USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1079 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 126 TYR OH : rot -7:sc= 0.931 USER MOD Set 1.2: A 130 MET CE :methyl -115:sc= -4.22! (180deg=-9.35!) USER MOD Set 2.1: A 73 THR OG1 : rot 180:sc= 0.703 USER MOD Set 2.2: A 86 LYS NZ :NH3+ 144:sc= 0.799 (180deg=0) USER MOD Set 3.1: A 58 GLN : amide:sc= -1.11! C(o=-0.7!,f=-8!) USER MOD Set 3.2: A 62 LYS NZ :NH3+ -169:sc= 0.411 (180deg=-0.224) USER MOD Single : A 1 SER N :NH3+ 151:sc= 0.0673 (180deg=0.00118) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0603 USER MOD Single : A 2 MET CE :methyl -154:sc= 0 (180deg=-0.368) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ -174:sc= 0.828 (180deg=0.517) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0034 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 1.3 (180deg=1.3) USER MOD Single : A 20 SER OG : rot 82:sc= 1.24 USER MOD Single : A 21 HIS : no HD1:sc= -0.483 K(o=-0.48,f=-2.6) USER MOD Single : A 29 THR OG1 : rot 143:sc= 0.0774 USER MOD Single : A 33 LYS NZ :NH3+ 170:sc= 0.808 (180deg=0.581) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 9:sc= 0.559 USER MOD Single : A 40 ASN : amide:sc= -3.23! C(o=-3.2!,f=-13!) USER MOD Single : A 47 CYS SG : rot -21:sc= -0.0799 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 171:sc= 0.673 (180deg=0.376) USER MOD Single : A 53 SER OG : rot 68:sc= 0.398 USER MOD Single : A 54 LYS NZ :NH3+ 172:sc=-0.00767 (180deg=-0.0884) USER MOD Single : A 57 GLN : amide:sc= -0.237 K(o=-0.24,f=-0.74) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.14 F(o=-1.9!,f=0.14) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= -1.77 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 GLN : amide:sc= -0.0644 X(o=-0.064,f=-0.32) USER MOD Single : A 77 LYS NZ :NH3+ -171:sc=-0.00134 (180deg=-0.118) USER MOD Single : A 80 ASN : amide:sc= -0.113 X(o=-0.11,f=0) USER MOD Single : A 84 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.4!) USER MOD Single : A 85 THR OG1 : rot 116:sc= 1.23 USER MOD Single : A 90 THR OG1 : rot -6:sc= 1.2 USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 92 SER OG : rot -44:sc= 0.177 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 97 THR OG1 : rot 180:sc= 0.0219 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot -95:sc= 0.961 USER MOD Single : A 105 GLN : amide:sc= -4.1! C(o=-4.1!,f=-8.8!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 110:sc= -0.126 USER MOD Single : A 110 GLN :FLIP amide:sc= -0.383 F(o=-1,f=-0.38) USER MOD Single : A 112 MET CE :methyl -126:sc= -2.6 (180deg=-4.29!) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot -12:sc= 0.697 USER MOD Single : A 117 TYR OH : rot 12:sc= 0.167 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0522 USER MOD Single : A 122 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00909) USER MOD Single : A 123 SER OG : rot -80:sc= -1.33! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 142.369 7.256 11.524 1.00 0.00 N ATOM 2 CA SER A 1 142.876 6.299 10.576 1.00 0.00 C ATOM 3 C SER A 1 141.703 5.653 9.850 1.00 0.00 C ATOM 4 O SER A 1 140.932 4.877 10.437 1.00 0.00 O ATOM 5 CB SER A 1 143.708 5.261 11.323 1.00 0.00 C ATOM 6 OG SER A 1 144.723 5.910 12.098 1.00 0.00 O ATOM 0 H1 SER A 1 143.030 7.336 12.323 1.00 0.00 H new ATOM 0 H2 SER A 1 142.270 8.183 11.062 1.00 0.00 H new ATOM 0 H3 SER A 1 141.441 6.941 11.872 1.00 0.00 H new ATOM 0 HA SER A 1 143.512 6.784 9.835 1.00 0.00 H new ATOM 0 HB2 SER A 1 143.065 4.668 11.974 1.00 0.00 H new ATOM 0 HB3 SER A 1 144.166 4.572 10.614 1.00 0.00 H new ATOM 0 HG SER A 1 145.251 5.236 12.575 1.00 0.00 H new ATOM 14 N MET A 2 141.539 6.015 8.602 1.00 0.00 N ATOM 15 CA MET A 2 140.452 5.536 7.779 1.00 0.00 C ATOM 16 C MET A 2 140.970 5.585 6.345 1.00 0.00 C ATOM 17 O MET A 2 142.196 5.656 6.142 1.00 0.00 O ATOM 18 CB MET A 2 139.243 6.483 7.967 1.00 0.00 C ATOM 19 CG MET A 2 137.846 5.826 7.995 1.00 0.00 C ATOM 20 SD MET A 2 137.379 4.944 6.490 1.00 0.00 S ATOM 21 CE MET A 2 135.683 4.496 6.878 1.00 0.00 C ATOM 0 H MET A 2 142.165 6.660 8.120 1.00 0.00 H new ATOM 0 HA MET A 2 140.131 4.527 8.037 1.00 0.00 H new ATOM 0 HB2 MET A 2 139.381 7.030 8.900 1.00 0.00 H new ATOM 0 HB3 MET A 2 139.258 7.218 7.162 1.00 0.00 H new ATOM 0 HG2 MET A 2 137.807 5.129 8.832 1.00 0.00 H new ATOM 0 HG3 MET A 2 137.103 6.599 8.189 1.00 0.00 H new ATOM 0 HE1 MET A 2 135.405 3.603 6.317 1.00 0.00 H new ATOM 0 HE2 MET A 2 135.595 4.296 7.946 1.00 0.00 H new ATOM 0 HE3 MET A 2 135.019 5.316 6.606 1.00 0.00 H new ATOM 31 N VAL A 3 140.089 5.554 5.382 1.00 0.00 N ATOM 32 CA VAL A 3 140.467 5.614 3.987 1.00 0.00 C ATOM 33 C VAL A 3 141.113 6.961 3.640 1.00 0.00 C ATOM 34 O VAL A 3 140.634 8.045 4.043 1.00 0.00 O ATOM 35 CB VAL A 3 139.261 5.318 3.039 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.121 6.277 3.302 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.672 5.399 1.573 1.00 0.00 C ATOM 0 H VAL A 3 139.083 5.486 5.539 1.00 0.00 H new ATOM 0 HA VAL A 3 141.208 4.830 3.828 1.00 0.00 H new ATOM 0 HB VAL A 3 138.927 4.302 3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.293 6.051 2.630 1.00 0.00 H new ATOM 0 HG12 VAL A 3 137.789 6.173 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 3 138.459 7.299 3.131 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.809 5.188 0.941 1.00 0.00 H new ATOM 0 HG22 VAL A 3 140.046 6.399 1.355 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.455 4.668 1.374 1.00 0.00 H new ATOM 47 N SER A 4 142.215 6.873 2.965 1.00 0.00 N ATOM 48 CA SER A 4 142.935 7.996 2.479 1.00 0.00 C ATOM 49 C SER A 4 142.205 8.583 1.275 1.00 0.00 C ATOM 50 O SER A 4 141.652 7.838 0.465 1.00 0.00 O ATOM 51 CB SER A 4 144.336 7.528 2.113 1.00 0.00 C ATOM 52 OG SER A 4 144.979 6.950 3.249 1.00 0.00 O ATOM 0 H SER A 4 142.650 5.981 2.731 1.00 0.00 H new ATOM 0 HA SER A 4 143.006 8.779 3.234 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.283 6.797 1.306 1.00 0.00 H new ATOM 0 HB3 SER A 4 144.923 8.369 1.744 1.00 0.00 H new ATOM 0 HG SER A 4 145.878 6.652 2.999 1.00 0.00 H new ATOM 58 N PRO A 5 142.163 9.930 1.170 1.00 0.00 N ATOM 59 CA PRO A 5 141.482 10.654 0.079 1.00 0.00 C ATOM 60 C PRO A 5 141.763 10.101 -1.320 1.00 0.00 C ATOM 61 O PRO A 5 140.891 10.128 -2.181 1.00 0.00 O ATOM 62 CB PRO A 5 142.042 12.064 0.205 1.00 0.00 C ATOM 63 CG PRO A 5 142.295 12.219 1.656 1.00 0.00 C ATOM 64 CD PRO A 5 142.756 10.873 2.142 1.00 0.00 C ATOM 0 HA PRO A 5 140.399 10.575 0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 5 142.957 12.184 -0.375 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.334 12.809 -0.159 1.00 0.00 H new ATOM 0 HG2 PRO A 5 143.052 12.981 1.841 1.00 0.00 H new ATOM 0 HG3 PRO A 5 141.392 12.534 2.178 1.00 0.00 H new ATOM 0 HD2 PRO A 5 143.844 10.803 2.156 1.00 0.00 H new ATOM 0 HD3 PRO A 5 142.411 10.673 3.156 1.00 0.00 H new ATOM 72 N GLU A 6 142.958 9.575 -1.530 1.00 0.00 N ATOM 73 CA GLU A 6 143.331 9.038 -2.834 1.00 0.00 C ATOM 74 C GLU A 6 142.515 7.749 -3.090 1.00 0.00 C ATOM 75 O GLU A 6 141.791 7.624 -4.092 1.00 0.00 O ATOM 76 CB GLU A 6 144.846 8.741 -2.857 1.00 0.00 C ATOM 77 CG GLU A 6 145.495 8.684 -4.241 1.00 0.00 C ATOM 78 CD GLU A 6 144.826 7.729 -5.180 1.00 0.00 C ATOM 79 OE1 GLU A 6 145.011 6.495 -5.045 1.00 0.00 O ATOM 80 OE2 GLU A 6 144.097 8.187 -6.063 1.00 0.00 O ATOM 0 H GLU A 6 143.686 9.507 -0.819 1.00 0.00 H new ATOM 0 HA GLU A 6 143.113 9.762 -3.619 1.00 0.00 H new ATOM 0 HB2 GLU A 6 145.355 9.505 -2.269 1.00 0.00 H new ATOM 0 HB3 GLU A 6 145.017 7.788 -2.357 1.00 0.00 H new ATOM 0 HG2 GLU A 6 145.481 9.681 -4.680 1.00 0.00 H new ATOM 0 HG3 GLU A 6 146.541 8.399 -4.131 1.00 0.00 H new ATOM 87 N GLU A 7 142.590 6.827 -2.156 1.00 0.00 N ATOM 88 CA GLU A 7 141.888 5.559 -2.268 1.00 0.00 C ATOM 89 C GLU A 7 140.365 5.828 -2.292 1.00 0.00 C ATOM 90 O GLU A 7 139.587 5.081 -2.894 1.00 0.00 O ATOM 91 CB GLU A 7 142.252 4.673 -1.068 1.00 0.00 C ATOM 92 CG GLU A 7 141.858 3.220 -1.205 1.00 0.00 C ATOM 93 CD GLU A 7 142.631 2.539 -2.302 1.00 0.00 C ATOM 94 OE1 GLU A 7 142.181 2.553 -3.462 1.00 0.00 O ATOM 95 OE2 GLU A 7 143.700 1.990 -2.029 1.00 0.00 O ATOM 0 H GLU A 7 143.135 6.930 -1.300 1.00 0.00 H new ATOM 0 HA GLU A 7 142.176 5.048 -3.187 1.00 0.00 H new ATOM 0 HB2 GLU A 7 143.329 4.729 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.776 5.081 -0.176 1.00 0.00 H new ATOM 0 HG2 GLU A 7 142.033 2.704 -0.261 1.00 0.00 H new ATOM 0 HG3 GLU A 7 140.790 3.150 -1.413 1.00 0.00 H new ATOM 102 N ALA A 8 139.967 6.917 -1.644 1.00 0.00 N ATOM 103 CA ALA A 8 138.587 7.333 -1.606 1.00 0.00 C ATOM 104 C ALA A 8 138.116 7.879 -2.966 1.00 0.00 C ATOM 105 O ALA A 8 137.005 7.578 -3.378 1.00 0.00 O ATOM 106 CB ALA A 8 138.340 8.328 -0.465 1.00 0.00 C ATOM 0 H ALA A 8 140.600 7.531 -1.132 1.00 0.00 H new ATOM 0 HA ALA A 8 137.982 6.450 -1.401 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.291 8.624 -0.461 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.588 7.859 0.487 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.965 9.209 -0.609 1.00 0.00 H new ATOM 112 N VAL A 9 138.962 8.677 -3.686 1.00 0.00 N ATOM 113 CA VAL A 9 138.565 9.190 -5.032 1.00 0.00 C ATOM 114 C VAL A 9 138.313 8.038 -5.984 1.00 0.00 C ATOM 115 O VAL A 9 137.464 8.129 -6.872 1.00 0.00 O ATOM 116 CB VAL A 9 139.559 10.226 -5.710 1.00 0.00 C ATOM 117 CG1 VAL A 9 139.824 11.430 -4.843 1.00 0.00 C ATOM 118 CG2 VAL A 9 140.865 9.596 -6.177 1.00 0.00 C ATOM 0 H VAL A 9 139.887 8.969 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 9 137.654 9.756 -4.838 1.00 0.00 H new ATOM 0 HB VAL A 9 139.036 10.569 -6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 9 140.510 12.104 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.886 11.949 -4.644 1.00 0.00 H new ATOM 0 HG13 VAL A 9 140.268 11.109 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 9 141.496 10.360 -6.630 1.00 0.00 H new ATOM 0 HG22 VAL A 9 141.383 9.157 -5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 9 140.652 8.819 -6.911 1.00 0.00 H new ATOM 128 N LYS A 10 139.030 6.946 -5.763 1.00 0.00 N ATOM 129 CA LYS A 10 138.867 5.721 -6.542 1.00 0.00 C ATOM 130 C LYS A 10 137.427 5.194 -6.454 1.00 0.00 C ATOM 131 O LYS A 10 136.890 4.675 -7.413 1.00 0.00 O ATOM 132 CB LYS A 10 139.838 4.664 -6.035 1.00 0.00 C ATOM 133 CG LYS A 10 141.296 4.998 -6.263 1.00 0.00 C ATOM 134 CD LYS A 10 141.664 4.861 -7.722 1.00 0.00 C ATOM 135 CE LYS A 10 143.133 5.139 -7.958 1.00 0.00 C ATOM 136 NZ LYS A 10 143.462 6.565 -7.951 1.00 0.00 N ATOM 0 H LYS A 10 139.744 6.881 -5.037 1.00 0.00 H new ATOM 0 HA LYS A 10 139.080 5.946 -7.587 1.00 0.00 H new ATOM 0 HB2 LYS A 10 139.673 4.518 -4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 10 139.613 3.716 -6.525 1.00 0.00 H new ATOM 0 HG2 LYS A 10 141.496 6.016 -5.929 1.00 0.00 H new ATOM 0 HG3 LYS A 10 141.922 4.337 -5.663 1.00 0.00 H new ATOM 0 HD2 LYS A 10 141.425 3.854 -8.065 1.00 0.00 H new ATOM 0 HD3 LYS A 10 141.063 5.551 -8.315 1.00 0.00 H new ATOM 0 HE2 LYS A 10 143.719 4.635 -7.190 1.00 0.00 H new ATOM 0 HE3 LYS A 10 143.427 4.710 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 144.459 6.693 -8.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 142.855 7.065 -8.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 143.306 6.952 -6.999 1.00 0.00 H new ATOM 150 N TRP A 11 136.800 5.391 -5.310 1.00 0.00 N ATOM 151 CA TRP A 11 135.426 4.932 -5.073 1.00 0.00 C ATOM 152 C TRP A 11 134.430 5.693 -5.918 1.00 0.00 C ATOM 153 O TRP A 11 133.337 5.218 -6.163 1.00 0.00 O ATOM 154 CB TRP A 11 135.037 5.117 -3.615 1.00 0.00 C ATOM 155 CG TRP A 11 135.849 4.338 -2.648 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.707 3.323 -2.920 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.841 4.492 -1.242 1.00 0.00 C ATOM 158 NE1 TRP A 11 137.264 2.860 -1.764 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.732 3.552 -0.714 1.00 0.00 C ATOM 160 CE3 TRP A 11 135.164 5.346 -0.375 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.961 3.438 0.639 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.390 5.228 0.971 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.280 4.278 1.463 1.00 0.00 C ATOM 0 H TRP A 11 137.219 5.872 -4.514 1.00 0.00 H new ATOM 0 HA TRP A 11 135.402 3.876 -5.342 1.00 0.00 H new ATOM 0 HB2 TRP A 11 135.116 6.175 -3.364 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.990 4.839 -3.495 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.918 2.938 -3.907 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.962 2.120 -1.695 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.475 6.086 -0.756 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.655 2.709 1.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.871 5.880 1.658 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.434 4.206 2.530 1.00 0.00 H new ATOM 174 N GLY A 12 134.835 6.856 -6.387 1.00 0.00 N ATOM 175 CA GLY A 12 133.944 7.716 -7.122 1.00 0.00 C ATOM 176 C GLY A 12 133.829 7.347 -8.578 1.00 0.00 C ATOM 177 O GLY A 12 133.168 8.042 -9.340 1.00 0.00 O ATOM 0 H GLY A 12 135.779 7.224 -6.269 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.955 7.679 -6.665 1.00 0.00 H new ATOM 0 HA3 GLY A 12 134.294 8.745 -7.041 1.00 0.00 H new ATOM 181 N GLU A 13 134.486 6.274 -8.987 1.00 0.00 N ATOM 182 CA GLU A 13 134.375 5.841 -10.357 1.00 0.00 C ATOM 183 C GLU A 13 133.213 4.864 -10.505 1.00 0.00 C ATOM 184 O GLU A 13 132.412 4.983 -11.432 1.00 0.00 O ATOM 185 CB GLU A 13 135.689 5.230 -10.887 1.00 0.00 C ATOM 186 CG GLU A 13 136.094 3.911 -10.253 1.00 0.00 C ATOM 187 CD GLU A 13 137.405 3.412 -10.759 1.00 0.00 C ATOM 188 OE1 GLU A 13 137.489 2.996 -11.931 1.00 0.00 O ATOM 189 OE2 GLU A 13 138.390 3.420 -10.003 1.00 0.00 O ATOM 0 H GLU A 13 135.089 5.701 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 13 134.175 6.722 -10.967 1.00 0.00 H new ATOM 0 HB2 GLU A 13 135.594 5.083 -11.963 1.00 0.00 H new ATOM 0 HB3 GLU A 13 136.493 5.950 -10.734 1.00 0.00 H new ATOM 0 HG2 GLU A 13 136.149 4.033 -9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 13 135.324 3.165 -10.451 1.00 0.00 H new ATOM 196 N SER A 14 133.084 3.955 -9.551 1.00 0.00 N ATOM 197 CA SER A 14 132.091 2.918 -9.607 1.00 0.00 C ATOM 198 C SER A 14 131.662 2.518 -8.198 1.00 0.00 C ATOM 199 O SER A 14 132.521 2.260 -7.318 1.00 0.00 O ATOM 200 CB SER A 14 132.647 1.687 -10.344 1.00 0.00 C ATOM 201 OG SER A 14 133.089 2.009 -11.664 1.00 0.00 O ATOM 0 H SER A 14 133.672 3.924 -8.718 1.00 0.00 H new ATOM 0 HA SER A 14 131.226 3.300 -10.149 1.00 0.00 H new ATOM 0 HB2 SER A 14 133.477 1.268 -9.775 1.00 0.00 H new ATOM 0 HB3 SER A 14 131.877 0.917 -10.397 1.00 0.00 H new ATOM 0 HG SER A 14 133.436 1.202 -12.099 1.00 0.00 H new ATOM 207 N PHE A 15 130.352 2.438 -8.004 1.00 0.00 N ATOM 208 CA PHE A 15 129.734 2.052 -6.735 1.00 0.00 C ATOM 209 C PHE A 15 130.264 0.709 -6.250 1.00 0.00 C ATOM 210 O PHE A 15 130.475 0.521 -5.062 1.00 0.00 O ATOM 211 CB PHE A 15 128.196 2.025 -6.879 1.00 0.00 C ATOM 212 CG PHE A 15 127.433 1.578 -5.650 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.580 2.233 -4.438 1.00 0.00 C ATOM 214 CD2 PHE A 15 126.553 0.511 -5.720 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.868 1.828 -3.325 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.842 0.108 -4.608 1.00 0.00 C ATOM 217 CZ PHE A 15 126.001 0.769 -3.413 1.00 0.00 C ATOM 0 H PHE A 15 129.673 2.643 -8.737 1.00 0.00 H new ATOM 0 HA PHE A 15 129.998 2.796 -5.983 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.857 3.024 -7.152 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.938 1.364 -7.706 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.259 3.070 -4.362 1.00 0.00 H new ATOM 0 HD2 PHE A 15 126.422 -0.012 -6.656 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.994 2.346 -2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 15 125.160 -0.727 -4.676 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.443 0.454 -2.543 1.00 0.00 H new ATOM 227 N ASP A 16 130.489 -0.209 -7.173 1.00 0.00 N ATOM 228 CA ASP A 16 131.049 -1.524 -6.842 1.00 0.00 C ATOM 229 C ASP A 16 132.394 -1.416 -6.116 1.00 0.00 C ATOM 230 O ASP A 16 132.607 -2.092 -5.114 1.00 0.00 O ATOM 231 CB ASP A 16 131.207 -2.393 -8.081 1.00 0.00 C ATOM 232 CG ASP A 16 131.816 -3.746 -7.763 1.00 0.00 C ATOM 233 OD1 ASP A 16 131.075 -4.665 -7.362 1.00 0.00 O ATOM 234 OD2 ASP A 16 133.040 -3.918 -7.909 1.00 0.00 O ATOM 0 H ASP A 16 130.294 -0.075 -8.165 1.00 0.00 H new ATOM 0 HA ASP A 16 130.334 -1.995 -6.168 1.00 0.00 H new ATOM 0 HB2 ASP A 16 130.233 -2.537 -8.548 1.00 0.00 H new ATOM 0 HB3 ASP A 16 131.835 -1.876 -8.807 1.00 0.00 H new ATOM 239 N LYS A 17 133.279 -0.544 -6.596 1.00 0.00 N ATOM 240 CA LYS A 17 134.599 -0.367 -5.978 1.00 0.00 C ATOM 241 C LYS A 17 134.467 0.169 -4.570 1.00 0.00 C ATOM 242 O LYS A 17 135.165 -0.284 -3.643 1.00 0.00 O ATOM 243 CB LYS A 17 135.497 0.546 -6.819 1.00 0.00 C ATOM 244 CG LYS A 17 136.762 0.976 -6.094 1.00 0.00 C ATOM 245 CD LYS A 17 137.784 1.597 -7.025 1.00 0.00 C ATOM 246 CE LYS A 17 138.235 0.599 -8.078 1.00 0.00 C ATOM 247 NZ LYS A 17 139.278 1.144 -8.961 1.00 0.00 N ATOM 0 H LYS A 17 133.110 0.050 -7.408 1.00 0.00 H new ATOM 0 HA LYS A 17 135.072 -1.348 -5.932 1.00 0.00 H new ATOM 0 HB2 LYS A 17 135.771 0.028 -7.738 1.00 0.00 H new ATOM 0 HB3 LYS A 17 134.933 1.433 -7.109 1.00 0.00 H new ATOM 0 HG2 LYS A 17 136.504 1.692 -5.314 1.00 0.00 H new ATOM 0 HG3 LYS A 17 137.205 0.112 -5.599 1.00 0.00 H new ATOM 0 HD2 LYS A 17 137.355 2.474 -7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 17 138.645 1.939 -6.450 1.00 0.00 H new ATOM 0 HE2 LYS A 17 138.612 -0.298 -7.586 1.00 0.00 H new ATOM 0 HE3 LYS A 17 137.377 0.296 -8.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 139.551 0.425 -9.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 138.912 1.984 -9.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 140.109 1.409 -8.394 1.00 0.00 H new ATOM 261 N LEU A 18 133.568 1.103 -4.426 1.00 0.00 N ATOM 262 CA LEU A 18 133.233 1.699 -3.158 1.00 0.00 C ATOM 263 C LEU A 18 132.753 0.633 -2.190 1.00 0.00 C ATOM 264 O LEU A 18 133.286 0.460 -1.094 1.00 0.00 O ATOM 265 CB LEU A 18 132.099 2.698 -3.408 1.00 0.00 C ATOM 266 CG LEU A 18 131.303 3.184 -2.201 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.163 3.987 -1.264 1.00 0.00 C ATOM 268 CD2 LEU A 18 130.131 3.993 -2.670 1.00 0.00 C ATOM 0 H LEU A 18 133.033 1.482 -5.207 1.00 0.00 H new ATOM 0 HA LEU A 18 134.106 2.190 -2.728 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.524 3.571 -3.903 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.400 2.243 -4.110 1.00 0.00 H new ATOM 0 HG LEU A 18 130.944 2.316 -1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.565 4.318 -0.415 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.988 3.370 -0.908 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.560 4.856 -1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.561 4.341 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.486 4.851 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.493 3.376 -3.302 1.00 0.00 H new ATOM 280 N LEU A 19 131.800 -0.104 -2.654 1.00 0.00 N ATOM 281 CA LEU A 19 131.074 -1.058 -1.883 1.00 0.00 C ATOM 282 C LEU A 19 131.914 -2.281 -1.516 1.00 0.00 C ATOM 283 O LEU A 19 131.762 -2.850 -0.434 1.00 0.00 O ATOM 284 CB LEU A 19 129.891 -1.465 -2.707 1.00 0.00 C ATOM 285 CG LEU A 19 128.733 -2.038 -1.975 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.196 -0.988 -0.982 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.690 -2.419 -3.000 1.00 0.00 C ATOM 0 H LEU A 19 131.492 -0.056 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 19 130.774 -0.610 -0.936 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.545 -0.592 -3.260 1.00 0.00 H new ATOM 0 HB3 LEU A 19 130.224 -2.197 -3.443 1.00 0.00 H new ATOM 0 HG LEU A 19 129.014 -2.922 -1.403 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.345 -1.401 -0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.981 -0.721 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.881 -0.099 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.823 -2.845 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 19 127.387 -1.533 -3.557 1.00 0.00 H new ATOM 0 HD23 LEU A 19 128.107 -3.155 -3.687 1.00 0.00 H new ATOM 299 N SER A 20 132.808 -2.670 -2.396 1.00 0.00 N ATOM 300 CA SER A 20 133.649 -3.836 -2.168 1.00 0.00 C ATOM 301 C SER A 20 134.794 -3.522 -1.195 1.00 0.00 C ATOM 302 O SER A 20 135.509 -4.421 -0.733 1.00 0.00 O ATOM 303 CB SER A 20 134.184 -4.357 -3.493 1.00 0.00 C ATOM 304 OG SER A 20 133.108 -4.662 -4.382 1.00 0.00 O ATOM 0 H SER A 20 132.976 -2.196 -3.284 1.00 0.00 H new ATOM 0 HA SER A 20 133.040 -4.613 -1.706 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.838 -3.612 -3.946 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.787 -5.249 -3.323 1.00 0.00 H new ATOM 0 HG SER A 20 132.805 -3.841 -4.822 1.00 0.00 H new ATOM 310 N HIS A 21 134.928 -2.261 -0.860 1.00 0.00 N ATOM 311 CA HIS A 21 135.929 -1.817 0.061 1.00 0.00 C ATOM 312 C HIS A 21 135.164 -1.681 1.343 1.00 0.00 C ATOM 313 O HIS A 21 134.211 -0.920 1.376 1.00 0.00 O ATOM 314 CB HIS A 21 136.447 -0.426 -0.369 1.00 0.00 C ATOM 315 CG HIS A 21 137.891 -0.135 -0.062 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.333 0.494 1.086 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.996 -0.329 -0.816 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.631 0.678 1.012 1.00 0.00 C ATOM 319 NE2 HIS A 21 140.058 0.184 -0.125 1.00 0.00 N ATOM 0 H HIS A 21 134.338 -1.514 -1.225 1.00 0.00 H new ATOM 0 HA HIS A 21 136.788 -2.485 0.127 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.296 -0.321 -1.443 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.833 0.334 0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 21 139.033 -0.802 -1.786 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.244 1.156 1.762 1.00 0.00 H new ATOM 0 HE2 HIS A 21 141.027 0.183 -0.443 1.00 0.00 H new ATOM 328 N ARG A 22 135.514 -2.410 2.380 1.00 0.00 N ATOM 329 CA ARG A 22 134.698 -2.370 3.612 1.00 0.00 C ATOM 330 C ARG A 22 134.623 -0.975 4.203 1.00 0.00 C ATOM 331 O ARG A 22 133.637 -0.606 4.786 1.00 0.00 O ATOM 332 CB ARG A 22 135.091 -3.415 4.687 1.00 0.00 C ATOM 333 CG ARG A 22 136.444 -3.239 5.374 1.00 0.00 C ATOM 334 CD ARG A 22 137.620 -3.545 4.468 1.00 0.00 C ATOM 335 NE ARG A 22 137.572 -4.912 3.924 1.00 0.00 N ATOM 336 CZ ARG A 22 138.531 -5.841 4.072 1.00 0.00 C ATOM 337 NH1 ARG A 22 139.639 -5.562 4.760 1.00 0.00 N ATOM 338 NH2 ARG A 22 138.377 -7.042 3.515 1.00 0.00 N ATOM 0 H ARG A 22 136.328 -3.024 2.415 1.00 0.00 H new ATOM 0 HA ARG A 22 133.700 -2.658 3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 22 134.319 -3.414 5.457 1.00 0.00 H new ATOM 0 HB3 ARG A 22 135.075 -4.400 4.221 1.00 0.00 H new ATOM 0 HG2 ARG A 22 136.530 -2.214 5.736 1.00 0.00 H new ATOM 0 HG3 ARG A 22 136.488 -3.890 6.247 1.00 0.00 H new ATOM 0 HD2 ARG A 22 137.636 -2.830 3.645 1.00 0.00 H new ATOM 0 HD3 ARG A 22 138.548 -3.411 5.024 1.00 0.00 H new ATOM 0 HE ARG A 22 136.743 -5.175 3.391 1.00 0.00 H new ATOM 0 HH11 ARG A 22 139.762 -4.639 5.177 1.00 0.00 H new ATOM 0 HH12 ARG A 22 140.364 -6.271 4.869 1.00 0.00 H new ATOM 0 HH21 ARG A 22 137.534 -7.252 2.980 1.00 0.00 H new ATOM 0 HH22 ARG A 22 139.102 -7.751 3.624 1.00 0.00 H new ATOM 352 N ASP A 23 135.656 -0.191 3.986 1.00 0.00 N ATOM 353 CA ASP A 23 135.696 1.198 4.455 1.00 0.00 C ATOM 354 C ASP A 23 134.704 2.035 3.658 1.00 0.00 C ATOM 355 O ASP A 23 134.189 3.027 4.139 1.00 0.00 O ATOM 356 CB ASP A 23 137.093 1.784 4.257 1.00 0.00 C ATOM 357 CG ASP A 23 138.173 0.860 4.719 1.00 0.00 C ATOM 358 OD1 ASP A 23 138.571 0.003 3.915 1.00 0.00 O ATOM 359 OD2 ASP A 23 138.621 0.955 5.877 1.00 0.00 O ATOM 0 H ASP A 23 136.493 -0.486 3.483 1.00 0.00 H new ATOM 0 HA ASP A 23 135.439 1.213 5.514 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.241 2.012 3.201 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.168 2.726 4.800 1.00 0.00 H new ATOM 364 N GLY A 24 134.430 1.602 2.438 1.00 0.00 N ATOM 365 CA GLY A 24 133.531 2.321 1.570 1.00 0.00 C ATOM 366 C GLY A 24 132.130 1.894 1.790 1.00 0.00 C ATOM 367 O GLY A 24 131.227 2.700 1.742 1.00 0.00 O ATOM 0 H GLY A 24 134.822 0.753 2.032 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.622 3.392 1.752 1.00 0.00 H new ATOM 0 HA3 GLY A 24 133.809 2.150 0.530 1.00 0.00 H new ATOM 371 N LEU A 25 131.952 0.615 2.024 1.00 0.00 N ATOM 372 CA LEU A 25 130.676 0.075 2.438 1.00 0.00 C ATOM 373 C LEU A 25 130.246 0.768 3.730 1.00 0.00 C ATOM 374 O LEU A 25 129.089 1.147 3.907 1.00 0.00 O ATOM 375 CB LEU A 25 130.798 -1.469 2.566 1.00 0.00 C ATOM 376 CG LEU A 25 130.051 -2.188 3.706 1.00 0.00 C ATOM 377 CD1 LEU A 25 129.813 -3.635 3.303 1.00 0.00 C ATOM 378 CD2 LEU A 25 130.912 -2.180 4.981 1.00 0.00 C ATOM 0 H LEU A 25 132.690 -0.083 1.933 1.00 0.00 H new ATOM 0 HA LEU A 25 129.896 0.266 1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 25 130.460 -1.904 1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 25 131.857 -1.708 2.665 1.00 0.00 H new ATOM 0 HG LEU A 25 129.106 -1.678 3.893 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.285 -4.153 4.103 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.214 -3.665 2.393 1.00 0.00 H new ATOM 0 HD13 LEU A 25 130.770 -4.125 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 25 130.379 -2.690 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 25 131.854 -2.694 4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 25 131.115 -1.151 5.277 1.00 0.00 H new ATOM 390 N GLU A 26 131.228 0.973 4.581 1.00 0.00 N ATOM 391 CA GLU A 26 131.091 1.687 5.809 1.00 0.00 C ATOM 392 C GLU A 26 130.750 3.154 5.524 1.00 0.00 C ATOM 393 O GLU A 26 129.811 3.687 6.091 1.00 0.00 O ATOM 394 CB GLU A 26 132.401 1.534 6.577 1.00 0.00 C ATOM 395 CG GLU A 26 132.558 2.378 7.843 1.00 0.00 C ATOM 396 CD GLU A 26 131.655 1.982 8.974 1.00 0.00 C ATOM 397 OE1 GLU A 26 130.445 2.171 8.882 1.00 0.00 O ATOM 398 OE2 GLU A 26 132.162 1.533 10.029 1.00 0.00 O ATOM 0 H GLU A 26 132.175 0.630 4.420 1.00 0.00 H new ATOM 0 HA GLU A 26 130.276 1.290 6.414 1.00 0.00 H new ATOM 0 HB2 GLU A 26 132.514 0.485 6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.222 1.777 5.902 1.00 0.00 H new ATOM 0 HG2 GLU A 26 133.592 2.313 8.181 1.00 0.00 H new ATOM 0 HG3 GLU A 26 132.369 3.422 7.593 1.00 0.00 H new ATOM 405 N ALA A 27 131.478 3.786 4.597 1.00 0.00 N ATOM 406 CA ALA A 27 131.207 5.182 4.251 1.00 0.00 C ATOM 407 C ALA A 27 129.805 5.327 3.681 1.00 0.00 C ATOM 408 O ALA A 27 129.054 6.237 4.059 1.00 0.00 O ATOM 409 CB ALA A 27 132.219 5.708 3.246 1.00 0.00 C ATOM 0 H ALA A 27 132.248 3.360 4.081 1.00 0.00 H new ATOM 0 HA ALA A 27 131.289 5.768 5.166 1.00 0.00 H new ATOM 0 HB1 ALA A 27 131.990 6.747 3.009 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.221 5.644 3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.172 5.110 2.336 1.00 0.00 H new ATOM 415 N PHE A 28 129.445 4.415 2.804 1.00 0.00 N ATOM 416 CA PHE A 28 128.172 4.448 2.150 1.00 0.00 C ATOM 417 C PHE A 28 127.046 4.216 3.139 1.00 0.00 C ATOM 418 O PHE A 28 126.045 4.921 3.092 1.00 0.00 O ATOM 419 CB PHE A 28 128.107 3.451 0.986 1.00 0.00 C ATOM 420 CG PHE A 28 126.857 3.587 0.162 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.745 4.598 -0.777 1.00 0.00 C ATOM 422 CD2 PHE A 28 125.798 2.716 0.326 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.602 4.740 -1.531 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.654 2.852 -0.425 1.00 0.00 C ATOM 425 CZ PHE A 28 124.555 3.865 -1.355 1.00 0.00 C ATOM 0 H PHE A 28 130.036 3.630 2.529 1.00 0.00 H new ATOM 0 HA PHE A 28 128.046 5.445 1.727 1.00 0.00 H new ATOM 0 HB2 PHE A 28 128.976 3.595 0.344 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.166 2.437 1.381 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.566 5.285 -0.920 1.00 0.00 H new ATOM 0 HD2 PHE A 28 125.869 1.919 1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.527 5.535 -2.258 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.833 2.165 -0.286 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.657 3.972 -1.945 1.00 0.00 H new ATOM 435 N THR A 29 127.214 3.264 4.060 1.00 0.00 N ATOM 436 CA THR A 29 126.177 3.016 5.033 1.00 0.00 C ATOM 437 C THR A 29 126.022 4.234 5.962 1.00 0.00 C ATOM 438 O THR A 29 124.941 4.549 6.353 1.00 0.00 O ATOM 439 CB THR A 29 126.344 1.661 5.835 1.00 0.00 C ATOM 440 OG1 THR A 29 125.151 1.366 6.603 1.00 0.00 O ATOM 441 CG2 THR A 29 127.524 1.710 6.789 1.00 0.00 C ATOM 0 H THR A 29 128.040 2.672 4.143 1.00 0.00 H new ATOM 0 HA THR A 29 125.251 2.879 4.475 1.00 0.00 H new ATOM 0 HB THR A 29 126.516 0.882 5.093 1.00 0.00 H new ATOM 0 HG1 THR A 29 124.990 0.399 6.599 1.00 0.00 H new ATOM 0 HG21 THR A 29 127.603 0.761 7.319 1.00 0.00 H new ATOM 0 HG22 THR A 29 128.440 1.888 6.226 1.00 0.00 H new ATOM 0 HG23 THR A 29 127.377 2.516 7.508 1.00 0.00 H new ATOM 449 N ARG A 30 127.115 4.970 6.231 1.00 0.00 N ATOM 450 CA ARG A 30 127.043 6.194 7.067 1.00 0.00 C ATOM 451 C ARG A 30 126.115 7.213 6.434 1.00 0.00 C ATOM 452 O ARG A 30 125.315 7.870 7.116 1.00 0.00 O ATOM 453 CB ARG A 30 128.431 6.812 7.281 1.00 0.00 C ATOM 454 CG ARG A 30 129.380 5.904 8.014 1.00 0.00 C ATOM 455 CD ARG A 30 128.815 5.527 9.350 1.00 0.00 C ATOM 456 NE ARG A 30 129.561 4.444 9.976 1.00 0.00 N ATOM 457 CZ ARG A 30 129.734 4.279 11.282 1.00 0.00 C ATOM 458 NH1 ARG A 30 129.133 5.087 12.146 1.00 0.00 N ATOM 459 NH2 ARG A 30 130.480 3.271 11.719 1.00 0.00 N ATOM 0 H ARG A 30 128.050 4.747 5.889 1.00 0.00 H new ATOM 0 HA ARG A 30 126.648 5.905 8.041 1.00 0.00 H new ATOM 0 HB2 ARG A 30 128.860 7.069 6.312 1.00 0.00 H new ATOM 0 HB3 ARG A 30 128.325 7.742 7.839 1.00 0.00 H new ATOM 0 HG2 ARG A 30 129.564 5.007 7.423 1.00 0.00 H new ATOM 0 HG3 ARG A 30 130.341 6.401 8.146 1.00 0.00 H new ATOM 0 HD2 ARG A 30 128.823 6.398 10.005 1.00 0.00 H new ATOM 0 HD3 ARG A 30 127.774 5.228 9.231 1.00 0.00 H new ATOM 0 HE ARG A 30 129.987 3.753 9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 30 128.534 5.840 11.808 1.00 0.00 H new ATOM 0 HH12 ARG A 30 129.270 4.955 13.148 1.00 0.00 H new ATOM 0 HH21 ARG A 30 130.914 2.632 11.053 1.00 0.00 H new ATOM 0 HH22 ARG A 30 130.619 3.136 12.720 1.00 0.00 H new ATOM 473 N PHE A 31 126.212 7.315 5.138 1.00 0.00 N ATOM 474 CA PHE A 31 125.351 8.161 4.361 1.00 0.00 C ATOM 475 C PHE A 31 123.930 7.574 4.314 1.00 0.00 C ATOM 476 O PHE A 31 122.936 8.266 4.519 1.00 0.00 O ATOM 477 CB PHE A 31 125.928 8.304 2.946 1.00 0.00 C ATOM 478 CG PHE A 31 124.936 8.801 1.963 1.00 0.00 C ATOM 479 CD1 PHE A 31 124.581 10.127 1.930 1.00 0.00 C ATOM 480 CD2 PHE A 31 124.317 7.913 1.098 1.00 0.00 C ATOM 481 CE1 PHE A 31 123.635 10.562 1.049 1.00 0.00 C ATOM 482 CE2 PHE A 31 123.370 8.342 0.228 1.00 0.00 C ATOM 483 CZ PHE A 31 123.027 9.662 0.201 1.00 0.00 C ATOM 0 H PHE A 31 126.901 6.806 4.584 1.00 0.00 H new ATOM 0 HA PHE A 31 125.293 9.147 4.823 1.00 0.00 H new ATOM 0 HB2 PHE A 31 126.777 8.987 2.973 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.307 7.337 2.615 1.00 0.00 H new ATOM 0 HD1 PHE A 31 125.052 10.828 2.604 1.00 0.00 H new ATOM 0 HD2 PHE A 31 124.592 6.869 1.117 1.00 0.00 H new ATOM 0 HE1 PHE A 31 123.364 11.607 1.016 1.00 0.00 H new ATOM 0 HE2 PHE A 31 122.890 7.642 -0.440 1.00 0.00 H new ATOM 0 HZ PHE A 31 122.272 10.005 -0.491 1.00 0.00 H new ATOM 493 N LEU A 32 123.865 6.305 4.066 1.00 0.00 N ATOM 494 CA LEU A 32 122.627 5.569 3.948 1.00 0.00 C ATOM 495 C LEU A 32 121.817 5.679 5.267 1.00 0.00 C ATOM 496 O LEU A 32 120.591 5.745 5.254 1.00 0.00 O ATOM 497 CB LEU A 32 123.010 4.133 3.644 1.00 0.00 C ATOM 498 CG LEU A 32 122.014 3.263 2.931 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.646 3.841 1.575 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.612 1.912 2.742 1.00 0.00 C ATOM 0 H LEU A 32 124.694 5.725 3.934 1.00 0.00 H new ATOM 0 HA LEU A 32 121.991 5.966 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.922 4.152 3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.258 3.649 4.588 1.00 0.00 H new ATOM 0 HG LEU A 32 121.107 3.205 3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.924 3.188 1.085 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.209 4.831 1.708 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.541 3.920 0.958 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.900 1.268 2.225 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.522 1.997 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.852 1.481 3.714 1.00 0.00 H new ATOM 512 N LYS A 33 122.531 5.739 6.384 1.00 0.00 N ATOM 513 CA LYS A 33 121.943 5.908 7.714 1.00 0.00 C ATOM 514 C LYS A 33 121.385 7.314 7.914 1.00 0.00 C ATOM 515 O LYS A 33 120.281 7.469 8.437 1.00 0.00 O ATOM 516 CB LYS A 33 122.985 5.630 8.812 1.00 0.00 C ATOM 517 CG LYS A 33 123.484 4.207 8.853 1.00 0.00 C ATOM 518 CD LYS A 33 124.627 4.048 9.830 1.00 0.00 C ATOM 519 CE LYS A 33 125.252 2.671 9.716 1.00 0.00 C ATOM 520 NZ LYS A 33 124.311 1.587 10.055 1.00 0.00 N ATOM 0 H LYS A 33 123.549 5.671 6.396 1.00 0.00 H new ATOM 0 HA LYS A 33 121.125 5.191 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 33 123.835 6.296 8.666 1.00 0.00 H new ATOM 0 HB3 LYS A 33 122.549 5.877 9.780 1.00 0.00 H new ATOM 0 HG2 LYS A 33 122.668 3.542 9.135 1.00 0.00 H new ATOM 0 HG3 LYS A 33 123.810 3.906 7.858 1.00 0.00 H new ATOM 0 HD2 LYS A 33 125.382 4.811 9.639 1.00 0.00 H new ATOM 0 HD3 LYS A 33 124.266 4.204 10.846 1.00 0.00 H new ATOM 0 HE2 LYS A 33 125.616 2.525 8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 33 126.118 2.614 10.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 124.731 0.670 9.800 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 124.113 1.605 11.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 123.424 1.720 9.528 1.00 0.00 H new ATOM 534 N THR A 34 122.120 8.337 7.461 1.00 0.00 N ATOM 535 CA THR A 34 121.730 9.716 7.722 1.00 0.00 C ATOM 536 C THR A 34 120.391 10.097 7.062 1.00 0.00 C ATOM 537 O THR A 34 119.651 10.920 7.597 1.00 0.00 O ATOM 538 CB THR A 34 122.869 10.774 7.425 1.00 0.00 C ATOM 539 OG1 THR A 34 122.451 12.082 7.827 1.00 0.00 O ATOM 540 CG2 THR A 34 123.252 10.825 5.963 1.00 0.00 C ATOM 0 H THR A 34 122.977 8.232 6.919 1.00 0.00 H new ATOM 0 HA THR A 34 121.570 9.758 8.799 1.00 0.00 H new ATOM 0 HB THR A 34 123.740 10.453 7.997 1.00 0.00 H new ATOM 0 HG1 THR A 34 123.165 12.726 7.639 1.00 0.00 H new ATOM 0 HG21 THR A 34 124.037 11.567 5.818 1.00 0.00 H new ATOM 0 HG22 THR A 34 123.615 9.847 5.648 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.380 11.098 5.368 1.00 0.00 H new ATOM 548 N GLU A 35 120.062 9.483 5.945 1.00 0.00 N ATOM 549 CA GLU A 35 118.782 9.758 5.317 1.00 0.00 C ATOM 550 C GLU A 35 117.826 8.584 5.452 1.00 0.00 C ATOM 551 O GLU A 35 116.814 8.519 4.761 1.00 0.00 O ATOM 552 CB GLU A 35 118.937 10.232 3.867 1.00 0.00 C ATOM 553 CG GLU A 35 119.736 9.328 2.942 1.00 0.00 C ATOM 554 CD GLU A 35 119.877 9.967 1.568 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.502 11.038 1.474 1.00 0.00 O ATOM 556 OE2 GLU A 35 119.349 9.422 0.563 1.00 0.00 O ATOM 0 H GLU A 35 120.647 8.803 5.459 1.00 0.00 H new ATOM 0 HA GLU A 35 118.331 10.590 5.858 1.00 0.00 H new ATOM 0 HB2 GLU A 35 117.942 10.362 3.442 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.410 11.214 3.877 1.00 0.00 H new ATOM 0 HG2 GLU A 35 120.723 9.143 3.367 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.241 8.361 2.851 1.00 0.00 H new ATOM 563 N PHE A 36 118.145 7.691 6.392 1.00 0.00 N ATOM 564 CA PHE A 36 117.334 6.509 6.722 1.00 0.00 C ATOM 565 C PHE A 36 117.020 5.654 5.508 1.00 0.00 C ATOM 566 O PHE A 36 115.939 5.740 4.928 1.00 0.00 O ATOM 567 CB PHE A 36 116.051 6.880 7.495 1.00 0.00 C ATOM 568 CG PHE A 36 116.303 7.443 8.869 1.00 0.00 C ATOM 569 CD1 PHE A 36 116.693 8.763 9.041 1.00 0.00 C ATOM 570 CD2 PHE A 36 116.143 6.649 9.991 1.00 0.00 C ATOM 571 CE1 PHE A 36 116.921 9.272 10.301 1.00 0.00 C ATOM 572 CE2 PHE A 36 116.368 7.154 11.255 1.00 0.00 C ATOM 573 CZ PHE A 36 116.756 8.467 11.410 1.00 0.00 C ATOM 0 H PHE A 36 118.990 7.768 6.958 1.00 0.00 H new ATOM 0 HA PHE A 36 117.950 5.901 7.384 1.00 0.00 H new ATOM 0 HB2 PHE A 36 115.487 7.609 6.913 1.00 0.00 H new ATOM 0 HB3 PHE A 36 115.425 5.992 7.587 1.00 0.00 H new ATOM 0 HD1 PHE A 36 116.819 9.399 8.177 1.00 0.00 H new ATOM 0 HD2 PHE A 36 115.838 5.620 9.876 1.00 0.00 H new ATOM 0 HE1 PHE A 36 117.229 10.300 10.421 1.00 0.00 H new ATOM 0 HE2 PHE A 36 116.240 6.522 12.121 1.00 0.00 H new ATOM 0 HZ PHE A 36 116.931 8.866 12.398 1.00 0.00 H new ATOM 583 N SER A 37 118.000 4.917 5.078 1.00 0.00 N ATOM 584 CA SER A 37 117.856 4.026 3.958 1.00 0.00 C ATOM 585 C SER A 37 118.850 2.870 4.046 1.00 0.00 C ATOM 586 O SER A 37 119.152 2.248 3.062 1.00 0.00 O ATOM 587 CB SER A 37 118.073 4.835 2.680 1.00 0.00 C ATOM 588 OG SER A 37 119.193 5.725 2.801 1.00 0.00 O ATOM 0 H SER A 37 118.931 4.915 5.496 1.00 0.00 H new ATOM 0 HA SER A 37 116.858 3.588 3.958 1.00 0.00 H new ATOM 0 HB2 SER A 37 118.236 4.157 1.843 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.174 5.409 2.455 1.00 0.00 H new ATOM 0 HG SER A 37 119.682 5.526 3.627 1.00 0.00 H new ATOM 594 N GLU A 38 119.270 2.534 5.253 1.00 0.00 N ATOM 595 CA GLU A 38 120.366 1.577 5.454 1.00 0.00 C ATOM 596 C GLU A 38 119.897 0.115 5.351 1.00 0.00 C ATOM 597 O GLU A 38 120.717 -0.833 5.349 1.00 0.00 O ATOM 598 CB GLU A 38 121.045 1.844 6.795 1.00 0.00 C ATOM 599 CG GLU A 38 120.118 1.717 7.989 1.00 0.00 C ATOM 600 CD GLU A 38 120.784 2.084 9.278 1.00 0.00 C ATOM 601 OE1 GLU A 38 121.678 1.347 9.732 1.00 0.00 O ATOM 602 OE2 GLU A 38 120.446 3.118 9.852 1.00 0.00 O ATOM 0 H GLU A 38 118.874 2.906 6.116 1.00 0.00 H new ATOM 0 HA GLU A 38 121.088 1.724 4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 38 121.875 1.148 6.916 1.00 0.00 H new ATOM 0 HB3 GLU A 38 121.470 2.848 6.783 1.00 0.00 H new ATOM 0 HG2 GLU A 38 119.249 2.357 7.839 1.00 0.00 H new ATOM 0 HG3 GLU A 38 119.752 0.692 8.053 1.00 0.00 H new ATOM 609 N GLU A 39 118.586 -0.062 5.242 1.00 0.00 N ATOM 610 CA GLU A 39 117.984 -1.380 5.164 1.00 0.00 C ATOM 611 C GLU A 39 118.451 -2.190 3.968 1.00 0.00 C ATOM 612 O GLU A 39 118.599 -3.405 4.056 1.00 0.00 O ATOM 613 CB GLU A 39 116.433 -1.328 5.287 1.00 0.00 C ATOM 614 CG GLU A 39 115.686 -0.212 4.513 1.00 0.00 C ATOM 615 CD GLU A 39 115.727 -0.287 2.990 1.00 0.00 C ATOM 616 OE1 GLU A 39 115.021 -1.140 2.385 1.00 0.00 O ATOM 617 OE2 GLU A 39 116.373 0.566 2.378 1.00 0.00 O ATOM 0 H GLU A 39 117.914 0.705 5.206 1.00 0.00 H new ATOM 0 HA GLU A 39 118.348 -1.923 6.036 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.038 -2.288 4.955 1.00 0.00 H new ATOM 0 HB3 GLU A 39 116.183 -1.228 6.343 1.00 0.00 H new ATOM 0 HG2 GLU A 39 114.642 -0.222 4.826 1.00 0.00 H new ATOM 0 HG3 GLU A 39 116.101 0.749 4.817 1.00 0.00 H new ATOM 624 N ASN A 40 118.732 -1.513 2.898 1.00 0.00 N ATOM 625 CA ASN A 40 119.129 -2.143 1.661 1.00 0.00 C ATOM 626 C ASN A 40 120.587 -2.685 1.665 1.00 0.00 C ATOM 627 O ASN A 40 120.861 -3.821 1.185 1.00 0.00 O ATOM 628 CB ASN A 40 118.837 -1.205 0.474 1.00 0.00 C ATOM 629 CG ASN A 40 119.397 0.188 0.607 1.00 0.00 C ATOM 630 OD1 ASN A 40 120.402 0.405 1.230 1.00 0.00 O ATOM 631 ND2 ASN A 40 118.708 1.138 0.032 1.00 0.00 N ATOM 0 H ASN A 40 118.694 -0.495 2.851 1.00 0.00 H new ATOM 0 HA ASN A 40 118.520 -3.040 1.547 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.239 -1.656 -0.433 1.00 0.00 H new ATOM 0 HB3 ASN A 40 117.757 -1.135 0.344 1.00 0.00 H new ATOM 0 HD21 ASN A 40 119.018 2.107 0.103 1.00 0.00 H new ATOM 0 HD22 ASN A 40 117.860 0.910 -0.488 1.00 0.00 H new ATOM 638 N ILE A 41 121.502 -1.932 2.215 1.00 0.00 N ATOM 639 CA ILE A 41 122.893 -2.365 2.241 1.00 0.00 C ATOM 640 C ILE A 41 123.057 -3.570 3.180 1.00 0.00 C ATOM 641 O ILE A 41 123.707 -4.570 2.840 1.00 0.00 O ATOM 642 CB ILE A 41 123.885 -1.207 2.605 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.286 -1.515 2.041 1.00 0.00 C ATOM 644 CG2 ILE A 41 123.919 -0.908 4.128 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.316 -0.424 2.233 1.00 0.00 C ATOM 0 H ILE A 41 121.324 -1.026 2.648 1.00 0.00 H new ATOM 0 HA ILE A 41 123.157 -2.673 1.229 1.00 0.00 H new ATOM 0 HB ILE A 41 123.520 -0.293 2.136 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.656 -2.427 2.510 1.00 0.00 H new ATOM 0 HG13 ILE A 41 125.193 -1.720 0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 41 124.622 -0.098 4.324 1.00 0.00 H new ATOM 0 HG22 ILE A 41 122.924 -0.614 4.463 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.235 -1.801 4.667 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.266 -0.740 1.801 1.00 0.00 H new ATOM 0 HD12 ILE A 41 125.978 0.487 1.739 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.448 -0.231 3.298 1.00 0.00 H new ATOM 657 N GLU A 42 122.389 -3.509 4.315 1.00 0.00 N ATOM 658 CA GLU A 42 122.440 -4.576 5.280 1.00 0.00 C ATOM 659 C GLU A 42 121.600 -5.773 4.822 1.00 0.00 C ATOM 660 O GLU A 42 121.746 -6.891 5.333 1.00 0.00 O ATOM 661 CB GLU A 42 122.008 -4.064 6.633 1.00 0.00 C ATOM 662 CG GLU A 42 123.134 -3.543 7.539 1.00 0.00 C ATOM 663 CD GLU A 42 124.096 -2.556 6.986 1.00 0.00 C ATOM 664 OE1 GLU A 42 125.122 -2.960 6.447 1.00 0.00 O ATOM 665 OE2 GLU A 42 123.890 -1.337 7.193 1.00 0.00 O ATOM 0 H GLU A 42 121.801 -2.722 4.588 1.00 0.00 H new ATOM 0 HA GLU A 42 123.467 -4.929 5.366 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.286 -3.261 6.484 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.488 -4.867 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 42 122.670 -3.096 8.418 1.00 0.00 H new ATOM 0 HG3 GLU A 42 123.706 -4.404 7.884 1.00 0.00 H new ATOM 672 N PHE A 43 120.723 -5.516 3.870 1.00 0.00 N ATOM 673 CA PHE A 43 119.922 -6.530 3.209 1.00 0.00 C ATOM 674 C PHE A 43 120.812 -7.527 2.487 1.00 0.00 C ATOM 675 O PHE A 43 120.809 -8.728 2.815 1.00 0.00 O ATOM 676 CB PHE A 43 118.972 -5.843 2.239 1.00 0.00 C ATOM 677 CG PHE A 43 118.224 -6.708 1.294 1.00 0.00 C ATOM 678 CD1 PHE A 43 117.185 -7.467 1.727 1.00 0.00 C ATOM 679 CD2 PHE A 43 118.540 -6.713 -0.048 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.458 -8.227 0.852 1.00 0.00 C ATOM 681 CE2 PHE A 43 117.816 -7.467 -0.935 1.00 0.00 C ATOM 682 CZ PHE A 43 116.767 -8.223 -0.485 1.00 0.00 C ATOM 0 H PHE A 43 120.543 -4.573 3.526 1.00 0.00 H new ATOM 0 HA PHE A 43 119.345 -7.085 3.948 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.248 -5.274 2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.547 -5.124 1.656 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.929 -7.471 2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.367 -6.116 -0.404 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.639 -8.831 1.214 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.072 -7.465 -1.984 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.186 -8.813 -1.178 1.00 0.00 H new ATOM 692 N TRP A 44 121.618 -7.058 1.530 1.00 0.00 N ATOM 693 CA TRP A 44 122.475 -8.023 0.863 1.00 0.00 C ATOM 694 C TRP A 44 123.626 -8.504 1.705 1.00 0.00 C ATOM 695 O TRP A 44 124.243 -9.529 1.404 1.00 0.00 O ATOM 696 CB TRP A 44 122.841 -7.745 -0.609 1.00 0.00 C ATOM 697 CG TRP A 44 123.368 -6.416 -0.953 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.827 -5.565 -1.856 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.537 -5.781 -0.443 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.587 -4.453 -1.961 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.637 -4.550 -1.082 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.506 -6.133 0.497 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.662 -3.672 -0.813 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.523 -5.258 0.760 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.595 -4.041 0.111 1.00 0.00 C ATOM 0 H TRP A 44 121.691 -6.089 1.221 1.00 0.00 H new ATOM 0 HA TRP A 44 121.805 -8.876 0.759 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.580 -8.486 -0.914 1.00 0.00 H new ATOM 0 HB3 TRP A 44 121.950 -7.916 -1.212 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.919 -5.748 -2.412 1.00 0.00 H new ATOM 0 HE1 TRP A 44 123.410 -3.670 -2.590 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.454 -7.082 1.009 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.726 -2.720 -1.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.279 -5.522 1.484 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.407 -3.367 0.340 1.00 0.00 H new ATOM 716 N ILE A 45 123.907 -7.773 2.761 1.00 0.00 N ATOM 717 CA ILE A 45 124.861 -8.209 3.759 1.00 0.00 C ATOM 718 C ILE A 45 124.352 -9.468 4.464 1.00 0.00 C ATOM 719 O ILE A 45 125.115 -10.408 4.700 1.00 0.00 O ATOM 720 CB ILE A 45 125.222 -7.072 4.758 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.275 -6.159 4.120 1.00 0.00 C ATOM 722 CG2 ILE A 45 125.664 -7.597 6.117 1.00 0.00 C ATOM 723 CD1 ILE A 45 126.772 -5.050 5.007 1.00 0.00 C ATOM 0 H ILE A 45 123.484 -6.865 2.952 1.00 0.00 H new ATOM 0 HA ILE A 45 125.792 -8.465 3.252 1.00 0.00 H new ATOM 0 HB ILE A 45 124.321 -6.492 4.958 1.00 0.00 H new ATOM 0 HG12 ILE A 45 127.125 -6.768 3.813 1.00 0.00 H new ATOM 0 HG13 ILE A 45 125.854 -5.720 3.215 1.00 0.00 H new ATOM 0 HG21 ILE A 45 125.903 -6.758 6.771 1.00 0.00 H new ATOM 0 HG22 ILE A 45 124.859 -8.185 6.559 1.00 0.00 H new ATOM 0 HG23 ILE A 45 126.547 -8.225 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.513 -4.458 4.469 1.00 0.00 H new ATOM 0 HD12 ILE A 45 125.937 -4.411 5.294 1.00 0.00 H new ATOM 0 HD13 ILE A 45 127.227 -5.476 5.901 1.00 0.00 H new ATOM 735 N ALA A 46 123.055 -9.508 4.737 1.00 0.00 N ATOM 736 CA ALA A 46 122.441 -10.695 5.310 1.00 0.00 C ATOM 737 C ALA A 46 122.644 -11.851 4.356 1.00 0.00 C ATOM 738 O ALA A 46 123.016 -12.949 4.766 1.00 0.00 O ATOM 739 CB ALA A 46 120.955 -10.482 5.547 1.00 0.00 C ATOM 0 H ALA A 46 122.411 -8.735 4.571 1.00 0.00 H new ATOM 0 HA ALA A 46 122.907 -10.908 6.272 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.522 -11.386 5.976 1.00 0.00 H new ATOM 0 HB2 ALA A 46 120.812 -9.649 6.235 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.464 -10.258 4.600 1.00 0.00 H new ATOM 745 N CYS A 47 122.445 -11.575 3.070 1.00 0.00 N ATOM 746 CA CYS A 47 122.612 -12.578 2.032 1.00 0.00 C ATOM 747 C CYS A 47 124.076 -13.024 1.883 1.00 0.00 C ATOM 748 O CYS A 47 124.338 -14.174 1.530 1.00 0.00 O ATOM 749 CB CYS A 47 122.066 -12.081 0.692 1.00 0.00 C ATOM 750 SG CYS A 47 122.205 -13.266 -0.681 1.00 0.00 S ATOM 0 H CYS A 47 122.166 -10.657 2.724 1.00 0.00 H new ATOM 0 HA CYS A 47 122.035 -13.449 2.342 1.00 0.00 H new ATOM 0 HB2 CYS A 47 121.016 -11.817 0.820 1.00 0.00 H new ATOM 0 HB3 CYS A 47 122.593 -11.167 0.418 1.00 0.00 H new ATOM 0 HG CYS A 47 123.119 -14.148 -0.402 1.00 0.00 H new ATOM 756 N GLU A 48 125.032 -12.148 2.152 1.00 0.00 N ATOM 757 CA GLU A 48 126.412 -12.549 2.018 1.00 0.00 C ATOM 758 C GLU A 48 126.841 -13.415 3.198 1.00 0.00 C ATOM 759 O GLU A 48 127.554 -14.401 3.026 1.00 0.00 O ATOM 760 CB GLU A 48 127.375 -11.367 1.658 1.00 0.00 C ATOM 761 CG GLU A 48 127.575 -10.252 2.684 1.00 0.00 C ATOM 762 CD GLU A 48 128.586 -10.598 3.748 1.00 0.00 C ATOM 763 OE1 GLU A 48 129.802 -10.602 3.448 1.00 0.00 O ATOM 764 OE2 GLU A 48 128.211 -10.896 4.870 1.00 0.00 O ATOM 0 H GLU A 48 124.880 -11.186 2.455 1.00 0.00 H new ATOM 0 HA GLU A 48 126.495 -13.190 1.140 1.00 0.00 H new ATOM 0 HB2 GLU A 48 128.354 -11.792 1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 48 127.010 -10.910 0.738 1.00 0.00 H new ATOM 0 HG2 GLU A 48 127.895 -9.346 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 48 126.620 -10.028 3.159 1.00 0.00 H new ATOM 771 N ASP A 49 126.329 -13.084 4.374 1.00 0.00 N ATOM 772 CA ASP A 49 126.528 -13.886 5.592 1.00 0.00 C ATOM 773 C ASP A 49 125.861 -15.251 5.401 1.00 0.00 C ATOM 774 O ASP A 49 126.317 -16.295 5.893 1.00 0.00 O ATOM 775 CB ASP A 49 125.913 -13.155 6.795 1.00 0.00 C ATOM 776 CG ASP A 49 126.055 -13.904 8.099 1.00 0.00 C ATOM 777 OD1 ASP A 49 127.075 -13.710 8.821 1.00 0.00 O ATOM 778 OD2 ASP A 49 125.151 -14.683 8.455 1.00 0.00 O ATOM 0 H ASP A 49 125.760 -12.250 4.521 1.00 0.00 H new ATOM 0 HA ASP A 49 127.593 -14.028 5.777 1.00 0.00 H new ATOM 0 HB2 ASP A 49 126.385 -12.177 6.895 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.855 -12.980 6.600 1.00 0.00 H new ATOM 783 N PHE A 50 124.799 -15.215 4.660 1.00 0.00 N ATOM 784 CA PHE A 50 124.035 -16.367 4.286 1.00 0.00 C ATOM 785 C PHE A 50 124.824 -17.278 3.312 1.00 0.00 C ATOM 786 O PHE A 50 125.040 -18.452 3.597 1.00 0.00 O ATOM 787 CB PHE A 50 122.731 -15.870 3.669 1.00 0.00 C ATOM 788 CG PHE A 50 121.880 -16.898 3.054 1.00 0.00 C ATOM 789 CD1 PHE A 50 121.146 -17.749 3.829 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.805 -17.001 1.685 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.347 -18.694 3.251 1.00 0.00 C ATOM 792 CE2 PHE A 50 121.014 -17.940 1.106 1.00 0.00 C ATOM 793 CZ PHE A 50 120.281 -18.789 1.888 1.00 0.00 C ATOM 0 H PHE A 50 124.423 -14.345 4.282 1.00 0.00 H new ATOM 0 HA PHE A 50 123.822 -16.982 5.161 1.00 0.00 H new ATOM 0 HB2 PHE A 50 122.155 -15.364 4.444 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.971 -15.124 2.912 1.00 0.00 H new ATOM 0 HD1 PHE A 50 121.197 -17.675 4.905 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.380 -16.329 1.065 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.769 -19.365 3.869 1.00 0.00 H new ATOM 0 HE2 PHE A 50 120.964 -18.016 0.030 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.649 -19.535 1.429 1.00 0.00 H new ATOM 803 N LYS A 51 125.297 -16.718 2.203 1.00 0.00 N ATOM 804 CA LYS A 51 126.002 -17.499 1.169 1.00 0.00 C ATOM 805 C LYS A 51 127.381 -17.978 1.647 1.00 0.00 C ATOM 806 O LYS A 51 127.974 -18.870 1.044 1.00 0.00 O ATOM 807 CB LYS A 51 126.154 -16.698 -0.141 1.00 0.00 C ATOM 808 CG LYS A 51 127.043 -15.475 -0.015 1.00 0.00 C ATOM 809 CD LYS A 51 127.193 -14.725 -1.324 1.00 0.00 C ATOM 810 CE LYS A 51 128.091 -13.516 -1.130 1.00 0.00 C ATOM 811 NZ LYS A 51 128.220 -12.699 -2.351 1.00 0.00 N ATOM 0 H LYS A 51 125.209 -15.725 1.989 1.00 0.00 H new ATOM 0 HA LYS A 51 125.385 -18.376 0.975 1.00 0.00 H new ATOM 0 HB2 LYS A 51 126.562 -17.353 -0.911 1.00 0.00 H new ATOM 0 HB3 LYS A 51 125.167 -16.384 -0.480 1.00 0.00 H new ATOM 0 HG2 LYS A 51 126.628 -14.805 0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 51 128.027 -15.781 0.339 1.00 0.00 H new ATOM 0 HD2 LYS A 51 127.615 -15.383 -2.084 1.00 0.00 H new ATOM 0 HD3 LYS A 51 126.215 -14.407 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 51 127.692 -12.898 -0.325 1.00 0.00 H new ATOM 0 HE3 LYS A 51 129.080 -13.850 -0.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 128.843 -11.888 -2.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 128.626 -13.277 -3.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 127.282 -12.355 -2.639 1.00 0.00 H new ATOM 825 N LYS A 52 127.898 -17.388 2.716 1.00 0.00 N ATOM 826 CA LYS A 52 129.185 -17.823 3.253 1.00 0.00 C ATOM 827 C LYS A 52 128.992 -19.005 4.208 1.00 0.00 C ATOM 828 O LYS A 52 129.961 -19.567 4.732 1.00 0.00 O ATOM 829 CB LYS A 52 129.961 -16.669 3.933 1.00 0.00 C ATOM 830 CG LYS A 52 129.344 -16.145 5.217 1.00 0.00 C ATOM 831 CD LYS A 52 130.078 -14.921 5.770 1.00 0.00 C ATOM 832 CE LYS A 52 130.015 -13.737 4.808 1.00 0.00 C ATOM 833 NZ LYS A 52 130.501 -12.484 5.417 1.00 0.00 N ATOM 0 H LYS A 52 127.457 -16.620 3.223 1.00 0.00 H new ATOM 0 HA LYS A 52 129.796 -18.151 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 52 130.974 -17.010 4.148 1.00 0.00 H new ATOM 0 HB3 LYS A 52 130.046 -15.844 3.226 1.00 0.00 H new ATOM 0 HG2 LYS A 52 128.301 -15.886 5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 52 129.350 -16.936 5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 52 129.639 -14.636 6.726 1.00 0.00 H new ATOM 0 HD3 LYS A 52 131.120 -15.178 5.962 1.00 0.00 H new ATOM 0 HE2 LYS A 52 130.610 -13.961 3.923 1.00 0.00 H new ATOM 0 HE3 LYS A 52 128.987 -13.599 4.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 130.581 -11.750 4.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 129.831 -12.171 6.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 131.434 -12.646 5.848 1.00 0.00 H new ATOM 847 N SER A 53 127.747 -19.383 4.424 1.00 0.00 N ATOM 848 CA SER A 53 127.426 -20.519 5.246 1.00 0.00 C ATOM 849 C SER A 53 127.441 -21.760 4.346 1.00 0.00 C ATOM 850 O SER A 53 126.955 -21.714 3.215 1.00 0.00 O ATOM 851 CB SER A 53 126.050 -20.315 5.890 1.00 0.00 C ATOM 852 OG SER A 53 125.999 -19.066 6.590 1.00 0.00 O ATOM 0 H SER A 53 126.934 -18.907 4.032 1.00 0.00 H new ATOM 0 HA SER A 53 128.151 -20.643 6.051 1.00 0.00 H new ATOM 0 HB2 SER A 53 125.276 -20.339 5.122 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.841 -21.133 6.579 1.00 0.00 H new ATOM 0 HG SER A 53 126.042 -18.328 5.946 1.00 0.00 H new ATOM 858 N LYS A 54 128.002 -22.844 4.819 1.00 0.00 N ATOM 859 CA LYS A 54 128.167 -24.026 3.987 1.00 0.00 C ATOM 860 C LYS A 54 127.291 -25.176 4.464 1.00 0.00 C ATOM 861 O LYS A 54 127.504 -26.345 4.121 1.00 0.00 O ATOM 862 CB LYS A 54 129.674 -24.394 3.861 1.00 0.00 C ATOM 863 CG LYS A 54 130.463 -24.557 5.176 1.00 0.00 C ATOM 864 CD LYS A 54 130.152 -25.857 5.899 1.00 0.00 C ATOM 865 CE LYS A 54 130.955 -26.007 7.184 1.00 0.00 C ATOM 866 NZ LYS A 54 130.626 -24.973 8.187 1.00 0.00 N ATOM 0 H LYS A 54 128.354 -22.940 5.772 1.00 0.00 H new ATOM 0 HA LYS A 54 127.817 -23.801 2.979 1.00 0.00 H new ATOM 0 HB2 LYS A 54 129.750 -25.326 3.301 1.00 0.00 H new ATOM 0 HB3 LYS A 54 130.163 -23.624 3.265 1.00 0.00 H new ATOM 0 HG2 LYS A 54 131.531 -24.514 4.960 1.00 0.00 H new ATOM 0 HG3 LYS A 54 130.237 -23.718 5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 54 129.088 -25.896 6.131 1.00 0.00 H new ATOM 0 HD3 LYS A 54 130.365 -26.698 5.239 1.00 0.00 H new ATOM 0 HE2 LYS A 54 130.769 -26.993 7.610 1.00 0.00 H new ATOM 0 HE3 LYS A 54 132.019 -25.956 6.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 131.097 -25.199 9.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 130.952 -24.045 7.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 129.597 -24.946 8.333 1.00 0.00 H new ATOM 880 N GLY A 55 126.294 -24.834 5.232 1.00 0.00 N ATOM 881 CA GLY A 55 125.372 -25.806 5.723 1.00 0.00 C ATOM 882 C GLY A 55 124.096 -25.732 4.941 1.00 0.00 C ATOM 883 O GLY A 55 123.421 -24.722 4.995 1.00 0.00 O ATOM 0 H GLY A 55 126.103 -23.878 5.531 1.00 0.00 H new ATOM 0 HA2 GLY A 55 125.803 -26.804 5.641 1.00 0.00 H new ATOM 0 HA3 GLY A 55 125.173 -25.631 6.780 1.00 0.00 H new ATOM 887 N PRO A 56 123.742 -26.773 4.185 1.00 0.00 N ATOM 888 CA PRO A 56 122.541 -26.768 3.344 1.00 0.00 C ATOM 889 C PRO A 56 121.242 -26.608 4.149 1.00 0.00 C ATOM 890 O PRO A 56 120.307 -25.953 3.697 1.00 0.00 O ATOM 891 CB PRO A 56 122.579 -28.120 2.629 1.00 0.00 C ATOM 892 CG PRO A 56 123.992 -28.574 2.747 1.00 0.00 C ATOM 893 CD PRO A 56 124.489 -28.034 4.053 1.00 0.00 C ATOM 0 HA PRO A 56 122.543 -25.919 2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 56 121.895 -28.831 3.092 1.00 0.00 H new ATOM 0 HB3 PRO A 56 122.280 -28.024 1.585 1.00 0.00 H new ATOM 0 HG2 PRO A 56 124.056 -29.662 2.724 1.00 0.00 H new ATOM 0 HG3 PRO A 56 124.592 -28.202 1.917 1.00 0.00 H new ATOM 0 HD2 PRO A 56 124.283 -28.716 4.878 1.00 0.00 H new ATOM 0 HD3 PRO A 56 125.566 -27.867 4.039 1.00 0.00 H new ATOM 901 N GLN A 57 121.192 -27.161 5.350 1.00 0.00 N ATOM 902 CA GLN A 57 120.000 -27.023 6.177 1.00 0.00 C ATOM 903 C GLN A 57 119.962 -25.629 6.756 1.00 0.00 C ATOM 904 O GLN A 57 118.893 -25.007 6.847 1.00 0.00 O ATOM 905 CB GLN A 57 119.934 -28.091 7.272 1.00 0.00 C ATOM 906 CG GLN A 57 119.821 -29.508 6.729 1.00 0.00 C ATOM 907 CD GLN A 57 118.582 -29.705 5.864 1.00 0.00 C ATOM 908 OE1 GLN A 57 117.549 -29.060 6.064 1.00 0.00 O ATOM 909 NE2 GLN A 57 118.672 -30.571 4.903 1.00 0.00 N ATOM 0 H GLN A 57 121.948 -27.701 5.770 1.00 0.00 H new ATOM 0 HA GLN A 57 119.120 -27.177 5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 57 120.826 -28.018 7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 57 119.079 -27.888 7.916 1.00 0.00 H new ATOM 0 HG2 GLN A 57 120.710 -29.741 6.143 1.00 0.00 H new ATOM 0 HG3 GLN A 57 119.795 -30.211 7.561 1.00 0.00 H new ATOM 0 HE21 GLN A 57 119.539 -31.089 4.763 1.00 0.00 H new ATOM 0 HE22 GLN A 57 117.875 -30.734 4.287 1.00 0.00 H new ATOM 918 N GLN A 58 121.158 -25.126 7.074 1.00 0.00 N ATOM 919 CA GLN A 58 121.381 -23.757 7.534 1.00 0.00 C ATOM 920 C GLN A 58 120.796 -22.791 6.504 1.00 0.00 C ATOM 921 O GLN A 58 120.149 -21.821 6.862 1.00 0.00 O ATOM 922 CB GLN A 58 122.907 -23.534 7.704 1.00 0.00 C ATOM 923 CG GLN A 58 123.395 -22.104 7.982 1.00 0.00 C ATOM 924 CD GLN A 58 123.049 -21.561 9.354 1.00 0.00 C ATOM 925 OE1 GLN A 58 122.028 -21.887 9.944 1.00 0.00 O ATOM 926 NE2 GLN A 58 123.908 -20.728 9.874 1.00 0.00 N ATOM 0 H GLN A 58 122.016 -25.674 7.017 1.00 0.00 H new ATOM 0 HA GLN A 58 120.892 -23.581 8.492 1.00 0.00 H new ATOM 0 HB2 GLN A 58 123.249 -24.170 8.521 1.00 0.00 H new ATOM 0 HB3 GLN A 58 123.400 -23.886 6.798 1.00 0.00 H new ATOM 0 HG2 GLN A 58 124.478 -22.076 7.860 1.00 0.00 H new ATOM 0 HG3 GLN A 58 122.972 -21.440 7.228 1.00 0.00 H new ATOM 0 HE21 GLN A 58 124.750 -20.475 9.357 1.00 0.00 H new ATOM 0 HE22 GLN A 58 123.737 -20.329 10.797 1.00 0.00 H new ATOM 935 N ILE A 59 120.993 -23.117 5.222 1.00 0.00 N ATOM 936 CA ILE A 59 120.469 -22.326 4.103 1.00 0.00 C ATOM 937 C ILE A 59 118.958 -22.168 4.225 1.00 0.00 C ATOM 938 O ILE A 59 118.445 -21.072 4.154 1.00 0.00 O ATOM 939 CB ILE A 59 120.751 -22.992 2.727 1.00 0.00 C ATOM 940 CG1 ILE A 59 122.233 -23.347 2.549 1.00 0.00 C ATOM 941 CG2 ILE A 59 120.256 -22.117 1.583 1.00 0.00 C ATOM 942 CD1 ILE A 59 123.207 -22.215 2.764 1.00 0.00 C ATOM 0 H ILE A 59 121.522 -23.939 4.930 1.00 0.00 H new ATOM 0 HA ILE A 59 120.975 -21.361 4.150 1.00 0.00 H new ATOM 0 HB ILE A 59 120.193 -23.928 2.705 1.00 0.00 H new ATOM 0 HG12 ILE A 59 122.481 -24.152 3.241 1.00 0.00 H new ATOM 0 HG13 ILE A 59 122.376 -23.738 1.542 1.00 0.00 H new ATOM 0 HG21 ILE A 59 120.466 -22.607 0.633 1.00 0.00 H new ATOM 0 HG22 ILE A 59 119.182 -21.963 1.682 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.765 -21.154 1.615 1.00 0.00 H new ATOM 0 HD11 ILE A 59 124.224 -22.577 2.613 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.997 -21.415 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 59 123.104 -21.835 3.780 1.00 0.00 H new ATOM 954 N HIS A 60 118.269 -23.282 4.433 1.00 0.00 N ATOM 955 CA HIS A 60 116.790 -23.299 4.526 1.00 0.00 C ATOM 956 C HIS A 60 116.286 -22.338 5.576 1.00 0.00 C ATOM 957 O HIS A 60 115.446 -21.473 5.300 1.00 0.00 O ATOM 958 CB HIS A 60 116.247 -24.706 4.850 1.00 0.00 C ATOM 959 CG HIS A 60 116.401 -25.731 3.762 1.00 0.00 C ATOM 960 ND1 HIS A 60 117.443 -26.502 3.422 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 115.388 -26.071 2.900 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 117.053 -27.281 2.371 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 115.806 -27.003 2.073 1.00 0.00 N flip ATOM 0 H HIS A 60 118.702 -24.199 4.543 1.00 0.00 H new ATOM 0 HA HIS A 60 116.427 -22.992 3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.752 -25.073 5.744 1.00 0.00 H new ATOM 0 HB3 HIS A 60 115.188 -24.619 5.095 1.00 0.00 H new ATOM 0 HD1 HIS A 60 118.361 -26.506 3.867 1.00 0.00 H new ATOM 0 HD2 HIS A 60 114.398 -25.638 2.901 1.00 0.00 H new ATOM 0 HE1 HIS A 60 117.671 -28.009 1.866 1.00 0.00 H new ATOM 972 N LEU A 61 116.811 -22.471 6.758 1.00 0.00 N ATOM 973 CA LEU A 61 116.358 -21.687 7.871 1.00 0.00 C ATOM 974 C LEU A 61 116.831 -20.239 7.787 1.00 0.00 C ATOM 975 O LEU A 61 116.096 -19.319 8.135 1.00 0.00 O ATOM 976 CB LEU A 61 116.733 -22.386 9.175 1.00 0.00 C ATOM 977 CG LEU A 61 118.205 -22.717 9.379 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.875 -21.702 10.266 1.00 0.00 C ATOM 979 CD2 LEU A 61 118.372 -24.129 9.906 1.00 0.00 C ATOM 0 H LEU A 61 117.563 -23.124 6.979 1.00 0.00 H new ATOM 0 HA LEU A 61 115.271 -21.618 7.842 1.00 0.00 H new ATOM 0 HB2 LEU A 61 116.409 -21.756 10.003 1.00 0.00 H new ATOM 0 HB3 LEU A 61 116.164 -23.314 9.239 1.00 0.00 H new ATOM 0 HG LEU A 61 118.702 -22.669 8.410 1.00 0.00 H new ATOM 0 HD11 LEU A 61 119.925 -21.966 10.393 1.00 0.00 H new ATOM 0 HD12 LEU A 61 118.801 -20.715 9.809 1.00 0.00 H new ATOM 0 HD13 LEU A 61 118.384 -21.689 11.239 1.00 0.00 H new ATOM 0 HD21 LEU A 61 119.432 -24.343 10.044 1.00 0.00 H new ATOM 0 HD22 LEU A 61 117.855 -24.224 10.861 1.00 0.00 H new ATOM 0 HD23 LEU A 61 117.949 -24.836 9.192 1.00 0.00 H new ATOM 991 N LYS A 62 118.030 -20.038 7.292 1.00 0.00 N ATOM 992 CA LYS A 62 118.559 -18.689 7.110 1.00 0.00 C ATOM 993 C LYS A 62 117.824 -17.943 6.015 1.00 0.00 C ATOM 994 O LYS A 62 117.512 -16.769 6.176 1.00 0.00 O ATOM 995 CB LYS A 62 120.065 -18.691 6.850 1.00 0.00 C ATOM 996 CG LYS A 62 120.906 -18.955 8.077 1.00 0.00 C ATOM 997 CD LYS A 62 120.790 -17.807 9.059 1.00 0.00 C ATOM 998 CE LYS A 62 121.571 -18.070 10.332 1.00 0.00 C ATOM 999 NZ LYS A 62 121.058 -19.253 11.069 1.00 0.00 N ATOM 0 H LYS A 62 118.664 -20.784 7.006 1.00 0.00 H new ATOM 0 HA LYS A 62 118.390 -18.161 8.048 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.291 -19.448 6.099 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.351 -17.727 6.428 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.585 -19.882 8.553 1.00 0.00 H new ATOM 0 HG3 LYS A 62 121.948 -19.090 7.788 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.154 -16.892 8.592 1.00 0.00 H new ATOM 0 HD3 LYS A 62 119.741 -17.644 9.304 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.622 -18.224 10.087 1.00 0.00 H new ATOM 0 HE3 LYS A 62 121.520 -17.192 10.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 121.491 -19.288 12.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 120.025 -19.182 11.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 121.299 -20.119 10.546 1.00 0.00 H new ATOM 1013 N ALA A 63 117.520 -18.629 4.923 1.00 0.00 N ATOM 1014 CA ALA A 63 116.786 -18.019 3.831 1.00 0.00 C ATOM 1015 C ALA A 63 115.419 -17.634 4.297 1.00 0.00 C ATOM 1016 O ALA A 63 114.986 -16.528 4.067 1.00 0.00 O ATOM 1017 CB ALA A 63 116.673 -18.944 2.638 1.00 0.00 C ATOM 0 H ALA A 63 117.771 -19.606 4.772 1.00 0.00 H new ATOM 0 HA ALA A 63 117.338 -17.134 3.515 1.00 0.00 H new ATOM 0 HB1 ALA A 63 116.116 -18.447 1.844 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.670 -19.197 2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 63 116.151 -19.855 2.932 1.00 0.00 H new ATOM 1023 N LYS A 64 114.752 -18.548 4.989 1.00 0.00 N ATOM 1024 CA LYS A 64 113.418 -18.280 5.505 1.00 0.00 C ATOM 1025 C LYS A 64 113.437 -17.063 6.462 1.00 0.00 C ATOM 1026 O LYS A 64 112.516 -16.237 6.456 1.00 0.00 O ATOM 1027 CB LYS A 64 112.845 -19.512 6.211 1.00 0.00 C ATOM 1028 CG LYS A 64 111.350 -19.424 6.459 1.00 0.00 C ATOM 1029 CD LYS A 64 110.593 -19.410 5.137 1.00 0.00 C ATOM 1030 CE LYS A 64 109.111 -19.130 5.319 1.00 0.00 C ATOM 1031 NZ LYS A 64 108.409 -20.142 6.148 1.00 0.00 N ATOM 0 H LYS A 64 115.112 -19.478 5.205 1.00 0.00 H new ATOM 0 HA LYS A 64 112.771 -18.044 4.660 1.00 0.00 H new ATOM 0 HB2 LYS A 64 113.055 -20.397 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 64 113.357 -19.646 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 64 111.025 -20.271 7.063 1.00 0.00 H new ATOM 0 HG3 LYS A 64 111.121 -18.522 7.026 1.00 0.00 H new ATOM 0 HD2 LYS A 64 111.025 -18.653 4.483 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.720 -20.371 4.639 1.00 0.00 H new ATOM 0 HE2 LYS A 64 108.990 -18.149 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 64 108.636 -19.084 4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 107.404 -19.887 6.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 108.494 -21.077 5.701 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 108.836 -20.172 7.096 1.00 0.00 H new ATOM 1045 N ALA A 65 114.505 -16.948 7.242 1.00 0.00 N ATOM 1046 CA ALA A 65 114.687 -15.829 8.156 1.00 0.00 C ATOM 1047 C ALA A 65 114.828 -14.523 7.386 1.00 0.00 C ATOM 1048 O ALA A 65 114.093 -13.566 7.630 1.00 0.00 O ATOM 1049 CB ALA A 65 115.910 -16.047 9.032 1.00 0.00 C ATOM 0 H ALA A 65 115.267 -17.626 7.258 1.00 0.00 H new ATOM 0 HA ALA A 65 113.804 -15.767 8.793 1.00 0.00 H new ATOM 0 HB1 ALA A 65 116.029 -15.200 9.708 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.783 -16.960 9.613 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.796 -16.137 8.404 1.00 0.00 H new ATOM 1055 N ILE A 66 115.750 -14.501 6.437 1.00 0.00 N ATOM 1056 CA ILE A 66 116.012 -13.320 5.613 1.00 0.00 C ATOM 1057 C ILE A 66 114.775 -12.970 4.779 1.00 0.00 C ATOM 1058 O ILE A 66 114.452 -11.804 4.565 1.00 0.00 O ATOM 1059 CB ILE A 66 117.269 -13.540 4.724 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.493 -13.756 5.636 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.498 -12.385 3.744 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.800 -13.942 4.911 1.00 0.00 C ATOM 0 H ILE A 66 116.342 -15.301 6.212 1.00 0.00 H new ATOM 0 HA ILE A 66 116.222 -12.472 6.265 1.00 0.00 H new ATOM 0 HB ILE A 66 117.110 -14.426 4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.584 -12.901 6.305 1.00 0.00 H new ATOM 0 HG13 ILE A 66 118.313 -14.631 6.260 1.00 0.00 H new ATOM 0 HG21 ILE A 66 118.387 -12.586 3.146 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.633 -12.288 3.087 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.637 -11.458 4.300 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.601 -14.087 5.636 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.735 -14.816 4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 66 120.011 -13.058 4.309 1.00 0.00 H new ATOM 1074 N TYR A 67 114.081 -13.985 4.358 1.00 0.00 N ATOM 1075 CA TYR A 67 112.823 -13.852 3.675 1.00 0.00 C ATOM 1076 C TYR A 67 111.830 -13.066 4.540 1.00 0.00 C ATOM 1077 O TYR A 67 111.424 -11.979 4.176 1.00 0.00 O ATOM 1078 CB TYR A 67 112.281 -15.250 3.375 1.00 0.00 C ATOM 1079 CG TYR A 67 110.925 -15.267 2.775 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.696 -14.672 1.565 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.869 -15.869 3.432 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.453 -14.659 1.008 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.616 -15.872 2.892 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.404 -15.264 1.685 1.00 0.00 C ATOM 1085 OH TYR A 67 107.158 -15.282 1.135 1.00 0.00 O ATOM 0 H TYR A 67 114.379 -14.953 4.482 1.00 0.00 H new ATOM 0 HA TYR A 67 112.963 -13.305 2.743 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.970 -15.756 2.699 1.00 0.00 H new ATOM 0 HB3 TYR A 67 112.262 -15.825 4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.516 -14.204 1.041 1.00 0.00 H new ATOM 0 HD2 TYR A 67 110.038 -16.344 4.387 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.286 -14.184 0.052 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.799 -16.350 3.413 1.00 0.00 H new ATOM 0 HH TYR A 67 106.541 -15.746 1.739 1.00 0.00 H new ATOM 1095 N GLU A 68 111.524 -13.576 5.715 1.00 0.00 N ATOM 1096 CA GLU A 68 110.524 -12.954 6.577 1.00 0.00 C ATOM 1097 C GLU A 68 110.994 -11.641 7.206 1.00 0.00 C ATOM 1098 O GLU A 68 110.182 -10.846 7.680 1.00 0.00 O ATOM 1099 CB GLU A 68 110.068 -13.907 7.658 1.00 0.00 C ATOM 1100 CG GLU A 68 109.375 -15.144 7.139 1.00 0.00 C ATOM 1101 CD GLU A 68 108.820 -15.967 8.253 1.00 0.00 C ATOM 1102 OE1 GLU A 68 107.684 -15.696 8.688 1.00 0.00 O ATOM 1103 OE2 GLU A 68 109.505 -16.882 8.727 1.00 0.00 O ATOM 0 H GLU A 68 111.950 -14.419 6.100 1.00 0.00 H new ATOM 0 HA GLU A 68 109.684 -12.713 5.926 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.933 -14.209 8.249 1.00 0.00 H new ATOM 0 HB3 GLU A 68 109.391 -13.380 8.330 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.570 -14.855 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 68 110.079 -15.741 6.560 1.00 0.00 H new ATOM 1110 N LYS A 69 112.274 -11.418 7.225 1.00 0.00 N ATOM 1111 CA LYS A 69 112.811 -10.214 7.811 1.00 0.00 C ATOM 1112 C LYS A 69 112.994 -9.107 6.762 1.00 0.00 C ATOM 1113 O LYS A 69 112.986 -7.921 7.097 1.00 0.00 O ATOM 1114 CB LYS A 69 114.142 -10.524 8.544 1.00 0.00 C ATOM 1115 CG LYS A 69 114.830 -9.316 9.175 1.00 0.00 C ATOM 1116 CD LYS A 69 116.104 -9.706 9.912 1.00 0.00 C ATOM 1117 CE LYS A 69 116.853 -8.470 10.391 1.00 0.00 C ATOM 1118 NZ LYS A 69 118.091 -8.805 11.124 1.00 0.00 N ATOM 0 H LYS A 69 112.973 -12.054 6.841 1.00 0.00 H new ATOM 0 HA LYS A 69 112.093 -9.842 8.542 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.946 -11.260 9.324 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.830 -10.986 7.836 1.00 0.00 H new ATOM 0 HG2 LYS A 69 115.068 -8.588 8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 69 114.144 -8.830 9.869 1.00 0.00 H new ATOM 0 HD2 LYS A 69 115.857 -10.340 10.764 1.00 0.00 H new ATOM 0 HD3 LYS A 69 116.745 -10.293 9.254 1.00 0.00 H new ATOM 0 HE2 LYS A 69 117.101 -7.845 9.533 1.00 0.00 H new ATOM 0 HE3 LYS A 69 116.201 -7.882 11.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 118.562 -7.929 11.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 117.856 -9.379 11.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 118.728 -9.343 10.502 1.00 0.00 H new ATOM 1132 N PHE A 70 113.099 -9.476 5.508 1.00 0.00 N ATOM 1133 CA PHE A 70 113.435 -8.508 4.473 1.00 0.00 C ATOM 1134 C PHE A 70 112.510 -8.611 3.272 1.00 0.00 C ATOM 1135 O PHE A 70 111.869 -7.640 2.874 1.00 0.00 O ATOM 1136 CB PHE A 70 114.881 -8.719 3.989 1.00 0.00 C ATOM 1137 CG PHE A 70 115.964 -8.497 5.006 1.00 0.00 C ATOM 1138 CD1 PHE A 70 116.437 -7.227 5.261 1.00 0.00 C ATOM 1139 CD2 PHE A 70 116.522 -9.561 5.685 1.00 0.00 C ATOM 1140 CE1 PHE A 70 117.444 -7.021 6.176 1.00 0.00 C ATOM 1141 CE2 PHE A 70 117.531 -9.365 6.597 1.00 0.00 C ATOM 1142 CZ PHE A 70 117.991 -8.092 6.845 1.00 0.00 C ATOM 0 H PHE A 70 112.959 -10.430 5.174 1.00 0.00 H new ATOM 0 HA PHE A 70 113.322 -7.521 4.921 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.970 -9.738 3.612 1.00 0.00 H new ATOM 0 HB3 PHE A 70 115.061 -8.051 3.147 1.00 0.00 H new ATOM 0 HD1 PHE A 70 116.012 -6.384 4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 70 116.161 -10.561 5.497 1.00 0.00 H new ATOM 0 HE1 PHE A 70 117.804 -6.021 6.369 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.962 -10.208 7.118 1.00 0.00 H new ATOM 0 HZ PHE A 70 118.781 -7.934 7.564 1.00 0.00 H new ATOM 1152 N ILE A 71 112.447 -9.793 2.700 1.00 0.00 N ATOM 1153 CA ILE A 71 111.692 -10.038 1.472 1.00 0.00 C ATOM 1154 C ILE A 71 110.180 -9.965 1.734 1.00 0.00 C ATOM 1155 O ILE A 71 109.363 -9.772 0.815 1.00 0.00 O ATOM 1156 CB ILE A 71 112.130 -11.401 0.837 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.621 -11.363 0.490 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.312 -11.786 -0.393 1.00 0.00 C ATOM 1159 CD1 ILE A 71 113.994 -10.283 -0.510 1.00 0.00 C ATOM 0 H ILE A 71 112.917 -10.620 3.068 1.00 0.00 H new ATOM 0 HA ILE A 71 111.917 -9.254 0.749 1.00 0.00 H new ATOM 0 HB ILE A 71 111.941 -12.170 1.586 1.00 0.00 H new ATOM 0 HG12 ILE A 71 114.193 -11.210 1.405 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.915 -12.333 0.089 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.668 -12.740 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.261 -11.876 -0.118 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.422 -11.018 -1.158 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.066 -10.321 -0.704 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.451 -10.446 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.733 -9.306 -0.104 1.00 0.00 H new ATOM 1171 N GLN A 72 109.828 -10.098 2.988 1.00 0.00 N ATOM 1172 CA GLN A 72 108.471 -9.932 3.432 1.00 0.00 C ATOM 1173 C GLN A 72 108.112 -8.449 3.263 1.00 0.00 C ATOM 1174 O GLN A 72 108.962 -7.581 3.450 1.00 0.00 O ATOM 1175 CB GLN A 72 108.368 -10.303 4.912 1.00 0.00 C ATOM 1176 CG GLN A 72 106.948 -10.378 5.415 1.00 0.00 C ATOM 1177 CD GLN A 72 106.209 -11.574 4.852 1.00 0.00 C ATOM 1178 OE1 GLN A 72 105.613 -11.500 3.780 1.00 0.00 O ATOM 1179 NE2 GLN A 72 106.210 -12.658 5.575 1.00 0.00 N ATOM 0 H GLN A 72 110.484 -10.327 3.735 1.00 0.00 H new ATOM 0 HA GLN A 72 107.798 -10.568 2.857 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.853 -11.266 5.072 1.00 0.00 H new ATOM 0 HB3 GLN A 72 108.916 -9.568 5.502 1.00 0.00 H new ATOM 0 HG2 GLN A 72 106.951 -10.434 6.504 1.00 0.00 H new ATOM 0 HG3 GLN A 72 106.419 -9.464 5.144 1.00 0.00 H new ATOM 0 HE21 GLN A 72 106.717 -12.680 6.460 1.00 0.00 H new ATOM 0 HE22 GLN A 72 105.704 -13.484 5.256 1.00 0.00 H new ATOM 1188 N THR A 73 106.902 -8.147 2.912 1.00 0.00 N ATOM 1189 CA THR A 73 106.540 -6.764 2.743 1.00 0.00 C ATOM 1190 C THR A 73 106.183 -6.178 4.100 1.00 0.00 C ATOM 1191 O THR A 73 106.698 -5.142 4.500 1.00 0.00 O ATOM 1192 CB THR A 73 105.400 -6.579 1.715 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.837 -7.065 0.425 1.00 0.00 O ATOM 1194 CG2 THR A 73 105.015 -5.114 1.588 1.00 0.00 C ATOM 0 H THR A 73 106.156 -8.821 2.738 1.00 0.00 H new ATOM 0 HA THR A 73 107.394 -6.224 2.334 1.00 0.00 H new ATOM 0 HB THR A 73 104.531 -7.140 2.058 1.00 0.00 H new ATOM 0 HG1 THR A 73 105.116 -6.951 -0.229 1.00 0.00 H new ATOM 0 HG21 THR A 73 104.211 -5.011 0.859 1.00 0.00 H new ATOM 0 HG22 THR A 73 104.678 -4.741 2.555 1.00 0.00 H new ATOM 0 HG23 THR A 73 105.880 -4.538 1.259 1.00 0.00 H new ATOM 1202 N ASP A 74 105.385 -6.904 4.845 1.00 0.00 N ATOM 1203 CA ASP A 74 104.999 -6.506 6.201 1.00 0.00 C ATOM 1204 C ASP A 74 106.066 -7.007 7.198 1.00 0.00 C ATOM 1205 O ASP A 74 105.781 -7.433 8.317 1.00 0.00 O ATOM 1206 CB ASP A 74 103.591 -7.049 6.547 1.00 0.00 C ATOM 1207 CG ASP A 74 103.512 -8.550 6.744 1.00 0.00 C ATOM 1208 OD1 ASP A 74 103.748 -9.310 5.794 1.00 0.00 O ATOM 1209 OD2 ASP A 74 103.198 -8.987 7.866 1.00 0.00 O ATOM 0 H ASP A 74 104.979 -7.788 4.540 1.00 0.00 H new ATOM 0 HA ASP A 74 104.947 -5.419 6.266 1.00 0.00 H new ATOM 0 HB2 ASP A 74 103.243 -6.560 7.457 1.00 0.00 H new ATOM 0 HB3 ASP A 74 102.903 -6.766 5.750 1.00 0.00 H new ATOM 1214 N ALA A 75 107.305 -6.871 6.774 1.00 0.00 N ATOM 1215 CA ALA A 75 108.488 -7.293 7.501 1.00 0.00 C ATOM 1216 C ALA A 75 108.732 -6.378 8.707 1.00 0.00 C ATOM 1217 O ALA A 75 108.012 -5.381 8.884 1.00 0.00 O ATOM 1218 CB ALA A 75 109.681 -7.214 6.541 1.00 0.00 C ATOM 0 H ALA A 75 107.527 -6.445 5.874 1.00 0.00 H new ATOM 0 HA ALA A 75 108.356 -8.310 7.870 1.00 0.00 H new ATOM 0 HB1 ALA A 75 110.587 -7.526 7.060 1.00 0.00 H new ATOM 0 HB2 ALA A 75 109.507 -7.871 5.689 1.00 0.00 H new ATOM 0 HB3 ALA A 75 109.799 -6.189 6.190 1.00 0.00 H new ATOM 1224 N PRO A 76 109.724 -6.718 9.594 1.00 0.00 N ATOM 1225 CA PRO A 76 110.160 -5.826 10.676 1.00 0.00 C ATOM 1226 C PRO A 76 110.557 -4.466 10.107 1.00 0.00 C ATOM 1227 O PRO A 76 110.426 -3.432 10.766 1.00 0.00 O ATOM 1228 CB PRO A 76 111.382 -6.537 11.282 1.00 0.00 C ATOM 1229 CG PRO A 76 111.705 -7.644 10.339 1.00 0.00 C ATOM 1230 CD PRO A 76 110.423 -8.009 9.669 1.00 0.00 C ATOM 0 HA PRO A 76 109.379 -5.642 11.414 1.00 0.00 H new ATOM 0 HB2 PRO A 76 112.223 -5.852 11.386 1.00 0.00 H new ATOM 0 HB3 PRO A 76 111.159 -6.921 12.277 1.00 0.00 H new ATOM 0 HG2 PRO A 76 112.450 -7.328 9.608 1.00 0.00 H new ATOM 0 HG3 PRO A 76 112.123 -8.499 10.871 1.00 0.00 H new ATOM 0 HD2 PRO A 76 110.589 -8.438 8.681 1.00 0.00 H new ATOM 0 HD3 PRO A 76 109.859 -8.743 10.245 1.00 0.00 H new ATOM 1238 N LYS A 77 111.044 -4.485 8.880 1.00 0.00 N ATOM 1239 CA LYS A 77 111.295 -3.291 8.139 1.00 0.00 C ATOM 1240 C LYS A 77 110.612 -3.423 6.780 1.00 0.00 C ATOM 1241 O LYS A 77 109.385 -3.407 6.711 1.00 0.00 O ATOM 1242 CB LYS A 77 112.806 -2.938 8.012 1.00 0.00 C ATOM 1243 CG LYS A 77 113.497 -2.624 9.342 1.00 0.00 C ATOM 1244 CD LYS A 77 114.917 -2.071 9.153 1.00 0.00 C ATOM 1245 CE LYS A 77 115.909 -3.099 8.614 1.00 0.00 C ATOM 1246 NZ LYS A 77 116.101 -4.237 9.542 1.00 0.00 N ATOM 0 H LYS A 77 111.274 -5.342 8.378 1.00 0.00 H new ATOM 0 HA LYS A 77 110.874 -2.448 8.687 1.00 0.00 H new ATOM 0 HB2 LYS A 77 113.322 -3.772 7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 77 112.911 -2.078 7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 77 112.900 -1.900 9.896 1.00 0.00 H new ATOM 0 HG3 LYS A 77 113.541 -3.530 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.879 -1.223 8.470 1.00 0.00 H new ATOM 0 HD3 LYS A 77 115.281 -1.694 10.109 1.00 0.00 H new ATOM 0 HE2 LYS A 77 115.555 -3.473 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 77 116.869 -2.614 8.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 116.890 -4.827 9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 116.316 -3.877 10.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 115.232 -4.807 9.576 1.00 0.00 H new ATOM 1260 N GLU A 78 111.401 -3.670 5.748 1.00 0.00 N ATOM 1261 CA GLU A 78 110.963 -3.840 4.360 1.00 0.00 C ATOM 1262 C GLU A 78 112.234 -3.685 3.530 1.00 0.00 C ATOM 1263 O GLU A 78 113.283 -3.344 4.098 1.00 0.00 O ATOM 1264 CB GLU A 78 109.956 -2.738 3.929 1.00 0.00 C ATOM 1265 CG GLU A 78 109.250 -3.001 2.606 1.00 0.00 C ATOM 1266 CD GLU A 78 108.385 -1.854 2.179 1.00 0.00 C ATOM 1267 OE1 GLU A 78 107.354 -1.611 2.809 1.00 0.00 O ATOM 1268 OE2 GLU A 78 108.710 -1.182 1.193 1.00 0.00 O ATOM 0 H GLU A 78 112.411 -3.763 5.853 1.00 0.00 H new ATOM 0 HA GLU A 78 110.462 -4.799 4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 78 109.204 -2.627 4.710 1.00 0.00 H new ATOM 0 HB3 GLU A 78 110.486 -1.788 3.859 1.00 0.00 H new ATOM 0 HG2 GLU A 78 109.994 -3.198 1.834 1.00 0.00 H new ATOM 0 HG3 GLU A 78 108.639 -3.899 2.696 1.00 0.00 H new ATOM 1275 N VAL A 79 112.172 -3.928 2.248 1.00 0.00 N ATOM 1276 CA VAL A 79 113.309 -3.745 1.367 1.00 0.00 C ATOM 1277 C VAL A 79 112.856 -2.995 0.165 1.00 0.00 C ATOM 1278 O VAL A 79 111.745 -3.221 -0.317 1.00 0.00 O ATOM 1279 CB VAL A 79 113.904 -5.098 0.876 1.00 0.00 C ATOM 1280 CG1 VAL A 79 115.080 -4.885 -0.070 1.00 0.00 C ATOM 1281 CG2 VAL A 79 114.343 -5.924 2.025 1.00 0.00 C ATOM 0 H VAL A 79 111.330 -4.260 1.777 1.00 0.00 H new ATOM 0 HA VAL A 79 114.077 -3.212 1.927 1.00 0.00 H new ATOM 0 HB VAL A 79 113.114 -5.618 0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 79 115.468 -5.852 -0.391 1.00 0.00 H new ATOM 0 HG12 VAL A 79 114.749 -4.320 -0.941 1.00 0.00 H new ATOM 0 HG13 VAL A 79 115.865 -4.331 0.445 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.755 -6.865 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 79 115.106 -5.387 2.588 1.00 0.00 H new ATOM 0 HG23 VAL A 79 113.491 -6.129 2.673 1.00 0.00 H new ATOM 1291 N ASN A 80 113.672 -2.087 -0.294 1.00 0.00 N ATOM 1292 CA ASN A 80 113.440 -1.423 -1.564 1.00 0.00 C ATOM 1293 C ASN A 80 113.722 -2.416 -2.706 1.00 0.00 C ATOM 1294 O ASN A 80 114.791 -2.425 -3.306 1.00 0.00 O ATOM 1295 CB ASN A 80 114.312 -0.168 -1.720 1.00 0.00 C ATOM 1296 CG ASN A 80 113.900 1.013 -0.864 1.00 0.00 C ATOM 1297 OD1 ASN A 80 113.131 1.872 -1.308 1.00 0.00 O ATOM 1298 ND2 ASN A 80 114.405 1.096 0.340 1.00 0.00 N ATOM 0 H ASN A 80 114.515 -1.782 0.193 1.00 0.00 H new ATOM 0 HA ASN A 80 112.400 -1.097 -1.600 1.00 0.00 H new ATOM 0 HB2 ASN A 80 115.343 -0.429 -1.480 1.00 0.00 H new ATOM 0 HB3 ASN A 80 114.296 0.138 -2.766 1.00 0.00 H new ATOM 0 HD21 ASN A 80 114.166 1.886 0.940 1.00 0.00 H new ATOM 0 HD22 ASN A 80 115.037 0.371 0.679 1.00 0.00 H new ATOM 1305 N LEU A 81 112.797 -3.310 -2.904 1.00 0.00 N ATOM 1306 CA LEU A 81 112.883 -4.350 -3.897 1.00 0.00 C ATOM 1307 C LEU A 81 111.618 -4.322 -4.747 1.00 0.00 C ATOM 1308 O LEU A 81 110.590 -3.782 -4.315 1.00 0.00 O ATOM 1309 CB LEU A 81 113.014 -5.713 -3.177 1.00 0.00 C ATOM 1310 CG LEU A 81 113.033 -6.979 -4.038 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.327 -7.076 -4.786 1.00 0.00 C ATOM 1312 CD2 LEU A 81 112.767 -8.237 -3.193 1.00 0.00 C ATOM 0 H LEU A 81 111.933 -3.339 -2.363 1.00 0.00 H new ATOM 0 HA LEU A 81 113.750 -4.198 -4.540 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.932 -5.694 -2.590 1.00 0.00 H new ATOM 0 HB3 LEU A 81 112.187 -5.800 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 81 112.225 -6.913 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 81 114.329 -7.980 -5.395 1.00 0.00 H new ATOM 0 HD12 LEU A 81 114.441 -6.204 -5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.155 -7.114 -4.078 1.00 0.00 H new ATOM 0 HD21 LEU A 81 112.787 -9.118 -3.835 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.536 -8.329 -2.426 1.00 0.00 H new ATOM 0 HD23 LEU A 81 111.789 -8.157 -2.719 1.00 0.00 H new ATOM 1324 N ASP A 82 111.685 -4.894 -5.929 1.00 0.00 N ATOM 1325 CA ASP A 82 110.542 -4.945 -6.814 1.00 0.00 C ATOM 1326 C ASP A 82 109.634 -6.095 -6.413 1.00 0.00 C ATOM 1327 O ASP A 82 110.065 -7.050 -5.723 1.00 0.00 O ATOM 1328 CB ASP A 82 110.963 -5.117 -8.277 1.00 0.00 C ATOM 1329 CG ASP A 82 111.498 -6.489 -8.582 1.00 0.00 C ATOM 1330 OD1 ASP A 82 112.658 -6.768 -8.272 1.00 0.00 O ATOM 1331 OD2 ASP A 82 110.759 -7.320 -9.131 1.00 0.00 O ATOM 0 H ASP A 82 112.526 -5.334 -6.302 1.00 0.00 H new ATOM 0 HA ASP A 82 110.011 -3.997 -6.724 1.00 0.00 H new ATOM 0 HB2 ASP A 82 110.107 -4.917 -8.921 1.00 0.00 H new ATOM 0 HB3 ASP A 82 111.724 -4.375 -8.519 1.00 0.00 H new ATOM 1336 N PHE A 83 108.399 -6.023 -6.844 1.00 0.00 N ATOM 1337 CA PHE A 83 107.417 -7.015 -6.489 1.00 0.00 C ATOM 1338 C PHE A 83 107.659 -8.346 -7.189 1.00 0.00 C ATOM 1339 O PHE A 83 107.416 -9.379 -6.614 1.00 0.00 O ATOM 1340 CB PHE A 83 105.988 -6.521 -6.748 1.00 0.00 C ATOM 1341 CG PHE A 83 104.926 -7.494 -6.294 1.00 0.00 C ATOM 1342 CD1 PHE A 83 104.638 -7.641 -4.949 1.00 0.00 C ATOM 1343 CD2 PHE A 83 104.238 -8.273 -7.208 1.00 0.00 C ATOM 1344 CE1 PHE A 83 103.683 -8.539 -4.523 1.00 0.00 C ATOM 1345 CE2 PHE A 83 103.285 -9.177 -6.789 1.00 0.00 C ATOM 1346 CZ PHE A 83 103.006 -9.309 -5.445 1.00 0.00 C ATOM 0 H PHE A 83 108.048 -5.279 -7.447 1.00 0.00 H new ATOM 0 HA PHE A 83 107.528 -7.183 -5.418 1.00 0.00 H new ATOM 0 HB2 PHE A 83 105.842 -5.570 -6.236 1.00 0.00 H new ATOM 0 HB3 PHE A 83 105.865 -6.331 -7.814 1.00 0.00 H new ATOM 0 HD1 PHE A 83 105.169 -7.044 -4.222 1.00 0.00 H new ATOM 0 HD2 PHE A 83 104.450 -8.172 -8.262 1.00 0.00 H new ATOM 0 HE1 PHE A 83 103.466 -8.639 -3.470 1.00 0.00 H new ATOM 0 HE2 PHE A 83 102.758 -9.781 -7.513 1.00 0.00 H new ATOM 0 HZ PHE A 83 102.258 -10.015 -5.115 1.00 0.00 H new ATOM 1356 N HIS A 84 108.180 -8.326 -8.390 1.00 0.00 N ATOM 1357 CA HIS A 84 108.362 -9.566 -9.131 1.00 0.00 C ATOM 1358 C HIS A 84 109.468 -10.430 -8.527 1.00 0.00 C ATOM 1359 O HIS A 84 109.340 -11.653 -8.472 1.00 0.00 O ATOM 1360 CB HIS A 84 108.575 -9.311 -10.630 1.00 0.00 C ATOM 1361 CG HIS A 84 108.906 -10.538 -11.437 1.00 0.00 C ATOM 1362 ND1 HIS A 84 108.099 -11.660 -11.503 1.00 0.00 N ATOM 1363 CD2 HIS A 84 109.994 -10.823 -12.184 1.00 0.00 C ATOM 1364 CE1 HIS A 84 108.683 -12.565 -12.254 1.00 0.00 C ATOM 1365 NE2 HIS A 84 109.831 -12.082 -12.677 1.00 0.00 N ATOM 0 H HIS A 84 108.484 -7.483 -8.877 1.00 0.00 H new ATOM 0 HA HIS A 84 107.436 -10.134 -9.041 1.00 0.00 H new ATOM 0 HB2 HIS A 84 107.673 -8.857 -11.039 1.00 0.00 H new ATOM 0 HB3 HIS A 84 109.380 -8.586 -10.750 1.00 0.00 H new ATOM 0 HD1 HIS A 84 107.195 -11.767 -11.042 1.00 0.00 H new ATOM 0 HD2 HIS A 84 110.838 -10.172 -12.358 1.00 0.00 H new ATOM 0 HE1 HIS A 84 108.287 -13.543 -12.486 1.00 0.00 H new ATOM 1374 N THR A 85 110.531 -9.813 -8.084 1.00 0.00 N ATOM 1375 CA THR A 85 111.579 -10.548 -7.441 1.00 0.00 C ATOM 1376 C THR A 85 111.094 -11.114 -6.106 1.00 0.00 C ATOM 1377 O THR A 85 111.304 -12.301 -5.825 1.00 0.00 O ATOM 1378 CB THR A 85 112.834 -9.701 -7.241 1.00 0.00 C ATOM 1379 OG1 THR A 85 113.299 -9.244 -8.512 1.00 0.00 O ATOM 1380 CG2 THR A 85 113.917 -10.508 -6.563 1.00 0.00 C ATOM 0 H THR A 85 110.691 -8.808 -8.157 1.00 0.00 H new ATOM 0 HA THR A 85 111.848 -11.374 -8.099 1.00 0.00 H new ATOM 0 HB THR A 85 112.590 -8.849 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.245 -8.266 -8.548 1.00 0.00 H new ATOM 0 HG21 THR A 85 114.803 -9.888 -6.429 1.00 0.00 H new ATOM 0 HG22 THR A 85 113.562 -10.848 -5.590 1.00 0.00 H new ATOM 0 HG23 THR A 85 114.168 -11.371 -7.180 1.00 0.00 H new ATOM 1388 N LYS A 86 110.413 -10.282 -5.296 1.00 0.00 N ATOM 1389 CA LYS A 86 109.879 -10.778 -4.035 1.00 0.00 C ATOM 1390 C LYS A 86 108.856 -11.873 -4.304 1.00 0.00 C ATOM 1391 O LYS A 86 108.822 -12.846 -3.601 1.00 0.00 O ATOM 1392 CB LYS A 86 109.316 -9.670 -3.097 1.00 0.00 C ATOM 1393 CG LYS A 86 108.094 -8.918 -3.604 1.00 0.00 C ATOM 1394 CD LYS A 86 107.540 -7.936 -2.569 1.00 0.00 C ATOM 1395 CE LYS A 86 108.527 -6.825 -2.224 1.00 0.00 C ATOM 1396 NZ LYS A 86 107.966 -5.882 -1.227 1.00 0.00 N ATOM 0 H LYS A 86 110.229 -9.298 -5.491 1.00 0.00 H new ATOM 0 HA LYS A 86 110.719 -11.197 -3.481 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.065 -10.127 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.109 -8.947 -2.907 1.00 0.00 H new ATOM 0 HG2 LYS A 86 108.356 -8.375 -4.512 1.00 0.00 H new ATOM 0 HG3 LYS A 86 107.317 -9.633 -3.874 1.00 0.00 H new ATOM 0 HD2 LYS A 86 106.620 -7.493 -2.950 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.280 -8.480 -1.661 1.00 0.00 H new ATOM 0 HE2 LYS A 86 109.446 -7.263 -1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 86 108.793 -6.281 -3.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 108.721 -5.564 -0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.558 -5.060 -1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 107.224 -6.360 -0.676 1.00 0.00 H new ATOM 1410 N GLU A 87 108.078 -11.709 -5.377 1.00 0.00 N ATOM 1411 CA GLU A 87 107.114 -12.708 -5.850 1.00 0.00 C ATOM 1412 C GLU A 87 107.787 -14.071 -6.009 1.00 0.00 C ATOM 1413 O GLU A 87 107.354 -15.067 -5.404 1.00 0.00 O ATOM 1414 CB GLU A 87 106.519 -12.249 -7.191 1.00 0.00 C ATOM 1415 CG GLU A 87 105.674 -13.273 -7.910 1.00 0.00 C ATOM 1416 CD GLU A 87 105.150 -12.758 -9.220 1.00 0.00 C ATOM 1417 OE1 GLU A 87 105.913 -12.734 -10.226 1.00 0.00 O ATOM 1418 OE2 GLU A 87 103.958 -12.377 -9.287 1.00 0.00 O ATOM 0 H GLU A 87 108.100 -10.866 -5.951 1.00 0.00 H new ATOM 0 HA GLU A 87 106.315 -12.807 -5.115 1.00 0.00 H new ATOM 0 HB2 GLU A 87 105.912 -11.361 -7.015 1.00 0.00 H new ATOM 0 HB3 GLU A 87 107.336 -11.951 -7.848 1.00 0.00 H new ATOM 0 HG2 GLU A 87 106.266 -14.171 -8.085 1.00 0.00 H new ATOM 0 HG3 GLU A 87 104.837 -13.562 -7.274 1.00 0.00 H new ATOM 1425 N VAL A 88 108.869 -14.100 -6.770 1.00 0.00 N ATOM 1426 CA VAL A 88 109.608 -15.329 -7.004 1.00 0.00 C ATOM 1427 C VAL A 88 110.066 -15.933 -5.683 1.00 0.00 C ATOM 1428 O VAL A 88 109.882 -17.122 -5.441 1.00 0.00 O ATOM 1429 CB VAL A 88 110.831 -15.105 -7.927 1.00 0.00 C ATOM 1430 CG1 VAL A 88 111.604 -16.403 -8.124 1.00 0.00 C ATOM 1431 CG2 VAL A 88 110.391 -14.546 -9.269 1.00 0.00 C ATOM 0 H VAL A 88 109.256 -13.281 -7.239 1.00 0.00 H new ATOM 0 HA VAL A 88 108.931 -16.020 -7.507 1.00 0.00 H new ATOM 0 HB VAL A 88 111.490 -14.381 -7.447 1.00 0.00 H new ATOM 0 HG11 VAL A 88 112.459 -16.222 -8.776 1.00 0.00 H new ATOM 0 HG12 VAL A 88 111.955 -16.768 -7.159 1.00 0.00 H new ATOM 0 HG13 VAL A 88 110.952 -17.149 -8.579 1.00 0.00 H new ATOM 0 HG21 VAL A 88 111.264 -14.395 -9.904 1.00 0.00 H new ATOM 0 HG22 VAL A 88 109.709 -15.248 -9.750 1.00 0.00 H new ATOM 0 HG23 VAL A 88 109.883 -13.593 -9.118 1.00 0.00 H new ATOM 1441 N ILE A 89 110.587 -15.097 -4.813 1.00 0.00 N ATOM 1442 CA ILE A 89 111.076 -15.550 -3.524 1.00 0.00 C ATOM 1443 C ILE A 89 109.912 -16.041 -2.641 1.00 0.00 C ATOM 1444 O ILE A 89 110.028 -17.051 -1.979 1.00 0.00 O ATOM 1445 CB ILE A 89 111.867 -14.440 -2.787 1.00 0.00 C ATOM 1446 CG1 ILE A 89 112.961 -13.867 -3.700 1.00 0.00 C ATOM 1447 CG2 ILE A 89 112.492 -15.002 -1.509 1.00 0.00 C ATOM 1448 CD1 ILE A 89 113.707 -12.696 -3.099 1.00 0.00 C ATOM 0 H ILE A 89 110.685 -14.094 -4.973 1.00 0.00 H new ATOM 0 HA ILE A 89 111.757 -16.381 -3.711 1.00 0.00 H new ATOM 0 HB ILE A 89 111.178 -13.638 -2.522 1.00 0.00 H new ATOM 0 HG12 ILE A 89 113.674 -14.657 -3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 89 112.509 -13.553 -4.641 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.046 -14.214 -0.998 1.00 0.00 H new ATOM 0 HG22 ILE A 89 111.706 -15.376 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.171 -15.816 -1.763 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.463 -12.346 -3.802 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.007 -11.888 -2.888 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.190 -13.009 -2.173 1.00 0.00 H new ATOM 1460 N THR A 90 108.773 -15.345 -2.682 1.00 0.00 N ATOM 1461 CA THR A 90 107.609 -15.731 -1.884 1.00 0.00 C ATOM 1462 C THR A 90 107.072 -17.102 -2.307 1.00 0.00 C ATOM 1463 O THR A 90 106.377 -17.781 -1.544 1.00 0.00 O ATOM 1464 CB THR A 90 106.454 -14.662 -1.914 1.00 0.00 C ATOM 1465 OG1 THR A 90 105.986 -14.419 -3.250 1.00 0.00 O ATOM 1466 CG2 THR A 90 106.893 -13.343 -1.303 1.00 0.00 C ATOM 0 H THR A 90 108.633 -14.514 -3.257 1.00 0.00 H new ATOM 0 HA THR A 90 107.963 -15.790 -0.855 1.00 0.00 H new ATOM 0 HB THR A 90 105.641 -15.080 -1.321 1.00 0.00 H new ATOM 0 HG1 THR A 90 106.552 -14.902 -3.888 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.068 -12.631 -1.342 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.186 -13.502 -0.265 1.00 0.00 H new ATOM 0 HG23 THR A 90 107.741 -12.947 -1.862 1.00 0.00 H new ATOM 1474 N ASN A 91 107.405 -17.508 -3.516 1.00 0.00 N ATOM 1475 CA ASN A 91 106.955 -18.784 -4.031 1.00 0.00 C ATOM 1476 C ASN A 91 108.049 -19.856 -3.909 1.00 0.00 C ATOM 1477 O ASN A 91 107.788 -20.973 -3.463 1.00 0.00 O ATOM 1478 CB ASN A 91 106.522 -18.647 -5.503 1.00 0.00 C ATOM 1479 CG ASN A 91 105.426 -17.606 -5.718 1.00 0.00 C ATOM 1480 OD1 ASN A 91 104.579 -17.366 -4.847 1.00 0.00 O ATOM 1481 ND2 ASN A 91 105.442 -16.960 -6.863 1.00 0.00 N ATOM 0 H ASN A 91 107.986 -16.972 -4.160 1.00 0.00 H new ATOM 0 HA ASN A 91 106.101 -19.098 -3.432 1.00 0.00 H new ATOM 0 HB2 ASN A 91 107.390 -18.380 -6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 91 106.170 -19.614 -5.862 1.00 0.00 H new ATOM 0 HD21 ASN A 91 104.745 -16.240 -7.052 1.00 0.00 H new ATOM 0 HD22 ASN A 91 106.152 -17.179 -7.562 1.00 0.00 H new ATOM 1488 N SER A 92 109.274 -19.496 -4.244 1.00 0.00 N ATOM 1489 CA SER A 92 110.365 -20.455 -4.341 1.00 0.00 C ATOM 1490 C SER A 92 111.284 -20.454 -3.081 1.00 0.00 C ATOM 1491 O SER A 92 112.347 -21.088 -3.079 1.00 0.00 O ATOM 1492 CB SER A 92 111.170 -20.147 -5.633 1.00 0.00 C ATOM 1493 OG SER A 92 112.065 -21.199 -5.995 1.00 0.00 O ATOM 0 H SER A 92 109.543 -18.535 -4.456 1.00 0.00 H new ATOM 0 HA SER A 92 109.945 -21.460 -4.391 1.00 0.00 H new ATOM 0 HB2 SER A 92 110.475 -19.969 -6.454 1.00 0.00 H new ATOM 0 HB3 SER A 92 111.737 -19.227 -5.491 1.00 0.00 H new ATOM 0 HG SER A 92 112.540 -21.513 -5.197 1.00 0.00 H new ATOM 1499 N ILE A 93 110.849 -19.805 -1.998 1.00 0.00 N ATOM 1500 CA ILE A 93 111.659 -19.730 -0.749 1.00 0.00 C ATOM 1501 C ILE A 93 111.737 -21.119 -0.093 1.00 0.00 C ATOM 1502 O ILE A 93 112.623 -21.413 0.717 1.00 0.00 O ATOM 1503 CB ILE A 93 111.079 -18.681 0.269 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.011 -18.490 1.481 1.00 0.00 C ATOM 1505 CG2 ILE A 93 109.676 -19.065 0.718 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.370 -17.909 1.118 1.00 0.00 C ATOM 0 H ILE A 93 109.951 -19.324 -1.946 1.00 0.00 H new ATOM 0 HA ILE A 93 112.660 -19.397 -1.023 1.00 0.00 H new ATOM 0 HB ILE A 93 111.016 -17.726 -0.252 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.525 -17.833 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.156 -19.452 1.973 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.302 -18.321 1.421 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.016 -19.109 -0.148 1.00 0.00 H new ATOM 0 HG23 ILE A 93 109.704 -20.041 1.203 1.00 0.00 H new ATOM 0 HD11 ILE A 93 113.973 -17.802 2.020 1.00 0.00 H new ATOM 0 HD12 ILE A 93 113.876 -18.576 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.236 -16.932 0.654 1.00 0.00 H new ATOM 1518 N THR A 94 110.785 -21.945 -0.457 1.00 0.00 N ATOM 1519 CA THR A 94 110.702 -23.329 -0.048 1.00 0.00 C ATOM 1520 C THR A 94 111.962 -24.137 -0.475 1.00 0.00 C ATOM 1521 O THR A 94 112.332 -25.119 0.180 1.00 0.00 O ATOM 1522 CB THR A 94 109.399 -23.973 -0.624 1.00 0.00 C ATOM 1523 OG1 THR A 94 109.288 -25.353 -0.257 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.333 -23.824 -2.143 1.00 0.00 C ATOM 0 H THR A 94 110.019 -21.662 -1.068 1.00 0.00 H new ATOM 0 HA THR A 94 110.663 -23.360 1.041 1.00 0.00 H new ATOM 0 HB THR A 94 108.557 -23.436 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.462 -25.726 -0.631 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.416 -24.282 -2.514 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.343 -22.766 -2.406 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.193 -24.318 -2.595 1.00 0.00 H new ATOM 1532 N GLN A 95 112.637 -23.706 -1.541 1.00 0.00 N ATOM 1533 CA GLN A 95 113.843 -24.378 -2.008 1.00 0.00 C ATOM 1534 C GLN A 95 114.948 -23.350 -2.254 1.00 0.00 C ATOM 1535 O GLN A 95 115.231 -22.972 -3.398 1.00 0.00 O ATOM 1536 CB GLN A 95 113.598 -25.219 -3.269 1.00 0.00 C ATOM 1537 CG GLN A 95 112.545 -26.301 -3.106 1.00 0.00 C ATOM 1538 CD GLN A 95 112.400 -27.168 -4.336 1.00 0.00 C ATOM 1539 OE1 GLN A 95 112.638 -26.728 -5.462 1.00 0.00 O ATOM 1540 NE2 GLN A 95 112.024 -28.396 -4.144 1.00 0.00 N ATOM 0 H GLN A 95 112.366 -22.894 -2.096 1.00 0.00 H new ATOM 0 HA GLN A 95 114.155 -25.070 -1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 95 113.298 -24.556 -4.081 1.00 0.00 H new ATOM 0 HB3 GLN A 95 114.537 -25.685 -3.569 1.00 0.00 H new ATOM 0 HG2 GLN A 95 112.805 -26.929 -2.253 1.00 0.00 H new ATOM 0 HG3 GLN A 95 111.585 -25.836 -2.879 1.00 0.00 H new ATOM 0 HE21 GLN A 95 111.835 -28.730 -3.199 1.00 0.00 H new ATOM 0 HE22 GLN A 95 111.918 -29.027 -4.938 1.00 0.00 H new ATOM 1549 N PRO A 96 115.539 -22.838 -1.179 1.00 0.00 N ATOM 1550 CA PRO A 96 116.567 -21.819 -1.256 1.00 0.00 C ATOM 1551 C PRO A 96 117.978 -22.370 -1.494 1.00 0.00 C ATOM 1552 O PRO A 96 118.343 -23.452 -1.019 1.00 0.00 O ATOM 1553 CB PRO A 96 116.495 -21.185 0.120 1.00 0.00 C ATOM 1554 CG PRO A 96 116.126 -22.309 1.025 1.00 0.00 C ATOM 1555 CD PRO A 96 115.221 -23.189 0.219 1.00 0.00 C ATOM 0 HA PRO A 96 116.396 -21.146 -2.097 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.450 -20.742 0.404 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.752 -20.388 0.152 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.010 -22.853 1.356 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.623 -21.943 1.920 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.408 -24.244 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.172 -23.002 0.449 1.00 0.00 H new ATOM 1563 N THR A 97 118.739 -21.630 -2.237 1.00 0.00 N ATOM 1564 CA THR A 97 120.132 -21.892 -2.470 1.00 0.00 C ATOM 1565 C THR A 97 120.940 -20.750 -1.857 1.00 0.00 C ATOM 1566 O THR A 97 120.351 -19.867 -1.216 1.00 0.00 O ATOM 1567 CB THR A 97 120.378 -21.943 -3.977 1.00 0.00 C ATOM 1568 OG1 THR A 97 119.620 -20.891 -4.602 1.00 0.00 O ATOM 1569 CG2 THR A 97 119.970 -23.283 -4.542 1.00 0.00 C ATOM 0 H THR A 97 118.399 -20.796 -2.717 1.00 0.00 H new ATOM 0 HA THR A 97 120.428 -22.841 -2.023 1.00 0.00 H new ATOM 0 HB THR A 97 121.441 -21.807 -4.175 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.770 -20.911 -5.570 1.00 0.00 H new ATOM 0 HG21 THR A 97 120.154 -23.296 -5.616 1.00 0.00 H new ATOM 0 HG22 THR A 97 120.552 -24.072 -4.064 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.909 -23.450 -4.354 1.00 0.00 H new ATOM 1577 N LEU A 98 122.257 -20.746 -2.056 1.00 0.00 N ATOM 1578 CA LEU A 98 123.119 -19.639 -1.572 1.00 0.00 C ATOM 1579 C LEU A 98 122.695 -18.312 -2.190 1.00 0.00 C ATOM 1580 O LEU A 98 122.769 -17.261 -1.565 1.00 0.00 O ATOM 1581 CB LEU A 98 124.605 -19.899 -1.884 1.00 0.00 C ATOM 1582 CG LEU A 98 125.449 -20.616 -0.815 1.00 0.00 C ATOM 1583 CD1 LEU A 98 124.823 -21.912 -0.370 1.00 0.00 C ATOM 1584 CD2 LEU A 98 126.849 -20.867 -1.338 1.00 0.00 C ATOM 0 H LEU A 98 122.760 -21.487 -2.545 1.00 0.00 H new ATOM 0 HA LEU A 98 122.997 -19.588 -0.490 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.657 -20.486 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 98 125.076 -18.939 -2.094 1.00 0.00 H new ATOM 0 HG LEU A 98 125.496 -19.961 0.055 1.00 0.00 H new ATOM 0 HD11 LEU A 98 125.455 -22.381 0.384 1.00 0.00 H new ATOM 0 HD12 LEU A 98 123.838 -21.714 0.053 1.00 0.00 H new ATOM 0 HD13 LEU A 98 124.722 -22.580 -1.225 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.437 -21.375 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 98 126.798 -21.491 -2.230 1.00 0.00 H new ATOM 0 HD23 LEU A 98 127.320 -19.916 -1.587 1.00 0.00 H new ATOM 1596 N HIS A 99 122.245 -18.369 -3.413 1.00 0.00 N ATOM 1597 CA HIS A 99 121.773 -17.195 -4.104 1.00 0.00 C ATOM 1598 C HIS A 99 120.256 -17.187 -4.218 1.00 0.00 C ATOM 1599 O HIS A 99 119.717 -16.713 -5.196 1.00 0.00 O ATOM 1600 CB HIS A 99 122.413 -17.068 -5.488 1.00 0.00 C ATOM 1601 CG HIS A 99 123.862 -16.700 -5.470 1.00 0.00 C ATOM 1602 ND1 HIS A 99 124.307 -15.417 -5.269 1.00 0.00 N ATOM 1603 CD2 HIS A 99 124.970 -17.449 -5.651 1.00 0.00 C ATOM 1604 CE1 HIS A 99 125.613 -15.389 -5.333 1.00 0.00 C ATOM 1605 NE2 HIS A 99 126.047 -16.608 -5.564 1.00 0.00 N ATOM 0 H HIS A 99 122.194 -19.228 -3.961 1.00 0.00 H new ATOM 0 HA HIS A 99 122.072 -16.332 -3.509 1.00 0.00 H new ATOM 0 HB2 HIS A 99 122.298 -18.015 -6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 99 121.867 -16.317 -6.059 1.00 0.00 H new ATOM 0 HD2 HIS A 99 125.001 -18.513 -5.831 1.00 0.00 H new ATOM 0 HE1 HIS A 99 126.231 -14.511 -5.216 1.00 0.00 H new ATOM 0 HE2 HIS A 99 127.025 -16.882 -5.662 1.00 0.00 H new ATOM 1614 N SER A 100 119.576 -17.634 -3.172 1.00 0.00 N ATOM 1615 CA SER A 100 118.100 -17.665 -3.123 1.00 0.00 C ATOM 1616 C SER A 100 117.477 -16.268 -3.306 1.00 0.00 C ATOM 1617 O SER A 100 116.313 -16.124 -3.692 1.00 0.00 O ATOM 1618 CB SER A 100 117.665 -18.282 -1.789 1.00 0.00 C ATOM 1619 OG SER A 100 118.494 -17.811 -0.745 1.00 0.00 O ATOM 0 H SER A 100 120.022 -17.989 -2.326 1.00 0.00 H new ATOM 0 HA SER A 100 117.740 -18.272 -3.954 1.00 0.00 H new ATOM 0 HB2 SER A 100 116.626 -18.027 -1.583 1.00 0.00 H new ATOM 0 HB3 SER A 100 117.721 -19.369 -1.846 1.00 0.00 H new ATOM 0 HG SER A 100 119.217 -18.454 -0.586 1.00 0.00 H new ATOM 1625 N PHE A 101 118.264 -15.250 -3.048 1.00 0.00 N ATOM 1626 CA PHE A 101 117.808 -13.894 -3.145 1.00 0.00 C ATOM 1627 C PHE A 101 118.665 -13.125 -4.159 1.00 0.00 C ATOM 1628 O PHE A 101 118.688 -11.895 -4.136 1.00 0.00 O ATOM 1629 CB PHE A 101 117.945 -13.214 -1.780 1.00 0.00 C ATOM 1630 CG PHE A 101 117.344 -13.949 -0.623 1.00 0.00 C ATOM 1631 CD1 PHE A 101 115.980 -13.976 -0.432 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.159 -14.600 0.290 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.434 -14.639 0.643 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.618 -15.265 1.363 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.254 -15.284 1.537 1.00 0.00 C ATOM 0 H PHE A 101 119.239 -15.345 -2.765 1.00 0.00 H new ATOM 0 HA PHE A 101 116.767 -13.894 -3.467 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.005 -13.059 -1.577 1.00 0.00 H new ATOM 0 HB3 PHE A 101 117.484 -12.228 -1.839 1.00 0.00 H new ATOM 0 HD1 PHE A 101 115.332 -13.471 -1.134 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.231 -14.584 0.156 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.363 -14.652 0.784 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.261 -15.771 2.067 1.00 0.00 H new ATOM 0 HZ PHE A 101 115.826 -15.808 2.379 1.00 0.00 H new ATOM 1645 N ASP A 102 119.318 -13.845 -5.072 1.00 0.00 N ATOM 1646 CA ASP A 102 120.301 -13.255 -6.025 1.00 0.00 C ATOM 1647 C ASP A 102 119.741 -12.072 -6.818 1.00 0.00 C ATOM 1648 O ASP A 102 120.384 -11.018 -6.905 1.00 0.00 O ATOM 1649 CB ASP A 102 120.885 -14.313 -6.992 1.00 0.00 C ATOM 1650 CG ASP A 102 119.934 -14.760 -8.087 1.00 0.00 C ATOM 1651 OD1 ASP A 102 118.913 -15.420 -7.793 1.00 0.00 O ATOM 1652 OD2 ASP A 102 120.193 -14.447 -9.267 1.00 0.00 O ATOM 0 H ASP A 102 119.192 -14.851 -5.184 1.00 0.00 H new ATOM 0 HA ASP A 102 121.107 -12.874 -5.398 1.00 0.00 H new ATOM 0 HB2 ASP A 102 121.785 -13.907 -7.454 1.00 0.00 H new ATOM 0 HB3 ASP A 102 121.189 -15.186 -6.414 1.00 0.00 H new ATOM 1657 N ALA A 103 118.521 -12.208 -7.329 1.00 0.00 N ATOM 1658 CA ALA A 103 117.913 -11.153 -8.135 1.00 0.00 C ATOM 1659 C ALA A 103 117.568 -9.966 -7.266 1.00 0.00 C ATOM 1660 O ALA A 103 117.643 -8.809 -7.690 1.00 0.00 O ATOM 1661 CB ALA A 103 116.672 -11.668 -8.849 1.00 0.00 C ATOM 0 H ALA A 103 117.936 -13.034 -7.201 1.00 0.00 H new ATOM 0 HA ALA A 103 118.633 -10.837 -8.890 1.00 0.00 H new ATOM 0 HB1 ALA A 103 116.235 -10.866 -9.444 1.00 0.00 H new ATOM 0 HB2 ALA A 103 116.946 -12.496 -9.503 1.00 0.00 H new ATOM 0 HB3 ALA A 103 115.945 -12.011 -8.113 1.00 0.00 H new ATOM 1667 N ALA A 104 117.268 -10.255 -6.024 1.00 0.00 N ATOM 1668 CA ALA A 104 116.870 -9.248 -5.089 1.00 0.00 C ATOM 1669 C ALA A 104 118.049 -8.418 -4.655 1.00 0.00 C ATOM 1670 O ALA A 104 117.941 -7.203 -4.514 1.00 0.00 O ATOM 1671 CB ALA A 104 116.158 -9.868 -3.896 1.00 0.00 C ATOM 0 H ALA A 104 117.295 -11.199 -5.638 1.00 0.00 H new ATOM 0 HA ALA A 104 116.165 -8.582 -5.587 1.00 0.00 H new ATOM 0 HB1 ALA A 104 115.865 -9.083 -3.199 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.270 -10.399 -4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 104 116.828 -10.566 -3.395 1.00 0.00 H new ATOM 1677 N GLN A 105 119.199 -9.062 -4.513 1.00 0.00 N ATOM 1678 CA GLN A 105 120.388 -8.358 -4.077 1.00 0.00 C ATOM 1679 C GLN A 105 120.869 -7.500 -5.232 1.00 0.00 C ATOM 1680 O GLN A 105 121.347 -6.376 -5.042 1.00 0.00 O ATOM 1681 CB GLN A 105 121.514 -9.314 -3.631 1.00 0.00 C ATOM 1682 CG GLN A 105 121.111 -10.464 -2.691 1.00 0.00 C ATOM 1683 CD GLN A 105 120.137 -10.084 -1.589 1.00 0.00 C ATOM 1684 OE1 GLN A 105 120.506 -9.680 -0.529 1.00 0.00 O ATOM 1685 NE2 GLN A 105 118.888 -10.285 -1.829 1.00 0.00 N ATOM 0 H GLN A 105 119.330 -10.058 -4.692 1.00 0.00 H new ATOM 0 HA GLN A 105 120.134 -7.751 -3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 105 121.967 -9.746 -4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.285 -8.724 -3.136 1.00 0.00 H new ATOM 0 HG2 GLN A 105 120.668 -11.262 -3.287 1.00 0.00 H new ATOM 0 HG3 GLN A 105 122.012 -10.871 -2.233 1.00 0.00 H new ATOM 0 HE21 GLN A 105 118.593 -10.631 -2.742 1.00 0.00 H new ATOM 0 HE22 GLN A 105 118.193 -10.098 -1.106 1.00 0.00 H new ATOM 1694 N SER A 106 120.691 -8.039 -6.441 1.00 0.00 N ATOM 1695 CA SER A 106 121.016 -7.348 -7.663 1.00 0.00 C ATOM 1696 C SER A 106 120.210 -6.046 -7.760 1.00 0.00 C ATOM 1697 O SER A 106 120.769 -5.003 -8.103 1.00 0.00 O ATOM 1698 CB SER A 106 120.748 -8.257 -8.878 1.00 0.00 C ATOM 1699 OG SER A 106 121.095 -7.627 -10.104 1.00 0.00 O ATOM 0 H SER A 106 120.313 -8.975 -6.586 1.00 0.00 H new ATOM 0 HA SER A 106 122.076 -7.095 -7.659 1.00 0.00 H new ATOM 0 HB2 SER A 106 121.317 -9.181 -8.772 1.00 0.00 H new ATOM 0 HB3 SER A 106 119.694 -8.533 -8.898 1.00 0.00 H new ATOM 0 HG SER A 106 120.911 -8.237 -10.849 1.00 0.00 H new ATOM 1705 N ARG A 107 118.899 -6.111 -7.433 1.00 0.00 N ATOM 1706 CA ARG A 107 118.032 -4.922 -7.424 1.00 0.00 C ATOM 1707 C ARG A 107 118.586 -3.869 -6.508 1.00 0.00 C ATOM 1708 O ARG A 107 118.796 -2.750 -6.903 1.00 0.00 O ATOM 1709 CB ARG A 107 116.613 -5.245 -6.952 1.00 0.00 C ATOM 1710 CG ARG A 107 115.787 -6.105 -7.878 1.00 0.00 C ATOM 1711 CD ARG A 107 115.581 -5.452 -9.241 1.00 0.00 C ATOM 1712 NE ARG A 107 114.646 -6.235 -10.039 1.00 0.00 N ATOM 1713 CZ ARG A 107 114.612 -6.306 -11.369 1.00 0.00 C ATOM 1714 NH1 ARG A 107 115.240 -5.400 -12.112 1.00 0.00 N ATOM 1715 NH2 ARG A 107 113.843 -7.222 -11.954 1.00 0.00 N ATOM 0 H ARG A 107 118.424 -6.975 -7.173 1.00 0.00 H new ATOM 0 HA ARG A 107 117.997 -4.564 -8.453 1.00 0.00 H new ATOM 0 HB2 ARG A 107 116.678 -5.745 -5.986 1.00 0.00 H new ATOM 0 HB3 ARG A 107 116.083 -4.306 -6.790 1.00 0.00 H new ATOM 0 HG2 ARG A 107 116.278 -7.069 -8.010 1.00 0.00 H new ATOM 0 HG3 ARG A 107 114.817 -6.301 -7.421 1.00 0.00 H new ATOM 0 HD2 ARG A 107 115.201 -4.439 -9.113 1.00 0.00 H new ATOM 0 HD3 ARG A 107 116.535 -5.371 -9.761 1.00 0.00 H new ATOM 0 HE ARG A 107 113.951 -6.781 -9.530 1.00 0.00 H new ATOM 0 HH11 ARG A 107 115.754 -4.641 -11.665 1.00 0.00 H new ATOM 0 HH12 ARG A 107 115.208 -5.464 -13.129 1.00 0.00 H new ATOM 0 HH21 ARG A 107 113.287 -7.860 -11.385 1.00 0.00 H new ATOM 0 HH22 ARG A 107 113.809 -7.285 -12.971 1.00 0.00 H new ATOM 1729 N VAL A 108 118.870 -4.272 -5.309 1.00 0.00 N ATOM 1730 CA VAL A 108 119.310 -3.386 -4.255 1.00 0.00 C ATOM 1731 C VAL A 108 120.667 -2.726 -4.536 1.00 0.00 C ATOM 1732 O VAL A 108 120.869 -1.541 -4.236 1.00 0.00 O ATOM 1733 CB VAL A 108 119.276 -4.140 -2.925 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.879 -3.340 -1.811 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.836 -4.458 -2.610 1.00 0.00 C ATOM 0 H VAL A 108 118.804 -5.248 -5.020 1.00 0.00 H new ATOM 0 HA VAL A 108 118.617 -2.546 -4.202 1.00 0.00 H new ATOM 0 HB VAL A 108 119.868 -5.051 -3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.834 -3.914 -0.885 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.919 -3.114 -2.047 1.00 0.00 H new ATOM 0 HG13 VAL A 108 119.324 -2.410 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.781 -4.997 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 108 117.267 -3.531 -2.533 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.418 -5.076 -3.405 1.00 0.00 H new ATOM 1745 N TYR A 109 121.566 -3.465 -5.127 1.00 0.00 N ATOM 1746 CA TYR A 109 122.859 -2.936 -5.512 1.00 0.00 C ATOM 1747 C TYR A 109 122.720 -1.781 -6.537 1.00 0.00 C ATOM 1748 O TYR A 109 123.239 -0.687 -6.316 1.00 0.00 O ATOM 1749 CB TYR A 109 123.741 -4.090 -6.008 1.00 0.00 C ATOM 1750 CG TYR A 109 124.891 -3.720 -6.920 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.697 -3.661 -8.290 1.00 0.00 C ATOM 1752 CD2 TYR A 109 126.159 -3.450 -6.425 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.711 -3.349 -9.142 1.00 0.00 C ATOM 1754 CE2 TYR A 109 127.196 -3.128 -7.282 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.962 -3.079 -8.644 1.00 0.00 C ATOM 1756 OH TYR A 109 127.994 -2.784 -9.513 1.00 0.00 O ATOM 0 H TYR A 109 121.430 -4.449 -5.358 1.00 0.00 H new ATOM 0 HA TYR A 109 123.349 -2.488 -4.647 1.00 0.00 H new ATOM 0 HB2 TYR A 109 124.148 -4.606 -5.138 1.00 0.00 H new ATOM 0 HB3 TYR A 109 123.106 -4.803 -6.533 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.716 -3.868 -8.692 1.00 0.00 H new ATOM 0 HD2 TYR A 109 126.338 -3.492 -5.361 1.00 0.00 H new ATOM 0 HE1 TYR A 109 125.533 -3.314 -10.207 1.00 0.00 H new ATOM 0 HE2 TYR A 109 128.180 -2.917 -6.891 1.00 0.00 H new ATOM 0 HH TYR A 109 128.234 -1.838 -9.427 1.00 0.00 H new ATOM 1766 N GLN A 110 121.979 -2.015 -7.614 1.00 0.00 N ATOM 1767 CA GLN A 110 121.777 -0.980 -8.651 1.00 0.00 C ATOM 1768 C GLN A 110 120.904 0.148 -8.122 1.00 0.00 C ATOM 1769 O GLN A 110 121.098 1.311 -8.467 1.00 0.00 O ATOM 1770 CB GLN A 110 121.182 -1.581 -9.928 1.00 0.00 C ATOM 1771 CG GLN A 110 120.042 -2.524 -9.657 1.00 0.00 C ATOM 1772 CD GLN A 110 119.379 -3.075 -10.889 1.00 0.00 C ATOM 1773 OE1 GLN A 110 118.935 -4.302 -10.802 1.00 0.00 O flip ATOM 1774 NE2 GLN A 110 119.293 -2.422 -11.930 1.00 0.00 N flip ATOM 0 H GLN A 110 121.507 -2.900 -7.802 1.00 0.00 H new ATOM 0 HA GLN A 110 122.753 -0.566 -8.905 1.00 0.00 H new ATOM 0 HB2 GLN A 110 120.834 -0.775 -10.574 1.00 0.00 H new ATOM 0 HB3 GLN A 110 121.964 -2.111 -10.472 1.00 0.00 H new ATOM 0 HG2 GLN A 110 120.410 -3.355 -9.056 1.00 0.00 H new ATOM 0 HG3 GLN A 110 119.293 -2.005 -9.058 1.00 0.00 H new ATOM 0 HE21 GLN A 110 119.650 -1.467 -11.964 1.00 0.00 H new ATOM 0 HE22 GLN A 110 118.865 -2.836 -12.758 1.00 0.00 H new ATOM 1783 N LEU A 111 119.954 -0.226 -7.280 1.00 0.00 N ATOM 1784 CA LEU A 111 119.061 0.684 -6.586 1.00 0.00 C ATOM 1785 C LEU A 111 119.867 1.752 -5.862 1.00 0.00 C ATOM 1786 O LEU A 111 119.730 2.942 -6.138 1.00 0.00 O ATOM 1787 CB LEU A 111 118.284 -0.126 -5.561 1.00 0.00 C ATOM 1788 CG LEU A 111 117.384 0.614 -4.611 1.00 0.00 C ATOM 1789 CD1 LEU A 111 116.086 1.039 -5.278 1.00 0.00 C ATOM 1790 CD2 LEU A 111 117.158 -0.218 -3.372 1.00 0.00 C ATOM 0 H LEU A 111 119.779 -1.205 -7.054 1.00 0.00 H new ATOM 0 HA LEU A 111 118.391 1.168 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 111 117.675 -0.851 -6.101 1.00 0.00 H new ATOM 0 HB3 LEU A 111 119.003 -0.691 -4.968 1.00 0.00 H new ATOM 0 HG LEU A 111 117.875 1.539 -4.308 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.464 1.570 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.307 1.695 -6.120 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.555 0.157 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 111 116.505 0.321 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 111 116.692 -1.164 -3.649 1.00 0.00 H new ATOM 0 HD23 LEU A 111 118.114 -0.413 -2.886 1.00 0.00 H new ATOM 1802 N MET A 112 120.746 1.306 -4.968 1.00 0.00 N ATOM 1803 CA MET A 112 121.576 2.209 -4.186 1.00 0.00 C ATOM 1804 C MET A 112 122.476 3.034 -5.057 1.00 0.00 C ATOM 1805 O MET A 112 122.692 4.193 -4.773 1.00 0.00 O ATOM 1806 CB MET A 112 122.408 1.476 -3.155 1.00 0.00 C ATOM 1807 CG MET A 112 121.626 0.908 -2.002 1.00 0.00 C ATOM 1808 SD MET A 112 122.686 0.058 -0.831 1.00 0.00 S ATOM 1809 CE MET A 112 123.298 -1.241 -1.855 1.00 0.00 C ATOM 0 H MET A 112 120.900 0.318 -4.769 1.00 0.00 H new ATOM 0 HA MET A 112 120.885 2.871 -3.664 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.941 0.664 -3.649 1.00 0.00 H new ATOM 0 HB3 MET A 112 123.161 2.160 -2.763 1.00 0.00 H new ATOM 0 HG2 MET A 112 121.094 1.712 -1.493 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.873 0.216 -2.379 1.00 0.00 H new ATOM 0 HE1 MET A 112 123.111 -2.202 -1.375 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.792 -1.213 -2.820 1.00 0.00 H new ATOM 0 HE3 MET A 112 124.370 -1.112 -2.004 1.00 0.00 H new ATOM 1819 N GLU A 113 122.990 2.440 -6.113 1.00 0.00 N ATOM 1820 CA GLU A 113 123.857 3.135 -7.038 1.00 0.00 C ATOM 1821 C GLU A 113 123.157 4.378 -7.642 1.00 0.00 C ATOM 1822 O GLU A 113 123.526 5.520 -7.343 1.00 0.00 O ATOM 1823 CB GLU A 113 124.337 2.173 -8.129 1.00 0.00 C ATOM 1824 CG GLU A 113 125.271 2.789 -9.152 1.00 0.00 C ATOM 1825 CD GLU A 113 125.761 1.785 -10.162 1.00 0.00 C ATOM 1826 OE1 GLU A 113 124.932 1.137 -10.832 1.00 0.00 O ATOM 1827 OE2 GLU A 113 126.987 1.615 -10.307 1.00 0.00 O ATOM 0 H GLU A 113 122.819 1.464 -6.353 1.00 0.00 H new ATOM 0 HA GLU A 113 124.728 3.497 -6.492 1.00 0.00 H new ATOM 0 HB2 GLU A 113 124.843 1.332 -7.655 1.00 0.00 H new ATOM 0 HB3 GLU A 113 123.467 1.770 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 113 124.756 3.598 -9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 113 126.125 3.231 -8.640 1.00 0.00 H new ATOM 1834 N GLN A 114 122.127 4.161 -8.416 1.00 0.00 N ATOM 1835 CA GLN A 114 121.431 5.257 -9.100 1.00 0.00 C ATOM 1836 C GLN A 114 120.714 6.207 -8.132 1.00 0.00 C ATOM 1837 O GLN A 114 120.627 7.406 -8.389 1.00 0.00 O ATOM 1838 CB GLN A 114 120.453 4.698 -10.128 1.00 0.00 C ATOM 1839 CG GLN A 114 119.438 3.751 -9.531 1.00 0.00 C ATOM 1840 CD GLN A 114 118.583 3.074 -10.554 1.00 0.00 C ATOM 1841 OE1 GLN A 114 117.507 3.563 -10.919 1.00 0.00 O ATOM 1842 NE2 GLN A 114 119.041 1.959 -11.030 1.00 0.00 N ATOM 0 H GLN A 114 121.738 3.236 -8.599 1.00 0.00 H new ATOM 0 HA GLN A 114 122.192 5.850 -9.607 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.930 5.524 -10.609 1.00 0.00 H new ATOM 0 HB3 GLN A 114 121.012 4.178 -10.906 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.959 2.994 -8.945 1.00 0.00 H new ATOM 0 HG3 GLN A 114 118.799 4.303 -8.842 1.00 0.00 H new ATOM 0 HE21 GLN A 114 119.934 1.592 -10.700 1.00 0.00 H new ATOM 0 HE22 GLN A 114 118.509 1.448 -11.735 1.00 0.00 H new ATOM 1851 N ASP A 115 120.224 5.683 -7.033 1.00 0.00 N ATOM 1852 CA ASP A 115 119.467 6.490 -6.085 1.00 0.00 C ATOM 1853 C ASP A 115 120.370 7.202 -5.088 1.00 0.00 C ATOM 1854 O ASP A 115 120.414 8.427 -5.044 1.00 0.00 O ATOM 1855 CB ASP A 115 118.434 5.621 -5.336 1.00 0.00 C ATOM 1856 CG ASP A 115 117.619 6.379 -4.297 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.546 6.938 -4.643 1.00 0.00 O ATOM 1858 OD2 ASP A 115 118.007 6.408 -3.113 1.00 0.00 O ATOM 0 H ASP A 115 120.332 4.704 -6.767 1.00 0.00 H new ATOM 0 HA ASP A 115 118.945 7.254 -6.661 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.753 5.178 -6.063 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.955 4.799 -4.844 1.00 0.00 H new ATOM 1863 N SER A 116 121.130 6.445 -4.350 1.00 0.00 N ATOM 1864 CA SER A 116 121.852 6.978 -3.219 1.00 0.00 C ATOM 1865 C SER A 116 123.356 7.276 -3.489 1.00 0.00 C ATOM 1866 O SER A 116 123.907 8.180 -2.882 1.00 0.00 O ATOM 1867 CB SER A 116 121.702 6.000 -2.064 1.00 0.00 C ATOM 1868 OG SER A 116 120.333 5.633 -1.886 1.00 0.00 O ATOM 0 H SER A 116 121.270 5.447 -4.509 1.00 0.00 H new ATOM 0 HA SER A 116 121.417 7.950 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 116 122.300 5.109 -2.256 1.00 0.00 H new ATOM 0 HB3 SER A 116 122.085 6.450 -1.148 1.00 0.00 H new ATOM 0 HG SER A 116 119.763 6.230 -2.414 1.00 0.00 H new ATOM 1874 N TYR A 117 123.998 6.549 -4.413 1.00 0.00 N ATOM 1875 CA TYR A 117 125.457 6.682 -4.650 1.00 0.00 C ATOM 1876 C TYR A 117 125.835 8.084 -5.098 1.00 0.00 C ATOM 1877 O TYR A 117 126.858 8.625 -4.685 1.00 0.00 O ATOM 1878 CB TYR A 117 125.909 5.605 -5.635 1.00 0.00 C ATOM 1879 CG TYR A 117 127.284 5.743 -6.250 1.00 0.00 C ATOM 1880 CD1 TYR A 117 128.447 5.638 -5.499 1.00 0.00 C ATOM 1881 CD2 TYR A 117 127.404 5.956 -7.612 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.689 5.748 -6.103 1.00 0.00 C ATOM 1883 CE2 TYR A 117 128.627 6.060 -8.216 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.764 5.957 -7.468 1.00 0.00 C ATOM 1885 OH TYR A 117 130.983 6.061 -8.087 1.00 0.00 O ATOM 0 H TYR A 117 123.539 5.862 -5.011 1.00 0.00 H new ATOM 0 HA TYR A 117 125.986 6.528 -3.710 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.866 4.644 -5.123 1.00 0.00 H new ATOM 0 HB3 TYR A 117 125.182 5.567 -6.446 1.00 0.00 H new ATOM 0 HD1 TYR A 117 128.383 5.469 -4.434 1.00 0.00 H new ATOM 0 HD2 TYR A 117 126.511 6.042 -8.213 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.590 5.671 -5.513 1.00 0.00 H new ATOM 0 HE2 TYR A 117 128.693 6.223 -9.282 1.00 0.00 H new ATOM 0 HH TYR A 117 131.689 5.779 -7.469 1.00 0.00 H new ATOM 1895 N THR A 118 124.983 8.667 -5.873 1.00 0.00 N ATOM 1896 CA THR A 118 125.159 10.014 -6.352 1.00 0.00 C ATOM 1897 C THR A 118 125.120 11.023 -5.176 1.00 0.00 C ATOM 1898 O THR A 118 126.016 11.879 -5.019 1.00 0.00 O ATOM 1899 CB THR A 118 124.050 10.306 -7.360 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.801 9.858 -6.800 1.00 0.00 O ATOM 1901 CG2 THR A 118 124.300 9.565 -8.662 1.00 0.00 C ATOM 0 H THR A 118 124.127 8.221 -6.202 1.00 0.00 H new ATOM 0 HA THR A 118 126.132 10.118 -6.832 1.00 0.00 H new ATOM 0 HB THR A 118 124.024 11.376 -7.567 1.00 0.00 H new ATOM 0 HG1 THR A 118 122.075 10.039 -7.433 1.00 0.00 H new ATOM 0 HG21 THR A 118 123.498 9.787 -9.367 1.00 0.00 H new ATOM 0 HG22 THR A 118 125.253 9.883 -9.085 1.00 0.00 H new ATOM 0 HG23 THR A 118 124.328 8.492 -8.471 1.00 0.00 H new ATOM 1909 N ARG A 119 124.117 10.870 -4.317 1.00 0.00 N ATOM 1910 CA ARG A 119 123.971 11.724 -3.145 1.00 0.00 C ATOM 1911 C ARG A 119 125.135 11.466 -2.193 1.00 0.00 C ATOM 1912 O ARG A 119 125.608 12.371 -1.517 1.00 0.00 O ATOM 1913 CB ARG A 119 122.674 11.442 -2.405 1.00 0.00 C ATOM 1914 CG ARG A 119 121.417 11.496 -3.218 1.00 0.00 C ATOM 1915 CD ARG A 119 120.215 11.152 -2.356 1.00 0.00 C ATOM 1916 NE ARG A 119 119.026 10.940 -3.166 1.00 0.00 N ATOM 1917 CZ ARG A 119 118.314 9.814 -3.148 1.00 0.00 C ATOM 1918 NH1 ARG A 119 118.452 8.948 -2.137 1.00 0.00 N ATOM 1919 NH2 ARG A 119 117.402 9.592 -4.088 1.00 0.00 N ATOM 0 H ARG A 119 123.391 10.160 -4.412 1.00 0.00 H new ATOM 0 HA ARG A 119 123.960 12.760 -3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.747 10.452 -1.954 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.584 12.159 -1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.294 12.492 -3.644 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.486 10.798 -4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 119 120.427 10.254 -1.775 1.00 0.00 H new ATOM 0 HD3 ARG A 119 120.033 11.957 -1.644 1.00 0.00 H new ATOM 0 HE ARG A 119 118.721 11.694 -3.781 1.00 0.00 H new ATOM 0 HH11 ARG A 119 119.103 9.149 -1.378 1.00 0.00 H new ATOM 0 HH12 ARG A 119 117.906 8.087 -2.125 1.00 0.00 H new ATOM 0 HH21 ARG A 119 117.248 10.283 -4.822 1.00 0.00 H new ATOM 0 HH22 ARG A 119 116.856 8.730 -4.076 1.00 0.00 H new ATOM 1933 N PHE A 120 125.575 10.213 -2.139 1.00 0.00 N ATOM 1934 CA PHE A 120 126.727 9.823 -1.351 1.00 0.00 C ATOM 1935 C PHE A 120 127.937 10.609 -1.783 1.00 0.00 C ATOM 1936 O PHE A 120 128.588 11.227 -0.956 1.00 0.00 O ATOM 1937 CB PHE A 120 126.995 8.307 -1.451 1.00 0.00 C ATOM 1938 CG PHE A 120 128.348 7.877 -0.922 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.603 7.785 0.440 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.372 7.582 -1.808 1.00 0.00 C ATOM 1941 CE1 PHE A 120 129.857 7.402 0.896 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.611 7.206 -1.355 1.00 0.00 C ATOM 1943 CZ PHE A 120 130.855 7.115 -0.005 1.00 0.00 C ATOM 0 H PHE A 120 125.138 9.442 -2.643 1.00 0.00 H new ATOM 0 HA PHE A 120 126.514 10.047 -0.306 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.218 7.775 -0.902 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.913 8.003 -2.495 1.00 0.00 H new ATOM 0 HD1 PHE A 120 127.821 8.013 1.149 1.00 0.00 H new ATOM 0 HD2 PHE A 120 129.192 7.649 -2.871 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.048 7.330 1.956 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.397 6.981 -2.061 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.831 6.818 0.348 1.00 0.00 H new ATOM 1953 N LEU A 121 128.187 10.635 -3.083 1.00 0.00 N ATOM 1954 CA LEU A 121 129.324 11.357 -3.645 1.00 0.00 C ATOM 1955 C LEU A 121 129.275 12.837 -3.296 1.00 0.00 C ATOM 1956 O LEU A 121 130.303 13.488 -3.190 1.00 0.00 O ATOM 1957 CB LEU A 121 129.396 11.179 -5.167 1.00 0.00 C ATOM 1958 CG LEU A 121 129.601 9.750 -5.677 1.00 0.00 C ATOM 1959 CD1 LEU A 121 129.629 9.727 -7.194 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.883 9.154 -5.113 1.00 0.00 C ATOM 0 H LEU A 121 127.612 10.159 -3.778 1.00 0.00 H new ATOM 0 HA LEU A 121 130.223 10.931 -3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 121 128.474 11.567 -5.600 1.00 0.00 H new ATOM 0 HB3 LEU A 121 130.211 11.797 -5.545 1.00 0.00 H new ATOM 0 HG LEU A 121 128.763 9.143 -5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.776 8.704 -7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 121 128.684 10.109 -7.581 1.00 0.00 H new ATOM 0 HD13 LEU A 121 130.447 10.352 -7.552 1.00 0.00 H new ATOM 0 HD21 LEU A 121 131.008 8.138 -5.489 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.733 9.762 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.827 9.134 -4.025 1.00 0.00 H new ATOM 1972 N LYS A 122 128.080 13.360 -3.114 1.00 0.00 N ATOM 1973 CA LYS A 122 127.924 14.755 -2.769 1.00 0.00 C ATOM 1974 C LYS A 122 127.527 14.988 -1.311 1.00 0.00 C ATOM 1975 O LYS A 122 127.178 16.111 -0.928 1.00 0.00 O ATOM 1976 CB LYS A 122 126.974 15.444 -3.748 1.00 0.00 C ATOM 1977 CG LYS A 122 127.541 15.461 -5.153 1.00 0.00 C ATOM 1978 CD LYS A 122 128.878 16.187 -5.157 1.00 0.00 C ATOM 1979 CE LYS A 122 129.641 16.002 -6.451 1.00 0.00 C ATOM 1980 NZ LYS A 122 128.911 16.508 -7.633 1.00 0.00 N ATOM 0 H LYS A 122 127.206 12.841 -3.199 1.00 0.00 H new ATOM 0 HA LYS A 122 128.908 15.215 -2.864 1.00 0.00 H new ATOM 0 HB2 LYS A 122 126.014 14.929 -3.748 1.00 0.00 H new ATOM 0 HB3 LYS A 122 126.787 16.466 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 122 127.669 14.441 -5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 122 126.845 15.956 -5.830 1.00 0.00 H new ATOM 0 HD2 LYS A 122 128.709 17.251 -4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 122 129.485 15.825 -4.327 1.00 0.00 H new ATOM 0 HE2 LYS A 122 130.600 16.515 -6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 122 129.856 14.943 -6.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 129.491 16.369 -8.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 128.015 15.990 -7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 128.713 17.522 -7.511 1.00 0.00 H new ATOM 1994 N SER A 123 127.584 13.957 -0.484 1.00 0.00 N ATOM 1995 CA SER A 123 127.310 14.144 0.907 1.00 0.00 C ATOM 1996 C SER A 123 128.579 14.619 1.576 1.00 0.00 C ATOM 1997 O SER A 123 129.687 14.373 1.060 1.00 0.00 O ATOM 1998 CB SER A 123 126.855 12.828 1.549 1.00 0.00 C ATOM 1999 OG SER A 123 127.883 11.840 1.491 1.00 0.00 O ATOM 0 H SER A 123 127.815 13.002 -0.758 1.00 0.00 H new ATOM 0 HA SER A 123 126.512 14.877 1.028 1.00 0.00 H new ATOM 0 HB2 SER A 123 126.576 13.005 2.588 1.00 0.00 H new ATOM 0 HB3 SER A 123 125.965 12.460 1.038 1.00 0.00 H new ATOM 0 HG SER A 123 127.896 11.433 0.600 1.00 0.00 H new ATOM 2005 N ASP A 124 128.450 15.244 2.737 1.00 0.00 N ATOM 2006 CA ASP A 124 129.623 15.684 3.498 1.00 0.00 C ATOM 2007 C ASP A 124 130.414 14.455 3.947 1.00 0.00 C ATOM 2008 O ASP A 124 131.550 14.555 4.337 1.00 0.00 O ATOM 2009 CB ASP A 124 129.233 16.528 4.729 1.00 0.00 C ATOM 2010 CG ASP A 124 128.730 15.704 5.898 1.00 0.00 C ATOM 2011 OD1 ASP A 124 127.549 15.314 5.915 1.00 0.00 O ATOM 2012 OD2 ASP A 124 129.510 15.451 6.830 1.00 0.00 O ATOM 0 H ASP A 124 127.554 15.459 3.175 1.00 0.00 H new ATOM 0 HA ASP A 124 130.230 16.315 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 124 130.098 17.108 5.050 1.00 0.00 H new ATOM 0 HB3 ASP A 124 128.461 17.241 4.440 1.00 0.00 H new ATOM 2017 N ILE A 125 129.763 13.305 3.883 1.00 0.00 N ATOM 2018 CA ILE A 125 130.348 12.021 4.162 1.00 0.00 C ATOM 2019 C ILE A 125 131.490 11.723 3.162 1.00 0.00 C ATOM 2020 O ILE A 125 132.673 11.673 3.548 1.00 0.00 O ATOM 2021 CB ILE A 125 129.231 10.923 4.105 1.00 0.00 C ATOM 2022 CG1 ILE A 125 128.305 10.984 5.330 1.00 0.00 C ATOM 2023 CG2 ILE A 125 129.755 9.530 3.843 1.00 0.00 C ATOM 2024 CD1 ILE A 125 129.011 10.761 6.652 1.00 0.00 C ATOM 0 H ILE A 125 128.778 13.247 3.625 1.00 0.00 H new ATOM 0 HA ILE A 125 130.783 12.022 5.162 1.00 0.00 H new ATOM 0 HB ILE A 125 128.626 11.163 3.231 1.00 0.00 H new ATOM 0 HG12 ILE A 125 127.814 11.957 5.352 1.00 0.00 H new ATOM 0 HG13 ILE A 125 127.522 10.234 5.218 1.00 0.00 H new ATOM 0 HG21 ILE A 125 128.923 8.827 3.818 1.00 0.00 H new ATOM 0 HG22 ILE A 125 130.275 9.511 2.885 1.00 0.00 H new ATOM 0 HG23 ILE A 125 130.446 9.246 4.637 1.00 0.00 H new ATOM 0 HD11 ILE A 125 128.288 10.820 7.465 1.00 0.00 H new ATOM 0 HD12 ILE A 125 129.479 9.777 6.653 1.00 0.00 H new ATOM 0 HD13 ILE A 125 129.775 11.526 6.790 1.00 0.00 H new ATOM 2036 N TYR A 126 131.152 11.582 1.882 1.00 0.00 N ATOM 2037 CA TYR A 126 132.164 11.286 0.871 1.00 0.00 C ATOM 2038 C TYR A 126 133.071 12.482 0.637 1.00 0.00 C ATOM 2039 O TYR A 126 134.271 12.324 0.416 1.00 0.00 O ATOM 2040 CB TYR A 126 131.542 10.802 -0.439 1.00 0.00 C ATOM 2041 CG TYR A 126 132.553 10.445 -1.514 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.357 9.320 -1.390 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.697 11.226 -2.648 1.00 0.00 C ATOM 2044 CE1 TYR A 126 134.275 8.986 -2.357 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.610 10.902 -3.623 1.00 0.00 C ATOM 2046 CZ TYR A 126 134.400 9.785 -3.475 1.00 0.00 C ATOM 2047 OH TYR A 126 135.309 9.457 -4.458 1.00 0.00 O ATOM 0 H TYR A 126 130.201 11.666 1.524 1.00 0.00 H new ATOM 0 HA TYR A 126 132.774 10.469 1.258 1.00 0.00 H new ATOM 0 HB2 TYR A 126 130.923 9.928 -0.233 1.00 0.00 H new ATOM 0 HB3 TYR A 126 130.880 11.578 -0.822 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.259 8.694 -0.515 1.00 0.00 H new ATOM 0 HD2 TYR A 126 132.081 12.105 -2.769 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.892 8.107 -2.243 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.707 11.522 -4.502 1.00 0.00 H new ATOM 0 HH TYR A 126 135.854 8.699 -4.160 1.00 0.00 H new ATOM 2057 N LEU A 127 132.520 13.673 0.735 1.00 0.00 N ATOM 2058 CA LEU A 127 133.304 14.881 0.558 1.00 0.00 C ATOM 2059 C LEU A 127 134.322 15.058 1.698 1.00 0.00 C ATOM 2060 O LEU A 127 135.344 15.721 1.532 1.00 0.00 O ATOM 2061 CB LEU A 127 132.401 16.102 0.385 1.00 0.00 C ATOM 2062 CG LEU A 127 131.498 16.085 -0.854 1.00 0.00 C ATOM 2063 CD1 LEU A 127 130.601 17.305 -0.882 1.00 0.00 C ATOM 2064 CD2 LEU A 127 132.325 15.998 -2.131 1.00 0.00 C ATOM 0 H LEU A 127 131.533 13.833 0.936 1.00 0.00 H new ATOM 0 HA LEU A 127 133.880 14.781 -0.362 1.00 0.00 H new ATOM 0 HB2 LEU A 127 131.772 16.195 1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.028 16.993 0.344 1.00 0.00 H new ATOM 0 HG LEU A 127 130.868 15.197 -0.797 1.00 0.00 H new ATOM 0 HD11 LEU A 127 129.969 17.272 -1.770 1.00 0.00 H new ATOM 0 HD12 LEU A 127 129.974 17.316 0.010 1.00 0.00 H new ATOM 0 HD13 LEU A 127 131.213 18.206 -0.906 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.660 15.988 -2.995 1.00 0.00 H new ATOM 0 HD22 LEU A 127 132.989 16.860 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 127 132.918 15.084 -2.119 1.00 0.00 H new ATOM 2076 N ASP A 128 134.059 14.416 2.836 1.00 0.00 N ATOM 2077 CA ASP A 128 134.998 14.414 3.966 1.00 0.00 C ATOM 2078 C ASP A 128 136.118 13.435 3.681 1.00 0.00 C ATOM 2079 O ASP A 128 137.265 13.675 4.040 1.00 0.00 O ATOM 2080 CB ASP A 128 134.293 14.032 5.272 1.00 0.00 C ATOM 2081 CG ASP A 128 135.178 14.095 6.499 1.00 0.00 C ATOM 2082 OD1 ASP A 128 135.502 15.208 6.957 1.00 0.00 O ATOM 2083 OD2 ASP A 128 135.553 13.032 7.040 1.00 0.00 O ATOM 0 H ASP A 128 133.202 13.888 3.003 1.00 0.00 H new ATOM 0 HA ASP A 128 135.402 15.419 4.084 1.00 0.00 H new ATOM 0 HB2 ASP A 128 133.441 14.695 5.419 1.00 0.00 H new ATOM 0 HB3 ASP A 128 133.897 13.021 5.175 1.00 0.00 H new ATOM 2088 N LEU A 129 135.776 12.331 2.996 1.00 0.00 N ATOM 2089 CA LEU A 129 136.784 11.335 2.582 1.00 0.00 C ATOM 2090 C LEU A 129 137.684 11.984 1.543 1.00 0.00 C ATOM 2091 O LEU A 129 138.870 11.700 1.458 1.00 0.00 O ATOM 2092 CB LEU A 129 136.136 10.087 1.950 1.00 0.00 C ATOM 2093 CG LEU A 129 134.931 9.493 2.681 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.327 8.382 1.864 1.00 0.00 C ATOM 2095 CD2 LEU A 129 135.323 8.977 4.049 1.00 0.00 C ATOM 0 H LEU A 129 134.821 12.105 2.719 1.00 0.00 H new ATOM 0 HA LEU A 129 137.339 11.018 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 129 135.827 10.341 0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 129 136.899 9.313 1.867 1.00 0.00 H new ATOM 0 HG LEU A 129 134.192 10.283 2.815 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.470 7.966 2.393 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.003 8.774 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.070 7.601 1.706 1.00 0.00 H new ATOM 0 HD21 LEU A 129 134.447 8.560 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.082 8.202 3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 129 135.723 9.796 4.646 1.00 0.00 H new ATOM 2107 N MET A 130 137.076 12.847 0.734 1.00 0.00 N ATOM 2108 CA MET A 130 137.794 13.626 -0.255 1.00 0.00 C ATOM 2109 C MET A 130 138.686 14.617 0.442 1.00 0.00 C ATOM 2110 O MET A 130 139.880 14.739 0.125 1.00 0.00 O ATOM 2111 CB MET A 130 136.826 14.398 -1.180 1.00 0.00 C ATOM 2112 CG MET A 130 135.897 13.573 -2.086 1.00 0.00 C ATOM 2113 SD MET A 130 136.756 12.600 -3.347 1.00 0.00 S ATOM 2114 CE MET A 130 137.489 11.294 -2.368 1.00 0.00 C ATOM 0 H MET A 130 136.071 13.022 0.750 1.00 0.00 H new ATOM 0 HA MET A 130 138.381 12.937 -0.862 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.204 15.039 -0.555 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.421 15.054 -1.816 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.307 12.900 -1.464 1.00 0.00 H new ATOM 0 HG3 MET A 130 135.197 14.248 -2.579 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.575 11.375 -2.408 1.00 0.00 H new ATOM 0 HE2 MET A 130 137.156 11.384 -1.334 1.00 0.00 H new ATOM 0 HE3 MET A 130 137.183 10.326 -2.765 1.00 0.00 H new ATOM 2124 N GLU A 131 138.070 15.362 1.365 1.00 0.00 N ATOM 2125 CA GLU A 131 138.708 16.398 2.170 1.00 0.00 C ATOM 2126 C GLU A 131 138.998 17.649 1.305 1.00 0.00 C ATOM 2127 O GLU A 131 139.510 18.653 1.781 1.00 0.00 O ATOM 2128 CB GLU A 131 139.955 15.846 2.911 1.00 0.00 C ATOM 2129 CG GLU A 131 140.615 16.799 3.894 1.00 0.00 C ATOM 2130 CD GLU A 131 141.811 16.181 4.565 1.00 0.00 C ATOM 2131 OE1 GLU A 131 142.713 15.683 3.849 1.00 0.00 O ATOM 2132 OE2 GLU A 131 141.904 16.218 5.815 1.00 0.00 O ATOM 0 H GLU A 131 137.078 15.253 1.577 1.00 0.00 H new ATOM 0 HA GLU A 131 138.022 16.718 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 131 139.665 14.943 3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 131 140.695 15.551 2.167 1.00 0.00 H new ATOM 0 HG2 GLU A 131 140.921 17.705 3.370 1.00 0.00 H new ATOM 0 HG3 GLU A 131 139.890 17.098 4.651 1.00 0.00 H new ATOM 2139 N GLY A 132 138.616 17.577 0.032 1.00 0.00 N ATOM 2140 CA GLY A 132 138.739 18.707 -0.852 1.00 0.00 C ATOM 2141 C GLY A 132 137.696 19.718 -0.498 1.00 0.00 C ATOM 2142 O GLY A 132 137.945 20.916 -0.484 1.00 0.00 O ATOM 0 H GLY A 132 138.220 16.742 -0.400 1.00 0.00 H new ATOM 0 HA2 GLY A 132 139.733 19.146 -0.766 1.00 0.00 H new ATOM 0 HA3 GLY A 132 138.619 18.389 -1.888 1.00 0.00 H new ATOM 2146 N ARG A 133 136.514 19.232 -0.208 1.00 0.00 N ATOM 2147 CA ARG A 133 135.478 20.072 0.296 1.00 0.00 C ATOM 2148 C ARG A 133 134.856 19.481 1.562 1.00 0.00 C ATOM 2149 O ARG A 133 133.884 18.745 1.506 1.00 0.00 O ATOM 2150 CB ARG A 133 134.416 20.436 -0.761 1.00 0.00 C ATOM 2151 CG ARG A 133 133.299 21.313 -0.202 1.00 0.00 C ATOM 2152 CD ARG A 133 132.371 21.857 -1.272 1.00 0.00 C ATOM 2153 NE ARG A 133 131.711 20.821 -2.082 1.00 0.00 N ATOM 2154 CZ ARG A 133 130.384 20.662 -2.168 1.00 0.00 C ATOM 2155 NH1 ARG A 133 129.592 21.153 -1.215 1.00 0.00 N ATOM 2156 NH2 ARG A 133 129.860 19.937 -3.161 1.00 0.00 N ATOM 0 H ARG A 133 136.253 18.252 -0.316 1.00 0.00 H new ATOM 0 HA ARG A 133 135.949 21.017 0.566 1.00 0.00 H new ATOM 0 HB2 ARG A 133 134.898 20.955 -1.590 1.00 0.00 H new ATOM 0 HB3 ARG A 133 133.984 19.520 -1.166 1.00 0.00 H new ATOM 0 HG2 ARG A 133 132.716 20.734 0.515 1.00 0.00 H new ATOM 0 HG3 ARG A 133 133.740 22.146 0.345 1.00 0.00 H new ATOM 0 HD2 ARG A 133 131.607 22.472 -0.796 1.00 0.00 H new ATOM 0 HD3 ARG A 133 132.940 22.511 -1.933 1.00 0.00 H new ATOM 0 HE ARG A 133 132.303 20.182 -2.613 1.00 0.00 H new ATOM 0 HH11 ARG A 133 129.997 21.649 -0.421 1.00 0.00 H new ATOM 0 HH12 ARG A 133 128.581 21.032 -1.280 1.00 0.00 H new ATOM 0 HH21 ARG A 133 130.471 19.504 -3.854 1.00 0.00 H new ATOM 0 HH22 ARG A 133 128.849 19.816 -3.226 1.00 0.00 H new ATOM 2170 N PRO A 134 135.473 19.744 2.721 1.00 0.00 N ATOM 2171 CA PRO A 134 134.938 19.366 4.014 1.00 0.00 C ATOM 2172 C PRO A 134 134.259 20.587 4.628 1.00 0.00 C ATOM 2173 O PRO A 134 134.133 20.726 5.845 1.00 0.00 O ATOM 2174 CB PRO A 134 136.208 19.001 4.797 1.00 0.00 C ATOM 2175 CG PRO A 134 137.345 19.715 4.103 1.00 0.00 C ATOM 2176 CD PRO A 134 136.776 20.405 2.887 1.00 0.00 C ATOM 0 HA PRO A 134 134.204 18.561 3.994 1.00 0.00 H new ATOM 0 HB2 PRO A 134 136.128 19.314 5.838 1.00 0.00 H new ATOM 0 HB3 PRO A 134 136.368 17.923 4.800 1.00 0.00 H new ATOM 0 HG2 PRO A 134 137.808 20.440 4.773 1.00 0.00 H new ATOM 0 HG3 PRO A 134 138.122 19.007 3.813 1.00 0.00 H new ATOM 0 HD2 PRO A 134 136.669 21.478 3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 134 137.412 20.273 2.012 1.00 0.00 H new TER 2184 PRO A 134