.289 1.00 0.00 N ATOM 1404 CA ALA A 90 -12.814 -2.899 7.169 1.00 0.00 C ATOM 1405 C ALA A 90 -12.507 -1.449 7.524 1.00 0.00 C ATOM 1406 O ALA A 90 -13.141 -0.516 7.035 1.00 0.00 O ATOM 1407 CB ALA A 90 -14.314 -3.080 6.905 1.00 0.00 C ATOM 0 H ALA A 90 -11.685 -4.427 8.057 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.288 -3.192 6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -14.613 -2.455 6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -14.519 -4.125 6.672 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.877 -2.789 7.792 1.00 0.00 H new ATOM 1413 N VAL A 91 -11.502 -1.309 8.389 1.00 0.00 N ATOM 1414 CA VAL A 91 -11.036 -0.011 8.873 1.00 0.00 C ATOM 1415 C VAL A 91 -9.634 -0.161 9.481 1.00 0.00 C ATOM 1416 O VAL A 91 -9.509 -0.426 10.676 1.00 0.00 O ATOM 1417 CB VAL A 91 -11.993 0.523 9.956 1.00 0.00 C ATOM 1418 CG1 VAL A 91 -11.395 1.782 10.609 1.00 0.00 C ATOM 1419 CG2 VAL A 91 -13.353 0.874 9.333 1.00 0.00 C ATOM 0 H VAL A 91 -10.985 -2.099 8.776 1.00 0.00 H new ATOM 0 HA VAL A 91 -11.007 0.686 8.036 1.00 0.00 H new ATOM 0 HB VAL A 91 -12.131 -0.250 10.712 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -12.077 2.154 11.374 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -10.437 1.535 11.066 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -11.247 2.550 9.850 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -14.022 1.250 10.107 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -13.216 1.639 8.568 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -13.787 -0.018 8.881 1.00 0.00 H new ATOM 1429 N PRO A 92 -8.582 -0.006 8.707 1.00 0.00 N ATOM 1430 CA PRO A 92 -7.195 -0.136 9.229 1.00 0.00 C ATOM 1431 C PRO A 92 -6.809 1.066 10.086 1.00 0.00 C ATOM 1432 O PRO A 92 -7.645 1.913 10.399 1.00 0.00 O ATOM 1433 CB PRO A 92 -6.304 -0.247 7.968 1.00 0.00 C ATOM 1434 CG PRO A 92 -7.228 -0.187 6.780 1.00 0.00 C ATOM 1435 CD PRO A 92 -8.591 0.310 7.274 1.00 0.00 C ATOM 0 HA PRO A 92 -7.083 -1.003 9.880 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.577 0.565 7.935 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -5.740 -1.180 7.973 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.829 0.484 6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -7.323 -1.170 6.320 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -8.713 1.379 7.101 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -9.410 -0.192 6.759 1.00 0.00 H new ATOM 1443 N ASP A 93 -5.533 1.135 10.443 1.00 0.00 N ATOM 1444 CA ASP A 93 -5.020 2.241 11.250 1.00 0.00 C ATOM 1445 C ASP A 93 -3.874 2.938 10.525 1.00 0.00 C ATOM 1446 O ASP A 93 -2.958 2.291 10.019 1.00 0.00 O ATOM 1447 CB ASP A 93 -4.562 1.721 12.613 1.00 0.00 C ATOM 1448 CG ASP A 93 -5.775 1.287 13.432 1.00 0.00 C ATOM 1449 OD1 ASP A 93 -6.877 1.656 13.059 1.00 0.00 O ATOM 1450 OD2 ASP A 93 -5.586 0.590 14.413 1.00 0.00 O ATOM 0 H ASP A 93 -4.832 0.439 10.188 1.00 0.00 H new ATOM 0 HA ASP A 93 -5.817 2.969 11.405 1.00 0.00 H new ATOM 0 HB2 ASP A 93 -3.880 0.881 12.482 1.00 0.00 H new ATOM 0 HB3 ASP A 93 -4.012 2.498 13.144 1.00 0.00 H new ATOM 1455 N SER A 94 -3.952 4.262 10.468 1.00 0.00 N ATOM 1456 CA SER A 94 -2.940 5.060 9.786 1.00 0.00 C ATOM 1457 C SER A 94 -1.549 4.700 10.277 1.00 0.00 C ATOM 1458 O SER A 94 -0.582 4.714 9.515 1.00 0.00 O ATOM 1459 CB SER A 94 -3.200 6.545 10.026 1.00 0.00 C ATOM 1460 OG SER A 94 -2.030 7.286 9.708 1.00 0.00 O ATOM 0 H SER A 94 -4.706 4.806 10.886 1.00 0.00 H new ATOM 0 HA SER A 94 -2.998 4.848 8.718 1.00 0.00 H new ATOM 0 HB2 SER A 94 -4.036 6.883 9.413 1.00 0.00 H new ATOM 0 HB3 SER A 94 -3.479 6.713 11.066 1.00 0.00 H new ATOM 0 HG SER A 94 -2.196 8.240 9.860 1.00 0.00 H new ATOM 1466 N LYS A 95 -1.455 4.365 11.550 1.00 0.00 N ATOM 1467 CA LYS A 95 -0.179 3.994 12.116 1.00 0.00 C ATOM 1468 C LYS A 95 0.263 2.633 11.594 1.00 0.00 C ATOM 1469 O LYS A 95 1.436 2.421 11.282 1.00 0.00 O ATOM 1470 CB LYS A 95 -0.288 3.949 13.653 1.00 0.00 C ATOM 1471 CG LYS A 95 1.077 4.268 14.311 1.00 0.00 C ATOM 1472 CD LYS A 95 1.915 2.992 14.423 1.00 0.00 C ATOM 1473 CE LYS A 95 3.242 3.305 15.102 1.00 0.00 C ATOM 1474 NZ LYS A 95 4.087 2.078 15.113 1.00 0.00 N ATOM 0 H LYS A 95 -2.239 4.343 12.202 1.00 0.00 H new ATOM 0 HA LYS A 95 0.562 4.737 11.823 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -1.036 4.667 13.990 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -0.628 2.963 13.969 1.00 0.00 H new ATOM 0 HG2 LYS A 95 1.610 5.012 13.719 1.00 0.00 H new ATOM 0 HG3 LYS A 95 0.921 4.699 15.300 1.00 0.00 H new ATOM 0 HD2 LYS A 95 1.373 2.239 14.994 1.00 0.00 H new ATOM 0 HD3 LYS A 95 2.093 2.574 13.432 1.00 0.00 H new ATOM 0 HE2 LYS A 95 3.754 4.109 14.573 1.00 0.00 H new ATOM 0 HE3 LYS A 95 3.070 3.652 16.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 5.066 2.333 15.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 3.720 1.410 15.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 4.065 1.633 14.173 1.00 0.00 H new ATOM 1488 N CYS A 96 -0.683 1.707 11.515 1.00 0.00 N ATOM 1489 CA CYS A 96 -0.373 0.365 11.048 1.00 0.00 C ATOM 1490 C CYS A 96 0.106 0.401 9.602 1.00 0.00 C ATOM 1491 O CYS A 96 1.155 -0.152 9.268 1.00 0.00 O ATOM 1492 CB CYS A 96 -1.617 -0.525 11.153 1.00 0.00 C ATOM 1493 SG CYS A 96 -1.818 -1.093 12.858 1.00 0.00 S ATOM 0 H CYS A 96 -1.660 1.858 11.765 1.00 0.00 H new ATOM 0 HA CYS A 96 0.421 -0.044 11.673 1.00 0.00 H new ATOM 0 HB2 CYS A 96 -2.501 0.030 10.838 1.00 0.00 H new ATOM 0 HB3 CYS A 96 -1.522 -1.380 10.484 1.00 0.00 H new ATOM 0 HG CYS A 96 -2.875 -1.845 12.943 1.00 0.00 H new ATOM 1499 N VAL A 97 -0.672 1.062 8.753 1.00 0.00 N ATOM 1500 CA VAL A 97 -0.325 1.178 7.350 1.00 0.00 C ATOM 1501 C VAL A 97 1.016 1.866 7.233 1.00 0.00 C ATOM 1502 O VAL A 97 1.888 1.435 6.489 1.00 0.00 O ATOM 1503 CB VAL A 97 -1.375 2.019 6.618 1.00 0.00 C ATOM 1504 CG1 VAL A 97 -0.970 2.192 5.153 1.00 0.00 C ATOM 1505 CG2 VAL A 97 -2.738 1.330 6.699 1.00 0.00 C ATOM 0 H VAL A 97 -1.544 1.523 9.015 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.284 0.183 6.906 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.440 2.999 7.090 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -1.720 2.791 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.004 2.695 5.099 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -0.897 1.214 4.678 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -3.482 1.932 6.177 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.676 0.346 6.234 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -3.029 1.220 7.744 1.00 0.00 H new ATOM 1515 N TYR A 98 1.179 2.935 7.994 1.00 0.00 N ATOM 1516 CA TYR A 98 2.420 3.681 7.979 1.00 0.00 C ATOM 1517 C TYR A 98 3.579 2.771 8.337 1.00 0.00 C ATOM 1518 O TYR A 98 4.589 2.728 7.635 1.00 0.00 O ATOM 1519 CB TYR A 98 2.332 4.819 9.000 1.00 0.00 C ATOM 1520 CG TYR A 98 3.656 5.536 9.074 1.00 0.00 C ATOM 1521 CD1 TYR A 98 4.703 4.992 9.829 1.00 0.00 C ATOM 1522 CD2 TYR A 98 3.839 6.742 8.389 1.00 0.00 C ATOM 1523 CE1 TYR A 98 5.935 5.653 9.894 1.00 0.00 C ATOM 1524 CE2 TYR A 98 5.073 7.404 8.458 1.00 0.00 C ATOM 1525 CZ TYR A 98 6.120 6.859 9.210 1.00 0.00 C ATOM 1526 OH TYR A 98 7.335 7.505 9.272 1.00 0.00 O ATOM 0 H TYR A 98 0.469 3.303 8.627 1.00 0.00 H new ATOM 0 HA TYR A 98 2.584 4.088 6.981 1.00 0.00 H new ATOM 0 HB2 TYR A 98 1.545 5.517 8.715 1.00 0.00 H new ATOM 0 HB3 TYR A 98 2.067 4.422 9.980 1.00 0.00 H new ATOM 0 HD1 TYR A 98 4.560 4.063 10.361 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.031 7.162 7.808 1.00 0.00 H new ATOM 0 HE1 TYR A 98 6.744 5.231 10.473 1.00 0.00 H new ATOM 0 HE2 TYR A 98 5.216 8.335 7.930 1.00 0.00 H new ATOM 0 HH TYR A 98 7.296 8.327 8.741 1.00 0.00 H new ATOM 1536 N THR A 99 3.430 2.046 9.436 1.00 0.00 N ATOM 1537 CA THR A 99 4.476 1.144 9.876 1.00 0.00 C ATOM 1538 C THR A 99 4.787 0.133 8.785 1.00 0.00 C ATOM 1539 O THR A 99 5.954 -0.157 8.506 1.00 0.00 O ATOM 1540 CB THR A 99 4.045 0.411 11.147 1.00 0.00 C ATOM 1541 OG1 THR A 99 3.553 1.351 12.089 1.00 0.00 O ATOM 1542 CG2 THR A 99 5.245 -0.329 11.745 1.00 0.00 C ATOM 0 H THR A 99 2.603 2.066 10.032 1.00 0.00 H new ATOM 0 HA THR A 99 5.371 1.729 10.089 1.00 0.00 H new ATOM 0 HB THR A 99 3.262 -0.307 10.904 1.00 0.00 H new ATOM 0 HG1 THR A 99 2.598 1.503 11.931 1.00 0.00 H new ATOM 0 HG21 THR A 99 4.936 -0.851 12.651 1.00 0.00 H new ATOM 0 HG22 THR A 99 5.625 -1.051 11.022 1.00 0.00 H new ATOM 0 HG23 THR A 99 6.030 0.387 11.989 1.00 0.00 H new ATOM 1550 N TYR A 100 3.744 -0.410 8.166 1.00 0.00 N ATOM 1551 CA TYR A 100 3.918 -1.388 7.103 1.00 0.00 C ATOM 1552 C TYR A 100 4.687 -0.775 5.940 1.00 0.00 C ATOM 1553 O TYR A 100 5.672 -1.335 5.458 1.00 0.00 O ATOM 1554 CB TYR A 100 2.541 -1.802 6.600 1.00 0.00 C ATOM 1555 CG TYR A 100 2.687 -2.966 5.658 1.00 0.00 C ATOM 1556 CD1 TYR A 100 3.007 -2.742 4.316 1.00 0.00 C ATOM 1557 CD2 TYR A 100 2.496 -4.268 6.127 1.00 0.00 C ATOM 1558 CE1 TYR A 100 3.137 -3.825 3.439 1.00 0.00 C ATOM 1559 CE2 TYR A 100 2.626 -5.352 5.253 1.00 0.00 C ATOM 1560 CZ TYR A 100 2.946 -5.131 3.908 1.00 0.00 C ATOM 1561 OH TYR A 100 3.072 -6.201 3.045 1.00 0.00 O ATOM 0 H TYR A 100 2.772 -0.189 8.383 1.00 0.00 H new ATOM 0 HA TYR A 100 4.471 -2.244 7.490 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.902 -2.076 7.439 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.060 -0.966 6.092 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.154 -1.734 3.956 1.00 0.00 H new ATOM 0 HD2 TYR A 100 2.248 -4.437 7.164 1.00 0.00 H new ATOM 0 HE1 TYR A 100 3.384 -3.654 2.402 1.00 0.00 H new ATOM 0 HE2 TYR A 100 2.480 -6.359 5.615 1.00 0.00 H new ATOM 0 HH TYR A 100 3.147 -7.031 3.561 1.00 0.00 H new ATOM 1571 N ILE A 101 4.215 0.388 5.506 1.00 0.00 N ATOM 1572 CA ILE A 101 4.833 1.109 4.406 1.00 0.00 C ATOM 1573 C ILE A 101 6.270 1.454 4.779 1.00 0.00 C ATOM 1574 O ILE A 101 7.182 1.355 3.957 1.00 0.00 O ATOM 1575 CB ILE A 101 4.040 2.393 4.109 1.00 0.00 C ATOM 1576 CG1 ILE A 101 2.643 2.045 3.543 1.00 0.00 C ATOM 1577 CG2 ILE A 101 4.799 3.273 3.113 1.00 0.00 C ATOM 1578 CD1 ILE A 101 2.741 1.259 2.228 1.00 0.00 C ATOM 0 H ILE A 101 3.399 0.853 5.905 1.00 0.00 H new ATOM 0 HA ILE A 101 4.831 0.485 3.513 1.00 0.00 H new ATOM 0 HB ILE A 101 3.917 2.942 5.042 1.00 0.00 H new ATOM 0 HG12 ILE A 101 2.089 1.459 4.276 1.00 0.00 H new ATOM 0 HG13 ILE A 101 2.079 2.963 3.377 1.00 0.00 H new ATOM 0 HG21 ILE A 101 4.224 4.177 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 101 5.768 3.544 3.532 1.00 0.00 H new ATOM 0 HG23 ILE A 101 4.947 2.725 2.182 1.00 0.00 H new ATOM 0 HD11 ILE A 101 1.739 1.034 1.863 1.00 0.00 H new ATOM 0 HD12 ILE A 101 3.272 1.856 1.486 1.00 0.00 H new ATOM 0 HD13 ILE A 101 3.282 0.328 2.400 1.00 0.00 H new ATOM 1590 N GLN A 102 6.451 1.857 6.028 1.00 0.00 N ATOM 1591 CA GLN A 102 7.769 2.220 6.533 1.00 0.00 C ATOM 1592 C GLN A 102 8.788 1.136 6.212 1.00 0.00 C ATOM 1593 O GLN A 102 9.764 1.369 5.492 1.00 0.00 O ATOM 1594 CB GLN A 102 7.708 2.395 8.052 1.00 0.00 C ATOM 1595 CG GLN A 102 8.948 3.156 8.527 1.00 0.00 C ATOM 1596 CD GLN A 102 8.886 3.371 10.035 1.00 0.00 C ATOM 1597 OE1 GLN A 102 7.840 3.162 10.651 1.00 0.00 O ATOM 1598 NE2 GLN A 102 9.949 3.786 10.670 1.00 0.00 N ATOM 0 H GLN A 102 5.700 1.941 6.713 1.00 0.00 H new ATOM 0 HA GLN A 102 8.071 3.151 6.054 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.805 2.939 8.330 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.657 1.421 8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 102 9.848 2.598 8.268 1.00 0.00 H new ATOM 0 HG3 GLN A 102 9.012 4.117 8.017 1.00 0.00 H new ATOM 0 HE21 GLN A 102 10.814 3.958 10.158 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.914 3.938 11.678 1.00 0.00 H new ATOM 1607 N GLU A 103 8.569 -0.043 6.782 1.00 0.00 N ATOM 1608 CA GLU A 103 9.491 -1.147 6.573 1.00 0.00 C ATOM 1609 C GLU A 103 9.617 -1.438 5.087 1.00 0.00 C ATOM 1610 O GLU A 103 10.717 -1.638 4.571 1.00 0.00 O ATOM 1611 CB GLU A 103 8.995 -2.384 7.320 1.00 0.00 C ATOM 1612 CG GLU A 103 10.035 -3.501 7.215 1.00 0.00 C ATOM 1613 CD GLU A 103 9.634 -4.671 8.107 1.00 0.00 C ATOM 1614 OE1 GLU A 103 8.808 -4.468 8.981 1.00 0.00 O ATOM 1615 OE2 GLU A 103 10.154 -5.754 7.899 1.00 0.00 O ATOM 0 H GLU A 103 7.773 -0.255 7.383 1.00 0.00 H new ATOM 0 HA GLU A 103 10.473 -0.876 6.960 1.00 0.00 H new ATOM 0 HB2 GLU A 103 8.813 -2.140 8.367 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.046 -2.717 6.901 1.00 0.00 H new ATOM 0 HG2 GLU A 103 10.120 -3.834 6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 103 11.015 -3.126 7.511 1.00 0.00 H new ATOM 1622 N LEU A 104 8.483 -1.456 4.407 1.00 0.00 N ATOM 1623 CA LEU A 104 8.455 -1.723 2.979 1.00 0.00 C ATOM 1624 C LEU A 104 9.298 -0.711 2.222 1.00 0.00 C ATOM 1625 O LEU A 104 10.102 -1.073 1.364 1.00 0.00 O ATOM 1626 CB LEU A 104 7.009 -1.601 2.509 1.00 0.00 C ATOM 1627 CG LEU A 104 6.881 -1.854 0.999 1.00 0.00 C ATOM 1628 CD1 LEU A 104 7.219 -3.312 0.671 1.00 0.00 C ATOM 1629 CD2 LEU A 104 5.441 -1.555 0.569 1.00 0.00 C ATOM 0 H LEU A 104 7.567 -1.288 4.823 1.00 0.00 H new ATOM 0 HA LEU A 104 8.855 -2.719 2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.388 -2.314 3.052 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.632 -0.606 2.745 1.00 0.00 H new ATOM 0 HG LEU A 104 7.577 -1.207 0.465 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.124 -3.475 -0.403 1.00 0.00 H new ATOM 0 HD12 LEU A 104 8.242 -3.527 0.981 1.00 0.00 H new ATOM 0 HD13 LEU A 104 6.533 -3.973 1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 104 5.337 -1.731 -0.502 1.00 0.00 H new ATOM 0 HD22 LEU A 104 4.756 -2.207 1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.204 -0.514 0.790 1.00 0.00 H new ATOM 1641 N TYR A 105 9.102 0.558 2.545 1.00 0.00 N ATOM 1642 CA TYR A 105 9.832 1.628 1.888 1.00 0.00 C ATOM 1643 C TYR A 105 11.315 1.342 1.957 1.00 0.00 C ATOM 1644 O TYR A 105 12.044 1.479 0.974 1.00 0.00 O ATOM 1645 CB TYR A 105 9.546 2.937 2.618 1.00 0.00 C ATOM 1646 CG TYR A 105 10.233 4.082 1.922 1.00 0.00 C ATOM 1647 CD1 TYR A 105 9.576 4.765 0.893 1.00 0.00 C ATOM 1648 CD2 TYR A 105 11.524 4.466 2.306 1.00 0.00 C ATOM 1649 CE1 TYR A 105 10.208 5.832 0.247 1.00 0.00 C ATOM 1650 CE2 TYR A 105 12.157 5.534 1.659 1.00 0.00 C ATOM 1651 CZ TYR A 105 11.498 6.217 0.631 1.00 0.00 C ATOM 1652 OH TYR A 105 12.120 7.269 -0.007 1.00 0.00 O ATOM 0 H TYR A 105 8.443 0.871 3.258 1.00 0.00 H new ATOM 0 HA TYR A 105 9.522 1.701 0.846 1.00 0.00 H new ATOM 0 HB2 TYR A 105 8.471 3.115 2.652 1.00 0.00 H new ATOM 0 HB3 TYR A 105 9.891 2.869 3.650 1.00 0.00 H new ATOM 0 HD1 TYR A 105 8.581 4.468 0.598 1.00 0.00 H new ATOM 0 HD2 TYR A 105 12.031 3.939 3.101 1.00 0.00 H new ATOM 0 HE1 TYR A 105 9.701 6.359 -0.548 1.00 0.00 H new ATOM 0 HE2 TYR A 105 13.153 5.830 1.953 1.00 0.00 H new ATOM 0 HH TYR A 105 13.009 7.407 0.381 1.00 0.00 H new ATOM 1662 N ARG A 106 11.751 0.974 3.141 1.00 0.00 N ATOM 1663 CA ARG A 106 13.153 0.697 3.375 1.00 0.00 C ATOM 1664 C ARG A 106 13.636 -0.456 2.501 1.00 0.00 C ATOM 1665 O ARG A 106 14.713 -0.376 1.907 1.00 0.00 O ATOM 1666 CB ARG A 106 13.342 0.383 4.853 1.00 0.00 C ATOM 1667 CG ARG A 106 13.148 1.679 5.645 1.00 0.00 C ATOM 1668 CD ARG A 106 13.227 1.394 7.141 1.00 0.00 C ATOM 1669 NE ARG A 106 14.580 0.999 7.507 1.00 0.00 N ATOM 1670 CZ ARG A 106 14.865 0.612 8.743 1.00 0.00 C ATOM 1671 NH1 ARG A 106 14.882 1.484 9.713 1.00 0.00 N ATOM 1672 NH2 ARG A 106 15.124 -0.642 8.986 1.00 0.00 N ATOM 0 H ARG A 106 11.154 0.859 3.960 1.00 0.00 H new ATOM 0 HA ARG A 106 13.750 1.569 3.108 1.00 0.00 H new ATOM 0 HB2 ARG A 106 12.625 -0.371 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 106 14.337 -0.026 5.031 1.00 0.00 H new ATOM 0 HG2 ARG A 106 13.912 2.404 5.364 1.00 0.00 H new ATOM 0 HG3 ARG A 106 12.182 2.122 5.402 1.00 0.00 H new ATOM 0 HD2 ARG A 106 12.935 2.281 7.703 1.00 0.00 H new ATOM 0 HD3 ARG A 106 12.525 0.603 7.405 1.00 0.00 H new ATOM 0 HE ARG A 106 15.318 1.020 6.803 1.00 0.00 H new ATOM 0 HH11 ARG A 106 14.676 2.464 9.521 1.00 0.00 H new ATOM 0 HH12 ARG A 106 15.101 1.185 10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 106 15.107 -1.323 8.227 1.00 0.00 H new ATOM 0 HH22 ARG A 106 15.344 -0.943 9.936 1.00 0.00 H new ATOM 1686 N SER A 107 12.838 -1.510 2.393 1.00 0.00 N ATOM 1687 CA SER A 107 13.222 -2.642 1.559 1.00 0.00 C ATOM 1688 C SER A 107 13.387 -2.187 0.110 1.00 0.00 C ATOM 1689 O SER A 107 14.323 -2.599 -0.576 1.00 0.00 O ATOM 1690 CB SER A 107 12.169 -3.747 1.642 1.00 0.00 C ATOM 1691 OG SER A 107 12.604 -4.862 0.878 1.00 0.00 O ATOM 0 H SER A 107 11.937 -1.606 2.862 1.00 0.00 H new ATOM 0 HA SER A 107 14.171 -3.037 1.921 1.00 0.00 H new ATOM 0 HB2 SER A 107 12.013 -4.040 2.680 1.00 0.00 H new ATOM 0 HB3 SER A 107 11.212 -3.384 1.266 1.00 0.00 H new ATOM 0 HG SER A 107 12.372 -5.691 1.347 1.00 0.00 H new ATOM 1697 N LEU A 108 12.475 -1.329 -0.346 1.00 0.00 N ATOM 1698 CA LEU A 108 12.525 -0.816 -1.716 1.00 0.00 C ATOM 1699 C LEU A 108 13.804 -0.024 -1.952 1.00 0.00 C ATOM 1700 O LEU A 108 14.397 -0.093 -3.028 1.00 0.00 O ATOM 1701 CB LEU A 108 11.339 0.117 -1.988 1.00 0.00 C ATOM 1702 CG LEU A 108 10.010 -0.647 -1.925 1.00 0.00 C ATOM 1703 CD1 LEU A 108 8.856 0.348 -2.082 1.00 0.00 C ATOM 1704 CD2 LEU A 108 9.938 -1.688 -3.051 1.00 0.00 C ATOM 0 H LEU A 108 11.696 -0.975 0.209 1.00 0.00 H new ATOM 0 HA LEU A 108 12.489 -1.677 -2.384 1.00 0.00 H new ATOM 0 HB2 LEU A 108 11.333 0.925 -1.256 1.00 0.00 H new ATOM 0 HB3 LEU A 108 11.452 0.577 -2.970 1.00 0.00 H new ATOM 0 HG LEU A 108 9.938 -1.160 -0.966 1.00 0.00 H new ATOM 0 HD11 LEU A 108 7.907 -0.186 -2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 108 8.897 1.082 -1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 108 8.942 0.857 -3.042 1.00 0.00 H new ATOM 0 HD21 LEU A 108 8.989 -2.222 -2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 108 10.014 -1.186 -4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 108 10.760 -2.396 -2.945 1.00 0.00 H new ATOM 1716 N VAL A 109 14.211 0.748 -0.951 1.00 0.00 N ATOM 1717 CA VAL A 109 15.405 1.565 -1.077 1.00 0.00 C ATOM 1718 C VAL A 109 16.630 0.687 -1.292 1.00 0.00 C ATOM 1719 O VAL A 109 17.446 0.955 -2.175 1.00 0.00 O ATOM 1720 CB VAL A 109 15.573 2.426 0.179 1.00 0.00 C ATOM 1721 CG1 VAL A 109 16.949 3.092 0.176 1.00 0.00 C ATOM 1722 CG2 VAL A 109 14.490 3.505 0.192 1.00 0.00 C ATOM 0 H VAL A 109 13.735 0.823 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 109 15.301 2.218 -1.943 1.00 0.00 H new ATOM 0 HB VAL A 109 15.484 1.796 1.064 1.00 0.00 H new ATOM 0 HG11 VAL A 109 17.060 3.702 1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 109 17.724 2.326 0.160 1.00 0.00 H new ATOM 0 HG13 VAL A 109 17.046 3.724 -0.707 1.00 0.00 H new ATOM 0 HG21 VAL A 109 14.602 4.123 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 109 14.587 4.129 -0.696 1.00 0.00 H new ATOM 0 HG23 VAL A 109 13.507 3.034 0.199 1.00 0.00 H new ATOM 1732 N GLN A 110 16.752 -0.369 -0.494 1.00 0.00 N ATOM 1733 CA GLN A 110 17.886 -1.269 -0.643 1.00 0.00 C ATOM 1734 C GLN A 110 17.833 -1.920 -2.016 1.00 0.00 C ATOM 1735 O GLN A 110 18.800 -1.878 -2.779 1.00 0.00 O ATOM 1736 CB GLN A 110 17.853 -2.361 0.444 1.00 0.00 C ATOM 1737 CG GLN A 110 17.325 -1.787 1.778 1.00 0.00 C ATOM 1738 CD GLN A 110 18.106 -2.356 2.965 1.00 0.00 C ATOM 1739 OE1 GLN A 110 19.336 -2.345 2.963 1.00 0.00 O ATOM 1740 NE2 GLN A 110 17.456 -2.854 3.983 1.00 0.00 N ATOM 0 H GLN A 110 16.095 -0.618 0.246 1.00 0.00 H new ATOM 0 HA GLN A 110 18.808 -0.697 -0.538 1.00 0.00 H new ATOM 0 HB2 GLN A 110 17.217 -3.185 0.120 1.00 0.00 H new ATOM 0 HB3 GLN A 110 18.854 -2.768 0.588 1.00 0.00 H new ATOM 0 HG2 GLN A 110 17.409 -0.700 1.770 1.00 0.00 H new ATOM 0 HG3 GLN A 110 16.267 -2.024 1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 110 16.436 -2.862 3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 110 17.968 -3.235 4.778 1.00 0.00 H new ATOM 1749 N LYS A 111 16.688 -2.516 -2.319 1.00 0.00 N ATOM 1750 CA LYS A 111 16.496 -3.175 -3.605 1.00 0.00 C ATOM 1751 C LYS A 111 16.866 -2.229 -4.747 1.00 0.00 C ATOM 1752 O LYS A 111 17.266 -2.670 -5.825 1.00 0.00 O ATOM 1753 CB LYS A 111 15.037 -3.646 -3.763 1.00 0.00 C ATOM 1754 CG LYS A 111 14.771 -4.881 -2.883 1.00 0.00 C ATOM 1755 CD LYS A 111 13.317 -5.347 -3.066 1.00 0.00 C ATOM 1756 CE LYS A 111 13.088 -6.654 -2.297 1.00 0.00 C ATOM 1757 NZ LYS A 111 13.233 -6.409 -0.835 1.00 0.00 N ATOM 0 H LYS A 111 15.881 -2.557 -1.696 1.00 0.00 H new ATOM 0 HA LYS A 111 17.149 -4.047 -3.642 1.00 0.00 H new ATOM 0 HB2 LYS A 111 14.357 -2.841 -3.485 1.00 0.00 H new ATOM 0 HB3 LYS A 111 14.837 -3.886 -4.807 1.00 0.00 H new ATOM 0 HG2 LYS A 111 15.457 -5.685 -3.151 1.00 0.00 H new ATOM 0 HG3 LYS A 111 14.956 -4.640 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 111 12.632 -4.579 -2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 111 13.104 -5.495 -4.125 1.00 0.00 H new ATOM 0 HE2 LYS A 111 12.094 -7.045 -2.513 1.00 0.00 H new ATOM 0 HE3 LYS A 111 13.804 -7.409 -2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 12.898 -7.241 -0.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 14.233 -6.236 -0.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 12.669 -5.578 -0.565 1.00 0.00 H new ATOM 1771 N GLY A 112 16.720 -0.927 -4.507 1.00 0.00 N ATOM 1772 CA GLY A 112 17.028 0.074 -5.528 1.00 0.00 C ATOM 1773 C GLY A 112 15.811 0.297 -6.411 1.00 0.00 C ATOM 1774 O GLY A 112 15.904 0.836 -7.513 1.00 0.00 O ATOM 0 H GLY A 112 16.393 -0.542 -3.621 1.00 0.00 H new ATOM 0 HA2 GLY A 112 17.323 1.011 -5.055 1.00 0.00 H new ATOM 0 HA3 GLY A 112 17.872 -0.257 -6.133 1.00 0.00 H new ATOM 1778 N LEU A 113 14.669 -0.124 -5.885 1.00 0.00 N ATOM 1779 CA LEU A 113 13.396 0.015 -6.575 1.00 0.00 C ATOM 1780 C LEU A 113 12.904 1.461 -6.528 1.00 0.00 C ATOM 1781 O LEU A 113 12.609 2.061 -7.558 1.00 0.00 O ATOM 1782 CB LEU A 113 12.373 -0.904 -5.892 1.00 0.00 C ATOM 1783 CG LEU A 113 12.538 -2.355 -6.378 1.00 0.00 C ATOM 1784 CD1 LEU A 113 11.743 -3.285 -5.456 1.00 0.00 C ATOM 1785 CD2 LEU A 113 12.022 -2.498 -7.828 1.00 0.00 C ATOM 0 H LEU A 113 14.600 -0.570 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 113 13.521 -0.263 -7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 113 12.502 -0.860 -4.811 1.00 0.00 H new ATOM 0 HB3 LEU A 113 11.363 -0.556 -6.107 1.00 0.00 H new ATOM 0 HG LEU A 113 13.594 -2.623 -6.355 1.00 0.00 H new ATOM 0 HD11 LEU A 113 11.855 -4.315 -5.794 1.00 0.00 H new ATOM 0 HD12 LEU A 113 12.118 -3.195 -4.437 1.00 0.00 H new ATOM 0 HD13 LEU A 113 10.689 -3.008 -5.480 1.00 0.00 H new ATOM 0 HD21 LEU A 113 12.145 -3.530 -8.158 1.00 0.00 H new ATOM 0 HD22 LEU A 113 10.967 -2.228 -7.867 1.00 0.00 H new ATOM 0 HD23 LEU A 113 12.590 -1.837 -8.483 1.00 0.00 H new ATOM 1797 N VAL A 114 12.813 2.009 -5.320 1.00 0.00 N ATOM 1798 CA VAL A 114 12.346 3.384 -5.143 1.00 0.00 C ATOM 1799 C VAL A 114 13.351 4.397 -5.706 1.00 0.00 C ATOM 1800 O VAL A 114 12.967 5.361 -6.370 1.00 0.00 O ATOM 1801 CB VAL A 114 12.045 3.642 -3.642 1.00 0.00 C ATOM 1802 CG1 VAL A 114 12.231 5.127 -3.286 1.00 0.00 C ATOM 1803 CG2 VAL A 114 10.594 3.226 -3.323 1.00 0.00 C ATOM 0 H VAL A 114 13.054 1.528 -4.454 1.00 0.00 H new ATOM 0 HA VAL A 114 11.424 3.518 -5.709 1.00 0.00 H new ATOM 0 HB VAL A 114 12.744 3.050 -3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 114 12.013 5.278 -2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 114 13.260 5.424 -3.491 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.552 5.733 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 114 10.387 3.409 -2.269 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.905 3.809 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.463 2.166 -3.540 1.00 0.00 H new ATOM 1813 N LYS A 115 14.627 4.169 -5.439 1.00 0.00 N ATOM 1814 CA LYS A 115 15.678 5.070 -5.923 1.00 0.00 C ATOM 1815 C LYS A 115 16.045 4.730 -7.365 1.00 0.00 C ATOM 1816 O LYS A 115 17.053 4.072 -7.622 1.00 0.00 O ATOM 1817 CB LYS A 115 16.919 4.955 -5.026 1.00 0.00 C ATOM 1818 CG LYS A 115 17.965 5.994 -5.451 1.00 0.00 C ATOM 1819 CD LYS A 115 19.153 5.978 -4.472 1.00 0.00 C ATOM 1820 CE LYS A 115 20.036 4.748 -4.724 1.00 0.00 C ATOM 1821 NZ LYS A 115 21.327 4.902 -3.995 1.00 0.00 N ATOM 0 H LYS A 115 14.965 3.376 -4.894 1.00 0.00 H new ATOM 0 HA LYS A 115 15.305 6.094 -5.889 1.00 0.00 H new ATOM 0 HB2 LYS A 115 16.641 5.110 -3.984 1.00 0.00 H new ATOM 0 HB3 LYS A 115 17.339 3.952 -5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 115 18.313 5.779 -6.461 1.00 0.00 H new ATOM 0 HG3 LYS A 115 17.515 6.987 -5.473 1.00 0.00 H new ATOM 0 HD2 LYS A 115 19.742 6.887 -4.590 1.00 0.00 H new ATOM 0 HD3 LYS A 115 18.787 5.967 -3.445 1.00 0.00 H new ATOM 0 HE2 LYS A 115 19.524 3.845 -4.391 1.00 0.00 H new ATOM 0 HE3 LYS A 115 20.221 4.633 -5.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 21.924 4.068 -4.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 21.817 5.754 -4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 21.142 4.991 -2.976 1.00 0.00 H new ATOM 1835 N THR A 116 15.213 5.181 -8.305 1.00 0.00 N ATOM 1836 CA THR A 116 15.443 4.913 -9.726 1.00 0.00 C ATOM 1837 C THR A 116 16.218 6.051 -10.378 1.00 0.00 C ATOM 1838 O THR A 116 16.646 5.945 -11.525 1.00 0.00 O ATOM 1839 CB THR A 116 14.106 4.735 -10.449 1.00 0.00 C ATOM 1840 OG1 THR A 116 13.443 5.988 -10.537 1.00 0.00 O ATOM 1841 CG2 THR A 116 13.231 3.745 -9.682 1.00 0.00 C ATOM 0 H THR A 116 14.377 5.731 -8.110 1.00 0.00 H new ATOM 0 HA THR A 116 16.030 3.998 -9.805 1.00 0.00 H new ATOM 0 HB THR A 116 14.288 4.350 -11.452 1.00 0.00 H new ATOM 0 HG1 THR A 116 12.588 5.874 -11.002 1.00 0.00 H new ATOM 0 HG21 THR A 116 12.280 3.622 -10.201 1.00 0.00 H new ATOM 0 HG22 THR A 116 13.739 2.782 -9.621 1.00 0.00 H new ATOM 0 HG23 THR A 116 13.049 4.124 -8.676 1.00 0.00 H new ATOM 1849 N LYS A 117 16.391 7.140 -9.636 1.00 0.00 N ATOM 1850 CA LYS A 117 17.121 8.301 -10.155 1.00 0.00 C ATOM 1851 C LYS A 117 17.971 8.934 -9.065 1.00 0.00 C ATOM 1852 O LYS A 117 17.565 8.966 -7.907 1.00 0.00 O ATOM 1853 CB LYS A 117 16.127 9.336 -10.682 1.00 0.00 C ATOM 1854 CG LYS A 117 15.381 8.762 -11.888 1.00 0.00 C ATOM 1855 CD LYS A 117 14.400 9.807 -12.420 1.00 0.00 C ATOM 1856 CE LYS A 117 13.683 9.252 -13.654 1.00 0.00 C ATOM 1857 NZ LYS A 117 12.645 8.272 -13.223 1.00 0.00 N ATOM 0 H LYS A 117 16.042 7.247 -8.684 1.00 0.00 H new ATOM 0 HA LYS A 117 17.774 7.966 -10.961 1.00 0.00 H new ATOM 0 HB2 LYS A 117 15.419 9.607 -9.899 1.00 0.00 H new ATOM 0 HB3 LYS A 117 16.652 10.248 -10.967 1.00 0.00 H new ATOM 0 HG2 LYS A 117 16.089 8.481 -12.668 1.00 0.00 H new ATOM 0 HG3 LYS A 117 14.846 7.857 -11.602 1.00 0.00 H new ATOM 0 HD2 LYS A 117 13.674 10.065 -11.649 1.00 0.00 H new ATOM 0 HD3 LYS A 117 14.932 10.723 -12.676 1.00 0.00 H new ATOM 0 HE2 LYS A 117 13.222 10.064 -14.216 1.00 0.00 H new ATOM 0 HE3 LYS A 117 14.400 8.771 -14.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 12.067 7.996 -14.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 13.107 7.429 -12.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 12.036 8.707 -12.501 1.00 0.00 H new ATOM 1871 N LYS A 118 19.149 9.436 -9.445 1.00 0.00 N ATOM 1872 CA LYS A 118 20.043 10.076 -8.483 1.00 0.00 C ATOM 1873 C LYS A 118 19.335 11.263 -7.815 1.00 0.00 C ATOM 1874 O LYS A 118 19.720 12.416 -8.005 1.00 0.00 O ATOM 1875 CB LYS A 118 21.311 10.569 -9.200 1.00 0.00 C ATOM 1876 CG LYS A 118 22.161 9.373 -9.658 1.00 0.00 C ATOM 1877 CD LYS A 118 23.415 9.883 -10.382 1.00 0.00 C ATOM 1878 CE LYS A 118 24.314 8.704 -10.770 1.00 0.00 C ATOM 1879 NZ LYS A 118 23.738 8.005 -11.954 1.00 0.00 N ATOM 0 H LYS A 118 19.501 9.411 -10.402 1.00 0.00 H new ATOM 0 HA LYS A 118 20.319 9.349 -7.719 1.00 0.00 H new ATOM 0 HB2 LYS A 118 21.037 11.180 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 118 21.893 11.203 -8.531 1.00 0.00 H new ATOM 0 HG2 LYS A 118 22.446 8.766 -8.799 1.00 0.00 H new ATOM 0 HG3 LYS A 118 21.580 8.733 -10.322 1.00 0.00 H new ATOM 0 HD2 LYS A 118 23.128 10.441 -11.273 1.00 0.00 H new ATOM 0 HD3 LYS A 118 23.962 10.571 -9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 118 25.319 9.059 -10.998 1.00 0.00 H new ATOM 0 HE3 LYS A 118 24.403 8.011 -9.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 24.358 7.216 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 22.795 7.638 -11.715 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 23.659 8.673 -12.747 1.00 0.00 H new ATOM 1893 N LYS A 119 18.297 10.964 -7.039 1.00 0.00 N ATOM 1894 CA LYS A 119 17.533 11.999 -6.355 1.00 0.00 C ATOM 1895 C LYS A 119 17.180 13.127 -7.321 1.00 0.00 C ATOM 1896 O LYS A 119 17.688 14.221 -7.132 1.00 0.00 O ATOM 1897 CB LYS A 119 18.351 12.558 -5.191 1.00 0.00 C ATOM 1898 CG LYS A 119 18.531 11.482 -4.117 1.00 0.00 C ATOM 1899 CD LYS A 119 19.340 12.063 -2.955 1.00 0.00 C ATOM 1900 CE LYS A 119 19.539 10.996 -1.875 1.00 0.00 C ATOM 1901 NZ LYS A 119 19.982 11.649 -0.610 1.00 0.00 N ATOM 1902 OXT LYS A 119 16.407 12.883 -8.233 1.00 0.00 O ATOM 0 H LYS A 119 17.967 10.014 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 119 16.610 11.560 -5.975 1.00 0.00 H new ATOM 0 HB2 LYS A 119 19.324 12.895 -5.548 1.00 0.00 H new ATOM 0 HB3 LYS A 119 17.849 13.427 -4.767 1.00 0.00 H new ATOM 0 HG2 LYS A 119 17.559 11.138 -3.763 1.00 0.00 H new ATOM 0 HG3 LYS A 119 19.043 10.615 -4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 119 20.307 12.415 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 119 18.823 12.926 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 119 18.609 10.452 -1.710 1.00 0.00 H new ATOM 0 HE3 LYS A 119 20.281 10.267 -2.200 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 20.118 10.926 0.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 20.879 12.149 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 19.259 12.328 -0.298 1.00 0.00 H new TER 1916 LYS A 119