USER MOD reduce.3.24.130724 H: found=0, std=0, add=941, rem=0, adj=44 USER MOD reduce.3.24.130724 removed 937 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 86 TYR OH : rot -173:sc= 1.04 USER MOD Set 1.2: A 124 SER OG : rot -78:sc= 2.21 USER MOD Set 2.1: A 49 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 36 GLN : amide:sc= 0.728 K(o=2.3,f=-0.79) USER MOD Set 3.2: A 81 SER OG : rot 83:sc= 1.54 USER MOD Set 4.1: A 16 MET CE :methyl -115:sc= -1.93 (180deg=-4.03!) USER MOD Set 4.2: A 48 ASN :FLIP amide:sc= -0.072 F(o=-3.8,f=-2) USER MOD Set 5.1: A 4 ASN :FLIP amide:sc= -0.766 F(o=-1.9!,f=-0.86) USER MOD Set 5.2: A 6 GLN : amide:sc= -0.0984 X(o=-0.86,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ -122:sc= 0.0918 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot -82:sc= 1.06 USER MOD Single : A 11 ASN : amide:sc= -0.531 K(o=-0.53,f=-5.6!) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.023) USER MOD Single : A 17 THR OG1 : rot 59:sc= 1.2 USER MOD Single : A 18 MET CE :methyl -172:sc= 0 (180deg=-0.0168) USER MOD Single : A 19 THR OG1 : rot 79:sc= 0.687 USER MOD Single : A 20 ASN : amide:sc= 0.41 K(o=0.41,f=-0.94) USER MOD Single : A 21 ASN : amide:sc= 1.11 K(o=1.1,f=-0.19) USER MOD Single : A 24 GLN : amide:sc= -1.16 K(o=-1.2,f=-2.9!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -95:sc= 1.36 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0.0233 USER MOD Single : A 37 MET CE :methyl -172:sc= -0.424 (180deg=-0.556) USER MOD Single : A 40 MET CE :methyl 172:sc= -0.874 (180deg=-0.973) USER MOD Single : A 42 MET CE :methyl 162:sc= -0.124 (180deg=-0.612) USER MOD Single : A 43 MET CE :methyl -149:sc= 0 (180deg=-1.18) USER MOD Single : A 46 SER OG : rot 180:sc= 0.0125 USER MOD Single : A 50 GLN : amide:sc= 0.272 X(o=0.27,f=0) USER MOD Single : A 51 MET CE :methyl -116:sc= -1.2 (180deg=-3.04!) USER MOD Single : A 52 GLN :FLIP amide:sc= 0 F(o=-0.96,f=0) USER MOD Single : A 54 MET CE :methyl -176:sc= -0.645 (180deg=-0.665) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 HIS : no HD1:sc= -0.375 X(o=-0.38,f=-0.033) USER MOD Single : A 66 MET CE :methyl 175:sc= -0.434 (180deg=-0.61) USER MOD Single : A 67 ASN : amide:sc= 0.829 K(o=0.83,f=-3.3!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -161:sc= -0.0326 (180deg=-0.303) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 85 SER OG : rot 180:sc= -0.176 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.18 K(o=1.2,f=-0.17) USER MOD Single : A 92 THR OG1 : rot 81:sc= 1.33 USER MOD Single : A 100 SER OG : rot -84:sc= 0.42 USER MOD Single : A 101 MET CE :methyl -143:sc= -0.087 (180deg=-1.6) USER MOD Single : A 102 MET CE :methyl -173:sc= -2.66! (180deg=-2.77!) USER MOD Single : A 103 GLN : amide:sc= -0.229 X(o=-0.23,f=-0.45) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 ASN :FLIP amide:sc= -0.0291 F(o=-1.9!,f=-0.029) USER MOD Single : A 113 THR OG1 : rot -87:sc= 1.21 USER MOD Single : A 114 ASN : amide:sc= -0.0221 X(o=-0.022,f=-0.36) USER MOD Single : A 117 MET CE :methyl -173:sc= 0 (180deg=-0.0333) USER MOD Single : A 118 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 121 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 MET CE :methyl 143:sc= -0.609 (180deg=-1.26) USER MOD Single : A 127 SER OG : rot -10:sc= 0.976 USER MOD Single : A 129 ASN : amide:sc= -0.108 X(o=-0.11,f=-0.24) USER MOD Single : A 132 SER OG : rot 54:sc= 0.142 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 9.212 -7.666 -0.194 1.00 0.00 N ATOM 2 CA GLY A 1 7.889 -7.271 -0.729 1.00 0.00 C ATOM 3 C GLY A 1 7.738 -5.769 -0.782 1.00 0.00 C ATOM 4 O GLY A 1 8.611 -5.047 -0.297 1.00 0.00 O ATOM 0 H1 GLY A 1 9.708 -8.255 -0.893 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.775 -6.814 0.003 1.00 0.00 H new ATOM 0 H3 GLY A 1 9.084 -8.207 0.685 1.00 0.00 H new ATOM 0 HA2 GLY A 1 7.761 -7.686 -1.729 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.102 -7.695 -0.105 1.00 0.00 H new ATOM 7 N SER A 2 6.633 -5.306 -1.359 1.00 0.00 N ATOM 8 CA SER A 2 6.362 -3.878 -1.510 1.00 0.00 C ATOM 9 C SER A 2 7.457 -3.197 -2.336 1.00 0.00 C ATOM 10 O SER A 2 8.273 -2.439 -1.812 1.00 0.00 O ATOM 11 CB SER A 2 6.213 -3.199 -0.141 1.00 0.00 C ATOM 12 OG SER A 2 5.216 -3.841 0.645 1.00 0.00 O ATOM 0 H SER A 2 5.901 -5.908 -1.735 1.00 0.00 H new ATOM 0 HA SER A 2 5.418 -3.772 -2.045 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.167 -3.223 0.386 1.00 0.00 H new ATOM 0 HB3 SER A 2 5.952 -2.150 -0.279 1.00 0.00 H new ATOM 0 HG SER A 2 5.142 -3.390 1.512 1.00 0.00 H new ATOM 18 N GLY A 3 7.478 -3.496 -3.627 1.00 0.00 N ATOM 19 CA GLY A 3 8.459 -2.906 -4.513 1.00 0.00 C ATOM 20 C GLY A 3 7.831 -2.451 -5.810 1.00 0.00 C ATOM 21 O GLY A 3 7.088 -3.205 -6.445 1.00 0.00 O ATOM 0 H GLY A 3 6.829 -4.141 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 3 8.933 -2.057 -4.020 1.00 0.00 H new ATOM 0 HA3 GLY A 3 9.245 -3.632 -4.723 1.00 0.00 H new ATOM 25 N ASN A 4 8.110 -1.218 -6.206 1.00 0.00 N ATOM 26 CA ASN A 4 7.512 -0.654 -7.407 1.00 0.00 C ATOM 27 C ASN A 4 8.406 0.443 -7.988 1.00 0.00 C ATOM 28 O ASN A 4 9.112 1.133 -7.252 1.00 0.00 O ATOM 29 CB ASN A 4 6.114 -0.115 -7.083 1.00 0.00 C ATOM 30 CG ASN A 4 5.376 0.375 -8.313 1.00 0.00 C ATOM 31 OD1 ASN A 4 5.366 1.680 -8.513 1.00 0.00 O flip ATOM 32 ND2 ASN A 4 4.781 -0.408 -9.050 1.00 0.00 N flip ATOM 0 H ASN A 4 8.746 -0.590 -5.714 1.00 0.00 H new ATOM 0 HA ASN A 4 7.416 -1.436 -8.161 1.00 0.00 H new ATOM 0 HB2 ASN A 4 5.529 -0.899 -6.602 1.00 0.00 H new ATOM 0 HB3 ASN A 4 6.201 0.702 -6.367 1.00 0.00 H new ATOM 0 HD21 ASN A 4 4.813 -1.410 -8.862 1.00 0.00 H new ATOM 0 HD22 ASN A 4 4.255 -0.056 -9.850 1.00 0.00 H new ATOM 39 N SER A 5 8.358 0.601 -9.310 1.00 0.00 N ATOM 40 CA SER A 5 9.271 1.493 -10.032 1.00 0.00 C ATOM 41 C SER A 5 8.909 2.974 -9.869 1.00 0.00 C ATOM 42 O SER A 5 9.486 3.836 -10.530 1.00 0.00 O ATOM 43 CB SER A 5 9.263 1.121 -11.514 1.00 0.00 C ATOM 44 OG SER A 5 9.379 -0.283 -11.687 1.00 0.00 O ATOM 0 H SER A 5 7.690 0.118 -9.910 1.00 0.00 H new ATOM 0 HA SER A 5 10.265 1.362 -9.605 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.341 1.473 -11.976 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.086 1.623 -12.023 1.00 0.00 H new ATOM 0 HG SER A 5 9.370 -0.497 -12.643 1.00 0.00 H new ATOM 50 N GLN A 6 7.955 3.270 -8.999 1.00 0.00 N ATOM 51 CA GLN A 6 7.571 4.647 -8.733 1.00 0.00 C ATOM 52 C GLN A 6 8.143 5.118 -7.398 1.00 0.00 C ATOM 53 O GLN A 6 7.702 4.675 -6.341 1.00 0.00 O ATOM 54 CB GLN A 6 6.049 4.812 -8.728 1.00 0.00 C ATOM 55 CG GLN A 6 5.424 5.015 -10.106 1.00 0.00 C ATOM 56 CD GLN A 6 5.501 3.789 -10.993 1.00 0.00 C ATOM 57 OE1 GLN A 6 4.627 2.923 -10.944 1.00 0.00 O ATOM 58 NE2 GLN A 6 6.528 3.712 -11.820 1.00 0.00 N ATOM 0 H GLN A 6 7.433 2.575 -8.466 1.00 0.00 H new ATOM 0 HA GLN A 6 7.982 5.260 -9.535 1.00 0.00 H new ATOM 0 HB2 GLN A 6 5.603 3.930 -8.268 1.00 0.00 H new ATOM 0 HB3 GLN A 6 5.792 5.664 -8.098 1.00 0.00 H new ATOM 0 HG2 GLN A 6 4.379 5.300 -9.983 1.00 0.00 H new ATOM 0 HG3 GLN A 6 5.924 5.846 -10.604 1.00 0.00 H new ATOM 0 HE21 GLN A 6 7.231 4.451 -11.830 1.00 0.00 H new ATOM 0 HE22 GLN A 6 6.618 2.914 -12.449 1.00 0.00 H new ATOM 67 N PRO A 7 9.160 5.996 -7.438 1.00 0.00 N ATOM 68 CA PRO A 7 9.770 6.573 -6.232 1.00 0.00 C ATOM 69 C PRO A 7 8.855 7.559 -5.494 1.00 0.00 C ATOM 70 O PRO A 7 7.651 7.626 -5.740 1.00 0.00 O ATOM 71 CB PRO A 7 11.011 7.313 -6.764 1.00 0.00 C ATOM 72 CG PRO A 7 11.194 6.839 -8.167 1.00 0.00 C ATOM 73 CD PRO A 7 9.829 6.456 -8.659 1.00 0.00 C ATOM 0 HA PRO A 7 9.989 5.794 -5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 7 10.867 8.393 -6.731 1.00 0.00 H new ATOM 0 HB3 PRO A 7 11.889 7.090 -6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 7 11.627 7.622 -8.789 1.00 0.00 H new ATOM 0 HG3 PRO A 7 11.875 5.989 -8.205 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.310 7.302 -9.110 1.00 0.00 H new ATOM 0 HD3 PRO A 7 9.877 5.671 -9.414 1.00 0.00 H new ATOM 81 N ILE A 8 9.462 8.337 -4.599 1.00 0.00 N ATOM 82 CA ILE A 8 8.741 9.280 -3.738 1.00 0.00 C ATOM 83 C ILE A 8 8.137 10.447 -4.534 1.00 0.00 C ATOM 84 O ILE A 8 7.218 11.119 -4.065 1.00 0.00 O ATOM 85 CB ILE A 8 9.689 9.822 -2.635 1.00 0.00 C ATOM 86 CG1 ILE A 8 8.984 10.820 -1.707 1.00 0.00 C ATOM 87 CG2 ILE A 8 10.922 10.462 -3.253 1.00 0.00 C ATOM 88 CD1 ILE A 8 8.051 10.181 -0.709 1.00 0.00 C ATOM 0 H ILE A 8 10.471 8.333 -4.448 1.00 0.00 H new ATOM 0 HA ILE A 8 7.915 8.738 -3.278 1.00 0.00 H new ATOM 0 HB ILE A 8 9.995 8.969 -2.030 1.00 0.00 H new ATOM 0 HG12 ILE A 8 9.738 11.393 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 8 8.420 11.528 -2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 8 11.573 10.835 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 8 11.459 9.721 -3.845 1.00 0.00 H new ATOM 0 HG23 ILE A 8 10.619 11.289 -3.895 1.00 0.00 H new ATOM 0 HD11 ILE A 8 7.593 10.954 -0.092 1.00 0.00 H new ATOM 0 HD12 ILE A 8 7.273 9.631 -1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 8 8.612 9.495 -0.074 1.00 0.00 H new ATOM 100 N TRP A 9 8.626 10.665 -5.751 1.00 0.00 N ATOM 101 CA TRP A 9 8.163 11.784 -6.577 1.00 0.00 C ATOM 102 C TRP A 9 6.828 11.458 -7.256 1.00 0.00 C ATOM 103 O TRP A 9 6.531 11.961 -8.337 1.00 0.00 O ATOM 104 CB TRP A 9 9.204 12.129 -7.650 1.00 0.00 C ATOM 105 CG TRP A 9 10.584 12.388 -7.118 1.00 0.00 C ATOM 106 CD1 TRP A 9 11.637 11.520 -7.127 1.00 0.00 C ATOM 107 CD2 TRP A 9 11.066 13.597 -6.516 1.00 0.00 C ATOM 108 NE1 TRP A 9 12.742 12.110 -6.562 1.00 0.00 N ATOM 109 CE2 TRP A 9 12.418 13.386 -6.181 1.00 0.00 C ATOM 110 CE3 TRP A 9 10.488 14.835 -6.229 1.00 0.00 C ATOM 111 CZ2 TRP A 9 13.196 14.370 -5.573 1.00 0.00 C ATOM 112 CZ3 TRP A 9 11.260 15.809 -5.626 1.00 0.00 C ATOM 113 CH2 TRP A 9 12.603 15.573 -5.304 1.00 0.00 C ATOM 0 H TRP A 9 9.341 10.085 -6.190 1.00 0.00 H new ATOM 0 HA TRP A 9 8.022 12.640 -5.917 1.00 0.00 H new ATOM 0 HB2 TRP A 9 9.253 11.310 -8.368 1.00 0.00 H new ATOM 0 HB3 TRP A 9 8.867 13.011 -8.195 1.00 0.00 H new ATOM 0 HD1 TRP A 9 11.606 10.515 -7.521 1.00 0.00 H new ATOM 0 HE1 TRP A 9 13.655 11.670 -6.445 1.00 0.00 H new ATOM 0 HE3 TRP A 9 9.454 15.028 -6.474 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 14.231 14.189 -5.323 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 10.821 16.769 -5.399 1.00 0.00 H new ATOM 0 HH2 TRP A 9 13.181 16.355 -4.835 1.00 0.00 H new ATOM 124 N THR A 10 6.026 10.621 -6.614 1.00 0.00 N ATOM 125 CA THR A 10 4.733 10.233 -7.153 1.00 0.00 C ATOM 126 C THR A 10 3.647 11.222 -6.754 1.00 0.00 C ATOM 127 O THR A 10 2.793 11.589 -7.562 1.00 0.00 O ATOM 128 CB THR A 10 4.344 8.834 -6.656 1.00 0.00 C ATOM 129 OG1 THR A 10 4.990 8.569 -5.400 1.00 0.00 O ATOM 130 CG2 THR A 10 4.727 7.775 -7.668 1.00 0.00 C ATOM 0 H THR A 10 6.251 10.196 -5.714 1.00 0.00 H new ATOM 0 HA THR A 10 4.821 10.227 -8.239 1.00 0.00 H new ATOM 0 HB THR A 10 3.263 8.803 -6.522 1.00 0.00 H new ATOM 0 HG1 THR A 10 5.906 8.261 -5.562 1.00 0.00 H new ATOM 0 HG21 THR A 10 4.441 6.793 -7.293 1.00 0.00 H new ATOM 0 HG22 THR A 10 4.212 7.968 -8.609 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.804 7.801 -7.832 1.00 0.00 H new ATOM 138 N ASN A 11 3.687 11.642 -5.502 1.00 0.00 N ATOM 139 CA ASN A 11 2.700 12.570 -4.975 1.00 0.00 C ATOM 140 C ASN A 11 3.368 13.875 -4.571 1.00 0.00 C ATOM 141 O ASN A 11 4.269 13.882 -3.726 1.00 0.00 O ATOM 142 CB ASN A 11 1.968 11.940 -3.782 1.00 0.00 C ATOM 143 CG ASN A 11 1.047 12.905 -3.050 1.00 0.00 C ATOM 144 OD1 ASN A 11 0.541 13.871 -3.622 1.00 0.00 O ATOM 145 ND2 ASN A 11 0.816 12.646 -1.772 1.00 0.00 N ATOM 0 H ASN A 11 4.396 11.354 -4.828 1.00 0.00 H new ATOM 0 HA ASN A 11 1.967 12.788 -5.752 1.00 0.00 H new ATOM 0 HB2 ASN A 11 1.383 11.090 -4.134 1.00 0.00 H new ATOM 0 HB3 ASN A 11 2.705 11.551 -3.079 1.00 0.00 H new ATOM 0 HD21 ASN A 11 0.203 13.255 -1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 11 1.251 11.837 -1.329 1.00 0.00 H new ATOM 152 N PRO A 12 2.936 14.998 -5.173 1.00 0.00 N ATOM 153 CA PRO A 12 3.504 16.317 -4.897 1.00 0.00 C ATOM 154 C PRO A 12 3.497 16.656 -3.413 1.00 0.00 C ATOM 155 O PRO A 12 4.455 17.227 -2.893 1.00 0.00 O ATOM 156 CB PRO A 12 2.606 17.291 -5.678 1.00 0.00 C ATOM 157 CG PRO A 12 1.406 16.498 -6.078 1.00 0.00 C ATOM 158 CD PRO A 12 1.863 15.073 -6.180 1.00 0.00 C ATOM 0 HA PRO A 12 4.551 16.366 -5.195 1.00 0.00 H new ATOM 0 HB2 PRO A 12 2.324 18.144 -5.061 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.124 17.686 -6.552 1.00 0.00 H new ATOM 0 HG2 PRO A 12 0.609 16.600 -5.342 1.00 0.00 H new ATOM 0 HG3 PRO A 12 1.007 16.848 -7.030 1.00 0.00 H new ATOM 0 HD2 PRO A 12 1.056 14.373 -5.963 1.00 0.00 H new ATOM 0 HD3 PRO A 12 2.229 14.837 -7.179 1.00 0.00 H new ATOM 166 N ASN A 13 2.424 16.281 -2.730 1.00 0.00 N ATOM 167 CA ASN A 13 2.304 16.547 -1.304 1.00 0.00 C ATOM 168 C ASN A 13 3.351 15.760 -0.521 1.00 0.00 C ATOM 169 O ASN A 13 3.990 16.287 0.387 1.00 0.00 O ATOM 170 CB ASN A 13 0.898 16.194 -0.811 1.00 0.00 C ATOM 171 CG ASN A 13 0.724 16.432 0.679 1.00 0.00 C ATOM 172 OD1 ASN A 13 0.917 15.527 1.491 1.00 0.00 O ATOM 173 ND2 ASN A 13 0.368 17.652 1.047 1.00 0.00 N ATOM 0 H ASN A 13 1.627 15.793 -3.139 1.00 0.00 H new ATOM 0 HA ASN A 13 2.475 17.611 -1.138 1.00 0.00 H new ATOM 0 HB2 ASN A 13 0.166 16.788 -1.358 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.691 15.147 -1.035 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.244 17.871 2.036 1.00 0.00 H new ATOM 0 HD22 ASN A 13 0.218 18.374 0.342 1.00 0.00 H new ATOM 180 N ALA A 14 3.551 14.508 -0.910 1.00 0.00 N ATOM 181 CA ALA A 14 4.471 13.620 -0.209 1.00 0.00 C ATOM 182 C ALA A 14 5.915 14.039 -0.439 1.00 0.00 C ATOM 183 O ALA A 14 6.712 14.100 0.500 1.00 0.00 O ATOM 184 CB ALA A 14 4.262 12.185 -0.667 1.00 0.00 C ATOM 0 H ALA A 14 3.086 14.082 -1.712 1.00 0.00 H new ATOM 0 HA ALA A 14 4.264 13.688 0.859 1.00 0.00 H new ATOM 0 HB1 ALA A 14 4.954 11.530 -0.138 1.00 0.00 H new ATOM 0 HB2 ALA A 14 3.238 11.880 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 14 4.445 12.115 -1.739 1.00 0.00 H new ATOM 190 N ALA A 15 6.237 14.340 -1.688 1.00 0.00 N ATOM 191 CA ALA A 15 7.590 14.726 -2.062 1.00 0.00 C ATOM 192 C ALA A 15 7.978 16.038 -1.395 1.00 0.00 C ATOM 193 O ALA A 15 9.076 16.171 -0.860 1.00 0.00 O ATOM 194 CB ALA A 15 7.710 14.839 -3.575 1.00 0.00 C ATOM 0 H ALA A 15 5.576 14.324 -2.464 1.00 0.00 H new ATOM 0 HA ALA A 15 8.276 13.953 -1.717 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.727 15.128 -3.839 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.476 13.877 -4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.012 15.593 -3.940 1.00 0.00 H new ATOM 200 N MET A 16 7.061 16.998 -1.415 1.00 0.00 N ATOM 201 CA MET A 16 7.297 18.292 -0.790 1.00 0.00 C ATOM 202 C MET A 16 7.515 18.132 0.708 1.00 0.00 C ATOM 203 O MET A 16 8.376 18.790 1.289 1.00 0.00 O ATOM 204 CB MET A 16 6.113 19.226 -1.048 1.00 0.00 C ATOM 205 CG MET A 16 6.441 20.461 -1.875 1.00 0.00 C ATOM 206 SD MET A 16 7.391 21.714 -0.982 1.00 0.00 S ATOM 207 CE MET A 16 9.075 21.176 -1.267 1.00 0.00 C ATOM 0 H MET A 16 6.147 16.904 -1.858 1.00 0.00 H new ATOM 0 HA MET A 16 8.196 18.726 -1.228 1.00 0.00 H new ATOM 0 HB2 MET A 16 5.329 18.664 -1.556 1.00 0.00 H new ATOM 0 HB3 MET A 16 5.705 19.546 -0.089 1.00 0.00 H new ATOM 0 HG2 MET A 16 7.002 20.156 -2.758 1.00 0.00 H new ATOM 0 HG3 MET A 16 5.511 20.907 -2.227 1.00 0.00 H new ATOM 0 HE1 MET A 16 9.528 20.880 -0.321 1.00 0.00 H new ATOM 0 HE2 MET A 16 9.075 20.327 -1.950 1.00 0.00 H new ATOM 0 HE3 MET A 16 9.649 21.993 -1.704 1.00 0.00 H new ATOM 217 N THR A 17 6.748 17.236 1.318 1.00 0.00 N ATOM 218 CA THR A 17 6.846 16.989 2.746 1.00 0.00 C ATOM 219 C THR A 17 8.263 16.564 3.142 1.00 0.00 C ATOM 220 O THR A 17 8.861 17.147 4.048 1.00 0.00 O ATOM 221 CB THR A 17 5.834 15.914 3.196 1.00 0.00 C ATOM 222 OG1 THR A 17 4.495 16.370 2.958 1.00 0.00 O ATOM 223 CG2 THR A 17 6.001 15.590 4.675 1.00 0.00 C ATOM 0 H THR A 17 6.049 16.667 0.840 1.00 0.00 H new ATOM 0 HA THR A 17 6.610 17.926 3.251 1.00 0.00 H new ATOM 0 HB THR A 17 6.024 15.010 2.617 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.382 16.570 2.005 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.276 14.830 4.965 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.009 15.216 4.854 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.838 16.491 5.266 1.00 0.00 H new ATOM 231 N MET A 18 8.813 15.569 2.451 1.00 0.00 N ATOM 232 CA MET A 18 10.140 15.062 2.795 1.00 0.00 C ATOM 233 C MET A 18 11.224 16.097 2.492 1.00 0.00 C ATOM 234 O MET A 18 12.265 16.125 3.149 1.00 0.00 O ATOM 235 CB MET A 18 10.429 13.722 2.095 1.00 0.00 C ATOM 236 CG MET A 18 10.408 13.757 0.571 1.00 0.00 C ATOM 237 SD MET A 18 11.900 14.468 -0.148 1.00 0.00 S ATOM 238 CE MET A 18 11.604 14.167 -1.886 1.00 0.00 C ATOM 0 H MET A 18 8.369 15.103 1.660 1.00 0.00 H new ATOM 0 HA MET A 18 10.154 14.877 3.869 1.00 0.00 H new ATOM 0 HB2 MET A 18 11.407 13.367 2.419 1.00 0.00 H new ATOM 0 HB3 MET A 18 9.696 12.990 2.434 1.00 0.00 H new ATOM 0 HG2 MET A 18 10.279 12.743 0.193 1.00 0.00 H new ATOM 0 HG3 MET A 18 9.544 14.333 0.240 1.00 0.00 H new ATOM 0 HE1 MET A 18 12.498 14.420 -2.456 1.00 0.00 H new ATOM 0 HE2 MET A 18 11.362 13.115 -2.037 1.00 0.00 H new ATOM 0 HE3 MET A 18 10.771 14.783 -2.225 1.00 0.00 H new ATOM 248 N THR A 19 10.961 16.960 1.518 1.00 0.00 N ATOM 249 CA THR A 19 11.874 18.037 1.182 1.00 0.00 C ATOM 250 C THR A 19 11.880 19.111 2.274 1.00 0.00 C ATOM 251 O THR A 19 12.938 19.528 2.744 1.00 0.00 O ATOM 252 CB THR A 19 11.472 18.665 -0.163 1.00 0.00 C ATOM 253 OG1 THR A 19 11.549 17.681 -1.200 1.00 0.00 O ATOM 254 CG2 THR A 19 12.353 19.852 -0.512 1.00 0.00 C ATOM 0 H THR A 19 10.117 16.931 0.946 1.00 0.00 H new ATOM 0 HA THR A 19 12.878 17.621 1.103 1.00 0.00 H new ATOM 0 HB THR A 19 10.447 19.025 -0.072 1.00 0.00 H new ATOM 0 HG1 THR A 19 10.752 17.111 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.039 20.269 -1.469 1.00 0.00 H new ATOM 0 HG22 THR A 19 12.262 20.613 0.263 1.00 0.00 H new ATOM 0 HG23 THR A 19 13.391 19.527 -0.581 1.00 0.00 H new ATOM 262 N ASN A 20 10.693 19.534 2.691 1.00 0.00 N ATOM 263 CA ASN A 20 10.555 20.605 3.672 1.00 0.00 C ATOM 264 C ASN A 20 11.081 20.186 5.038 1.00 0.00 C ATOM 265 O ASN A 20 11.663 20.995 5.764 1.00 0.00 O ATOM 266 CB ASN A 20 9.095 21.030 3.784 1.00 0.00 C ATOM 267 CG ASN A 20 8.634 21.825 2.580 1.00 0.00 C ATOM 268 OD1 ASN A 20 9.396 22.596 1.997 1.00 0.00 O ATOM 269 ND2 ASN A 20 7.391 21.624 2.182 1.00 0.00 N ATOM 0 H ASN A 20 9.807 19.150 2.363 1.00 0.00 H new ATOM 0 HA ASN A 20 11.153 21.449 3.328 1.00 0.00 H new ATOM 0 HB2 ASN A 20 8.469 20.145 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 20 8.961 21.629 4.685 1.00 0.00 H new ATOM 0 HD21 ASN A 20 7.031 22.116 1.364 1.00 0.00 H new ATOM 0 HD22 ASN A 20 6.790 20.976 2.692 1.00 0.00 H new ATOM 276 N ASN A 21 10.891 18.916 5.386 1.00 0.00 N ATOM 277 CA ASN A 21 11.372 18.406 6.662 1.00 0.00 C ATOM 278 C ASN A 21 12.891 18.430 6.721 1.00 0.00 C ATOM 279 O ASN A 21 13.475 18.528 7.798 1.00 0.00 O ATOM 280 CB ASN A 21 10.874 16.988 6.929 1.00 0.00 C ATOM 281 CG ASN A 21 9.483 16.946 7.512 1.00 0.00 C ATOM 282 OD1 ASN A 21 9.303 17.072 8.721 1.00 0.00 O ATOM 283 ND2 ASN A 21 8.498 16.746 6.661 1.00 0.00 N ATOM 0 H ASN A 21 10.411 18.228 4.806 1.00 0.00 H new ATOM 0 HA ASN A 21 10.973 19.063 7.435 1.00 0.00 H new ATOM 0 HB2 ASN A 21 10.887 16.424 5.997 1.00 0.00 H new ATOM 0 HB3 ASN A 21 11.562 16.491 7.612 1.00 0.00 H new ATOM 0 HD21 ASN A 21 7.537 16.690 6.998 1.00 0.00 H new ATOM 0 HD22 ASN A 21 8.696 16.647 5.665 1.00 0.00 H new ATOM 290 N LEU A 22 13.530 18.342 5.562 1.00 0.00 N ATOM 291 CA LEU A 22 14.981 18.418 5.487 1.00 0.00 C ATOM 292 C LEU A 22 15.443 19.787 5.963 1.00 0.00 C ATOM 293 O LEU A 22 16.405 19.908 6.721 1.00 0.00 O ATOM 294 CB LEU A 22 15.456 18.165 4.051 1.00 0.00 C ATOM 295 CG LEU A 22 16.965 18.287 3.822 1.00 0.00 C ATOM 296 CD1 LEU A 22 17.717 17.217 4.595 1.00 0.00 C ATOM 297 CD2 LEU A 22 17.282 18.202 2.336 1.00 0.00 C ATOM 0 H LEU A 22 13.066 18.218 4.662 1.00 0.00 H new ATOM 0 HA LEU A 22 15.412 17.651 6.130 1.00 0.00 H new ATOM 0 HB2 LEU A 22 15.141 17.164 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 22 14.948 18.868 3.390 1.00 0.00 H new ATOM 0 HG LEU A 22 17.292 19.259 4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 22 18.787 17.324 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 22 17.514 17.327 5.660 1.00 0.00 H new ATOM 0 HD13 LEU A 22 17.390 16.231 4.263 1.00 0.00 H new ATOM 0 HD21 LEU A 22 18.358 18.290 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 22 16.939 17.244 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 22 16.776 19.011 1.809 1.00 0.00 H new ATOM 309 N VAL A 23 14.721 20.811 5.533 1.00 0.00 N ATOM 310 CA VAL A 23 15.037 22.181 5.899 1.00 0.00 C ATOM 311 C VAL A 23 14.788 22.420 7.388 1.00 0.00 C ATOM 312 O VAL A 23 15.641 22.962 8.085 1.00 0.00 O ATOM 313 CB VAL A 23 14.205 23.185 5.071 1.00 0.00 C ATOM 314 CG1 VAL A 23 14.604 24.620 5.388 1.00 0.00 C ATOM 315 CG2 VAL A 23 14.351 22.905 3.581 1.00 0.00 C ATOM 0 H VAL A 23 13.907 20.716 4.926 1.00 0.00 H new ATOM 0 HA VAL A 23 16.094 22.338 5.685 1.00 0.00 H new ATOM 0 HB VAL A 23 13.158 23.058 5.344 1.00 0.00 H new ATOM 0 HG11 VAL A 23 14.002 25.305 4.791 1.00 0.00 H new ATOM 0 HG12 VAL A 23 14.437 24.819 6.447 1.00 0.00 H new ATOM 0 HG13 VAL A 23 15.659 24.765 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 23 13.757 23.623 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 23 15.399 22.996 3.295 1.00 0.00 H new ATOM 0 HG23 VAL A 23 14.002 21.895 3.365 1.00 0.00 H new ATOM 325 N GLN A 24 13.628 21.983 7.879 1.00 0.00 N ATOM 326 CA GLN A 24 13.263 22.224 9.275 1.00 0.00 C ATOM 327 C GLN A 24 14.202 21.474 10.219 1.00 0.00 C ATOM 328 O GLN A 24 14.540 21.968 11.291 1.00 0.00 O ATOM 329 CB GLN A 24 11.790 21.845 9.538 1.00 0.00 C ATOM 330 CG GLN A 24 11.480 20.354 9.457 1.00 0.00 C ATOM 331 CD GLN A 24 11.773 19.605 10.746 1.00 0.00 C ATOM 332 OE1 GLN A 24 11.678 20.161 11.834 1.00 0.00 O ATOM 333 NE2 GLN A 24 12.151 18.342 10.628 1.00 0.00 N ATOM 0 H GLN A 24 12.933 21.467 7.339 1.00 0.00 H new ATOM 0 HA GLN A 24 13.370 23.291 9.472 1.00 0.00 H new ATOM 0 HB2 GLN A 24 11.510 22.205 10.528 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.162 22.370 8.818 1.00 0.00 H new ATOM 0 HG2 GLN A 24 10.429 20.223 9.200 1.00 0.00 H new ATOM 0 HG3 GLN A 24 12.063 19.913 8.649 1.00 0.00 H new ATOM 0 HE21 GLN A 24 12.218 17.914 9.705 1.00 0.00 H new ATOM 0 HE22 GLN A 24 12.375 17.797 11.460 1.00 0.00 H new ATOM 342 N CYS A 25 14.635 20.290 9.801 1.00 0.00 N ATOM 343 CA CYS A 25 15.523 19.475 10.616 1.00 0.00 C ATOM 344 C CYS A 25 16.901 20.110 10.704 1.00 0.00 C ATOM 345 O CYS A 25 17.500 20.177 11.779 1.00 0.00 O ATOM 346 CB CYS A 25 15.630 18.063 10.043 1.00 0.00 C ATOM 347 SG CYS A 25 16.847 17.010 10.895 1.00 0.00 S ATOM 0 H CYS A 25 14.385 19.875 8.903 1.00 0.00 H new ATOM 0 HA CYS A 25 15.104 19.414 11.620 1.00 0.00 H new ATOM 0 HB2 CYS A 25 14.652 17.585 10.095 1.00 0.00 H new ATOM 0 HB3 CYS A 25 15.897 18.129 8.988 1.00 0.00 H new ATOM 352 N ALA A 26 17.395 20.595 9.573 1.00 0.00 N ATOM 353 CA ALA A 26 18.704 21.224 9.528 1.00 0.00 C ATOM 354 C ALA A 26 18.679 22.566 10.248 1.00 0.00 C ATOM 355 O ALA A 26 19.691 23.007 10.790 1.00 0.00 O ATOM 356 CB ALA A 26 19.162 21.388 8.091 1.00 0.00 C ATOM 0 H ALA A 26 16.909 20.564 8.677 1.00 0.00 H new ATOM 0 HA ALA A 26 19.417 20.579 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 26 20.144 21.861 8.074 1.00 0.00 H new ATOM 0 HB2 ALA A 26 19.222 20.410 7.614 1.00 0.00 H new ATOM 0 HB3 ALA A 26 18.450 22.012 7.551 1.00 0.00 H new ATOM 362 N SER A 27 17.512 23.196 10.270 1.00 0.00 N ATOM 363 CA SER A 27 17.327 24.447 10.993 1.00 0.00 C ATOM 364 C SER A 27 17.402 24.208 12.500 1.00 0.00 C ATOM 365 O SER A 27 17.660 25.126 13.276 1.00 0.00 O ATOM 366 CB SER A 27 15.974 25.072 10.626 1.00 0.00 C ATOM 367 OG SER A 27 15.802 26.338 11.243 1.00 0.00 O ATOM 0 H SER A 27 16.676 22.859 9.793 1.00 0.00 H new ATOM 0 HA SER A 27 18.124 25.134 10.709 1.00 0.00 H new ATOM 0 HB2 SER A 27 15.904 25.181 9.544 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.169 24.404 10.932 1.00 0.00 H new ATOM 0 HG SER A 27 14.932 26.710 10.989 1.00 0.00 H new ATOM 373 N ARG A 28 17.188 22.963 12.902 1.00 0.00 N ATOM 374 CA ARG A 28 17.191 22.598 14.309 1.00 0.00 C ATOM 375 C ARG A 28 18.462 21.843 14.680 1.00 0.00 C ATOM 376 O ARG A 28 18.570 21.294 15.777 1.00 0.00 O ATOM 377 CB ARG A 28 15.976 21.751 14.621 1.00 0.00 C ATOM 378 CG ARG A 28 14.686 22.543 14.619 1.00 0.00 C ATOM 379 CD ARG A 28 13.530 21.643 14.951 1.00 0.00 C ATOM 380 NE ARG A 28 12.236 22.285 14.737 1.00 0.00 N ATOM 381 CZ ARG A 28 11.085 21.622 14.643 1.00 0.00 C ATOM 382 NH1 ARG A 28 11.066 20.297 14.752 1.00 0.00 N ATOM 383 NH2 ARG A 28 9.953 22.279 14.436 1.00 0.00 N ATOM 0 H ARG A 28 17.009 22.185 12.267 1.00 0.00 H new ATOM 0 HA ARG A 28 17.158 23.514 14.899 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.903 20.947 13.889 1.00 0.00 H new ATOM 0 HB3 ARG A 28 16.107 21.283 15.597 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.746 23.354 15.345 1.00 0.00 H new ATOM 0 HG3 ARG A 28 14.532 23.001 13.642 1.00 0.00 H new ATOM 0 HD2 ARG A 28 13.589 20.742 14.340 1.00 0.00 H new ATOM 0 HD3 ARG A 28 13.607 21.328 15.992 1.00 0.00 H new ATOM 0 HE ARG A 28 12.212 23.301 14.655 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.935 19.786 14.908 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.183 19.792 14.680 1.00 0.00 H new ATOM 0 HH21 ARG A 28 9.962 23.295 14.348 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.073 21.769 14.364 1.00 0.00 H new ATOM 397 N SER A 29 19.426 21.821 13.766 1.00 0.00 N ATOM 398 CA SER A 29 20.659 21.079 13.983 1.00 0.00 C ATOM 399 C SER A 29 21.537 21.767 15.023 1.00 0.00 C ATOM 400 O SER A 29 22.046 21.129 15.945 1.00 0.00 O ATOM 401 CB SER A 29 21.431 20.932 12.667 1.00 0.00 C ATOM 402 OG SER A 29 21.791 22.202 12.139 1.00 0.00 O ATOM 0 H SER A 29 19.376 22.307 12.871 1.00 0.00 H new ATOM 0 HA SER A 29 20.394 20.090 14.356 1.00 0.00 H new ATOM 0 HB2 SER A 29 22.329 20.336 12.833 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.821 20.393 11.942 1.00 0.00 H new ATOM 0 HG SER A 29 21.114 22.491 11.492 1.00 0.00 H new ATOM 408 N GLY A 30 21.700 23.074 14.868 1.00 0.00 N ATOM 409 CA GLY A 30 22.610 23.812 15.717 1.00 0.00 C ATOM 410 C GLY A 30 24.036 23.695 15.223 1.00 0.00 C ATOM 411 O GLY A 30 24.981 24.062 15.918 1.00 0.00 O ATOM 0 H GLY A 30 21.217 23.636 14.168 1.00 0.00 H new ATOM 0 HA2 GLY A 30 22.317 24.861 15.744 1.00 0.00 H new ATOM 0 HA3 GLY A 30 22.544 23.437 16.738 1.00 0.00 H new ATOM 415 N VAL A 31 24.185 23.169 14.015 1.00 0.00 N ATOM 416 CA VAL A 31 25.494 22.965 13.414 1.00 0.00 C ATOM 417 C VAL A 31 25.704 23.906 12.230 1.00 0.00 C ATOM 418 O VAL A 31 26.806 24.402 12.005 1.00 0.00 O ATOM 419 CB VAL A 31 25.664 21.501 12.944 1.00 0.00 C ATOM 420 CG1 VAL A 31 26.998 21.302 12.241 1.00 0.00 C ATOM 421 CG2 VAL A 31 25.538 20.546 14.121 1.00 0.00 C ATOM 0 H VAL A 31 23.406 22.873 13.427 1.00 0.00 H new ATOM 0 HA VAL A 31 26.241 23.182 14.177 1.00 0.00 H new ATOM 0 HB VAL A 31 24.870 21.283 12.230 1.00 0.00 H new ATOM 0 HG11 VAL A 31 27.090 20.264 11.922 1.00 0.00 H new ATOM 0 HG12 VAL A 31 27.051 21.955 11.370 1.00 0.00 H new ATOM 0 HG13 VAL A 31 27.810 21.544 12.927 1.00 0.00 H new ATOM 0 HG21 VAL A 31 25.660 19.521 13.772 1.00 0.00 H new ATOM 0 HG22 VAL A 31 26.309 20.773 14.858 1.00 0.00 H new ATOM 0 HG23 VAL A 31 24.555 20.659 14.578 1.00 0.00 H new ATOM 431 N LEU A 32 24.637 24.160 11.482 1.00 0.00 N ATOM 432 CA LEU A 32 24.733 24.986 10.287 1.00 0.00 C ATOM 433 C LEU A 32 24.749 26.463 10.648 1.00 0.00 C ATOM 434 O LEU A 32 24.548 26.842 11.801 1.00 0.00 O ATOM 435 CB LEU A 32 23.563 24.720 9.338 1.00 0.00 C ATOM 436 CG LEU A 32 23.310 23.257 8.989 1.00 0.00 C ATOM 437 CD1 LEU A 32 22.211 23.149 7.949 1.00 0.00 C ATOM 438 CD2 LEU A 32 24.575 22.586 8.489 1.00 0.00 C ATOM 0 H LEU A 32 23.701 23.808 11.681 1.00 0.00 H new ATOM 0 HA LEU A 32 25.666 24.724 9.789 1.00 0.00 H new ATOM 0 HB2 LEU A 32 22.657 25.129 9.785 1.00 0.00 H new ATOM 0 HB3 LEU A 32 23.738 25.269 8.413 1.00 0.00 H new ATOM 0 HG LEU A 32 22.992 22.743 9.896 1.00 0.00 H new ATOM 0 HD11 LEU A 32 22.040 22.100 7.708 1.00 0.00 H new ATOM 0 HD12 LEU A 32 21.293 23.585 8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 32 22.509 23.684 7.047 1.00 0.00 H new ATOM 0 HD21 LEU A 32 24.363 21.544 8.248 1.00 0.00 H new ATOM 0 HD22 LEU A 32 24.931 23.100 7.596 1.00 0.00 H new ATOM 0 HD23 LEU A 32 25.341 22.631 9.263 1.00 0.00 H new ATOM 450 N THR A 33 24.968 27.289 9.642 1.00 0.00 N ATOM 451 CA THR A 33 24.989 28.729 9.827 1.00 0.00 C ATOM 452 C THR A 33 23.643 29.323 9.439 1.00 0.00 C ATOM 453 O THR A 33 22.809 28.645 8.835 1.00 0.00 O ATOM 454 CB THR A 33 26.102 29.390 8.984 1.00 0.00 C ATOM 455 OG1 THR A 33 25.868 29.155 7.591 1.00 0.00 O ATOM 456 CG2 THR A 33 27.468 28.843 9.365 1.00 0.00 C ATOM 0 H THR A 33 25.135 26.985 8.683 1.00 0.00 H new ATOM 0 HA THR A 33 25.192 28.926 10.880 1.00 0.00 H new ATOM 0 HB THR A 33 26.085 30.462 9.183 1.00 0.00 H new ATOM 0 HG1 THR A 33 26.577 29.579 7.064 1.00 0.00 H new ATOM 0 HG21 THR A 33 28.235 29.324 8.758 1.00 0.00 H new ATOM 0 HG22 THR A 33 27.660 29.045 10.419 1.00 0.00 H new ATOM 0 HG23 THR A 33 27.490 27.767 9.192 1.00 0.00 H new ATOM 464 N ALA A 34 23.439 30.588 9.773 1.00 0.00 N ATOM 465 CA ALA A 34 22.202 31.275 9.431 1.00 0.00 C ATOM 466 C ALA A 34 22.112 31.462 7.924 1.00 0.00 C ATOM 467 O ALA A 34 21.023 31.520 7.351 1.00 0.00 O ATOM 468 CB ALA A 34 22.121 32.610 10.153 1.00 0.00 C ATOM 0 H ALA A 34 24.114 31.160 10.281 1.00 0.00 H new ATOM 0 HA ALA A 34 21.356 30.668 9.753 1.00 0.00 H new ATOM 0 HB1 ALA A 34 21.191 33.112 9.887 1.00 0.00 H new ATOM 0 HB2 ALA A 34 22.149 32.444 11.230 1.00 0.00 H new ATOM 0 HB3 ALA A 34 22.966 33.234 9.861 1.00 0.00 H new ATOM 474 N ASP A 35 23.276 31.537 7.293 1.00 0.00 N ATOM 475 CA ASP A 35 23.375 31.639 5.841 1.00 0.00 C ATOM 476 C ASP A 35 23.044 30.297 5.197 1.00 0.00 C ATOM 477 O ASP A 35 22.224 30.212 4.282 1.00 0.00 O ATOM 478 CB ASP A 35 24.797 32.069 5.460 1.00 0.00 C ATOM 479 CG ASP A 35 25.020 32.128 3.962 1.00 0.00 C ATOM 480 OD1 ASP A 35 24.687 33.163 3.349 1.00 0.00 O ATOM 481 OD2 ASP A 35 25.562 31.158 3.397 1.00 0.00 O ATOM 0 H ASP A 35 24.177 31.529 7.771 1.00 0.00 H new ATOM 0 HA ASP A 35 22.663 32.382 5.481 1.00 0.00 H new ATOM 0 HB2 ASP A 35 25.001 33.049 5.890 1.00 0.00 H new ATOM 0 HB3 ASP A 35 25.511 31.373 5.900 1.00 0.00 H new ATOM 486 N GLN A 36 23.666 29.254 5.726 1.00 0.00 N ATOM 487 CA GLN A 36 23.547 27.905 5.188 1.00 0.00 C ATOM 488 C GLN A 36 22.105 27.408 5.222 1.00 0.00 C ATOM 489 O GLN A 36 21.611 26.831 4.249 1.00 0.00 O ATOM 490 CB GLN A 36 24.444 26.969 5.994 1.00 0.00 C ATOM 491 CG GLN A 36 24.648 25.605 5.373 1.00 0.00 C ATOM 492 CD GLN A 36 25.919 24.947 5.868 1.00 0.00 C ATOM 493 OE1 GLN A 36 26.332 25.142 7.012 1.00 0.00 O ATOM 494 NE2 GLN A 36 26.565 24.201 4.994 1.00 0.00 N ATOM 0 H GLN A 36 24.271 29.319 6.545 1.00 0.00 H new ATOM 0 HA GLN A 36 23.860 27.920 4.144 1.00 0.00 H new ATOM 0 HB2 GLN A 36 25.417 27.443 6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 36 24.014 26.841 6.988 1.00 0.00 H new ATOM 0 HG2 GLN A 36 23.794 24.968 5.606 1.00 0.00 H new ATOM 0 HG3 GLN A 36 24.687 25.702 4.288 1.00 0.00 H new ATOM 0 HE21 GLN A 36 26.184 24.068 4.057 1.00 0.00 H new ATOM 0 HE22 GLN A 36 27.446 23.757 5.255 1.00 0.00 H new ATOM 503 N MET A 37 21.428 27.645 6.337 1.00 0.00 N ATOM 504 CA MET A 37 20.048 27.193 6.501 1.00 0.00 C ATOM 505 C MET A 37 19.111 27.962 5.580 1.00 0.00 C ATOM 506 O MET A 37 18.083 27.440 5.147 1.00 0.00 O ATOM 507 CB MET A 37 19.597 27.353 7.957 1.00 0.00 C ATOM 508 CG MET A 37 20.371 26.483 8.935 1.00 0.00 C ATOM 509 SD MET A 37 19.802 26.660 10.639 1.00 0.00 S ATOM 510 CE MET A 37 20.144 28.389 10.945 1.00 0.00 C ATOM 0 H MET A 37 21.808 28.146 7.140 1.00 0.00 H new ATOM 0 HA MET A 37 20.008 26.137 6.233 1.00 0.00 H new ATOM 0 HB2 MET A 37 19.705 28.398 8.249 1.00 0.00 H new ATOM 0 HB3 MET A 37 18.537 27.110 8.029 1.00 0.00 H new ATOM 0 HG2 MET A 37 20.281 25.439 8.634 1.00 0.00 H new ATOM 0 HG3 MET A 37 21.429 26.740 8.882 1.00 0.00 H new ATOM 0 HE1 MET A 37 19.978 28.612 11.999 1.00 0.00 H new ATOM 0 HE2 MET A 37 21.180 28.606 10.687 1.00 0.00 H new ATOM 0 HE3 MET A 37 19.482 29.004 10.336 1.00 0.00 H new ATOM 520 N ASP A 38 19.483 29.193 5.255 1.00 0.00 N ATOM 521 CA ASP A 38 18.627 30.056 4.453 1.00 0.00 C ATOM 522 C ASP A 38 18.617 29.609 2.994 1.00 0.00 C ATOM 523 O ASP A 38 17.577 29.650 2.332 1.00 0.00 O ATOM 524 CB ASP A 38 19.076 31.512 4.562 1.00 0.00 C ATOM 525 CG ASP A 38 18.082 32.465 3.932 1.00 0.00 C ATOM 526 OD1 ASP A 38 17.071 32.796 4.590 1.00 0.00 O ATOM 527 OD2 ASP A 38 18.304 32.892 2.782 1.00 0.00 O ATOM 0 H ASP A 38 20.369 29.615 5.533 1.00 0.00 H new ATOM 0 HA ASP A 38 17.611 29.978 4.841 1.00 0.00 H new ATOM 0 HB2 ASP A 38 19.210 31.771 5.612 1.00 0.00 H new ATOM 0 HB3 ASP A 38 20.046 31.629 4.078 1.00 0.00 H new ATOM 532 N ASP A 39 19.772 29.162 2.500 1.00 0.00 N ATOM 533 CA ASP A 39 19.869 28.627 1.140 1.00 0.00 C ATOM 534 C ASP A 39 18.979 27.400 0.985 1.00 0.00 C ATOM 535 O ASP A 39 18.400 27.166 -0.076 1.00 0.00 O ATOM 536 CB ASP A 39 21.311 28.255 0.781 1.00 0.00 C ATOM 537 CG ASP A 39 22.107 29.422 0.233 1.00 0.00 C ATOM 538 OD1 ASP A 39 21.917 29.774 -0.953 1.00 0.00 O ATOM 539 OD2 ASP A 39 22.939 29.980 0.972 1.00 0.00 O ATOM 0 H ASP A 39 20.651 29.159 3.018 1.00 0.00 H new ATOM 0 HA ASP A 39 19.535 29.411 0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 39 21.811 27.866 1.668 1.00 0.00 H new ATOM 0 HB3 ASP A 39 21.300 27.452 0.044 1.00 0.00 H new ATOM 544 N MET A 40 18.861 26.626 2.058 1.00 0.00 N ATOM 545 CA MET A 40 18.024 25.435 2.047 1.00 0.00 C ATOM 546 C MET A 40 16.561 25.814 1.870 1.00 0.00 C ATOM 547 O MET A 40 15.814 25.135 1.170 1.00 0.00 O ATOM 548 CB MET A 40 18.197 24.631 3.336 1.00 0.00 C ATOM 549 CG MET A 40 19.613 24.129 3.554 1.00 0.00 C ATOM 550 SD MET A 40 19.753 23.028 4.971 1.00 0.00 S ATOM 551 CE MET A 40 18.755 21.641 4.428 1.00 0.00 C ATOM 0 H MET A 40 19.334 26.803 2.944 1.00 0.00 H new ATOM 0 HA MET A 40 18.337 24.815 1.207 1.00 0.00 H new ATOM 0 HB2 MET A 40 17.906 25.252 4.183 1.00 0.00 H new ATOM 0 HB3 MET A 40 17.517 23.779 3.317 1.00 0.00 H new ATOM 0 HG2 MET A 40 19.950 23.606 2.659 1.00 0.00 H new ATOM 0 HG3 MET A 40 20.278 24.981 3.695 1.00 0.00 H new ATOM 0 HE1 MET A 40 18.859 20.819 5.136 1.00 0.00 H new ATOM 0 HE2 MET A 40 17.709 21.944 4.375 1.00 0.00 H new ATOM 0 HE3 MET A 40 19.089 21.316 3.443 1.00 0.00 H new ATOM 561 N GLY A 41 16.163 26.914 2.495 1.00 0.00 N ATOM 562 CA GLY A 41 14.791 27.361 2.397 1.00 0.00 C ATOM 563 C GLY A 41 14.412 27.763 0.986 1.00 0.00 C ATOM 564 O GLY A 41 13.340 27.411 0.501 1.00 0.00 O ATOM 0 H GLY A 41 16.767 27.504 3.068 1.00 0.00 H new ATOM 0 HA2 GLY A 41 14.128 26.565 2.735 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.639 28.208 3.066 1.00 0.00 H new ATOM 568 N MET A 42 15.306 28.477 0.315 1.00 0.00 N ATOM 569 CA MET A 42 15.013 29.007 -1.009 1.00 0.00 C ATOM 570 C MET A 42 15.073 27.922 -2.084 1.00 0.00 C ATOM 571 O MET A 42 14.385 28.023 -3.099 1.00 0.00 O ATOM 572 CB MET A 42 15.962 30.157 -1.359 1.00 0.00 C ATOM 573 CG MET A 42 17.419 29.746 -1.441 1.00 0.00 C ATOM 574 SD MET A 42 18.516 31.108 -1.878 1.00 0.00 S ATOM 575 CE MET A 42 18.246 32.227 -0.506 1.00 0.00 C ATOM 0 H MET A 42 16.237 28.702 0.665 1.00 0.00 H new ATOM 0 HA MET A 42 13.993 29.390 -0.982 1.00 0.00 H new ATOM 0 HB2 MET A 42 15.661 30.586 -2.315 1.00 0.00 H new ATOM 0 HB3 MET A 42 15.857 30.942 -0.610 1.00 0.00 H new ATOM 0 HG2 MET A 42 17.728 29.333 -0.481 1.00 0.00 H new ATOM 0 HG3 MET A 42 17.525 28.951 -2.179 1.00 0.00 H new ATOM 0 HE1 MET A 42 19.063 32.947 -0.457 1.00 0.00 H new ATOM 0 HE2 MET A 42 17.304 32.756 -0.648 1.00 0.00 H new ATOM 0 HE3 MET A 42 18.206 31.660 0.424 1.00 0.00 H new ATOM 585 N MET A 43 15.875 26.882 -1.872 1.00 0.00 N ATOM 586 CA MET A 43 15.982 25.823 -2.865 1.00 0.00 C ATOM 587 C MET A 43 14.765 24.911 -2.774 1.00 0.00 C ATOM 588 O MET A 43 14.327 24.338 -3.770 1.00 0.00 O ATOM 589 CB MET A 43 17.292 25.041 -2.695 1.00 0.00 C ATOM 590 CG MET A 43 17.419 24.272 -1.392 1.00 0.00 C ATOM 591 SD MET A 43 16.559 22.687 -1.416 1.00 0.00 S ATOM 592 CE MET A 43 16.693 22.223 0.303 1.00 0.00 C ATOM 0 H MET A 43 16.449 26.752 -1.039 1.00 0.00 H new ATOM 0 HA MET A 43 16.004 26.267 -3.860 1.00 0.00 H new ATOM 0 HB2 MET A 43 17.388 24.339 -3.524 1.00 0.00 H new ATOM 0 HB3 MET A 43 18.126 25.739 -2.770 1.00 0.00 H new ATOM 0 HG2 MET A 43 18.474 24.102 -1.179 1.00 0.00 H new ATOM 0 HG3 MET A 43 17.024 24.880 -0.579 1.00 0.00 H new ATOM 0 HE1 MET A 43 16.738 21.137 0.384 1.00 0.00 H new ATOM 0 HE2 MET A 43 17.598 22.657 0.727 1.00 0.00 H new ATOM 0 HE3 MET A 43 15.824 22.592 0.848 1.00 0.00 H new ATOM 602 N ALA A 44 14.196 24.822 -1.572 1.00 0.00 N ATOM 603 CA ALA A 44 12.985 24.043 -1.347 1.00 0.00 C ATOM 604 C ALA A 44 11.843 24.585 -2.193 1.00 0.00 C ATOM 605 O ALA A 44 11.003 23.828 -2.685 1.00 0.00 O ATOM 606 CB ALA A 44 12.612 24.053 0.127 1.00 0.00 C ATOM 0 H ALA A 44 14.559 25.283 -0.738 1.00 0.00 H new ATOM 0 HA ALA A 44 13.175 23.012 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 44 11.705 23.467 0.277 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.425 23.621 0.711 1.00 0.00 H new ATOM 0 HB3 ALA A 44 12.438 25.079 0.451 1.00 0.00 H new ATOM 612 N ASP A 45 11.835 25.906 -2.372 1.00 0.00 N ATOM 613 CA ASP A 45 10.848 26.569 -3.216 1.00 0.00 C ATOM 614 C ASP A 45 10.932 26.048 -4.643 1.00 0.00 C ATOM 615 O ASP A 45 9.919 25.712 -5.262 1.00 0.00 O ATOM 616 CB ASP A 45 11.061 28.085 -3.221 1.00 0.00 C ATOM 617 CG ASP A 45 10.751 28.738 -1.891 1.00 0.00 C ATOM 618 OD1 ASP A 45 9.570 28.741 -1.487 1.00 0.00 O ATOM 619 OD2 ASP A 45 11.684 29.279 -1.256 1.00 0.00 O ATOM 0 H ASP A 45 12.507 26.539 -1.939 1.00 0.00 H new ATOM 0 HA ASP A 45 9.862 26.350 -2.806 1.00 0.00 H new ATOM 0 HB2 ASP A 45 12.095 28.299 -3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.432 28.531 -3.992 1.00 0.00 H new ATOM 624 N SER A 46 12.150 25.978 -5.159 1.00 0.00 N ATOM 625 CA SER A 46 12.399 25.514 -6.494 1.00 0.00 C ATOM 626 C SER A 46 12.045 24.034 -6.649 1.00 0.00 C ATOM 627 O SER A 46 11.676 23.587 -7.737 1.00 0.00 O ATOM 628 CB SER A 46 13.867 25.755 -6.791 1.00 0.00 C ATOM 629 OG SER A 46 14.239 27.068 -6.405 1.00 0.00 O ATOM 0 H SER A 46 12.992 26.246 -4.650 1.00 0.00 H new ATOM 0 HA SER A 46 11.771 26.056 -7.201 1.00 0.00 H new ATOM 0 HB2 SER A 46 14.477 25.026 -6.258 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.058 25.614 -7.855 1.00 0.00 H new ATOM 0 HG SER A 46 15.189 27.210 -6.600 1.00 0.00 H new ATOM 635 N VAL A 47 12.150 23.279 -5.557 1.00 0.00 N ATOM 636 CA VAL A 47 11.813 21.860 -5.576 1.00 0.00 C ATOM 637 C VAL A 47 10.341 21.658 -5.924 1.00 0.00 C ATOM 638 O VAL A 47 10.021 20.937 -6.868 1.00 0.00 O ATOM 639 CB VAL A 47 12.118 21.162 -4.230 1.00 0.00 C ATOM 640 CG1 VAL A 47 11.737 19.688 -4.291 1.00 0.00 C ATOM 641 CG2 VAL A 47 13.589 21.313 -3.868 1.00 0.00 C ATOM 0 H VAL A 47 12.465 23.626 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 47 12.440 21.405 -6.342 1.00 0.00 H new ATOM 0 HB VAL A 47 11.520 21.642 -3.455 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.959 19.215 -3.335 1.00 0.00 H new ATOM 0 HG12 VAL A 47 10.672 19.596 -4.502 1.00 0.00 H new ATOM 0 HG13 VAL A 47 12.307 19.197 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 47 13.783 20.815 -2.918 1.00 0.00 H new ATOM 0 HG22 VAL A 47 14.204 20.861 -4.647 1.00 0.00 H new ATOM 0 HG23 VAL A 47 13.835 22.371 -3.780 1.00 0.00 H new ATOM 651 N ASN A 48 9.444 22.310 -5.183 1.00 0.00 N ATOM 652 CA ASN A 48 8.017 22.144 -5.424 1.00 0.00 C ATOM 653 C ASN A 48 7.610 22.744 -6.757 1.00 0.00 C ATOM 654 O ASN A 48 6.719 22.223 -7.420 1.00 0.00 O ATOM 655 CB ASN A 48 7.162 22.735 -4.296 1.00 0.00 C ATOM 656 CG ASN A 48 7.504 24.168 -3.939 1.00 0.00 C ATOM 657 OD1 ASN A 48 8.233 24.344 -2.848 1.00 0.00 O flip ATOM 658 ND2 ASN A 48 7.079 25.109 -4.610 1.00 0.00 N flip ATOM 0 H ASN A 48 9.679 22.948 -4.423 1.00 0.00 H new ATOM 0 HA ASN A 48 7.832 21.070 -5.451 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.113 22.686 -4.587 1.00 0.00 H new ATOM 0 HB3 ASN A 48 7.275 22.115 -3.407 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.521 24.929 -5.444 1.00 0.00 H new ATOM 0 HD22 ASN A 48 7.285 26.068 -4.331 1.00 0.00 H new ATOM 665 N SER A 49 8.273 23.817 -7.161 1.00 0.00 N ATOM 666 CA SER A 49 7.978 24.449 -8.436 1.00 0.00 C ATOM 667 C SER A 49 8.185 23.452 -9.577 1.00 0.00 C ATOM 668 O SER A 49 7.289 23.220 -10.384 1.00 0.00 O ATOM 669 CB SER A 49 8.865 25.684 -8.631 1.00 0.00 C ATOM 670 OG SER A 49 8.433 26.464 -9.734 1.00 0.00 O ATOM 0 H SER A 49 9.016 24.266 -6.626 1.00 0.00 H new ATOM 0 HA SER A 49 6.936 24.769 -8.441 1.00 0.00 H new ATOM 0 HB2 SER A 49 8.849 26.291 -7.726 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.897 25.371 -8.787 1.00 0.00 H new ATOM 0 HG SER A 49 9.017 27.245 -9.831 1.00 0.00 H new ATOM 676 N GLN A 50 9.356 22.832 -9.613 1.00 0.00 N ATOM 677 CA GLN A 50 9.685 21.880 -10.668 1.00 0.00 C ATOM 678 C GLN A 50 8.874 20.593 -10.534 1.00 0.00 C ATOM 679 O GLN A 50 8.361 20.066 -11.521 1.00 0.00 O ATOM 680 CB GLN A 50 11.178 21.557 -10.635 1.00 0.00 C ATOM 681 CG GLN A 50 12.063 22.769 -10.863 1.00 0.00 C ATOM 682 CD GLN A 50 13.534 22.454 -10.688 1.00 0.00 C ATOM 683 OE1 GLN A 50 14.217 22.072 -11.638 1.00 0.00 O ATOM 684 NE2 GLN A 50 14.035 22.612 -9.471 1.00 0.00 N ATOM 0 H GLN A 50 10.095 22.970 -8.924 1.00 0.00 H new ATOM 0 HA GLN A 50 9.432 22.341 -11.623 1.00 0.00 H new ATOM 0 HB2 GLN A 50 11.425 21.113 -9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 50 11.397 20.808 -11.396 1.00 0.00 H new ATOM 0 HG2 GLN A 50 11.894 23.154 -11.869 1.00 0.00 H new ATOM 0 HG3 GLN A 50 11.779 23.559 -10.168 1.00 0.00 H new ATOM 0 HE21 GLN A 50 13.435 22.931 -8.710 1.00 0.00 H new ATOM 0 HE22 GLN A 50 15.020 22.415 -9.296 1.00 0.00 H new ATOM 693 N MET A 51 8.750 20.103 -9.307 1.00 0.00 N ATOM 694 CA MET A 51 8.088 18.832 -9.045 1.00 0.00 C ATOM 695 C MET A 51 6.580 18.903 -9.315 1.00 0.00 C ATOM 696 O MET A 51 6.003 17.971 -9.871 1.00 0.00 O ATOM 697 CB MET A 51 8.375 18.398 -7.601 1.00 0.00 C ATOM 698 CG MET A 51 7.597 17.175 -7.144 1.00 0.00 C ATOM 699 SD MET A 51 6.086 17.610 -6.259 1.00 0.00 S ATOM 700 CE MET A 51 6.764 18.393 -4.796 1.00 0.00 C ATOM 0 H MET A 51 9.102 20.571 -8.472 1.00 0.00 H new ATOM 0 HA MET A 51 8.489 18.086 -9.731 1.00 0.00 H new ATOM 0 HB2 MET A 51 9.441 18.193 -7.502 1.00 0.00 H new ATOM 0 HB3 MET A 51 8.147 19.229 -6.933 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.344 16.564 -8.011 1.00 0.00 H new ATOM 0 HG3 MET A 51 8.230 16.566 -6.499 1.00 0.00 H new ATOM 0 HE1 MET A 51 6.501 17.807 -3.915 1.00 0.00 H new ATOM 0 HE2 MET A 51 7.849 18.450 -4.884 1.00 0.00 H new ATOM 0 HE3 MET A 51 6.355 19.398 -4.699 1.00 0.00 H new ATOM 710 N GLN A 52 5.947 20.011 -8.951 1.00 0.00 N ATOM 711 CA GLN A 52 4.506 20.147 -9.150 1.00 0.00 C ATOM 712 C GLN A 52 4.177 20.409 -10.613 1.00 0.00 C ATOM 713 O GLN A 52 3.088 20.076 -11.080 1.00 0.00 O ATOM 714 CB GLN A 52 3.930 21.253 -8.265 1.00 0.00 C ATOM 715 CG GLN A 52 3.966 20.916 -6.782 1.00 0.00 C ATOM 716 CD GLN A 52 3.361 22.002 -5.915 1.00 0.00 C ATOM 717 OE1 GLN A 52 3.477 23.244 -6.350 1.00 0.00 O flip ATOM 718 NE2 GLN A 52 2.797 21.723 -4.856 1.00 0.00 N flip ATOM 0 H GLN A 52 6.399 20.819 -8.522 1.00 0.00 H new ATOM 0 HA GLN A 52 4.043 19.203 -8.861 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.489 22.173 -8.435 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.899 21.447 -8.562 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.429 19.983 -6.614 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.999 20.749 -6.478 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.729 20.751 -4.555 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.398 22.464 -4.280 1.00 0.00 H new ATOM 727 N LYS A 53 5.122 20.999 -11.338 1.00 0.00 N ATOM 728 CA LYS A 53 4.959 21.213 -12.772 1.00 0.00 C ATOM 729 C LYS A 53 5.303 19.942 -13.538 1.00 0.00 C ATOM 730 O LYS A 53 5.035 19.831 -14.735 1.00 0.00 O ATOM 731 CB LYS A 53 5.828 22.376 -13.256 1.00 0.00 C ATOM 732 CG LYS A 53 5.415 23.720 -12.682 1.00 0.00 C ATOM 733 CD LYS A 53 6.388 24.815 -13.075 1.00 0.00 C ATOM 734 CE LYS A 53 6.082 26.114 -12.349 1.00 0.00 C ATOM 735 NZ LYS A 53 7.073 27.172 -12.677 1.00 0.00 N ATOM 0 H LYS A 53 6.006 21.337 -10.958 1.00 0.00 H new ATOM 0 HA LYS A 53 3.916 21.468 -12.961 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.866 22.179 -12.989 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.783 22.425 -14.344 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.416 23.976 -13.035 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.362 23.652 -11.595 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.406 24.499 -12.846 1.00 0.00 H new ATOM 0 HD3 LYS A 53 6.340 24.978 -14.152 1.00 0.00 H new ATOM 0 HE2 LYS A 53 5.082 26.455 -12.619 1.00 0.00 H new ATOM 0 HE3 LYS A 53 6.080 25.938 -11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 6.833 28.044 -12.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 8.023 26.856 -12.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.057 27.357 -13.700 1.00 0.00 H new ATOM 749 N MET A 54 5.907 18.988 -12.840 1.00 0.00 N ATOM 750 CA MET A 54 6.178 17.680 -13.413 1.00 0.00 C ATOM 751 C MET A 54 4.868 16.927 -13.612 1.00 0.00 C ATOM 752 O MET A 54 4.695 16.215 -14.602 1.00 0.00 O ATOM 753 CB MET A 54 7.137 16.891 -12.513 1.00 0.00 C ATOM 754 CG MET A 54 7.372 15.457 -12.961 1.00 0.00 C ATOM 755 SD MET A 54 8.776 14.678 -12.132 1.00 0.00 S ATOM 756 CE MET A 54 8.292 14.805 -10.410 1.00 0.00 C ATOM 0 H MET A 54 6.218 19.098 -11.875 1.00 0.00 H new ATOM 0 HA MET A 54 6.658 17.804 -14.384 1.00 0.00 H new ATOM 0 HB2 MET A 54 8.095 17.411 -12.477 1.00 0.00 H new ATOM 0 HB3 MET A 54 6.741 16.883 -11.498 1.00 0.00 H new ATOM 0 HG2 MET A 54 6.473 14.871 -12.769 1.00 0.00 H new ATOM 0 HG3 MET A 54 7.539 15.442 -14.038 1.00 0.00 H new ATOM 0 HE1 MET A 54 9.096 14.429 -9.777 1.00 0.00 H new ATOM 0 HE2 MET A 54 8.094 15.848 -10.164 1.00 0.00 H new ATOM 0 HE3 MET A 54 7.391 14.215 -10.241 1.00 0.00 H new ATOM 766 N GLY A 55 3.951 17.110 -12.669 1.00 0.00 N ATOM 767 CA GLY A 55 2.619 16.554 -12.799 1.00 0.00 C ATOM 768 C GLY A 55 2.518 15.133 -12.276 1.00 0.00 C ATOM 769 O GLY A 55 3.534 14.476 -12.064 1.00 0.00 O ATOM 0 H GLY A 55 4.109 17.638 -11.811 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.913 17.185 -12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 55 2.324 16.571 -13.848 1.00 0.00 H new ATOM 773 N PRO A 56 1.292 14.643 -12.036 1.00 0.00 N ATOM 774 CA PRO A 56 1.068 13.266 -11.602 1.00 0.00 C ATOM 775 C PRO A 56 1.208 12.278 -12.751 1.00 0.00 C ATOM 776 O PRO A 56 0.923 12.608 -13.902 1.00 0.00 O ATOM 777 CB PRO A 56 -0.369 13.292 -11.079 1.00 0.00 C ATOM 778 CG PRO A 56 -1.035 14.375 -11.854 1.00 0.00 C ATOM 779 CD PRO A 56 0.030 15.401 -12.151 1.00 0.00 C ATOM 0 HA PRO A 56 1.795 12.941 -10.858 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -0.864 12.333 -11.233 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -0.397 13.496 -10.009 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -1.466 13.984 -12.776 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -1.851 14.816 -11.282 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -0.091 15.827 -13.147 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -0.005 16.230 -11.444 1.00 0.00 H new ATOM 787 N ASN A 57 1.637 11.062 -12.418 1.00 0.00 N ATOM 788 CA ASN A 57 1.882 10.012 -13.413 1.00 0.00 C ATOM 789 C ASN A 57 2.973 10.438 -14.400 1.00 0.00 C ATOM 790 O ASN A 57 2.773 10.382 -15.617 1.00 0.00 O ATOM 791 CB ASN A 57 0.596 9.681 -14.182 1.00 0.00 C ATOM 792 CG ASN A 57 -0.520 9.168 -13.294 1.00 0.00 C ATOM 793 OD1 ASN A 57 -0.610 7.972 -13.013 1.00 0.00 O ATOM 794 ND2 ASN A 57 -1.395 10.065 -12.868 1.00 0.00 N ATOM 0 H ASN A 57 1.825 10.775 -11.457 1.00 0.00 H new ATOM 0 HA ASN A 57 2.217 9.123 -12.879 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.253 10.574 -14.704 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.818 8.933 -14.943 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -2.180 9.775 -12.284 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.285 11.046 -13.123 1.00 0.00 H new ATOM 801 N PRO A 58 4.149 10.851 -13.895 1.00 0.00 N ATOM 802 CA PRO A 58 5.204 11.423 -14.714 1.00 0.00 C ATOM 803 C PRO A 58 6.175 10.372 -15.259 1.00 0.00 C ATOM 804 O PRO A 58 6.290 9.272 -14.713 1.00 0.00 O ATOM 805 CB PRO A 58 5.926 12.364 -13.735 1.00 0.00 C ATOM 806 CG PRO A 58 5.404 12.035 -12.361 1.00 0.00 C ATOM 807 CD PRO A 58 4.566 10.795 -12.495 1.00 0.00 C ATOM 0 HA PRO A 58 4.807 11.915 -15.602 1.00 0.00 H new ATOM 0 HB2 PRO A 58 7.005 12.221 -13.784 1.00 0.00 H new ATOM 0 HB3 PRO A 58 5.731 13.407 -13.984 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.227 11.871 -11.665 1.00 0.00 H new ATOM 0 HG3 PRO A 58 4.811 12.860 -11.966 1.00 0.00 H new ATOM 0 HD2 PRO A 58 5.137 9.893 -12.277 1.00 0.00 H new ATOM 0 HD3 PRO A 58 3.713 10.805 -11.816 1.00 0.00 H new ATOM 815 N PRO A 59 6.883 10.703 -16.355 1.00 0.00 N ATOM 816 CA PRO A 59 7.919 9.837 -16.918 1.00 0.00 C ATOM 817 C PRO A 59 9.109 9.727 -15.976 1.00 0.00 C ATOM 818 O PRO A 59 9.541 10.727 -15.401 1.00 0.00 O ATOM 819 CB PRO A 59 8.337 10.539 -18.216 1.00 0.00 C ATOM 820 CG PRO A 59 7.302 11.585 -18.465 1.00 0.00 C ATOM 821 CD PRO A 59 6.725 11.942 -17.126 1.00 0.00 C ATOM 0 HA PRO A 59 7.559 8.821 -17.082 1.00 0.00 H new ATOM 0 HB2 PRO A 59 9.327 10.984 -18.118 1.00 0.00 H new ATOM 0 HB3 PRO A 59 8.386 9.832 -19.044 1.00 0.00 H new ATOM 0 HG2 PRO A 59 7.742 12.460 -18.943 1.00 0.00 H new ATOM 0 HG3 PRO A 59 6.527 11.212 -19.134 1.00 0.00 H new ATOM 0 HD2 PRO A 59 7.258 12.774 -16.666 1.00 0.00 H new ATOM 0 HD3 PRO A 59 5.679 12.238 -17.204 1.00 0.00 H new ATOM 829 N GLN A 60 9.660 8.527 -15.844 1.00 0.00 N ATOM 830 CA GLN A 60 10.696 8.273 -14.847 1.00 0.00 C ATOM 831 C GLN A 60 11.965 9.091 -15.096 1.00 0.00 C ATOM 832 O GLN A 60 12.717 9.355 -14.161 1.00 0.00 O ATOM 833 CB GLN A 60 11.033 6.782 -14.767 1.00 0.00 C ATOM 834 CG GLN A 60 11.623 6.203 -16.040 1.00 0.00 C ATOM 835 CD GLN A 60 12.083 4.772 -15.851 1.00 0.00 C ATOM 836 OE1 GLN A 60 13.228 4.522 -15.488 1.00 0.00 O ATOM 837 NE2 GLN A 60 11.196 3.822 -16.096 1.00 0.00 N ATOM 0 H GLN A 60 9.409 7.717 -16.411 1.00 0.00 H new ATOM 0 HA GLN A 60 10.286 8.594 -13.889 1.00 0.00 H new ATOM 0 HB2 GLN A 60 11.737 6.625 -13.950 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.127 6.230 -14.517 1.00 0.00 H new ATOM 0 HG2 GLN A 60 10.879 6.243 -16.836 1.00 0.00 H new ATOM 0 HG3 GLN A 60 12.466 6.816 -16.361 1.00 0.00 H new ATOM 0 HE21 GLN A 60 10.253 4.070 -16.396 1.00 0.00 H new ATOM 0 HE22 GLN A 60 11.455 2.842 -15.985 1.00 0.00 H new ATOM 846 N HIS A 61 12.202 9.508 -16.340 1.00 0.00 N ATOM 847 CA HIS A 61 13.387 10.311 -16.644 1.00 0.00 C ATOM 848 C HIS A 61 13.243 11.720 -16.061 1.00 0.00 C ATOM 849 O HIS A 61 14.229 12.431 -15.880 1.00 0.00 O ATOM 850 CB HIS A 61 13.674 10.361 -18.162 1.00 0.00 C ATOM 851 CG HIS A 61 12.783 11.269 -18.973 1.00 0.00 C ATOM 852 ND1 HIS A 61 11.833 10.803 -19.859 1.00 0.00 N ATOM 853 CD2 HIS A 61 12.752 12.622 -19.078 1.00 0.00 C ATOM 854 CE1 HIS A 61 11.258 11.827 -20.466 1.00 0.00 C ATOM 855 NE2 HIS A 61 11.796 12.940 -20.012 1.00 0.00 N ATOM 0 H HIS A 61 11.602 9.308 -17.140 1.00 0.00 H new ATOM 0 HA HIS A 61 14.244 9.829 -16.174 1.00 0.00 H new ATOM 0 HB2 HIS A 61 14.708 10.675 -18.306 1.00 0.00 H new ATOM 0 HB3 HIS A 61 13.590 9.350 -18.561 1.00 0.00 H new ATOM 0 HD2 HIS A 61 13.366 13.320 -18.528 1.00 0.00 H new ATOM 0 HE1 HIS A 61 10.478 11.762 -21.210 1.00 0.00 H new ATOM 0 HE2 HIS A 61 11.544 13.884 -20.306 1.00 0.00 H new ATOM 863 N ARG A 62 12.005 12.116 -15.768 1.00 0.00 N ATOM 864 CA ARG A 62 11.754 13.379 -15.083 1.00 0.00 C ATOM 865 C ARG A 62 12.098 13.232 -13.611 1.00 0.00 C ATOM 866 O ARG A 62 12.849 14.030 -13.053 1.00 0.00 O ATOM 867 CB ARG A 62 10.299 13.808 -15.233 1.00 0.00 C ATOM 868 CG ARG A 62 9.948 14.312 -16.619 1.00 0.00 C ATOM 869 CD ARG A 62 9.359 15.710 -16.550 1.00 0.00 C ATOM 870 NE ARG A 62 8.747 16.120 -17.815 1.00 0.00 N ATOM 871 CZ ARG A 62 7.530 16.666 -17.923 1.00 0.00 C ATOM 872 NH1 ARG A 62 6.767 16.837 -16.845 1.00 0.00 N ATOM 873 NH2 ARG A 62 7.073 17.032 -19.111 1.00 0.00 N ATOM 0 H ARG A 62 11.166 11.582 -15.994 1.00 0.00 H new ATOM 0 HA ARG A 62 12.381 14.147 -15.535 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.654 12.963 -14.990 1.00 0.00 H new ATOM 0 HB3 ARG A 62 10.085 14.592 -14.507 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.840 14.319 -17.245 1.00 0.00 H new ATOM 0 HG3 ARG A 62 9.234 13.634 -17.088 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.611 15.748 -15.758 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.142 16.419 -16.282 1.00 0.00 H new ATOM 0 HE ARG A 62 9.284 15.980 -18.671 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.109 16.551 -15.928 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.841 17.254 -16.937 1.00 0.00 H new ATOM 0 HH21 ARG A 62 7.648 16.898 -19.942 1.00 0.00 H new ATOM 0 HH22 ARG A 62 6.146 17.448 -19.195 1.00 0.00 H new ATOM 887 N LEU A 63 11.558 12.179 -12.999 1.00 0.00 N ATOM 888 CA LEU A 63 11.843 11.859 -11.603 1.00 0.00 C ATOM 889 C LEU A 63 13.334 11.651 -11.409 1.00 0.00 C ATOM 890 O LEU A 63 13.891 12.016 -10.379 1.00 0.00 O ATOM 891 CB LEU A 63 11.094 10.596 -11.154 1.00 0.00 C ATOM 892 CG LEU A 63 9.572 10.729 -11.006 1.00 0.00 C ATOM 893 CD1 LEU A 63 8.897 10.865 -12.358 1.00 0.00 C ATOM 894 CD2 LEU A 63 9.004 9.536 -10.256 1.00 0.00 C ATOM 0 H LEU A 63 10.916 11.529 -13.453 1.00 0.00 H new ATOM 0 HA LEU A 63 11.504 12.698 -10.996 1.00 0.00 H new ATOM 0 HB2 LEU A 63 11.301 9.802 -11.871 1.00 0.00 H new ATOM 0 HB3 LEU A 63 11.505 10.276 -10.197 1.00 0.00 H new ATOM 0 HG LEU A 63 9.372 11.635 -10.434 1.00 0.00 H new ATOM 0 HD11 LEU A 63 7.820 10.957 -12.219 1.00 0.00 H new ATOM 0 HD12 LEU A 63 9.275 11.752 -12.866 1.00 0.00 H new ATOM 0 HD13 LEU A 63 9.111 9.983 -12.962 1.00 0.00 H new ATOM 0 HD21 LEU A 63 7.924 9.647 -10.160 1.00 0.00 H new ATOM 0 HD22 LEU A 63 9.227 8.621 -10.805 1.00 0.00 H new ATOM 0 HD23 LEU A 63 9.453 9.483 -9.264 1.00 0.00 H new ATOM 906 N ARG A 64 13.966 11.062 -12.422 1.00 0.00 N ATOM 907 CA ARG A 64 15.404 10.823 -12.427 1.00 0.00 C ATOM 908 C ARG A 64 16.163 12.106 -12.115 1.00 0.00 C ATOM 909 O ARG A 64 17.002 12.142 -11.214 1.00 0.00 O ATOM 910 CB ARG A 64 15.847 10.296 -13.797 1.00 0.00 C ATOM 911 CG ARG A 64 17.290 9.819 -13.828 1.00 0.00 C ATOM 912 CD ARG A 64 17.434 8.489 -13.114 1.00 0.00 C ATOM 913 NE ARG A 64 18.823 8.199 -12.756 1.00 0.00 N ATOM 914 CZ ARG A 64 19.256 8.067 -11.499 1.00 0.00 C ATOM 915 NH1 ARG A 64 18.412 8.202 -10.483 1.00 0.00 N ATOM 916 NH2 ARG A 64 20.531 7.805 -11.256 1.00 0.00 N ATOM 0 H ARG A 64 13.492 10.737 -13.264 1.00 0.00 H new ATOM 0 HA ARG A 64 15.627 10.081 -11.660 1.00 0.00 H new ATOM 0 HB2 ARG A 64 15.195 9.473 -14.089 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.717 11.084 -14.539 1.00 0.00 H new ATOM 0 HG2 ARG A 64 17.623 9.720 -14.861 1.00 0.00 H new ATOM 0 HG3 ARG A 64 17.933 10.562 -13.356 1.00 0.00 H new ATOM 0 HD2 ARG A 64 16.822 8.495 -12.212 1.00 0.00 H new ATOM 0 HD3 ARG A 64 17.052 7.693 -13.753 1.00 0.00 H new ATOM 0 HE ARG A 64 19.501 8.091 -13.511 1.00 0.00 H new ATOM 0 HH11 ARG A 64 17.429 8.407 -10.661 1.00 0.00 H new ATOM 0 HH12 ARG A 64 18.747 8.100 -9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 64 21.187 7.703 -12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.857 7.705 -10.295 1.00 0.00 H new ATOM 930 N ALA A 65 15.838 13.162 -12.849 1.00 0.00 N ATOM 931 CA ALA A 65 16.537 14.429 -12.717 1.00 0.00 C ATOM 932 C ALA A 65 16.118 15.167 -11.453 1.00 0.00 C ATOM 933 O ALA A 65 16.880 15.970 -10.919 1.00 0.00 O ATOM 934 CB ALA A 65 16.298 15.297 -13.943 1.00 0.00 C ATOM 0 H ALA A 65 15.091 13.164 -13.544 1.00 0.00 H new ATOM 0 HA ALA A 65 17.603 14.215 -12.639 1.00 0.00 H new ATOM 0 HB1 ALA A 65 16.828 16.242 -13.828 1.00 0.00 H new ATOM 0 HB2 ALA A 65 16.664 14.781 -14.831 1.00 0.00 H new ATOM 0 HB3 ALA A 65 15.231 15.490 -14.049 1.00 0.00 H new ATOM 940 N MET A 66 14.906 14.886 -10.978 1.00 0.00 N ATOM 941 CA MET A 66 14.394 15.514 -9.762 1.00 0.00 C ATOM 942 C MET A 66 15.323 15.267 -8.579 1.00 0.00 C ATOM 943 O MET A 66 15.559 16.168 -7.773 1.00 0.00 O ATOM 944 CB MET A 66 12.987 14.999 -9.442 1.00 0.00 C ATOM 945 CG MET A 66 11.908 15.556 -10.357 1.00 0.00 C ATOM 946 SD MET A 66 10.969 16.902 -9.604 1.00 0.00 S ATOM 947 CE MET A 66 12.260 18.083 -9.229 1.00 0.00 C ATOM 0 H MET A 66 14.261 14.228 -11.416 1.00 0.00 H new ATOM 0 HA MET A 66 14.346 16.588 -9.939 1.00 0.00 H new ATOM 0 HB2 MET A 66 12.984 13.911 -9.512 1.00 0.00 H new ATOM 0 HB3 MET A 66 12.743 15.253 -8.411 1.00 0.00 H new ATOM 0 HG2 MET A 66 12.369 15.913 -11.278 1.00 0.00 H new ATOM 0 HG3 MET A 66 11.224 14.754 -10.633 1.00 0.00 H new ATOM 0 HE1 MET A 66 11.814 18.999 -8.842 1.00 0.00 H new ATOM 0 HE2 MET A 66 12.932 17.662 -8.481 1.00 0.00 H new ATOM 0 HE3 MET A 66 12.822 18.308 -10.136 1.00 0.00 H new ATOM 957 N ASN A 67 15.854 14.049 -8.482 1.00 0.00 N ATOM 958 CA ASN A 67 16.802 13.719 -7.421 1.00 0.00 C ATOM 959 C ASN A 67 18.053 14.570 -7.570 1.00 0.00 C ATOM 960 O ASN A 67 18.494 15.218 -6.621 1.00 0.00 O ATOM 961 CB ASN A 67 17.202 12.237 -7.455 1.00 0.00 C ATOM 962 CG ASN A 67 16.031 11.304 -7.658 1.00 0.00 C ATOM 963 OD1 ASN A 67 15.307 10.969 -6.722 1.00 0.00 O ATOM 964 ND2 ASN A 67 15.847 10.857 -8.887 1.00 0.00 N ATOM 0 H ASN A 67 15.646 13.281 -9.120 1.00 0.00 H new ATOM 0 HA ASN A 67 16.313 13.921 -6.468 1.00 0.00 H new ATOM 0 HB2 ASN A 67 17.924 12.082 -8.257 1.00 0.00 H new ATOM 0 HB3 ASN A 67 17.703 11.982 -6.521 1.00 0.00 H new ATOM 0 HD21 ASN A 67 15.083 10.211 -9.086 1.00 0.00 H new ATOM 0 HD22 ASN A 67 16.469 11.158 -9.638 1.00 0.00 H new ATOM 971 N THR A 68 18.602 14.577 -8.780 1.00 0.00 N ATOM 972 CA THR A 68 19.828 15.306 -9.071 1.00 0.00 C ATOM 973 C THR A 68 19.663 16.804 -8.812 1.00 0.00 C ATOM 974 O THR A 68 20.514 17.423 -8.181 1.00 0.00 O ATOM 975 CB THR A 68 20.254 15.087 -10.535 1.00 0.00 C ATOM 976 OG1 THR A 68 20.228 13.686 -10.844 1.00 0.00 O ATOM 977 CG2 THR A 68 21.652 15.639 -10.784 1.00 0.00 C ATOM 0 H THR A 68 18.212 14.080 -9.581 1.00 0.00 H new ATOM 0 HA THR A 68 20.600 14.920 -8.405 1.00 0.00 H new ATOM 0 HB THR A 68 19.553 15.618 -11.179 1.00 0.00 H new ATOM 0 HG1 THR A 68 20.498 13.552 -11.776 1.00 0.00 H new ATOM 0 HG21 THR A 68 21.929 15.472 -11.825 1.00 0.00 H new ATOM 0 HG22 THR A 68 21.664 16.708 -10.573 1.00 0.00 H new ATOM 0 HG23 THR A 68 22.364 15.132 -10.133 1.00 0.00 H new ATOM 985 N ALA A 69 18.557 17.369 -9.284 1.00 0.00 N ATOM 986 CA ALA A 69 18.298 18.796 -9.143 1.00 0.00 C ATOM 987 C ALA A 69 18.240 19.207 -7.676 1.00 0.00 C ATOM 988 O ALA A 69 18.869 20.186 -7.273 1.00 0.00 O ATOM 989 CB ALA A 69 17.004 19.173 -9.850 1.00 0.00 C ATOM 0 H ALA A 69 17.822 16.856 -9.770 1.00 0.00 H new ATOM 0 HA ALA A 69 19.124 19.333 -9.609 1.00 0.00 H new ATOM 0 HB1 ALA A 69 16.825 20.242 -9.735 1.00 0.00 H new ATOM 0 HB2 ALA A 69 17.084 18.930 -10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 69 16.175 18.617 -9.412 1.00 0.00 H new ATOM 995 N MET A 70 17.501 18.444 -6.877 1.00 0.00 N ATOM 996 CA MET A 70 17.353 18.747 -5.461 1.00 0.00 C ATOM 997 C MET A 70 18.684 18.551 -4.746 1.00 0.00 C ATOM 998 O MET A 70 19.131 19.414 -3.994 1.00 0.00 O ATOM 999 CB MET A 70 16.261 17.865 -4.838 1.00 0.00 C ATOM 1000 CG MET A 70 15.943 18.204 -3.387 1.00 0.00 C ATOM 1001 SD MET A 70 16.885 17.214 -2.207 1.00 0.00 S ATOM 1002 CE MET A 70 16.093 15.621 -2.401 1.00 0.00 C ATOM 0 H MET A 70 16.997 17.613 -7.187 1.00 0.00 H new ATOM 0 HA MET A 70 17.051 19.788 -5.349 1.00 0.00 H new ATOM 0 HB2 MET A 70 15.351 17.959 -5.430 1.00 0.00 H new ATOM 0 HB3 MET A 70 16.573 16.822 -4.897 1.00 0.00 H new ATOM 0 HG2 MET A 70 16.149 19.260 -3.213 1.00 0.00 H new ATOM 0 HG3 MET A 70 14.878 18.054 -3.210 1.00 0.00 H new ATOM 0 HE1 MET A 70 16.311 14.998 -1.533 1.00 0.00 H new ATOM 0 HE2 MET A 70 15.015 15.759 -2.487 1.00 0.00 H new ATOM 0 HE3 MET A 70 16.470 15.135 -3.301 1.00 0.00 H new ATOM 1012 N ALA A 71 19.330 17.425 -5.024 1.00 0.00 N ATOM 1013 CA ALA A 71 20.622 17.106 -4.425 1.00 0.00 C ATOM 1014 C ALA A 71 21.677 18.153 -4.779 1.00 0.00 C ATOM 1015 O ALA A 71 22.525 18.493 -3.956 1.00 0.00 O ATOM 1016 CB ALA A 71 21.076 15.728 -4.874 1.00 0.00 C ATOM 0 H ALA A 71 18.978 16.713 -5.664 1.00 0.00 H new ATOM 0 HA ALA A 71 20.502 17.110 -3.342 1.00 0.00 H new ATOM 0 HB1 ALA A 71 22.041 15.498 -4.422 1.00 0.00 H new ATOM 0 HB2 ALA A 71 20.343 14.984 -4.563 1.00 0.00 H new ATOM 0 HB3 ALA A 71 21.170 15.712 -5.960 1.00 0.00 H new ATOM 1022 N ALA A 72 21.613 18.663 -6.005 1.00 0.00 N ATOM 1023 CA ALA A 72 22.554 19.679 -6.470 1.00 0.00 C ATOM 1024 C ALA A 72 22.407 20.970 -5.674 1.00 0.00 C ATOM 1025 O ALA A 72 23.397 21.555 -5.233 1.00 0.00 O ATOM 1026 CB ALA A 72 22.352 19.953 -7.953 1.00 0.00 C ATOM 0 H ALA A 72 20.917 18.389 -6.698 1.00 0.00 H new ATOM 0 HA ALA A 72 23.563 19.296 -6.315 1.00 0.00 H new ATOM 0 HB1 ALA A 72 23.061 20.712 -8.283 1.00 0.00 H new ATOM 0 HB2 ALA A 72 22.514 19.035 -8.518 1.00 0.00 H new ATOM 0 HB3 ALA A 72 21.335 20.308 -8.122 1.00 0.00 H new ATOM 1032 N GLU A 73 21.169 21.401 -5.476 1.00 0.00 N ATOM 1033 CA GLU A 73 20.907 22.636 -4.752 1.00 0.00 C ATOM 1034 C GLU A 73 21.185 22.465 -3.263 1.00 0.00 C ATOM 1035 O GLU A 73 21.560 23.419 -2.582 1.00 0.00 O ATOM 1036 CB GLU A 73 19.479 23.115 -5.003 1.00 0.00 C ATOM 1037 CG GLU A 73 19.216 23.399 -6.471 1.00 0.00 C ATOM 1038 CD GLU A 73 17.897 24.096 -6.722 1.00 0.00 C ATOM 1039 OE1 GLU A 73 16.878 23.401 -6.912 1.00 0.00 O ATOM 1040 OE2 GLU A 73 17.886 25.346 -6.783 1.00 0.00 O ATOM 0 H GLU A 73 20.334 20.916 -5.805 1.00 0.00 H new ATOM 0 HA GLU A 73 21.586 23.403 -5.125 1.00 0.00 H new ATOM 0 HB2 GLU A 73 18.777 22.359 -4.650 1.00 0.00 H new ATOM 0 HB3 GLU A 73 19.294 24.018 -4.422 1.00 0.00 H new ATOM 0 HG2 GLU A 73 20.024 24.015 -6.865 1.00 0.00 H new ATOM 0 HG3 GLU A 73 19.233 22.460 -7.024 1.00 0.00 H new ATOM 1047 N VAL A 74 21.020 21.245 -2.761 1.00 0.00 N ATOM 1048 CA VAL A 74 21.425 20.930 -1.397 1.00 0.00 C ATOM 1049 C VAL A 74 22.949 20.945 -1.295 1.00 0.00 C ATOM 1050 O VAL A 74 23.513 21.450 -0.330 1.00 0.00 O ATOM 1051 CB VAL A 74 20.886 19.558 -0.925 1.00 0.00 C ATOM 1052 CG1 VAL A 74 21.431 19.201 0.451 1.00 0.00 C ATOM 1053 CG2 VAL A 74 19.364 19.569 -0.904 1.00 0.00 C ATOM 0 H VAL A 74 20.612 20.464 -3.275 1.00 0.00 H new ATOM 0 HA VAL A 74 20.996 21.692 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 74 21.224 18.799 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 74 21.037 18.233 0.759 1.00 0.00 H new ATOM 0 HG12 VAL A 74 22.519 19.153 0.410 1.00 0.00 H new ATOM 0 HG13 VAL A 74 21.128 19.961 1.171 1.00 0.00 H new ATOM 0 HG21 VAL A 74 18.998 18.598 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 74 19.015 20.343 -0.220 1.00 0.00 H new ATOM 0 HG23 VAL A 74 18.988 19.774 -1.906 1.00 0.00 H new ATOM 1063 N ALA A 75 23.610 20.410 -2.315 1.00 0.00 N ATOM 1064 CA ALA A 75 25.068 20.426 -2.378 1.00 0.00 C ATOM 1065 C ALA A 75 25.592 21.855 -2.330 1.00 0.00 C ATOM 1066 O ALA A 75 26.631 22.124 -1.731 1.00 0.00 O ATOM 1067 CB ALA A 75 25.552 19.729 -3.638 1.00 0.00 C ATOM 0 H ALA A 75 23.159 19.959 -3.111 1.00 0.00 H new ATOM 0 HA ALA A 75 25.454 19.888 -1.512 1.00 0.00 H new ATOM 0 HB1 ALA A 75 26.641 19.750 -3.670 1.00 0.00 H new ATOM 0 HB2 ALA A 75 25.209 18.695 -3.636 1.00 0.00 H new ATOM 0 HB3 ALA A 75 25.154 20.242 -4.513 1.00 0.00 H new ATOM 1073 N GLU A 76 24.858 22.765 -2.959 1.00 0.00 N ATOM 1074 CA GLU A 76 25.200 24.182 -2.947 1.00 0.00 C ATOM 1075 C GLU A 76 25.230 24.735 -1.522 1.00 0.00 C ATOM 1076 O GLU A 76 26.124 25.504 -1.171 1.00 0.00 O ATOM 1077 CB GLU A 76 24.206 24.977 -3.796 1.00 0.00 C ATOM 1078 CG GLU A 76 24.397 24.783 -5.291 1.00 0.00 C ATOM 1079 CD GLU A 76 25.705 25.365 -5.778 1.00 0.00 C ATOM 1080 OE1 GLU A 76 25.787 26.602 -5.929 1.00 0.00 O ATOM 1081 OE2 GLU A 76 26.661 24.595 -6.019 1.00 0.00 O ATOM 0 H GLU A 76 24.015 22.544 -3.488 1.00 0.00 H new ATOM 0 HA GLU A 76 26.198 24.287 -3.373 1.00 0.00 H new ATOM 0 HB2 GLU A 76 23.192 24.682 -3.526 1.00 0.00 H new ATOM 0 HB3 GLU A 76 24.304 26.037 -3.559 1.00 0.00 H new ATOM 0 HG2 GLU A 76 24.365 23.719 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 76 23.571 25.252 -5.825 1.00 0.00 H new ATOM 1088 N VAL A 77 24.267 24.331 -0.699 1.00 0.00 N ATOM 1089 CA VAL A 77 24.206 24.819 0.673 1.00 0.00 C ATOM 1090 C VAL A 77 25.332 24.200 1.494 1.00 0.00 C ATOM 1091 O VAL A 77 25.822 24.796 2.446 1.00 0.00 O ATOM 1092 CB VAL A 77 22.837 24.537 1.355 1.00 0.00 C ATOM 1093 CG1 VAL A 77 21.698 24.708 0.364 1.00 0.00 C ATOM 1094 CG2 VAL A 77 22.788 23.156 2.001 1.00 0.00 C ATOM 0 H VAL A 77 23.528 23.676 -0.954 1.00 0.00 H new ATOM 0 HA VAL A 77 24.323 25.902 0.631 1.00 0.00 H new ATOM 0 HB VAL A 77 22.719 25.269 2.154 1.00 0.00 H new ATOM 0 HG11 VAL A 77 20.749 24.506 0.862 1.00 0.00 H new ATOM 0 HG12 VAL A 77 21.698 25.729 -0.017 1.00 0.00 H new ATOM 0 HG13 VAL A 77 21.829 24.012 -0.464 1.00 0.00 H new ATOM 0 HG21 VAL A 77 21.813 23.005 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 77 22.950 22.392 1.240 1.00 0.00 H new ATOM 0 HG23 VAL A 77 23.566 23.082 2.761 1.00 0.00 H new ATOM 1104 N VAL A 78 25.756 23.006 1.103 1.00 0.00 N ATOM 1105 CA VAL A 78 26.842 22.320 1.788 1.00 0.00 C ATOM 1106 C VAL A 78 28.189 22.909 1.372 1.00 0.00 C ATOM 1107 O VAL A 78 29.150 22.895 2.139 1.00 0.00 O ATOM 1108 CB VAL A 78 26.823 20.803 1.497 1.00 0.00 C ATOM 1109 CG1 VAL A 78 27.911 20.077 2.271 1.00 0.00 C ATOM 1110 CG2 VAL A 78 25.466 20.209 1.834 1.00 0.00 C ATOM 0 H VAL A 78 25.364 22.492 0.314 1.00 0.00 H new ATOM 0 HA VAL A 78 26.700 22.464 2.859 1.00 0.00 H new ATOM 0 HB VAL A 78 27.014 20.672 0.432 1.00 0.00 H new ATOM 0 HG11 VAL A 78 27.870 19.012 2.044 1.00 0.00 H new ATOM 0 HG12 VAL A 78 28.886 20.472 1.985 1.00 0.00 H new ATOM 0 HG13 VAL A 78 27.758 20.226 3.340 1.00 0.00 H new ATOM 0 HG21 VAL A 78 25.474 19.140 1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 78 25.252 20.368 2.891 1.00 0.00 H new ATOM 0 HG23 VAL A 78 24.697 20.693 1.231 1.00 0.00 H new ATOM 1120 N ALA A 79 28.235 23.465 0.167 1.00 0.00 N ATOM 1121 CA ALA A 79 29.459 24.033 -0.383 1.00 0.00 C ATOM 1122 C ALA A 79 29.900 25.285 0.374 1.00 0.00 C ATOM 1123 O ALA A 79 31.021 25.758 0.201 1.00 0.00 O ATOM 1124 CB ALA A 79 29.265 24.344 -1.858 1.00 0.00 C ATOM 0 H ALA A 79 27.428 23.534 -0.454 1.00 0.00 H new ATOM 0 HA ALA A 79 30.251 23.293 -0.269 1.00 0.00 H new ATOM 0 HB1 ALA A 79 30.183 24.768 -2.264 1.00 0.00 H new ATOM 0 HB2 ALA A 79 29.021 23.427 -2.394 1.00 0.00 H new ATOM 0 HB3 ALA A 79 28.452 25.060 -1.975 1.00 0.00 H new ATOM 1130 N THR A 80 29.025 25.818 1.218 1.00 0.00 N ATOM 1131 CA THR A 80 29.358 26.993 2.009 1.00 0.00 C ATOM 1132 C THR A 80 30.236 26.597 3.201 1.00 0.00 C ATOM 1133 O THR A 80 30.770 27.446 3.917 1.00 0.00 O ATOM 1134 CB THR A 80 28.081 27.712 2.509 1.00 0.00 C ATOM 1135 OG1 THR A 80 28.348 29.098 2.759 1.00 0.00 O ATOM 1136 CG2 THR A 80 27.560 27.076 3.780 1.00 0.00 C ATOM 0 H THR A 80 28.084 25.456 1.371 1.00 0.00 H new ATOM 0 HA THR A 80 29.909 27.683 1.370 1.00 0.00 H new ATOM 0 HB THR A 80 27.327 27.619 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 80 27.530 29.537 3.073 1.00 0.00 H new ATOM 0 HG21 THR A 80 26.663 27.601 4.108 1.00 0.00 H new ATOM 0 HG22 THR A 80 27.319 26.030 3.591 1.00 0.00 H new ATOM 0 HG23 THR A 80 28.322 27.139 4.557 1.00 0.00 H new ATOM 1144 N SER A 81 30.397 25.295 3.393 1.00 0.00 N ATOM 1145 CA SER A 81 31.136 24.778 4.529 1.00 0.00 C ATOM 1146 C SER A 81 32.619 24.652 4.201 1.00 0.00 C ATOM 1147 O SER A 81 32.979 24.106 3.157 1.00 0.00 O ATOM 1148 CB SER A 81 30.591 23.407 4.921 1.00 0.00 C ATOM 1149 OG SER A 81 29.178 23.382 4.846 1.00 0.00 O ATOM 0 H SER A 81 30.023 24.577 2.772 1.00 0.00 H new ATOM 0 HA SER A 81 31.017 25.476 5.358 1.00 0.00 H new ATOM 0 HB2 SER A 81 31.007 22.645 4.263 1.00 0.00 H new ATOM 0 HB3 SER A 81 30.909 23.161 5.934 1.00 0.00 H new ATOM 0 HG SER A 81 28.902 23.215 3.921 1.00 0.00 H new ATOM 1155 N PRO A 82 33.497 25.172 5.069 1.00 0.00 N ATOM 1156 CA PRO A 82 34.932 24.927 4.959 1.00 0.00 C ATOM 1157 C PRO A 82 35.249 23.459 5.248 1.00 0.00 C ATOM 1158 O PRO A 82 34.441 22.763 5.867 1.00 0.00 O ATOM 1159 CB PRO A 82 35.544 25.844 6.027 1.00 0.00 C ATOM 1160 CG PRO A 82 34.444 26.093 6.999 1.00 0.00 C ATOM 1161 CD PRO A 82 33.166 26.045 6.209 1.00 0.00 C ATOM 0 HA PRO A 82 35.323 25.129 3.962 1.00 0.00 H new ATOM 0 HB2 PRO A 82 36.398 25.371 6.511 1.00 0.00 H new ATOM 0 HB3 PRO A 82 35.902 26.776 5.589 1.00 0.00 H new ATOM 0 HG2 PRO A 82 34.443 25.340 7.787 1.00 0.00 H new ATOM 0 HG3 PRO A 82 34.565 27.061 7.484 1.00 0.00 H new ATOM 0 HD2 PRO A 82 32.344 25.639 6.799 1.00 0.00 H new ATOM 0 HD3 PRO A 82 32.861 27.038 5.879 1.00 0.00 H new ATOM 1169 N PRO A 83 36.426 22.969 4.817 1.00 0.00 N ATOM 1170 CA PRO A 83 36.813 21.556 4.972 1.00 0.00 C ATOM 1171 C PRO A 83 36.666 21.038 6.403 1.00 0.00 C ATOM 1172 O PRO A 83 36.435 19.850 6.622 1.00 0.00 O ATOM 1173 CB PRO A 83 38.284 21.545 4.556 1.00 0.00 C ATOM 1174 CG PRO A 83 38.425 22.701 3.630 1.00 0.00 C ATOM 1175 CD PRO A 83 37.475 23.752 4.131 1.00 0.00 C ATOM 0 HA PRO A 83 36.172 20.904 4.378 1.00 0.00 H new ATOM 0 HB2 PRO A 83 38.940 21.648 5.420 1.00 0.00 H new ATOM 0 HB3 PRO A 83 38.549 20.609 4.064 1.00 0.00 H new ATOM 0 HG2 PRO A 83 39.450 23.073 3.623 1.00 0.00 H new ATOM 0 HG3 PRO A 83 38.184 22.413 2.607 1.00 0.00 H new ATOM 0 HD2 PRO A 83 37.967 24.447 4.812 1.00 0.00 H new ATOM 0 HD3 PRO A 83 37.064 24.344 3.313 1.00 0.00 H new ATOM 1183 N GLN A 84 36.790 21.937 7.372 1.00 0.00 N ATOM 1184 CA GLN A 84 36.712 21.571 8.778 1.00 0.00 C ATOM 1185 C GLN A 84 35.290 21.164 9.178 1.00 0.00 C ATOM 1186 O GLN A 84 35.067 20.054 9.658 1.00 0.00 O ATOM 1187 CB GLN A 84 37.189 22.740 9.641 1.00 0.00 C ATOM 1188 CG GLN A 84 37.109 22.472 11.133 1.00 0.00 C ATOM 1189 CD GLN A 84 37.639 23.625 11.954 1.00 0.00 C ATOM 1190 OE1 GLN A 84 38.822 23.673 12.293 1.00 0.00 O ATOM 1191 NE2 GLN A 84 36.770 24.567 12.274 1.00 0.00 N ATOM 0 H GLN A 84 36.946 22.931 7.206 1.00 0.00 H new ATOM 0 HA GLN A 84 37.359 20.709 8.940 1.00 0.00 H new ATOM 0 HB2 GLN A 84 38.220 22.976 9.378 1.00 0.00 H new ATOM 0 HB3 GLN A 84 36.591 23.620 9.407 1.00 0.00 H new ATOM 0 HG2 GLN A 84 36.073 22.278 11.410 1.00 0.00 H new ATOM 0 HG3 GLN A 84 37.675 21.571 11.369 1.00 0.00 H new ATOM 0 HE21 GLN A 84 35.799 24.488 11.973 1.00 0.00 H new ATOM 0 HE22 GLN A 84 37.070 25.373 12.822 1.00 0.00 H new ATOM 1200 N SER A 85 34.327 22.054 8.962 1.00 0.00 N ATOM 1201 CA SER A 85 32.965 21.826 9.433 1.00 0.00 C ATOM 1202 C SER A 85 32.142 21.032 8.423 1.00 0.00 C ATOM 1203 O SER A 85 31.017 20.619 8.715 1.00 0.00 O ATOM 1204 CB SER A 85 32.287 23.163 9.733 1.00 0.00 C ATOM 1205 OG SER A 85 32.384 24.045 8.628 1.00 0.00 O ATOM 0 H SER A 85 34.463 22.935 8.467 1.00 0.00 H new ATOM 0 HA SER A 85 33.022 21.235 10.347 1.00 0.00 H new ATOM 0 HB2 SER A 85 31.238 22.995 9.977 1.00 0.00 H new ATOM 0 HB3 SER A 85 32.749 23.620 10.608 1.00 0.00 H new ATOM 0 HG SER A 85 31.941 24.892 8.845 1.00 0.00 H new ATOM 1211 N TYR A 86 32.718 20.804 7.245 1.00 0.00 N ATOM 1212 CA TYR A 86 32.036 20.084 6.172 1.00 0.00 C ATOM 1213 C TYR A 86 31.484 18.747 6.661 1.00 0.00 C ATOM 1214 O TYR A 86 30.326 18.414 6.405 1.00 0.00 O ATOM 1215 CB TYR A 86 32.991 19.854 4.994 1.00 0.00 C ATOM 1216 CG TYR A 86 32.366 19.095 3.844 1.00 0.00 C ATOM 1217 CD1 TYR A 86 32.380 17.706 3.814 1.00 0.00 C ATOM 1218 CD2 TYR A 86 31.754 19.768 2.794 1.00 0.00 C ATOM 1219 CE1 TYR A 86 31.805 17.008 2.769 1.00 0.00 C ATOM 1220 CE2 TYR A 86 31.174 19.077 1.747 1.00 0.00 C ATOM 1221 CZ TYR A 86 31.201 17.697 1.739 1.00 0.00 C ATOM 1222 OH TYR A 86 30.620 17.002 0.701 1.00 0.00 O ATOM 0 H TYR A 86 33.662 21.110 7.008 1.00 0.00 H new ATOM 0 HA TYR A 86 31.198 20.698 5.842 1.00 0.00 H new ATOM 0 HB2 TYR A 86 33.345 20.819 4.631 1.00 0.00 H new ATOM 0 HB3 TYR A 86 33.864 19.306 5.347 1.00 0.00 H new ATOM 0 HD1 TYR A 86 32.848 17.162 4.621 1.00 0.00 H new ATOM 0 HD2 TYR A 86 31.731 20.848 2.796 1.00 0.00 H new ATOM 0 HE1 TYR A 86 31.829 15.928 2.759 1.00 0.00 H new ATOM 0 HE2 TYR A 86 30.701 19.615 0.938 1.00 0.00 H new ATOM 0 HH TYR A 86 30.337 17.631 0.004 1.00 0.00 H new ATOM 1232 N SER A 87 32.311 17.996 7.380 1.00 0.00 N ATOM 1233 CA SER A 87 31.930 16.672 7.858 1.00 0.00 C ATOM 1234 C SER A 87 30.696 16.739 8.753 1.00 0.00 C ATOM 1235 O SER A 87 29.807 15.889 8.668 1.00 0.00 O ATOM 1236 CB SER A 87 33.098 16.037 8.615 1.00 0.00 C ATOM 1237 OG SER A 87 34.276 16.042 7.825 1.00 0.00 O ATOM 0 H SER A 87 33.253 18.283 7.645 1.00 0.00 H new ATOM 0 HA SER A 87 31.682 16.056 6.993 1.00 0.00 H new ATOM 0 HB2 SER A 87 33.275 16.582 9.542 1.00 0.00 H new ATOM 0 HB3 SER A 87 32.844 15.013 8.890 1.00 0.00 H new ATOM 0 HG SER A 87 35.010 15.633 8.329 1.00 0.00 H new ATOM 1243 N ALA A 88 30.624 17.768 9.579 1.00 0.00 N ATOM 1244 CA ALA A 88 29.520 17.912 10.516 1.00 0.00 C ATOM 1245 C ALA A 88 28.245 18.297 9.780 1.00 0.00 C ATOM 1246 O ALA A 88 27.143 17.894 10.157 1.00 0.00 O ATOM 1247 CB ALA A 88 29.859 18.945 11.578 1.00 0.00 C ATOM 0 H ALA A 88 31.316 18.517 9.621 1.00 0.00 H new ATOM 0 HA ALA A 88 29.355 16.954 11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 88 29.024 19.042 12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 88 30.748 18.628 12.123 1.00 0.00 H new ATOM 0 HB3 ALA A 88 30.049 19.907 11.102 1.00 0.00 H new ATOM 1253 N VAL A 89 28.408 19.070 8.719 1.00 0.00 N ATOM 1254 CA VAL A 89 27.291 19.471 7.881 1.00 0.00 C ATOM 1255 C VAL A 89 26.755 18.274 7.103 1.00 0.00 C ATOM 1256 O VAL A 89 25.552 18.004 7.097 1.00 0.00 O ATOM 1257 CB VAL A 89 27.709 20.582 6.892 1.00 0.00 C ATOM 1258 CG1 VAL A 89 26.568 20.933 5.946 1.00 0.00 C ATOM 1259 CG2 VAL A 89 28.181 21.817 7.648 1.00 0.00 C ATOM 0 H VAL A 89 29.311 19.435 8.416 1.00 0.00 H new ATOM 0 HA VAL A 89 26.509 19.860 8.533 1.00 0.00 H new ATOM 0 HB VAL A 89 28.537 20.206 6.291 1.00 0.00 H new ATOM 0 HG11 VAL A 89 26.891 21.717 5.262 1.00 0.00 H new ATOM 0 HG12 VAL A 89 26.283 20.049 5.376 1.00 0.00 H new ATOM 0 HG13 VAL A 89 25.712 21.284 6.523 1.00 0.00 H new ATOM 0 HG21 VAL A 89 28.472 22.590 6.937 1.00 0.00 H new ATOM 0 HG22 VAL A 89 27.373 22.189 8.278 1.00 0.00 H new ATOM 0 HG23 VAL A 89 29.037 21.557 8.271 1.00 0.00 H new ATOM 1269 N LEU A 90 27.672 17.548 6.477 1.00 0.00 N ATOM 1270 CA LEU A 90 27.339 16.407 5.644 1.00 0.00 C ATOM 1271 C LEU A 90 26.545 15.361 6.429 1.00 0.00 C ATOM 1272 O LEU A 90 25.492 14.903 5.980 1.00 0.00 O ATOM 1273 CB LEU A 90 28.637 15.807 5.102 1.00 0.00 C ATOM 1274 CG LEU A 90 28.535 15.052 3.777 1.00 0.00 C ATOM 1275 CD1 LEU A 90 27.791 13.734 3.944 1.00 0.00 C ATOM 1276 CD2 LEU A 90 27.868 15.920 2.717 1.00 0.00 C ATOM 0 H LEU A 90 28.673 17.738 6.535 1.00 0.00 H new ATOM 0 HA LEU A 90 26.708 16.734 4.818 1.00 0.00 H new ATOM 0 HB2 LEU A 90 29.362 16.612 4.981 1.00 0.00 H new ATOM 0 HB3 LEU A 90 29.039 15.127 5.853 1.00 0.00 H new ATOM 0 HG LEU A 90 29.547 14.819 3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 90 27.736 13.223 2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 90 28.321 13.105 4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 90 26.783 13.929 4.309 1.00 0.00 H new ATOM 0 HD21 LEU A 90 27.804 15.366 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 90 26.865 16.191 3.047 1.00 0.00 H new ATOM 0 HD23 LEU A 90 28.457 16.824 2.564 1.00 0.00 H new ATOM 1288 N ASN A 91 27.046 14.995 7.606 1.00 0.00 N ATOM 1289 CA ASN A 91 26.390 13.979 8.426 1.00 0.00 C ATOM 1290 C ASN A 91 24.993 14.421 8.853 1.00 0.00 C ATOM 1291 O ASN A 91 24.093 13.591 8.992 1.00 0.00 O ATOM 1292 CB ASN A 91 27.228 13.629 9.659 1.00 0.00 C ATOM 1293 CG ASN A 91 28.385 12.699 9.337 1.00 0.00 C ATOM 1294 OD1 ASN A 91 28.227 11.478 9.319 1.00 0.00 O ATOM 1295 ND2 ASN A 91 29.555 13.264 9.085 1.00 0.00 N ATOM 0 H ASN A 91 27.898 15.383 8.012 1.00 0.00 H new ATOM 0 HA ASN A 91 26.295 13.086 7.808 1.00 0.00 H new ATOM 0 HB2 ASN A 91 27.617 14.546 10.101 1.00 0.00 H new ATOM 0 HB3 ASN A 91 26.588 13.161 10.407 1.00 0.00 H new ATOM 0 HD21 ASN A 91 30.365 12.684 8.866 1.00 0.00 H new ATOM 0 HD22 ASN A 91 29.647 14.280 9.109 1.00 0.00 H new ATOM 1302 N THR A 92 24.809 15.723 9.035 1.00 0.00 N ATOM 1303 CA THR A 92 23.509 16.264 9.408 1.00 0.00 C ATOM 1304 C THR A 92 22.515 16.121 8.251 1.00 0.00 C ATOM 1305 O THR A 92 21.358 15.746 8.456 1.00 0.00 O ATOM 1306 CB THR A 92 23.628 17.745 9.826 1.00 0.00 C ATOM 1307 OG1 THR A 92 24.540 17.863 10.930 1.00 0.00 O ATOM 1308 CG2 THR A 92 22.273 18.320 10.221 1.00 0.00 C ATOM 0 H THR A 92 25.543 16.423 8.930 1.00 0.00 H new ATOM 0 HA THR A 92 23.140 15.694 10.261 1.00 0.00 H new ATOM 0 HB THR A 92 24.002 18.309 8.972 1.00 0.00 H new ATOM 0 HG1 THR A 92 25.461 17.851 10.596 1.00 0.00 H new ATOM 0 HG21 THR A 92 22.391 19.364 10.510 1.00 0.00 H new ATOM 0 HG22 THR A 92 21.589 18.253 9.375 1.00 0.00 H new ATOM 0 HG23 THR A 92 21.869 17.755 11.061 1.00 0.00 H new ATOM 1316 N ILE A 93 22.984 16.394 7.036 1.00 0.00 N ATOM 1317 CA ILE A 93 22.161 16.247 5.839 1.00 0.00 C ATOM 1318 C ILE A 93 21.663 14.809 5.702 1.00 0.00 C ATOM 1319 O ILE A 93 20.466 14.570 5.528 1.00 0.00 O ATOM 1320 CB ILE A 93 22.943 16.637 4.562 1.00 0.00 C ATOM 1321 CG1 ILE A 93 23.428 18.090 4.644 1.00 0.00 C ATOM 1322 CG2 ILE A 93 22.086 16.434 3.316 1.00 0.00 C ATOM 1323 CD1 ILE A 93 22.315 19.103 4.819 1.00 0.00 C ATOM 0 H ILE A 93 23.933 16.719 6.854 1.00 0.00 H new ATOM 0 HA ILE A 93 21.311 16.920 5.948 1.00 0.00 H new ATOM 0 HB ILE A 93 23.814 15.985 4.490 1.00 0.00 H new ATOM 0 HG12 ILE A 93 24.124 18.183 5.477 1.00 0.00 H new ATOM 0 HG13 ILE A 93 23.983 18.329 3.737 1.00 0.00 H new ATOM 0 HG21 ILE A 93 22.658 16.715 2.431 1.00 0.00 H new ATOM 0 HG22 ILE A 93 21.794 15.386 3.242 1.00 0.00 H new ATOM 0 HG23 ILE A 93 21.193 17.055 3.383 1.00 0.00 H new ATOM 0 HD11 ILE A 93 22.740 20.106 4.868 1.00 0.00 H new ATOM 0 HD12 ILE A 93 21.630 19.040 3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 93 21.773 18.893 5.741 1.00 0.00 H new ATOM 1335 N GLY A 94 22.588 13.861 5.819 1.00 0.00 N ATOM 1336 CA GLY A 94 22.250 12.456 5.667 1.00 0.00 C ATOM 1337 C GLY A 94 21.317 11.946 6.743 1.00 0.00 C ATOM 1338 O GLY A 94 20.635 10.937 6.557 1.00 0.00 O ATOM 0 H GLY A 94 23.572 14.042 6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 94 21.787 12.304 4.692 1.00 0.00 H new ATOM 0 HA3 GLY A 94 23.166 11.865 5.680 1.00 0.00 H new ATOM 1342 N ALA A 95 21.292 12.629 7.874 1.00 0.00 N ATOM 1343 CA ALA A 95 20.413 12.249 8.968 1.00 0.00 C ATOM 1344 C ALA A 95 18.995 12.752 8.720 1.00 0.00 C ATOM 1345 O ALA A 95 18.035 11.980 8.746 1.00 0.00 O ATOM 1346 CB ALA A 95 20.949 12.781 10.288 1.00 0.00 C ATOM 0 H ALA A 95 21.869 13.449 8.060 1.00 0.00 H new ATOM 0 HA ALA A 95 20.382 11.161 9.022 1.00 0.00 H new ATOM 0 HB1 ALA A 95 20.280 12.488 11.097 1.00 0.00 H new ATOM 0 HB2 ALA A 95 21.941 12.368 10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 95 21.011 13.868 10.244 1.00 0.00 H new ATOM 1352 N CYS A 96 18.880 14.045 8.445 1.00 0.00 N ATOM 1353 CA CYS A 96 17.582 14.682 8.248 1.00 0.00 C ATOM 1354 C CYS A 96 16.859 14.137 7.018 1.00 0.00 C ATOM 1355 O CYS A 96 15.647 13.919 7.048 1.00 0.00 O ATOM 1356 CB CYS A 96 17.756 16.194 8.126 1.00 0.00 C ATOM 1357 SG CYS A 96 18.430 16.981 9.625 1.00 0.00 S ATOM 0 H CYS A 96 19.675 14.678 8.353 1.00 0.00 H new ATOM 0 HA CYS A 96 16.967 14.454 9.118 1.00 0.00 H new ATOM 0 HB2 CYS A 96 18.417 16.407 7.286 1.00 0.00 H new ATOM 0 HB3 CYS A 96 16.791 16.644 7.894 1.00 0.00 H new ATOM 1362 N LEU A 97 17.607 13.903 5.946 1.00 0.00 N ATOM 1363 CA LEU A 97 17.033 13.411 4.696 1.00 0.00 C ATOM 1364 C LEU A 97 16.472 12.003 4.899 1.00 0.00 C ATOM 1365 O LEU A 97 15.493 11.607 4.266 1.00 0.00 O ATOM 1366 CB LEU A 97 18.110 13.437 3.594 1.00 0.00 C ATOM 1367 CG LEU A 97 17.622 13.328 2.136 1.00 0.00 C ATOM 1368 CD1 LEU A 97 17.312 11.888 1.761 1.00 0.00 C ATOM 1369 CD2 LEU A 97 16.403 14.210 1.901 1.00 0.00 C ATOM 0 H LEU A 97 18.616 14.046 5.916 1.00 0.00 H new ATOM 0 HA LEU A 97 16.210 14.055 4.386 1.00 0.00 H new ATOM 0 HB2 LEU A 97 18.675 14.364 3.694 1.00 0.00 H new ATOM 0 HB3 LEU A 97 18.805 12.619 3.781 1.00 0.00 H new ATOM 0 HG LEU A 97 18.431 13.678 1.495 1.00 0.00 H new ATOM 0 HD11 LEU A 97 16.971 11.847 0.727 1.00 0.00 H new ATOM 0 HD12 LEU A 97 18.211 11.282 1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 97 16.532 11.501 2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 97 16.079 14.114 0.865 1.00 0.00 H new ATOM 0 HD22 LEU A 97 15.596 13.899 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 97 16.661 15.249 2.106 1.00 0.00 H new ATOM 1381 N ARG A 98 17.080 11.266 5.816 1.00 0.00 N ATOM 1382 CA ARG A 98 16.672 9.899 6.096 1.00 0.00 C ATOM 1383 C ARG A 98 15.326 9.849 6.827 1.00 0.00 C ATOM 1384 O ARG A 98 14.497 8.983 6.550 1.00 0.00 O ATOM 1385 CB ARG A 98 17.784 9.180 6.888 1.00 0.00 C ATOM 1386 CG ARG A 98 17.295 8.156 7.904 1.00 0.00 C ATOM 1387 CD ARG A 98 17.075 8.799 9.266 1.00 0.00 C ATOM 1388 NE ARG A 98 16.302 7.946 10.161 1.00 0.00 N ATOM 1389 CZ ARG A 98 15.909 8.310 11.384 1.00 0.00 C ATOM 1390 NH1 ARG A 98 16.286 9.481 11.890 1.00 0.00 N ATOM 1391 NH2 ARG A 98 15.154 7.494 12.108 1.00 0.00 N ATOM 0 H ARG A 98 17.862 11.595 6.382 1.00 0.00 H new ATOM 0 HA ARG A 98 16.526 9.376 5.151 1.00 0.00 H new ATOM 0 HB2 ARG A 98 18.447 8.680 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 98 18.380 9.929 7.409 1.00 0.00 H new ATOM 0 HG2 ARG A 98 16.365 7.708 7.555 1.00 0.00 H new ATOM 0 HG3 ARG A 98 18.023 7.350 7.992 1.00 0.00 H new ATOM 0 HD2 ARG A 98 18.040 9.020 9.722 1.00 0.00 H new ATOM 0 HD3 ARG A 98 16.558 9.750 9.137 1.00 0.00 H new ATOM 0 HE ARG A 98 16.046 7.015 9.833 1.00 0.00 H new ATOM 0 HH11 ARG A 98 16.878 10.106 11.343 1.00 0.00 H new ATOM 0 HH12 ARG A 98 15.983 9.754 12.825 1.00 0.00 H new ATOM 0 HH21 ARG A 98 14.874 6.589 11.730 1.00 0.00 H new ATOM 0 HH22 ARG A 98 14.854 7.772 13.042 1.00 0.00 H new ATOM 1405 N GLU A 99 15.100 10.778 7.748 1.00 0.00 N ATOM 1406 CA GLU A 99 13.900 10.730 8.576 1.00 0.00 C ATOM 1407 C GLU A 99 12.694 11.327 7.863 1.00 0.00 C ATOM 1408 O GLU A 99 11.584 10.794 7.949 1.00 0.00 O ATOM 1409 CB GLU A 99 14.133 11.430 9.917 1.00 0.00 C ATOM 1410 CG GLU A 99 14.674 12.845 9.812 1.00 0.00 C ATOM 1411 CD GLU A 99 14.885 13.483 11.171 1.00 0.00 C ATOM 1412 OE1 GLU A 99 15.963 13.282 11.766 1.00 0.00 O ATOM 1413 OE2 GLU A 99 13.969 14.182 11.654 1.00 0.00 O ATOM 0 H GLU A 99 15.722 11.564 7.939 1.00 0.00 H new ATOM 0 HA GLU A 99 13.682 9.679 8.766 1.00 0.00 H new ATOM 0 HB2 GLU A 99 13.191 11.456 10.466 1.00 0.00 H new ATOM 0 HB3 GLU A 99 14.829 10.833 10.506 1.00 0.00 H new ATOM 0 HG2 GLU A 99 15.619 12.831 9.269 1.00 0.00 H new ATOM 0 HG3 GLU A 99 13.982 13.454 9.231 1.00 0.00 H new ATOM 1420 N SER A 100 12.916 12.410 7.141 1.00 0.00 N ATOM 1421 CA SER A 100 11.837 13.125 6.481 1.00 0.00 C ATOM 1422 C SER A 100 11.129 12.253 5.448 1.00 0.00 C ATOM 1423 O SER A 100 9.925 12.399 5.221 1.00 0.00 O ATOM 1424 CB SER A 100 12.389 14.380 5.824 1.00 0.00 C ATOM 1425 OG SER A 100 13.480 14.079 4.986 1.00 0.00 O ATOM 0 H SER A 100 13.840 12.817 6.996 1.00 0.00 H new ATOM 0 HA SER A 100 11.099 13.399 7.234 1.00 0.00 H new ATOM 0 HB2 SER A 100 11.604 14.865 5.243 1.00 0.00 H new ATOM 0 HB3 SER A 100 12.701 15.088 6.592 1.00 0.00 H new ATOM 0 HG SER A 100 14.301 14.040 5.519 1.00 0.00 H new ATOM 1431 N MET A 101 11.879 11.344 4.836 1.00 0.00 N ATOM 1432 CA MET A 101 11.333 10.434 3.835 1.00 0.00 C ATOM 1433 C MET A 101 10.161 9.630 4.392 1.00 0.00 C ATOM 1434 O MET A 101 9.090 9.572 3.779 1.00 0.00 O ATOM 1435 CB MET A 101 12.425 9.498 3.319 1.00 0.00 C ATOM 1436 CG MET A 101 13.302 10.121 2.244 1.00 0.00 C ATOM 1437 SD MET A 101 12.462 10.251 0.654 1.00 0.00 S ATOM 1438 CE MET A 101 12.346 8.522 0.187 1.00 0.00 C ATOM 0 H MET A 101 12.875 11.217 5.017 1.00 0.00 H new ATOM 0 HA MET A 101 10.959 11.034 3.005 1.00 0.00 H new ATOM 0 HB2 MET A 101 13.053 9.190 4.155 1.00 0.00 H new ATOM 0 HB3 MET A 101 11.960 8.596 2.920 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.617 11.113 2.567 1.00 0.00 H new ATOM 0 HG3 MET A 101 14.206 9.523 2.126 1.00 0.00 H new ATOM 0 HE1 MET A 101 12.490 8.425 -0.889 1.00 0.00 H new ATOM 0 HE2 MET A 101 13.114 7.952 0.709 1.00 0.00 H new ATOM 0 HE3 MET A 101 11.363 8.137 0.457 1.00 0.00 H new ATOM 1448 N MET A 102 10.342 9.028 5.564 1.00 0.00 N ATOM 1449 CA MET A 102 9.274 8.231 6.152 1.00 0.00 C ATOM 1450 C MET A 102 8.250 9.117 6.848 1.00 0.00 C ATOM 1451 O MET A 102 7.078 8.756 6.939 1.00 0.00 O ATOM 1452 CB MET A 102 9.802 7.179 7.125 1.00 0.00 C ATOM 1453 CG MET A 102 10.528 7.735 8.336 1.00 0.00 C ATOM 1454 SD MET A 102 10.542 6.562 9.705 1.00 0.00 S ATOM 1455 CE MET A 102 10.868 5.035 8.827 1.00 0.00 C ATOM 0 H MET A 102 11.199 9.075 6.114 1.00 0.00 H new ATOM 0 HA MET A 102 8.789 7.706 5.329 1.00 0.00 H new ATOM 0 HB2 MET A 102 8.965 6.571 7.469 1.00 0.00 H new ATOM 0 HB3 MET A 102 10.479 6.515 6.587 1.00 0.00 H new ATOM 0 HG2 MET A 102 11.553 7.986 8.062 1.00 0.00 H new ATOM 0 HG3 MET A 102 10.048 8.660 8.655 1.00 0.00 H new ATOM 0 HE1 MET A 102 10.784 4.194 9.516 1.00 0.00 H new ATOM 0 HE2 MET A 102 10.144 4.917 8.021 1.00 0.00 H new ATOM 0 HE3 MET A 102 11.874 5.063 8.409 1.00 0.00 H new ATOM 1465 N GLN A 103 8.695 10.274 7.330 1.00 0.00 N ATOM 1466 CA GLN A 103 7.787 11.243 7.941 1.00 0.00 C ATOM 1467 C GLN A 103 6.743 11.709 6.934 1.00 0.00 C ATOM 1468 O GLN A 103 5.619 12.054 7.300 1.00 0.00 O ATOM 1469 CB GLN A 103 8.554 12.444 8.502 1.00 0.00 C ATOM 1470 CG GLN A 103 8.672 12.431 10.019 1.00 0.00 C ATOM 1471 CD GLN A 103 9.333 11.173 10.555 1.00 0.00 C ATOM 1472 OE1 GLN A 103 8.668 10.172 10.813 1.00 0.00 O ATOM 1473 NE2 GLN A 103 10.640 11.222 10.754 1.00 0.00 N ATOM 0 H GLN A 103 9.673 10.563 7.310 1.00 0.00 H new ATOM 0 HA GLN A 103 7.280 10.747 8.769 1.00 0.00 H new ATOM 0 HB2 GLN A 103 9.553 12.462 8.067 1.00 0.00 H new ATOM 0 HB3 GLN A 103 8.054 13.362 8.192 1.00 0.00 H new ATOM 0 HG2 GLN A 103 9.245 13.301 10.340 1.00 0.00 H new ATOM 0 HG3 GLN A 103 7.678 12.526 10.456 1.00 0.00 H new ATOM 0 HE21 GLN A 103 11.159 12.071 10.528 1.00 0.00 H new ATOM 0 HE22 GLN A 103 11.129 10.411 11.134 1.00 0.00 H new ATOM 1482 N ALA A 104 7.121 11.714 5.661 1.00 0.00 N ATOM 1483 CA ALA A 104 6.197 12.044 4.594 1.00 0.00 C ATOM 1484 C ALA A 104 5.152 10.947 4.442 1.00 0.00 C ATOM 1485 O ALA A 104 3.983 11.143 4.776 1.00 0.00 O ATOM 1486 CB ALA A 104 6.950 12.254 3.289 1.00 0.00 C ATOM 0 H ALA A 104 8.066 11.492 5.347 1.00 0.00 H new ATOM 0 HA ALA A 104 5.686 12.972 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 104 6.243 12.501 2.497 1.00 0.00 H new ATOM 0 HB2 ALA A 104 7.662 13.070 3.407 1.00 0.00 H new ATOM 0 HB3 ALA A 104 7.485 11.341 3.026 1.00 0.00 H new ATOM 1492 N THR A 105 5.602 9.788 3.962 1.00 0.00 N ATOM 1493 CA THR A 105 4.732 8.635 3.728 1.00 0.00 C ATOM 1494 C THR A 105 5.456 7.589 2.880 1.00 0.00 C ATOM 1495 O THR A 105 5.165 6.395 2.962 1.00 0.00 O ATOM 1496 CB THR A 105 3.406 9.027 3.024 1.00 0.00 C ATOM 1497 OG1 THR A 105 2.577 7.875 2.844 1.00 0.00 O ATOM 1498 CG2 THR A 105 3.672 9.670 1.673 1.00 0.00 C ATOM 0 H THR A 105 6.580 9.622 3.724 1.00 0.00 H new ATOM 0 HA THR A 105 4.486 8.224 4.707 1.00 0.00 H new ATOM 0 HB THR A 105 2.895 9.748 3.662 1.00 0.00 H new ATOM 0 HG1 THR A 105 1.744 8.138 2.400 1.00 0.00 H new ATOM 0 HG21 THR A 105 2.725 9.934 1.203 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.272 10.569 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 105 4.210 8.968 1.036 1.00 0.00 H new ATOM 1506 N GLY A 106 6.428 8.045 2.092 1.00 0.00 N ATOM 1507 CA GLY A 106 7.113 7.168 1.156 1.00 0.00 C ATOM 1508 C GLY A 106 8.120 6.249 1.819 1.00 0.00 C ATOM 1509 O GLY A 106 8.784 5.472 1.133 1.00 0.00 O ATOM 0 H GLY A 106 6.754 9.011 2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 106 6.375 6.565 0.628 1.00 0.00 H new ATOM 0 HA3 GLY A 106 7.623 7.775 0.408 1.00 0.00 H new ATOM 1513 N SER A 107 8.229 6.326 3.153 1.00 0.00 N ATOM 1514 CA SER A 107 9.226 5.575 3.896 1.00 0.00 C ATOM 1515 C SER A 107 10.635 6.021 3.498 1.00 0.00 C ATOM 1516 O SER A 107 10.812 6.825 2.585 1.00 0.00 O ATOM 1517 CB SER A 107 9.033 4.078 3.667 1.00 0.00 C ATOM 1518 OG SER A 107 7.717 3.676 4.021 1.00 0.00 O ATOM 0 H SER A 107 7.628 6.909 3.735 1.00 0.00 H new ATOM 0 HA SER A 107 9.101 5.774 4.960 1.00 0.00 H new ATOM 0 HB2 SER A 107 9.221 3.839 2.620 1.00 0.00 H new ATOM 0 HB3 SER A 107 9.759 3.519 4.257 1.00 0.00 H new ATOM 0 HG SER A 107 7.616 2.714 3.865 1.00 0.00 H new ATOM 1524 N VAL A 108 11.635 5.528 4.198 1.00 0.00 N ATOM 1525 CA VAL A 108 13.003 5.884 3.890 1.00 0.00 C ATOM 1526 C VAL A 108 13.698 4.753 3.142 1.00 0.00 C ATOM 1527 O VAL A 108 14.093 3.737 3.721 1.00 0.00 O ATOM 1528 CB VAL A 108 13.786 6.296 5.159 1.00 0.00 C ATOM 1529 CG1 VAL A 108 13.441 5.396 6.332 1.00 0.00 C ATOM 1530 CG2 VAL A 108 15.290 6.304 4.907 1.00 0.00 C ATOM 0 H VAL A 108 11.527 4.883 4.980 1.00 0.00 H new ATOM 0 HA VAL A 108 12.983 6.755 3.236 1.00 0.00 H new ATOM 0 HB VAL A 108 13.485 7.312 5.412 1.00 0.00 H new ATOM 0 HG11 VAL A 108 14.006 5.709 7.210 1.00 0.00 H new ATOM 0 HG12 VAL A 108 12.374 5.467 6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 108 13.695 4.365 6.086 1.00 0.00 H new ATOM 0 HG21 VAL A 108 15.810 6.598 5.819 1.00 0.00 H new ATOM 0 HG22 VAL A 108 15.614 5.307 4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 108 15.522 7.013 4.112 1.00 0.00 H new ATOM 1540 N ASP A 109 13.784 4.925 1.834 1.00 0.00 N ATOM 1541 CA ASP A 109 14.486 3.985 0.974 1.00 0.00 C ATOM 1542 C ASP A 109 15.990 4.221 1.043 1.00 0.00 C ATOM 1543 O ASP A 109 16.448 5.346 1.264 1.00 0.00 O ATOM 1544 CB ASP A 109 13.997 4.104 -0.471 1.00 0.00 C ATOM 1545 CG ASP A 109 14.909 3.391 -1.454 1.00 0.00 C ATOM 1546 OD1 ASP A 109 15.112 2.166 -1.311 1.00 0.00 O ATOM 1547 OD2 ASP A 109 15.446 4.063 -2.354 1.00 0.00 O ATOM 0 H ASP A 109 13.372 5.716 1.339 1.00 0.00 H new ATOM 0 HA ASP A 109 14.274 2.976 1.327 1.00 0.00 H new ATOM 0 HB2 ASP A 109 12.992 3.689 -0.546 1.00 0.00 H new ATOM 0 HB3 ASP A 109 13.928 5.157 -0.742 1.00 0.00 H new ATOM 1552 N ASN A 110 16.751 3.156 0.847 1.00 0.00 N ATOM 1553 CA ASN A 110 18.200 3.217 0.959 1.00 0.00 C ATOM 1554 C ASN A 110 18.831 3.738 -0.324 1.00 0.00 C ATOM 1555 O ASN A 110 19.828 4.449 -0.279 1.00 0.00 O ATOM 1556 CB ASN A 110 18.767 1.836 1.291 1.00 0.00 C ATOM 1557 CG ASN A 110 18.538 1.421 2.735 1.00 0.00 C ATOM 1558 OD1 ASN A 110 17.461 1.900 3.339 1.00 0.00 O flip ATOM 1559 ND2 ASN A 110 19.330 0.667 3.301 1.00 0.00 N flip ATOM 0 H ASN A 110 16.387 2.234 0.608 1.00 0.00 H new ATOM 0 HA ASN A 110 18.442 3.909 1.766 1.00 0.00 H new ATOM 0 HB2 ASN A 110 18.312 1.097 0.632 1.00 0.00 H new ATOM 0 HB3 ASN A 110 19.837 1.832 1.085 1.00 0.00 H new ATOM 0 HD21 ASN A 110 20.148 0.319 2.802 1.00 0.00 H new ATOM 0 HD22 ASN A 110 19.168 0.390 4.269 1.00 0.00 H new ATOM 1566 N ALA A 111 18.239 3.396 -1.462 1.00 0.00 N ATOM 1567 CA ALA A 111 18.779 3.808 -2.754 1.00 0.00 C ATOM 1568 C ALA A 111 18.641 5.314 -2.940 1.00 0.00 C ATOM 1569 O ALA A 111 19.610 5.991 -3.280 1.00 0.00 O ATOM 1570 CB ALA A 111 18.086 3.064 -3.887 1.00 0.00 C ATOM 0 H ALA A 111 17.388 2.837 -1.518 1.00 0.00 H new ATOM 0 HA ALA A 111 19.839 3.556 -2.776 1.00 0.00 H new ATOM 0 HB1 ALA A 111 18.503 3.385 -4.842 1.00 0.00 H new ATOM 0 HB2 ALA A 111 18.240 1.992 -3.766 1.00 0.00 H new ATOM 0 HB3 ALA A 111 17.018 3.282 -3.866 1.00 0.00 H new ATOM 1576 N PHE A 112 17.437 5.827 -2.701 1.00 0.00 N ATOM 1577 CA PHE A 112 17.166 7.260 -2.800 1.00 0.00 C ATOM 1578 C PHE A 112 18.134 8.057 -1.932 1.00 0.00 C ATOM 1579 O PHE A 112 18.863 8.910 -2.434 1.00 0.00 O ATOM 1580 CB PHE A 112 15.724 7.562 -2.384 1.00 0.00 C ATOM 1581 CG PHE A 112 15.351 9.021 -2.464 1.00 0.00 C ATOM 1582 CD1 PHE A 112 14.904 9.569 -3.656 1.00 0.00 C ATOM 1583 CD2 PHE A 112 15.442 9.844 -1.350 1.00 0.00 C ATOM 1584 CE1 PHE A 112 14.560 10.905 -3.737 1.00 0.00 C ATOM 1585 CE2 PHE A 112 15.099 11.181 -1.426 1.00 0.00 C ATOM 1586 CZ PHE A 112 14.656 11.713 -2.621 1.00 0.00 C ATOM 0 H PHE A 112 16.627 5.267 -2.435 1.00 0.00 H new ATOM 0 HA PHE A 112 17.305 7.558 -3.839 1.00 0.00 H new ATOM 0 HB2 PHE A 112 15.047 6.990 -3.019 1.00 0.00 H new ATOM 0 HB3 PHE A 112 15.572 7.215 -1.362 1.00 0.00 H new ATOM 0 HD1 PHE A 112 14.823 8.944 -4.533 1.00 0.00 H new ATOM 0 HD2 PHE A 112 15.785 9.434 -0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.216 11.318 -4.674 1.00 0.00 H new ATOM 0 HE2 PHE A 112 15.177 11.809 -0.551 1.00 0.00 H new ATOM 0 HZ PHE A 112 14.386 12.757 -2.683 1.00 0.00 H new ATOM 1596 N THR A 113 18.139 7.767 -0.633 1.00 0.00 N ATOM 1597 CA THR A 113 19.012 8.464 0.303 1.00 0.00 C ATOM 1598 C THR A 113 20.475 8.378 -0.133 1.00 0.00 C ATOM 1599 O THR A 113 21.168 9.390 -0.194 1.00 0.00 O ATOM 1600 CB THR A 113 18.863 7.910 1.737 1.00 0.00 C ATOM 1601 OG1 THR A 113 18.906 6.479 1.721 1.00 0.00 O ATOM 1602 CG2 THR A 113 17.560 8.372 2.376 1.00 0.00 C ATOM 0 H THR A 113 17.548 7.054 -0.206 1.00 0.00 H new ATOM 0 HA THR A 113 18.706 9.510 0.302 1.00 0.00 H new ATOM 0 HB THR A 113 19.693 8.294 2.329 1.00 0.00 H new ATOM 0 HG1 THR A 113 18.004 6.126 1.572 1.00 0.00 H new ATOM 0 HG21 THR A 113 17.485 7.965 3.384 1.00 0.00 H new ATOM 0 HG22 THR A 113 17.543 9.461 2.422 1.00 0.00 H new ATOM 0 HG23 THR A 113 16.718 8.021 1.780 1.00 0.00 H new ATOM 1610 N ASN A 114 20.922 7.169 -0.461 1.00 0.00 N ATOM 1611 CA ASN A 114 22.298 6.927 -0.903 1.00 0.00 C ATOM 1612 C ASN A 114 22.662 7.771 -2.123 1.00 0.00 C ATOM 1613 O ASN A 114 23.687 8.448 -2.123 1.00 0.00 O ATOM 1614 CB ASN A 114 22.474 5.434 -1.219 1.00 0.00 C ATOM 1615 CG ASN A 114 23.772 5.095 -1.937 1.00 0.00 C ATOM 1616 OD1 ASN A 114 24.806 5.728 -1.731 1.00 0.00 O ATOM 1617 ND2 ASN A 114 23.718 4.087 -2.794 1.00 0.00 N ATOM 0 H ASN A 114 20.344 6.329 -0.429 1.00 0.00 H new ATOM 0 HA ASN A 114 22.971 7.219 -0.096 1.00 0.00 H new ATOM 0 HB2 ASN A 114 22.430 4.870 -0.287 1.00 0.00 H new ATOM 0 HB3 ASN A 114 21.636 5.103 -1.832 1.00 0.00 H new ATOM 0 HD21 ASN A 114 24.553 3.811 -3.311 1.00 0.00 H new ATOM 0 HD22 ASN A 114 22.841 3.586 -2.938 1.00 0.00 H new ATOM 1624 N GLU A 115 21.821 7.742 -3.151 1.00 0.00 N ATOM 1625 CA GLU A 115 22.092 8.453 -4.367 1.00 0.00 C ATOM 1626 C GLU A 115 22.095 9.960 -4.127 1.00 0.00 C ATOM 1627 O GLU A 115 22.980 10.669 -4.610 1.00 0.00 O ATOM 1628 CB GLU A 115 21.063 8.054 -5.417 1.00 0.00 C ATOM 1629 CG GLU A 115 21.222 8.821 -6.694 1.00 0.00 C ATOM 1630 CD GLU A 115 20.538 8.169 -7.877 1.00 0.00 C ATOM 1631 OE1 GLU A 115 19.321 8.365 -8.052 1.00 0.00 O ATOM 1632 OE2 GLU A 115 21.223 7.457 -8.646 1.00 0.00 O ATOM 0 H GLU A 115 20.942 7.225 -3.153 1.00 0.00 H new ATOM 0 HA GLU A 115 23.085 8.188 -4.730 1.00 0.00 H new ATOM 0 HB2 GLU A 115 21.154 6.988 -5.623 1.00 0.00 H new ATOM 0 HB3 GLU A 115 20.061 8.218 -5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 115 20.819 9.825 -6.559 1.00 0.00 H new ATOM 0 HG3 GLU A 115 22.284 8.931 -6.913 1.00 0.00 H new ATOM 1639 N VAL A 116 21.117 10.444 -3.366 1.00 0.00 N ATOM 1640 CA VAL A 116 21.075 11.854 -2.994 1.00 0.00 C ATOM 1641 C VAL A 116 22.339 12.234 -2.225 1.00 0.00 C ATOM 1642 O VAL A 116 23.008 13.205 -2.569 1.00 0.00 O ATOM 1643 CB VAL A 116 19.820 12.190 -2.152 1.00 0.00 C ATOM 1644 CG1 VAL A 116 19.872 13.625 -1.643 1.00 0.00 C ATOM 1645 CG2 VAL A 116 18.556 11.970 -2.973 1.00 0.00 C ATOM 0 H VAL A 116 20.348 9.884 -2.997 1.00 0.00 H new ATOM 0 HA VAL A 116 21.022 12.436 -3.914 1.00 0.00 H new ATOM 0 HB VAL A 116 19.803 11.522 -1.291 1.00 0.00 H new ATOM 0 HG11 VAL A 116 18.979 13.835 -1.055 1.00 0.00 H new ATOM 0 HG12 VAL A 116 20.756 13.758 -1.020 1.00 0.00 H new ATOM 0 HG13 VAL A 116 19.918 14.310 -2.490 1.00 0.00 H new ATOM 0 HG21 VAL A 116 17.682 12.210 -2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 116 18.576 12.614 -3.852 1.00 0.00 H new ATOM 0 HG23 VAL A 116 18.503 10.928 -3.288 1.00 0.00 H new ATOM 1655 N MET A 117 22.674 11.439 -1.212 1.00 0.00 N ATOM 1656 CA MET A 117 23.881 11.657 -0.418 1.00 0.00 C ATOM 1657 C MET A 117 25.119 11.678 -1.300 1.00 0.00 C ATOM 1658 O MET A 117 25.950 12.579 -1.191 1.00 0.00 O ATOM 1659 CB MET A 117 24.017 10.576 0.659 1.00 0.00 C ATOM 1660 CG MET A 117 22.990 10.700 1.775 1.00 0.00 C ATOM 1661 SD MET A 117 22.733 12.405 2.308 1.00 0.00 S ATOM 1662 CE MET A 117 24.375 12.851 2.870 1.00 0.00 C ATOM 0 H MET A 117 22.122 10.632 -0.920 1.00 0.00 H new ATOM 0 HA MET A 117 23.792 12.629 0.068 1.00 0.00 H new ATOM 0 HB2 MET A 117 23.919 9.595 0.193 1.00 0.00 H new ATOM 0 HB3 MET A 117 25.017 10.626 1.089 1.00 0.00 H new ATOM 0 HG2 MET A 117 22.041 10.284 1.436 1.00 0.00 H new ATOM 0 HG3 MET A 117 23.314 10.103 2.628 1.00 0.00 H new ATOM 0 HE1 MET A 117 24.344 13.833 3.342 1.00 0.00 H new ATOM 0 HE2 MET A 117 24.726 12.113 3.591 1.00 0.00 H new ATOM 0 HE3 MET A 117 25.056 12.879 2.019 1.00 0.00 H new ATOM 1672 N GLN A 118 25.223 10.691 -2.178 1.00 0.00 N ATOM 1673 CA GLN A 118 26.330 10.607 -3.120 1.00 0.00 C ATOM 1674 C GLN A 118 26.439 11.896 -3.929 1.00 0.00 C ATOM 1675 O GLN A 118 27.515 12.486 -4.039 1.00 0.00 O ATOM 1676 CB GLN A 118 26.120 9.425 -4.067 1.00 0.00 C ATOM 1677 CG GLN A 118 27.256 9.219 -5.053 1.00 0.00 C ATOM 1678 CD GLN A 118 26.878 8.280 -6.180 1.00 0.00 C ATOM 1679 OE1 GLN A 118 26.386 8.712 -7.223 1.00 0.00 O ATOM 1680 NE2 GLN A 118 27.084 6.989 -5.979 1.00 0.00 N ATOM 0 H GLN A 118 24.548 9.931 -2.258 1.00 0.00 H new ATOM 0 HA GLN A 118 27.253 10.462 -2.559 1.00 0.00 H new ATOM 0 HB2 GLN A 118 25.994 8.517 -3.477 1.00 0.00 H new ATOM 0 HB3 GLN A 118 25.194 9.576 -4.621 1.00 0.00 H new ATOM 0 HG2 GLN A 118 27.551 10.182 -5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 118 28.123 8.820 -4.526 1.00 0.00 H new ATOM 0 HE21 GLN A 118 27.494 6.668 -5.102 1.00 0.00 H new ATOM 0 HE22 GLN A 118 26.833 6.314 -6.701 1.00 0.00 H new ATOM 1689 N LEU A 119 25.313 12.329 -4.477 1.00 0.00 N ATOM 1690 CA LEU A 119 25.265 13.530 -5.296 1.00 0.00 C ATOM 1691 C LEU A 119 25.591 14.778 -4.481 1.00 0.00 C ATOM 1692 O LEU A 119 26.361 15.617 -4.928 1.00 0.00 O ATOM 1693 CB LEU A 119 23.893 13.658 -5.957 1.00 0.00 C ATOM 1694 CG LEU A 119 23.646 12.677 -7.104 1.00 0.00 C ATOM 1695 CD1 LEU A 119 22.154 12.482 -7.328 1.00 0.00 C ATOM 1696 CD2 LEU A 119 24.306 13.178 -8.379 1.00 0.00 C ATOM 0 H LEU A 119 24.413 11.861 -4.367 1.00 0.00 H new ATOM 0 HA LEU A 119 26.025 13.441 -6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 119 23.124 13.512 -5.199 1.00 0.00 H new ATOM 0 HB3 LEU A 119 23.779 14.674 -6.334 1.00 0.00 H new ATOM 0 HG LEU A 119 24.085 11.716 -6.835 1.00 0.00 H new ATOM 0 HD11 LEU A 119 21.998 11.781 -8.148 1.00 0.00 H new ATOM 0 HD12 LEU A 119 21.698 12.086 -6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 119 21.695 13.439 -7.577 1.00 0.00 H new ATOM 0 HD21 LEU A 119 24.122 12.470 -9.187 1.00 0.00 H new ATOM 0 HD22 LEU A 119 23.890 14.149 -8.646 1.00 0.00 H new ATOM 0 HD23 LEU A 119 25.380 13.275 -8.219 1.00 0.00 H new ATOM 1708 N VAL A 120 25.024 14.891 -3.284 1.00 0.00 N ATOM 1709 CA VAL A 120 25.293 16.039 -2.415 1.00 0.00 C ATOM 1710 C VAL A 120 26.792 16.172 -2.138 1.00 0.00 C ATOM 1711 O VAL A 120 27.354 17.265 -2.199 1.00 0.00 O ATOM 1712 CB VAL A 120 24.523 15.937 -1.073 1.00 0.00 C ATOM 1713 CG1 VAL A 120 24.933 17.053 -0.120 1.00 0.00 C ATOM 1714 CG2 VAL A 120 23.021 15.981 -1.313 1.00 0.00 C ATOM 0 H VAL A 120 24.377 14.206 -2.892 1.00 0.00 H new ATOM 0 HA VAL A 120 24.944 16.927 -2.943 1.00 0.00 H new ATOM 0 HB VAL A 120 24.779 14.982 -0.614 1.00 0.00 H new ATOM 0 HG11 VAL A 120 24.378 16.957 0.813 1.00 0.00 H new ATOM 0 HG12 VAL A 120 26.001 16.982 0.085 1.00 0.00 H new ATOM 0 HG13 VAL A 120 24.714 18.019 -0.575 1.00 0.00 H new ATOM 0 HG21 VAL A 120 22.498 15.908 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 120 22.758 16.920 -1.800 1.00 0.00 H new ATOM 0 HG23 VAL A 120 22.730 15.147 -1.951 1.00 0.00 H new ATOM 1724 N LYS A 121 27.435 15.049 -1.866 1.00 0.00 N ATOM 1725 CA LYS A 121 28.861 15.027 -1.571 1.00 0.00 C ATOM 1726 C LYS A 121 29.688 15.306 -2.827 1.00 0.00 C ATOM 1727 O LYS A 121 30.644 16.081 -2.800 1.00 0.00 O ATOM 1728 CB LYS A 121 29.226 13.665 -0.985 1.00 0.00 C ATOM 1729 CG LYS A 121 28.535 13.386 0.341 1.00 0.00 C ATOM 1730 CD LYS A 121 28.453 11.897 0.646 1.00 0.00 C ATOM 1731 CE LYS A 121 29.827 11.270 0.798 1.00 0.00 C ATOM 1732 NZ LYS A 121 29.737 9.830 1.149 1.00 0.00 N ATOM 0 H LYS A 121 26.989 14.132 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 121 29.086 15.811 -0.848 1.00 0.00 H new ATOM 0 HB2 LYS A 121 28.960 12.885 -1.699 1.00 0.00 H new ATOM 0 HB3 LYS A 121 30.306 13.613 -0.844 1.00 0.00 H new ATOM 0 HG2 LYS A 121 29.075 13.890 1.143 1.00 0.00 H new ATOM 0 HG3 LYS A 121 27.530 13.807 0.320 1.00 0.00 H new ATOM 0 HD2 LYS A 121 27.882 11.746 1.562 1.00 0.00 H new ATOM 0 HD3 LYS A 121 27.911 11.393 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 121 30.384 11.384 -0.132 1.00 0.00 H new ATOM 0 HE3 LYS A 121 30.385 11.799 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 121 30.695 9.435 1.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 121 29.227 9.723 2.049 1.00 0.00 H new ATOM 0 HZ3 LYS A 121 29.226 9.321 0.399 1.00 0.00 H new ATOM 1746 N MET A 122 29.295 14.686 -3.930 1.00 0.00 N ATOM 1747 CA MET A 122 30.035 14.791 -5.184 1.00 0.00 C ATOM 1748 C MET A 122 29.843 16.157 -5.840 1.00 0.00 C ATOM 1749 O MET A 122 30.725 16.649 -6.544 1.00 0.00 O ATOM 1750 CB MET A 122 29.592 13.670 -6.133 1.00 0.00 C ATOM 1751 CG MET A 122 30.216 13.732 -7.516 1.00 0.00 C ATOM 1752 SD MET A 122 29.702 12.356 -8.570 1.00 0.00 S ATOM 1753 CE MET A 122 27.918 12.562 -8.562 1.00 0.00 C ATOM 0 H MET A 122 28.462 14.100 -3.984 1.00 0.00 H new ATOM 0 HA MET A 122 31.098 14.685 -4.966 1.00 0.00 H new ATOM 0 HB2 MET A 122 29.838 12.710 -5.680 1.00 0.00 H new ATOM 0 HB3 MET A 122 28.507 13.706 -6.236 1.00 0.00 H new ATOM 0 HG2 MET A 122 29.942 14.673 -7.993 1.00 0.00 H new ATOM 0 HG3 MET A 122 31.302 13.727 -7.422 1.00 0.00 H new ATOM 0 HE1 MET A 122 27.519 12.315 -9.546 1.00 0.00 H new ATOM 0 HE2 MET A 122 27.479 11.901 -7.815 1.00 0.00 H new ATOM 0 HE3 MET A 122 27.672 13.596 -8.320 1.00 0.00 H new ATOM 1763 N LEU A 123 28.704 16.779 -5.593 1.00 0.00 N ATOM 1764 CA LEU A 123 28.389 18.059 -6.210 1.00 0.00 C ATOM 1765 C LEU A 123 28.759 19.217 -5.291 1.00 0.00 C ATOM 1766 O LEU A 123 28.378 20.360 -5.537 1.00 0.00 O ATOM 1767 CB LEU A 123 26.905 18.130 -6.581 1.00 0.00 C ATOM 1768 CG LEU A 123 26.444 17.109 -7.626 1.00 0.00 C ATOM 1769 CD1 LEU A 123 24.935 17.180 -7.803 1.00 0.00 C ATOM 1770 CD2 LEU A 123 27.144 17.345 -8.955 1.00 0.00 C ATOM 0 H LEU A 123 27.981 16.420 -4.970 1.00 0.00 H new ATOM 0 HA LEU A 123 28.981 18.144 -7.121 1.00 0.00 H new ATOM 0 HB2 LEU A 123 26.314 17.992 -5.676 1.00 0.00 H new ATOM 0 HB3 LEU A 123 26.688 19.131 -6.954 1.00 0.00 H new ATOM 0 HG LEU A 123 26.709 16.113 -7.272 1.00 0.00 H new ATOM 0 HD11 LEU A 123 24.621 16.449 -8.548 1.00 0.00 H new ATOM 0 HD12 LEU A 123 24.447 16.962 -6.853 1.00 0.00 H new ATOM 0 HD13 LEU A 123 24.654 18.180 -8.134 1.00 0.00 H new ATOM 0 HD21 LEU A 123 26.802 16.609 -9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 123 26.911 18.347 -9.316 1.00 0.00 H new ATOM 0 HD23 LEU A 123 28.221 17.249 -8.821 1.00 0.00 H new ATOM 1782 N SER A 124 29.505 18.926 -4.234 1.00 0.00 N ATOM 1783 CA SER A 124 29.979 19.971 -3.345 1.00 0.00 C ATOM 1784 C SER A 124 31.502 20.017 -3.356 1.00 0.00 C ATOM 1785 O SER A 124 32.097 21.000 -3.798 1.00 0.00 O ATOM 1786 CB SER A 124 29.447 19.756 -1.925 1.00 0.00 C ATOM 1787 OG SER A 124 29.681 18.430 -1.488 1.00 0.00 O ATOM 0 H SER A 124 29.792 17.982 -3.975 1.00 0.00 H new ATOM 0 HA SER A 124 29.603 20.930 -3.700 1.00 0.00 H new ATOM 0 HB2 SER A 124 29.928 20.457 -1.243 1.00 0.00 H new ATOM 0 HB3 SER A 124 28.378 19.968 -1.898 1.00 0.00 H new ATOM 0 HG SER A 124 29.017 17.831 -1.890 1.00 0.00 H new ATOM 1793 N ALA A 125 32.126 18.936 -2.906 1.00 0.00 N ATOM 1794 CA ALA A 125 33.575 18.861 -2.857 1.00 0.00 C ATOM 1795 C ALA A 125 34.063 17.468 -3.224 1.00 0.00 C ATOM 1796 O ALA A 125 34.008 16.538 -2.416 1.00 0.00 O ATOM 1797 CB ALA A 125 34.081 19.249 -1.482 1.00 0.00 C ATOM 0 H ALA A 125 31.648 18.100 -2.570 1.00 0.00 H new ATOM 0 HA ALA A 125 33.972 19.565 -3.588 1.00 0.00 H new ATOM 0 HB1 ALA A 125 35.169 19.187 -1.464 1.00 0.00 H new ATOM 0 HB2 ALA A 125 33.772 20.269 -1.255 1.00 0.00 H new ATOM 0 HB3 ALA A 125 33.666 18.570 -0.737 1.00 0.00 H new ATOM 1803 N ASP A 126 34.554 17.336 -4.443 1.00 0.00 N ATOM 1804 CA ASP A 126 35.040 16.056 -4.945 1.00 0.00 C ATOM 1805 C ASP A 126 36.468 15.805 -4.458 1.00 0.00 C ATOM 1806 O ASP A 126 37.403 15.643 -5.245 1.00 0.00 O ATOM 1807 CB ASP A 126 34.958 16.028 -6.477 1.00 0.00 C ATOM 1808 CG ASP A 126 35.387 14.702 -7.075 1.00 0.00 C ATOM 1809 OD1 ASP A 126 35.115 13.646 -6.468 1.00 0.00 O ATOM 1810 OD2 ASP A 126 35.993 14.713 -8.167 1.00 0.00 O ATOM 0 H ASP A 126 34.628 18.104 -5.111 1.00 0.00 H new ATOM 0 HA ASP A 126 34.410 15.255 -4.558 1.00 0.00 H new ATOM 0 HB2 ASP A 126 33.934 16.243 -6.783 1.00 0.00 H new ATOM 0 HB3 ASP A 126 35.585 16.822 -6.882 1.00 0.00 H new ATOM 1815 N SER A 127 36.627 15.804 -3.143 1.00 0.00 N ATOM 1816 CA SER A 127 37.920 15.566 -2.510 1.00 0.00 C ATOM 1817 C SER A 127 37.737 15.133 -1.063 1.00 0.00 C ATOM 1818 O SER A 127 38.601 14.477 -0.484 1.00 0.00 O ATOM 1819 CB SER A 127 38.790 16.829 -2.554 1.00 0.00 C ATOM 1820 OG SER A 127 39.046 17.244 -3.887 1.00 0.00 O ATOM 0 H SER A 127 35.866 15.968 -2.484 1.00 0.00 H new ATOM 0 HA SER A 127 38.418 14.770 -3.064 1.00 0.00 H new ATOM 0 HB2 SER A 127 38.292 17.633 -2.012 1.00 0.00 H new ATOM 0 HB3 SER A 127 39.735 16.638 -2.045 1.00 0.00 H new ATOM 0 HG SER A 127 38.746 16.549 -4.509 1.00 0.00 H new ATOM 1826 N ALA A 128 36.600 15.492 -0.491 1.00 0.00 N ATOM 1827 CA ALA A 128 36.346 15.249 0.919 1.00 0.00 C ATOM 1828 C ALA A 128 36.042 13.779 1.187 1.00 0.00 C ATOM 1829 O ALA A 128 34.929 13.313 0.941 1.00 0.00 O ATOM 1830 CB ALA A 128 35.206 16.126 1.411 1.00 0.00 C ATOM 0 H ALA A 128 35.836 15.954 -0.983 1.00 0.00 H new ATOM 0 HA ALA A 128 37.251 15.506 1.469 1.00 0.00 H new ATOM 0 HB1 ALA A 128 35.028 15.932 2.469 1.00 0.00 H new ATOM 0 HB2 ALA A 128 35.468 17.175 1.274 1.00 0.00 H new ATOM 0 HB3 ALA A 128 34.303 15.901 0.844 1.00 0.00 H new ATOM 1836 N ASN A 129 37.068 13.055 1.636 1.00 0.00 N ATOM 1837 CA ASN A 129 36.928 11.669 2.116 1.00 0.00 C ATOM 1838 C ASN A 129 36.756 10.687 0.960 1.00 0.00 C ATOM 1839 O ASN A 129 36.684 9.475 1.158 1.00 0.00 O ATOM 1840 CB ASN A 129 35.760 11.558 3.112 1.00 0.00 C ATOM 1841 CG ASN A 129 35.712 10.227 3.845 1.00 0.00 C ATOM 1842 OD1 ASN A 129 35.011 9.301 3.436 1.00 0.00 O ATOM 1843 ND2 ASN A 129 36.455 10.123 4.940 1.00 0.00 N ATOM 0 H ASN A 129 38.024 13.409 1.679 1.00 0.00 H new ATOM 0 HA ASN A 129 37.849 11.402 2.633 1.00 0.00 H new ATOM 0 HB2 ASN A 129 35.838 12.363 3.842 1.00 0.00 H new ATOM 0 HB3 ASN A 129 34.822 11.703 2.577 1.00 0.00 H new ATOM 0 HD21 ASN A 129 36.458 9.254 5.474 1.00 0.00 H new ATOM 0 HD22 ASN A 129 37.023 10.912 5.248 1.00 0.00 H new ATOM 1850 N GLU A 130 36.714 11.212 -0.251 1.00 0.00 N ATOM 1851 CA GLU A 130 36.639 10.371 -1.434 1.00 0.00 C ATOM 1852 C GLU A 130 37.900 9.516 -1.535 1.00 0.00 C ATOM 1853 O GLU A 130 38.995 9.993 -1.236 1.00 0.00 O ATOM 1854 CB GLU A 130 36.473 11.223 -2.695 1.00 0.00 C ATOM 1855 CG GLU A 130 35.377 10.724 -3.628 1.00 0.00 C ATOM 1856 CD GLU A 130 35.585 9.291 -4.085 1.00 0.00 C ATOM 1857 OE1 GLU A 130 35.238 8.362 -3.324 1.00 0.00 O ATOM 1858 OE2 GLU A 130 36.091 9.086 -5.208 1.00 0.00 O ATOM 0 H GLU A 130 36.730 12.214 -0.442 1.00 0.00 H new ATOM 0 HA GLU A 130 35.769 9.720 -1.348 1.00 0.00 H new ATOM 0 HB2 GLU A 130 36.251 12.249 -2.403 1.00 0.00 H new ATOM 0 HB3 GLU A 130 37.419 11.243 -3.237 1.00 0.00 H new ATOM 0 HG2 GLU A 130 34.415 10.801 -3.121 1.00 0.00 H new ATOM 0 HG3 GLU A 130 35.329 11.374 -4.502 1.00 0.00 H new ATOM 1865 N VAL A 131 37.715 8.253 -1.926 1.00 0.00 N ATOM 1866 CA VAL A 131 38.795 7.256 -2.055 1.00 0.00 C ATOM 1867 C VAL A 131 39.625 7.117 -0.764 1.00 0.00 C ATOM 1868 O VAL A 131 40.713 6.537 -0.760 1.00 0.00 O ATOM 1869 CB VAL A 131 39.717 7.538 -3.285 1.00 0.00 C ATOM 1870 CG1 VAL A 131 40.789 8.586 -2.996 1.00 0.00 C ATOM 1871 CG2 VAL A 131 40.349 6.245 -3.787 1.00 0.00 C ATOM 0 H VAL A 131 36.796 7.882 -2.168 1.00 0.00 H new ATOM 0 HA VAL A 131 38.300 6.300 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 131 39.080 7.952 -4.067 1.00 0.00 H new ATOM 0 HG11 VAL A 131 41.398 8.739 -3.887 1.00 0.00 H new ATOM 0 HG12 VAL A 131 40.313 9.526 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 131 41.423 8.242 -2.178 1.00 0.00 H new ATOM 0 HG21 VAL A 131 40.988 6.461 -4.644 1.00 0.00 H new ATOM 0 HG22 VAL A 131 40.947 5.800 -2.992 1.00 0.00 H new ATOM 0 HG23 VAL A 131 39.565 5.549 -4.085 1.00 0.00 H new ATOM 1881 N SER A 132 39.085 7.608 0.344 1.00 0.00 N ATOM 1882 CA SER A 132 39.761 7.505 1.626 1.00 0.00 C ATOM 1883 C SER A 132 39.249 6.295 2.401 1.00 0.00 C ATOM 1884 O SER A 132 38.211 6.357 3.063 1.00 0.00 O ATOM 1885 CB SER A 132 39.559 8.787 2.437 1.00 0.00 C ATOM 1886 OG SER A 132 39.945 9.925 1.683 1.00 0.00 O ATOM 0 H SER A 132 38.182 8.081 0.379 1.00 0.00 H new ATOM 0 HA SER A 132 40.828 7.373 1.448 1.00 0.00 H new ATOM 0 HB2 SER A 132 38.513 8.877 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 132 40.144 8.738 3.355 1.00 0.00 H new ATOM 0 HG SER A 132 39.467 9.928 0.827 1.00 0.00 H new ATOM 1892 N THR A 133 39.957 5.185 2.272 1.00 0.00 N ATOM 1893 CA THR A 133 39.606 3.964 2.974 1.00 0.00 C ATOM 1894 C THR A 133 40.431 3.832 4.251 1.00 0.00 C ATOM 1895 O THR A 133 39.889 4.086 5.345 1.00 0.00 O ATOM 1896 CB THR A 133 39.832 2.730 2.082 1.00 0.00 C ATOM 1897 OG1 THR A 133 41.175 2.733 1.580 1.00 0.00 O ATOM 1898 CG2 THR A 133 38.853 2.714 0.917 1.00 0.00 C ATOM 0 H THR A 133 40.785 5.106 1.682 1.00 0.00 H new ATOM 0 HA THR A 133 38.548 4.017 3.232 1.00 0.00 H new ATOM 0 HB THR A 133 39.667 1.837 2.685 1.00 0.00 H new ATOM 0 HG1 THR A 133 41.315 1.945 1.014 1.00 0.00 H new ATOM 0 HG21 THR A 133 39.034 1.832 0.302 1.00 0.00 H new ATOM 0 HG22 THR A 133 37.833 2.687 1.300 1.00 0.00 H new ATOM 0 HG23 THR A 133 38.991 3.611 0.314 1.00 0.00 H new TER 1906 THR A 133