USER MOD reduce.3.24.130724 H: found=0, std=0, add=1079, rem=0, adj=36 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 -9:sc= 1.24 USER MOD Set 1.2: A 130 MET CE :methyl -111:sc= -4.4! (180deg=-8.87!) USER MOD Set 2.1: A 99 HIS : no HE2:sc= 0.32 K(o=0.26,f=-5.2!) USER MOD Set 2.2: A 105 GLN : amide:sc= -0.0627 K(o=0.26,f=-4.2!) USER MOD Set 3.1: A 97 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 100 SER OG : rot -110:sc= 1.05 USER MOD Set 4.1: A 67 TYR OH : rot -86:sc= -0.541 USER MOD Set 4.2: A 72 GLN : amide:sc= -0.398 X(o=-0.94,f=-1.4) USER MOD Single : A 1 SER N :NH3+ -177:sc= 1.28 (180deg=1.16) USER MOD Single : A 1 SER OG : rot -24:sc= 1.24 USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 SER OG : rot 180:sc= -0.175 USER MOD Single : A 17 LYS NZ :NH3+ -163:sc= 1.11 (180deg=0.367) USER MOD Single : A 20 SER OG : rot 83:sc= 1.28 USER MOD Single : A 21 HIS : no HD1:sc= -0.635 K(o=-0.64,f=-5.7!) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.0418 USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 2.12 (180deg=1.95) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 155:sc= 0.871 USER MOD Single : A 40 ASN : amide:sc= 0.124 X(o=0.12,f=-0.23) USER MOD Single : A 47 CYS SG : rot 54:sc= -1.28! USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 78:sc= 1.27 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.261 K(o=-0.26,f=-0.94) USER MOD Single : A 60 HIS :FLIP no HE2:sc= 0.442 F(o=-1.4!,f=0.44) USER MOD Single : A 62 LYS NZ :NH3+ 149:sc= 1.26 (180deg=1.17) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0586) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ -172:sc= 1.26 (180deg=1.1) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 85 THR OG1 : rot 56:sc= 1.31 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot -42:sc= 1.26 USER MOD Single : A 91 ASN : amide:sc= 1.68 K(o=1.7,f=-0.12) USER MOD Single : A 92 SER OG : rot -36:sc= 0.349 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) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 56:sc= 1.27 USER MOD Single : A 110 GLN : amide:sc= -0.122 K(o=-0.12,f=-1.5!) USER MOD Single : A 112 MET CE :methyl -137:sc= -1.17 (180deg=-3.17) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 116 SER OG : rot -7:sc= 0.801 USER MOD Single : A 117 TYR OH : rot -1:sc= 0.805 USER MOD Single : A 118 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 122 LYS NZ :NH3+ 164:sc= -0.0401 (180deg=-0.314) USER MOD Single : A 123 SER OG : rot -64:sc= -0.63! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 136.870 3.270 8.530 1.00 0.00 N ATOM 2 CA SER A 1 137.190 3.337 7.126 1.00 0.00 C ATOM 3 C SER A 1 138.531 4.019 6.954 1.00 0.00 C ATOM 4 O SER A 1 138.662 5.225 7.145 1.00 0.00 O ATOM 5 CB SER A 1 136.112 4.127 6.381 1.00 0.00 C ATOM 6 OG SER A 1 134.798 3.634 6.664 1.00 0.00 O ATOM 0 H1 SER A 1 135.974 2.757 8.658 1.00 0.00 H new ATOM 0 H2 SER A 1 137.630 2.771 9.036 1.00 0.00 H new ATOM 0 H3 SER A 1 136.775 4.233 8.911 1.00 0.00 H new ATOM 0 HA SER A 1 137.235 2.328 6.716 1.00 0.00 H new ATOM 0 HB2 SER A 1 136.173 5.179 6.661 1.00 0.00 H new ATOM 0 HB3 SER A 1 136.297 4.072 5.308 1.00 0.00 H new ATOM 0 HG SER A 1 134.855 2.699 6.953 1.00 0.00 H new ATOM 14 N MET A 2 139.521 3.245 6.630 1.00 0.00 N ATOM 15 CA MET A 2 140.842 3.749 6.408 1.00 0.00 C ATOM 16 C MET A 2 141.044 3.859 4.915 1.00 0.00 C ATOM 17 O MET A 2 141.423 2.898 4.248 1.00 0.00 O ATOM 18 CB MET A 2 141.885 2.819 7.050 1.00 0.00 C ATOM 19 CG MET A 2 143.333 3.259 6.892 1.00 0.00 C ATOM 20 SD MET A 2 144.493 2.090 7.649 1.00 0.00 S ATOM 21 CE MET A 2 146.056 2.872 7.235 1.00 0.00 C ATOM 0 H MET A 2 139.434 2.236 6.511 1.00 0.00 H new ATOM 0 HA MET A 2 140.965 4.729 6.869 1.00 0.00 H new ATOM 0 HB2 MET A 2 141.663 2.731 8.114 1.00 0.00 H new ATOM 0 HB3 MET A 2 141.776 1.824 6.618 1.00 0.00 H new ATOM 0 HG2 MET A 2 143.565 3.363 5.832 1.00 0.00 H new ATOM 0 HG3 MET A 2 143.463 4.242 7.345 1.00 0.00 H new ATOM 0 HE1 MET A 2 146.878 2.275 7.631 1.00 0.00 H new ATOM 0 HE2 MET A 2 146.150 2.946 6.152 1.00 0.00 H new ATOM 0 HE3 MET A 2 146.090 3.870 7.671 1.00 0.00 H new ATOM 31 N VAL A 3 140.691 4.987 4.380 1.00 0.00 N ATOM 32 CA VAL A 3 140.765 5.199 2.962 1.00 0.00 C ATOM 33 C VAL A 3 141.447 6.522 2.638 1.00 0.00 C ATOM 34 O VAL A 3 141.097 7.587 3.182 1.00 0.00 O ATOM 35 CB VAL A 3 139.351 5.105 2.291 1.00 0.00 C ATOM 36 CG1 VAL A 3 138.375 6.082 2.914 1.00 0.00 C ATOM 37 CG2 VAL A 3 139.432 5.345 0.795 1.00 0.00 C ATOM 0 H VAL A 3 140.344 5.787 4.910 1.00 0.00 H new ATOM 0 HA VAL A 3 141.376 4.400 2.542 1.00 0.00 H new ATOM 0 HB VAL A 3 138.986 4.092 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 3 137.405 5.990 2.425 1.00 0.00 H new ATOM 0 HG12 VAL A 3 138.268 5.862 3.976 1.00 0.00 H new ATOM 0 HG13 VAL A 3 138.749 7.098 2.790 1.00 0.00 H new ATOM 0 HG21 VAL A 3 138.435 5.273 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 3 139.839 6.339 0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 3 140.081 4.596 0.341 1.00 0.00 H new ATOM 47 N SER A 4 142.444 6.439 1.815 1.00 0.00 N ATOM 48 CA SER A 4 143.146 7.586 1.347 1.00 0.00 C ATOM 49 C SER A 4 142.311 8.257 0.257 1.00 0.00 C ATOM 50 O SER A 4 141.541 7.581 -0.433 1.00 0.00 O ATOM 51 CB SER A 4 144.498 7.134 0.832 1.00 0.00 C ATOM 52 OG SER A 4 145.162 6.329 1.818 1.00 0.00 O ATOM 0 H SER A 4 142.797 5.557 1.445 1.00 0.00 H new ATOM 0 HA SER A 4 143.308 8.315 2.141 1.00 0.00 H new ATOM 0 HB2 SER A 4 144.372 6.564 -0.088 1.00 0.00 H new ATOM 0 HB3 SER A 4 145.111 8.002 0.588 1.00 0.00 H new ATOM 0 HG SER A 4 146.033 6.042 1.473 1.00 0.00 H new ATOM 58 N PRO A 5 142.435 9.584 0.092 1.00 0.00 N ATOM 59 CA PRO A 5 141.633 10.362 -0.872 1.00 0.00 C ATOM 60 C PRO A 5 141.710 9.827 -2.297 1.00 0.00 C ATOM 61 O PRO A 5 140.757 9.937 -3.055 1.00 0.00 O ATOM 62 CB PRO A 5 142.251 11.757 -0.798 1.00 0.00 C ATOM 63 CG PRO A 5 142.825 11.827 0.562 1.00 0.00 C ATOM 64 CD PRO A 5 143.360 10.459 0.844 1.00 0.00 C ATOM 0 HA PRO A 5 140.572 10.325 -0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 5 143.017 11.894 -1.561 1.00 0.00 H new ATOM 0 HB3 PRO A 5 141.502 12.533 -0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 5 143.615 12.576 0.616 1.00 0.00 H new ATOM 0 HG3 PRO A 5 142.068 12.110 1.293 1.00 0.00 H new ATOM 0 HD2 PRO A 5 144.389 10.349 0.502 1.00 0.00 H new ATOM 0 HD3 PRO A 5 143.353 10.234 1.910 1.00 0.00 H new ATOM 72 N GLU A 6 142.817 9.202 -2.632 1.00 0.00 N ATOM 73 CA GLU A 6 143.019 8.679 -3.984 1.00 0.00 C ATOM 74 C GLU A 6 142.193 7.408 -4.148 1.00 0.00 C ATOM 75 O GLU A 6 141.513 7.194 -5.157 1.00 0.00 O ATOM 76 CB GLU A 6 144.499 8.360 -4.261 1.00 0.00 C ATOM 77 CG GLU A 6 145.501 9.471 -3.945 1.00 0.00 C ATOM 78 CD GLU A 6 145.712 9.688 -2.460 1.00 0.00 C ATOM 79 OE1 GLU A 6 145.457 8.750 -1.671 1.00 0.00 O ATOM 80 OE2 GLU A 6 146.172 10.771 -2.060 1.00 0.00 O ATOM 0 H GLU A 6 143.596 9.039 -1.994 1.00 0.00 H new ATOM 0 HA GLU A 6 142.704 9.443 -4.695 1.00 0.00 H new ATOM 0 HB2 GLU A 6 144.773 7.477 -3.683 1.00 0.00 H new ATOM 0 HB3 GLU A 6 144.601 8.096 -5.314 1.00 0.00 H new ATOM 0 HG2 GLU A 6 146.458 9.230 -4.409 1.00 0.00 H new ATOM 0 HG3 GLU A 6 145.154 10.401 -4.395 1.00 0.00 H new ATOM 87 N GLU A 7 142.218 6.601 -3.113 1.00 0.00 N ATOM 88 CA GLU A 7 141.469 5.366 -3.054 1.00 0.00 C ATOM 89 C GLU A 7 139.973 5.709 -3.068 1.00 0.00 C ATOM 90 O GLU A 7 139.149 5.002 -3.662 1.00 0.00 O ATOM 91 CB GLU A 7 141.835 4.640 -1.752 1.00 0.00 C ATOM 92 CG GLU A 7 141.120 3.326 -1.519 1.00 0.00 C ATOM 93 CD GLU A 7 141.627 2.203 -2.367 1.00 0.00 C ATOM 94 OE1 GLU A 7 141.522 2.262 -3.594 1.00 0.00 O ATOM 95 OE2 GLU A 7 142.124 1.218 -1.796 1.00 0.00 O ATOM 0 H GLU A 7 142.768 6.787 -2.274 1.00 0.00 H new ATOM 0 HA GLU A 7 141.701 4.723 -3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 7 142.909 4.455 -1.748 1.00 0.00 H new ATOM 0 HB3 GLU A 7 141.623 5.304 -0.914 1.00 0.00 H new ATOM 0 HG2 GLU A 7 141.220 3.050 -0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 7 140.056 3.463 -1.712 1.00 0.00 H new ATOM 102 N ALA A 8 139.653 6.818 -2.429 1.00 0.00 N ATOM 103 CA ALA A 8 138.307 7.308 -2.346 1.00 0.00 C ATOM 104 C ALA A 8 137.819 7.886 -3.694 1.00 0.00 C ATOM 105 O ALA A 8 136.689 7.637 -4.074 1.00 0.00 O ATOM 106 CB ALA A 8 138.166 8.299 -1.183 1.00 0.00 C ATOM 0 H ALA A 8 140.336 7.405 -1.950 1.00 0.00 H new ATOM 0 HA ALA A 8 137.648 6.466 -2.133 1.00 0.00 H new ATOM 0 HB1 ALA A 8 137.139 8.660 -1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 8 138.419 7.800 -0.247 1.00 0.00 H new ATOM 0 HB3 ALA A 8 138.840 9.141 -1.339 1.00 0.00 H new ATOM 112 N VAL A 9 138.680 8.644 -4.438 1.00 0.00 N ATOM 113 CA VAL A 9 138.269 9.173 -5.777 1.00 0.00 C ATOM 114 C VAL A 9 137.958 8.039 -6.747 1.00 0.00 C ATOM 115 O VAL A 9 137.187 8.209 -7.699 1.00 0.00 O ATOM 116 CB VAL A 9 139.280 10.178 -6.467 1.00 0.00 C ATOM 117 CG1 VAL A 9 139.533 11.411 -5.636 1.00 0.00 C ATOM 118 CG2 VAL A 9 140.587 9.521 -6.876 1.00 0.00 C ATOM 0 H VAL A 9 139.626 8.895 -4.149 1.00 0.00 H new ATOM 0 HA VAL A 9 137.376 9.756 -5.553 1.00 0.00 H new ATOM 0 HB VAL A 9 138.782 10.497 -7.383 1.00 0.00 H new ATOM 0 HG11 VAL A 9 140.233 12.064 -6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 9 138.594 11.940 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 9 139.955 11.121 -4.674 1.00 0.00 H new ATOM 0 HG21 VAL A 9 141.236 10.262 -7.343 1.00 0.00 H new ATOM 0 HG22 VAL A 9 141.080 9.111 -5.994 1.00 0.00 H new ATOM 0 HG23 VAL A 9 140.384 8.718 -7.585 1.00 0.00 H new ATOM 128 N LYS A 10 138.567 6.881 -6.510 1.00 0.00 N ATOM 129 CA LYS A 10 138.267 5.696 -7.301 1.00 0.00 C ATOM 130 C LYS A 10 136.782 5.333 -7.163 1.00 0.00 C ATOM 131 O LYS A 10 136.127 5.004 -8.132 1.00 0.00 O ATOM 132 CB LYS A 10 139.135 4.511 -6.869 1.00 0.00 C ATOM 133 CG LYS A 10 140.632 4.731 -7.023 1.00 0.00 C ATOM 134 CD LYS A 10 141.031 4.925 -8.475 1.00 0.00 C ATOM 135 CE LYS A 10 142.526 5.170 -8.609 1.00 0.00 C ATOM 136 NZ LYS A 10 142.934 5.325 -10.019 1.00 0.00 N ATOM 0 H LYS A 10 139.266 6.740 -5.781 1.00 0.00 H new ATOM 0 HA LYS A 10 138.489 5.920 -8.344 1.00 0.00 H new ATOM 0 HB2 LYS A 10 138.921 4.282 -5.825 1.00 0.00 H new ATOM 0 HB3 LYS A 10 138.848 3.636 -7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 10 140.932 5.605 -6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 10 141.169 3.877 -6.610 1.00 0.00 H new ATOM 0 HD2 LYS A 10 140.752 4.044 -9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 10 140.483 5.768 -8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 10 142.798 6.066 -8.052 1.00 0.00 H new ATOM 0 HE3 LYS A 10 143.072 4.339 -8.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 143.960 5.490 -10.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 142.697 4.460 -10.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 142.433 6.134 -10.439 1.00 0.00 H new ATOM 150 N TRP A 11 136.259 5.484 -5.961 1.00 0.00 N ATOM 151 CA TRP A 11 134.869 5.134 -5.630 1.00 0.00 C ATOM 152 C TRP A 11 133.864 5.964 -6.403 1.00 0.00 C ATOM 153 O TRP A 11 132.786 5.492 -6.698 1.00 0.00 O ATOM 154 CB TRP A 11 134.599 5.320 -4.129 1.00 0.00 C ATOM 155 CG TRP A 11 135.429 4.457 -3.239 1.00 0.00 C ATOM 156 CD1 TRP A 11 136.197 3.405 -3.610 1.00 0.00 C ATOM 157 CD2 TRP A 11 135.540 4.553 -1.818 1.00 0.00 C ATOM 158 NE1 TRP A 11 136.808 2.861 -2.521 1.00 0.00 N ATOM 159 CE2 TRP A 11 136.413 3.541 -1.406 1.00 0.00 C ATOM 160 CE3 TRP A 11 134.989 5.405 -0.852 1.00 0.00 C ATOM 161 CZ2 TRP A 11 136.751 3.352 -0.079 1.00 0.00 C ATOM 162 CZ3 TRP A 11 135.323 5.207 0.472 1.00 0.00 C ATOM 163 CH2 TRP A 11 136.194 4.190 0.844 1.00 0.00 C ATOM 0 H TRP A 11 136.784 5.857 -5.170 1.00 0.00 H new ATOM 0 HA TRP A 11 134.747 4.087 -5.909 1.00 0.00 H new ATOM 0 HB2 TRP A 11 134.774 6.364 -3.868 1.00 0.00 H new ATOM 0 HB3 TRP A 11 133.546 5.115 -3.934 1.00 0.00 H new ATOM 0 HD1 TRP A 11 136.309 3.049 -4.623 1.00 0.00 H new ATOM 0 HE1 TRP A 11 137.456 2.073 -2.537 1.00 0.00 H new ATOM 0 HE3 TRP A 11 134.317 6.200 -1.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 137.432 2.568 0.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 134.902 5.851 1.230 1.00 0.00 H new ATOM 0 HH2 TRP A 11 136.436 4.059 1.888 1.00 0.00 H new ATOM 174 N GLY A 12 134.257 7.178 -6.778 1.00 0.00 N ATOM 175 CA GLY A 12 133.346 8.110 -7.427 1.00 0.00 C ATOM 176 C GLY A 12 132.900 7.673 -8.810 1.00 0.00 C ATOM 177 O GLY A 12 131.840 8.112 -9.308 1.00 0.00 O ATOM 0 H GLY A 12 135.202 7.538 -6.642 1.00 0.00 H new ATOM 0 HA2 GLY A 12 132.466 8.241 -6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 12 133.831 9.083 -7.503 1.00 0.00 H new ATOM 181 N GLU A 13 133.654 6.787 -9.423 1.00 0.00 N ATOM 182 CA GLU A 13 133.339 6.356 -10.761 1.00 0.00 C ATOM 183 C GLU A 13 132.352 5.187 -10.757 1.00 0.00 C ATOM 184 O GLU A 13 131.575 5.027 -11.695 1.00 0.00 O ATOM 185 CB GLU A 13 134.600 5.969 -11.531 1.00 0.00 C ATOM 186 CG GLU A 13 135.277 4.728 -11.001 1.00 0.00 C ATOM 187 CD GLU A 13 136.492 4.347 -11.763 1.00 0.00 C ATOM 188 OE1 GLU A 13 136.365 3.921 -12.919 1.00 0.00 O ATOM 189 OE2 GLU A 13 137.601 4.401 -11.194 1.00 0.00 O ATOM 0 H GLU A 13 134.484 6.355 -9.017 1.00 0.00 H new ATOM 0 HA GLU A 13 132.869 7.201 -11.264 1.00 0.00 H new ATOM 0 HB2 GLU A 13 134.342 5.812 -12.578 1.00 0.00 H new ATOM 0 HB3 GLU A 13 135.305 6.800 -11.497 1.00 0.00 H new ATOM 0 HG2 GLU A 13 135.547 4.889 -9.957 1.00 0.00 H new ATOM 0 HG3 GLU A 13 134.569 3.900 -11.023 1.00 0.00 H new ATOM 196 N SER A 14 132.349 4.387 -9.709 1.00 0.00 N ATOM 197 CA SER A 14 131.518 3.202 -9.694 1.00 0.00 C ATOM 198 C SER A 14 131.157 2.778 -8.273 1.00 0.00 C ATOM 199 O SER A 14 132.043 2.467 -7.453 1.00 0.00 O ATOM 200 CB SER A 14 132.229 2.042 -10.423 1.00 0.00 C ATOM 201 OG SER A 14 132.576 2.399 -11.761 1.00 0.00 O ATOM 0 H SER A 14 132.906 4.534 -8.867 1.00 0.00 H new ATOM 0 HA SER A 14 130.592 3.446 -10.214 1.00 0.00 H new ATOM 0 HB2 SER A 14 133.129 1.764 -9.875 1.00 0.00 H new ATOM 0 HB3 SER A 14 131.580 1.167 -10.436 1.00 0.00 H new ATOM 0 HG SER A 14 133.026 1.644 -12.195 1.00 0.00 H new ATOM 207 N PHE A 15 129.855 2.721 -8.012 1.00 0.00 N ATOM 208 CA PHE A 15 129.297 2.293 -6.734 1.00 0.00 C ATOM 209 C PHE A 15 129.769 0.882 -6.422 1.00 0.00 C ATOM 210 O PHE A 15 130.018 0.547 -5.284 1.00 0.00 O ATOM 211 CB PHE A 15 127.748 2.372 -6.791 1.00 0.00 C ATOM 212 CG PHE A 15 127.005 1.951 -5.531 1.00 0.00 C ATOM 213 CD1 PHE A 15 127.384 2.414 -4.283 1.00 0.00 C ATOM 214 CD2 PHE A 15 125.908 1.116 -5.612 1.00 0.00 C ATOM 215 CE1 PHE A 15 126.687 2.045 -3.148 1.00 0.00 C ATOM 216 CE2 PHE A 15 125.210 0.744 -4.481 1.00 0.00 C ATOM 217 CZ PHE A 15 125.601 1.209 -3.251 1.00 0.00 C ATOM 0 H PHE A 15 129.144 2.976 -8.697 1.00 0.00 H new ATOM 0 HA PHE A 15 129.641 2.951 -5.936 1.00 0.00 H new ATOM 0 HB2 PHE A 15 127.466 3.398 -7.028 1.00 0.00 H new ATOM 0 HB3 PHE A 15 127.404 1.748 -7.616 1.00 0.00 H new ATOM 0 HD1 PHE A 15 128.236 3.072 -4.195 1.00 0.00 H new ATOM 0 HD2 PHE A 15 125.591 0.748 -6.577 1.00 0.00 H new ATOM 0 HE1 PHE A 15 126.996 2.413 -2.181 1.00 0.00 H new ATOM 0 HE2 PHE A 15 124.357 0.087 -4.564 1.00 0.00 H new ATOM 0 HZ PHE A 15 125.056 0.919 -2.365 1.00 0.00 H new ATOM 227 N ASP A 16 129.938 0.089 -7.463 1.00 0.00 N ATOM 228 CA ASP A 16 130.439 -1.274 -7.342 1.00 0.00 C ATOM 229 C ASP A 16 131.827 -1.331 -6.676 1.00 0.00 C ATOM 230 O ASP A 16 132.022 -2.114 -5.758 1.00 0.00 O ATOM 231 CB ASP A 16 130.453 -1.974 -8.706 1.00 0.00 C ATOM 232 CG ASP A 16 131.133 -3.335 -8.698 1.00 0.00 C ATOM 233 OD1 ASP A 16 130.465 -4.364 -8.434 1.00 0.00 O ATOM 234 OD2 ASP A 16 132.346 -3.398 -8.977 1.00 0.00 O ATOM 0 H ASP A 16 129.732 0.370 -8.422 1.00 0.00 H new ATOM 0 HA ASP A 16 129.752 -1.810 -6.687 1.00 0.00 H new ATOM 0 HB2 ASP A 16 129.426 -2.095 -9.051 1.00 0.00 H new ATOM 0 HB3 ASP A 16 130.958 -1.331 -9.427 1.00 0.00 H new ATOM 239 N LYS A 17 132.776 -0.471 -7.080 1.00 0.00 N ATOM 240 CA LYS A 17 134.119 -0.538 -6.472 1.00 0.00 C ATOM 241 C LYS A 17 134.133 0.126 -5.107 1.00 0.00 C ATOM 242 O LYS A 17 135.001 -0.149 -4.282 1.00 0.00 O ATOM 243 CB LYS A 17 135.254 0.009 -7.364 1.00 0.00 C ATOM 244 CG LYS A 17 135.170 1.486 -7.707 1.00 0.00 C ATOM 245 CD LYS A 17 136.444 1.976 -8.397 1.00 0.00 C ATOM 246 CE LYS A 17 136.702 1.267 -9.719 1.00 0.00 C ATOM 247 NZ LYS A 17 137.898 1.794 -10.417 1.00 0.00 N ATOM 0 H LYS A 17 132.651 0.249 -7.792 1.00 0.00 H new ATOM 0 HA LYS A 17 134.329 -1.601 -6.357 1.00 0.00 H new ATOM 0 HB2 LYS A 17 136.205 -0.175 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 17 135.267 -0.561 -8.293 1.00 0.00 H new ATOM 0 HG2 LYS A 17 134.313 1.661 -8.357 1.00 0.00 H new ATOM 0 HG3 LYS A 17 135.003 2.063 -6.797 1.00 0.00 H new ATOM 0 HD2 LYS A 17 136.368 3.049 -8.573 1.00 0.00 H new ATOM 0 HD3 LYS A 17 137.295 1.821 -7.734 1.00 0.00 H new ATOM 0 HE2 LYS A 17 136.831 0.200 -9.537 1.00 0.00 H new ATOM 0 HE3 LYS A 17 135.830 1.377 -10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 137.875 1.501 -11.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 137.903 2.832 -10.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 138.757 1.419 -9.966 1.00 0.00 H new ATOM 261 N LEU A 18 133.182 1.006 -4.887 1.00 0.00 N ATOM 262 CA LEU A 18 132.966 1.614 -3.585 1.00 0.00 C ATOM 263 C LEU A 18 132.522 0.536 -2.614 1.00 0.00 C ATOM 264 O LEU A 18 133.126 0.310 -1.566 1.00 0.00 O ATOM 265 CB LEU A 18 131.850 2.681 -3.710 1.00 0.00 C ATOM 266 CG LEU A 18 131.150 3.129 -2.408 1.00 0.00 C ATOM 267 CD1 LEU A 18 132.103 3.802 -1.462 1.00 0.00 C ATOM 268 CD2 LEU A 18 129.986 4.041 -2.715 1.00 0.00 C ATOM 0 H LEU A 18 132.532 1.324 -5.606 1.00 0.00 H new ATOM 0 HA LEU A 18 133.884 2.081 -3.228 1.00 0.00 H new ATOM 0 HB2 LEU A 18 132.279 3.564 -4.184 1.00 0.00 H new ATOM 0 HB3 LEU A 18 131.088 2.295 -4.387 1.00 0.00 H new ATOM 0 HG LEU A 18 130.776 2.231 -1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 18 131.570 4.101 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 18 132.903 3.110 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 18 132.529 4.684 -1.941 1.00 0.00 H new ATOM 0 HD21 LEU A 18 129.507 4.345 -1.784 1.00 0.00 H new ATOM 0 HD22 LEU A 18 130.345 4.924 -3.244 1.00 0.00 H new ATOM 0 HD23 LEU A 18 129.265 3.513 -3.339 1.00 0.00 H new ATOM 280 N LEU A 19 131.513 -0.155 -3.038 1.00 0.00 N ATOM 281 CA LEU A 19 130.811 -1.132 -2.272 1.00 0.00 C ATOM 282 C LEU A 19 131.640 -2.405 -2.062 1.00 0.00 C ATOM 283 O LEU A 19 131.507 -3.078 -1.044 1.00 0.00 O ATOM 284 CB LEU A 19 129.549 -1.432 -3.038 1.00 0.00 C ATOM 285 CG LEU A 19 128.373 -1.946 -2.277 1.00 0.00 C ATOM 286 CD1 LEU A 19 128.012 -0.953 -1.162 1.00 0.00 C ATOM 287 CD2 LEU A 19 127.225 -2.095 -3.257 1.00 0.00 C ATOM 0 H LEU A 19 131.137 -0.046 -3.980 1.00 0.00 H new ATOM 0 HA LEU A 19 130.596 -0.753 -1.273 1.00 0.00 H new ATOM 0 HB2 LEU A 19 129.243 -0.519 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 19 129.792 -2.162 -3.810 1.00 0.00 H new ATOM 0 HG LEU A 19 128.592 -2.908 -1.813 1.00 0.00 H new ATOM 0 HD11 LEU A 19 127.153 -1.327 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 19 128.860 -0.840 -0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 19 127.766 0.014 -1.601 1.00 0.00 H new ATOM 0 HD21 LEU A 19 126.346 -2.470 -2.733 1.00 0.00 H new ATOM 0 HD22 LEU A 19 126.997 -1.126 -3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 19 127.506 -2.796 -4.043 1.00 0.00 H new ATOM 299 N SER A 20 132.490 -2.726 -3.019 1.00 0.00 N ATOM 300 CA SER A 20 133.335 -3.907 -2.910 1.00 0.00 C ATOM 301 C SER A 20 134.549 -3.637 -2.019 1.00 0.00 C ATOM 302 O SER A 20 135.257 -4.561 -1.615 1.00 0.00 O ATOM 303 CB SER A 20 133.773 -4.382 -4.289 1.00 0.00 C ATOM 304 OG SER A 20 132.637 -4.610 -5.119 1.00 0.00 O ATOM 0 H SER A 20 132.616 -2.190 -3.878 1.00 0.00 H new ATOM 0 HA SER A 20 132.748 -4.698 -2.444 1.00 0.00 H new ATOM 0 HB2 SER A 20 134.423 -3.637 -4.748 1.00 0.00 H new ATOM 0 HB3 SER A 20 134.354 -5.299 -4.197 1.00 0.00 H new ATOM 0 HG SER A 20 132.346 -3.762 -5.516 1.00 0.00 H new ATOM 310 N HIS A 21 134.766 -2.384 -1.689 1.00 0.00 N ATOM 311 CA HIS A 21 135.863 -2.012 -0.834 1.00 0.00 C ATOM 312 C HIS A 21 135.258 -1.995 0.538 1.00 0.00 C ATOM 313 O HIS A 21 134.290 -1.293 0.735 1.00 0.00 O ATOM 314 CB HIS A 21 136.351 -0.589 -1.192 1.00 0.00 C ATOM 315 CG HIS A 21 137.782 -0.290 -0.844 1.00 0.00 C ATOM 316 ND1 HIS A 21 138.166 0.499 0.218 1.00 0.00 N ATOM 317 CD2 HIS A 21 138.927 -0.631 -1.475 1.00 0.00 C ATOM 318 CE1 HIS A 21 139.478 0.620 0.217 1.00 0.00 C ATOM 319 NE2 HIS A 21 139.955 -0.054 -0.796 1.00 0.00 N ATOM 0 H HIS A 21 134.191 -1.603 -2.004 1.00 0.00 H new ATOM 0 HA HIS A 21 136.715 -2.687 -0.924 1.00 0.00 H new ATOM 0 HB2 HIS A 21 136.216 -0.436 -2.263 1.00 0.00 H new ATOM 0 HB3 HIS A 21 135.713 0.134 -0.684 1.00 0.00 H new ATOM 0 HD2 HIS A 21 139.011 -1.249 -2.357 1.00 0.00 H new ATOM 0 HE1 HIS A 21 140.061 1.181 0.932 1.00 0.00 H new ATOM 0 HE2 HIS A 21 140.942 -0.135 -1.039 1.00 0.00 H new ATOM 328 N ARG A 22 135.781 -2.754 1.473 1.00 0.00 N ATOM 329 CA ARG A 22 135.162 -2.833 2.805 1.00 0.00 C ATOM 330 C ARG A 22 135.088 -1.459 3.476 1.00 0.00 C ATOM 331 O ARG A 22 134.087 -1.115 4.087 1.00 0.00 O ATOM 332 CB ARG A 22 135.869 -3.859 3.686 1.00 0.00 C ATOM 333 CG ARG A 22 135.251 -4.025 5.063 1.00 0.00 C ATOM 334 CD ARG A 22 135.885 -5.174 5.811 1.00 0.00 C ATOM 335 NE ARG A 22 135.650 -6.463 5.139 1.00 0.00 N ATOM 336 CZ ARG A 22 136.030 -7.650 5.606 1.00 0.00 C ATOM 337 NH1 ARG A 22 136.673 -7.738 6.767 1.00 0.00 N ATOM 338 NH2 ARG A 22 135.765 -8.750 4.906 1.00 0.00 N ATOM 0 H ARG A 22 136.620 -3.322 1.354 1.00 0.00 H new ATOM 0 HA ARG A 22 134.136 -3.175 2.670 1.00 0.00 H new ATOM 0 HB2 ARG A 22 135.863 -4.824 3.178 1.00 0.00 H new ATOM 0 HB3 ARG A 22 136.913 -3.566 3.801 1.00 0.00 H new ATOM 0 HG2 ARG A 22 135.374 -3.104 5.633 1.00 0.00 H new ATOM 0 HG3 ARG A 22 134.179 -4.198 4.965 1.00 0.00 H new ATOM 0 HD2 ARG A 22 136.958 -5.001 5.900 1.00 0.00 H new ATOM 0 HD3 ARG A 22 135.483 -5.214 6.823 1.00 0.00 H new ATOM 0 HE ARG A 22 135.158 -6.445 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 22 136.876 -6.894 7.303 1.00 0.00 H new ATOM 0 HH12 ARG A 22 136.963 -8.649 7.122 1.00 0.00 H new ATOM 0 HH21 ARG A 22 135.273 -8.681 4.015 1.00 0.00 H new ATOM 0 HH22 ARG A 22 136.054 -9.662 5.260 1.00 0.00 H new ATOM 352 N ASP A 23 136.119 -0.656 3.293 1.00 0.00 N ATOM 353 CA ASP A 23 136.133 0.711 3.834 1.00 0.00 C ATOM 354 C ASP A 23 135.119 1.596 3.116 1.00 0.00 C ATOM 355 O ASP A 23 134.680 2.596 3.648 1.00 0.00 O ATOM 356 CB ASP A 23 137.527 1.361 3.748 1.00 0.00 C ATOM 357 CG ASP A 23 138.565 0.683 4.611 1.00 0.00 C ATOM 358 OD1 ASP A 23 138.522 0.841 5.846 1.00 0.00 O ATOM 359 OD2 ASP A 23 139.434 -0.025 4.063 1.00 0.00 O ATOM 0 H ASP A 23 136.960 -0.915 2.777 1.00 0.00 H new ATOM 0 HA ASP A 23 135.862 0.626 4.886 1.00 0.00 H new ATOM 0 HB2 ASP A 23 137.862 1.345 2.711 1.00 0.00 H new ATOM 0 HB3 ASP A 23 137.449 2.408 4.042 1.00 0.00 H new ATOM 364 N GLY A 24 134.739 1.207 1.910 1.00 0.00 N ATOM 365 CA GLY A 24 133.793 1.994 1.147 1.00 0.00 C ATOM 366 C GLY A 24 132.408 1.572 1.434 1.00 0.00 C ATOM 367 O GLY A 24 131.513 2.398 1.562 1.00 0.00 O ATOM 0 H GLY A 24 135.068 0.361 1.445 1.00 0.00 H new ATOM 0 HA2 GLY A 24 133.914 3.050 1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 24 133.998 1.885 0.082 1.00 0.00 H new ATOM 371 N LEU A 25 132.236 0.277 1.540 1.00 0.00 N ATOM 372 CA LEU A 25 131.005 -0.309 1.977 1.00 0.00 C ATOM 373 C LEU A 25 130.644 0.258 3.327 1.00 0.00 C ATOM 374 O LEU A 25 129.509 0.598 3.572 1.00 0.00 O ATOM 375 CB LEU A 25 131.134 -1.855 1.984 1.00 0.00 C ATOM 376 CG LEU A 25 130.355 -2.649 3.048 1.00 0.00 C ATOM 377 CD1 LEU A 25 129.985 -4.015 2.500 1.00 0.00 C ATOM 378 CD2 LEU A 25 131.238 -2.842 4.292 1.00 0.00 C ATOM 0 H LEU A 25 132.962 -0.405 1.320 1.00 0.00 H new ATOM 0 HA LEU A 25 130.193 -0.065 1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 25 130.823 -2.219 1.005 1.00 0.00 H new ATOM 0 HB3 LEU A 25 132.190 -2.100 2.094 1.00 0.00 H new ATOM 0 HG LEU A 25 129.452 -2.099 3.311 1.00 0.00 H new ATOM 0 HD11 LEU A 25 129.434 -4.573 3.257 1.00 0.00 H new ATOM 0 HD12 LEU A 25 129.363 -3.895 1.613 1.00 0.00 H new ATOM 0 HD13 LEU A 25 130.892 -4.559 2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 25 130.687 -3.404 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 25 132.139 -3.390 4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 25 131.515 -1.868 4.696 1.00 0.00 H new ATOM 390 N GLU A 26 131.651 0.409 4.163 1.00 0.00 N ATOM 391 CA GLU A 26 131.492 0.976 5.460 1.00 0.00 C ATOM 392 C GLU A 26 131.209 2.486 5.380 1.00 0.00 C ATOM 393 O GLU A 26 130.384 2.996 6.146 1.00 0.00 O ATOM 394 CB GLU A 26 132.704 0.656 6.311 1.00 0.00 C ATOM 395 CG GLU A 26 132.647 1.214 7.722 1.00 0.00 C ATOM 396 CD GLU A 26 133.887 0.916 8.499 1.00 0.00 C ATOM 397 OE1 GLU A 26 134.955 1.483 8.181 1.00 0.00 O ATOM 398 OE2 GLU A 26 133.829 0.128 9.455 1.00 0.00 O ATOM 0 H GLU A 26 132.609 0.134 3.946 1.00 0.00 H new ATOM 0 HA GLU A 26 130.621 0.530 5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 26 132.818 -0.427 6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 26 133.593 1.045 5.815 1.00 0.00 H new ATOM 0 HG2 GLU A 26 132.499 2.293 7.678 1.00 0.00 H new ATOM 0 HG3 GLU A 26 131.785 0.795 8.242 1.00 0.00 H new ATOM 405 N ALA A 27 131.851 3.193 4.427 1.00 0.00 N ATOM 406 CA ALA A 27 131.586 4.628 4.260 1.00 0.00 C ATOM 407 C ALA A 27 130.120 4.820 3.859 1.00 0.00 C ATOM 408 O ALA A 27 129.399 5.648 4.435 1.00 0.00 O ATOM 409 CB ALA A 27 132.525 5.267 3.209 1.00 0.00 C ATOM 0 H ALA A 27 132.537 2.803 3.780 1.00 0.00 H new ATOM 0 HA ALA A 27 131.780 5.131 5.208 1.00 0.00 H new ATOM 0 HB1 ALA A 27 132.297 6.329 3.115 1.00 0.00 H new ATOM 0 HB2 ALA A 27 133.561 5.145 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 27 132.379 4.778 2.246 1.00 0.00 H new ATOM 415 N PHE A 28 129.669 4.007 2.924 1.00 0.00 N ATOM 416 CA PHE A 28 128.314 4.090 2.436 1.00 0.00 C ATOM 417 C PHE A 28 127.320 3.564 3.474 1.00 0.00 C ATOM 418 O PHE A 28 126.263 4.158 3.667 1.00 0.00 O ATOM 419 CB PHE A 28 128.160 3.343 1.098 1.00 0.00 C ATOM 420 CG PHE A 28 126.819 3.540 0.432 1.00 0.00 C ATOM 421 CD1 PHE A 28 126.574 4.670 -0.325 1.00 0.00 C ATOM 422 CD2 PHE A 28 125.811 2.602 0.564 1.00 0.00 C ATOM 423 CE1 PHE A 28 125.352 4.862 -0.935 1.00 0.00 C ATOM 424 CE2 PHE A 28 124.589 2.788 -0.042 1.00 0.00 C ATOM 425 CZ PHE A 28 124.358 3.919 -0.794 1.00 0.00 C ATOM 0 H PHE A 28 130.230 3.276 2.486 1.00 0.00 H new ATOM 0 HA PHE A 28 128.089 5.142 2.261 1.00 0.00 H new ATOM 0 HB2 PHE A 28 128.944 3.674 0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 28 128.316 2.278 1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 28 127.350 5.413 -0.440 1.00 0.00 H new ATOM 0 HD2 PHE A 28 125.985 1.712 1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 28 125.175 5.751 -1.523 1.00 0.00 H new ATOM 0 HE2 PHE A 28 123.811 2.047 0.072 1.00 0.00 H new ATOM 0 HZ PHE A 28 123.400 4.066 -1.271 1.00 0.00 H new ATOM 435 N THR A 29 127.668 2.477 4.161 1.00 0.00 N ATOM 436 CA THR A 29 126.755 1.894 5.122 1.00 0.00 C ATOM 437 C THR A 29 126.480 2.846 6.281 1.00 0.00 C ATOM 438 O THR A 29 125.345 3.027 6.633 1.00 0.00 O ATOM 439 CB THR A 29 127.153 0.451 5.627 1.00 0.00 C ATOM 440 OG1 THR A 29 126.065 -0.125 6.344 1.00 0.00 O ATOM 441 CG2 THR A 29 128.352 0.466 6.554 1.00 0.00 C ATOM 0 H THR A 29 128.562 1.994 4.068 1.00 0.00 H new ATOM 0 HA THR A 29 125.826 1.744 4.572 1.00 0.00 H new ATOM 0 HB THR A 29 127.404 -0.129 4.739 1.00 0.00 H new ATOM 0 HG1 THR A 29 126.315 -1.020 6.654 1.00 0.00 H new ATOM 0 HG21 THR A 29 128.581 -0.552 6.870 1.00 0.00 H new ATOM 0 HG22 THR A 29 129.211 0.885 6.031 1.00 0.00 H new ATOM 0 HG23 THR A 29 128.128 1.076 7.429 1.00 0.00 H new ATOM 449 N ARG A 30 127.510 3.524 6.817 1.00 0.00 N ATOM 450 CA ARG A 30 127.286 4.461 7.927 1.00 0.00 C ATOM 451 C ARG A 30 126.474 5.662 7.450 1.00 0.00 C ATOM 452 O ARG A 30 125.623 6.177 8.178 1.00 0.00 O ATOM 453 CB ARG A 30 128.595 4.907 8.593 1.00 0.00 C ATOM 454 CG ARG A 30 129.563 5.615 7.671 1.00 0.00 C ATOM 455 CD ARG A 30 130.827 6.010 8.389 1.00 0.00 C ATOM 456 NE ARG A 30 130.612 7.051 9.405 1.00 0.00 N ATOM 457 CZ ARG A 30 131.596 7.769 9.974 1.00 0.00 C ATOM 458 NH1 ARG A 30 132.872 7.560 9.631 1.00 0.00 N ATOM 459 NH2 ARG A 30 131.289 8.706 10.858 1.00 0.00 N ATOM 0 H ARG A 30 128.479 3.444 6.509 1.00 0.00 H new ATOM 0 HA ARG A 30 126.716 3.931 8.690 1.00 0.00 H new ATOM 0 HB2 ARG A 30 128.356 5.569 9.425 1.00 0.00 H new ATOM 0 HB3 ARG A 30 129.089 4.032 9.014 1.00 0.00 H new ATOM 0 HG2 ARG A 30 129.809 4.964 6.832 1.00 0.00 H new ATOM 0 HG3 ARG A 30 129.087 6.504 7.256 1.00 0.00 H new ATOM 0 HD2 ARG A 30 131.258 5.129 8.865 1.00 0.00 H new ATOM 0 HD3 ARG A 30 131.555 6.367 7.661 1.00 0.00 H new ATOM 0 HE ARG A 30 129.653 7.241 9.697 1.00 0.00 H new ATOM 0 HH11 ARG A 30 133.103 6.852 8.934 1.00 0.00 H new ATOM 0 HH12 ARG A 30 133.614 8.108 10.067 1.00 0.00 H new ATOM 0 HH21 ARG A 30 130.313 8.877 11.101 1.00 0.00 H new ATOM 0 HH22 ARG A 30 132.028 9.256 11.295 1.00 0.00 H new ATOM 473 N PHE A 31 126.720 6.061 6.210 1.00 0.00 N ATOM 474 CA PHE A 31 125.984 7.129 5.555 1.00 0.00 C ATOM 475 C PHE A 31 124.493 6.770 5.468 1.00 0.00 C ATOM 476 O PHE A 31 123.609 7.598 5.723 1.00 0.00 O ATOM 477 CB PHE A 31 126.585 7.348 4.151 1.00 0.00 C ATOM 478 CG PHE A 31 125.715 8.104 3.199 1.00 0.00 C ATOM 479 CD1 PHE A 31 125.582 9.468 3.291 1.00 0.00 C ATOM 480 CD2 PHE A 31 125.018 7.426 2.209 1.00 0.00 C ATOM 481 CE1 PHE A 31 124.772 10.147 2.416 1.00 0.00 C ATOM 482 CE2 PHE A 31 124.207 8.100 1.336 1.00 0.00 C ATOM 483 CZ PHE A 31 124.085 9.463 1.439 1.00 0.00 C ATOM 0 H PHE A 31 127.445 5.646 5.625 1.00 0.00 H new ATOM 0 HA PHE A 31 126.067 8.051 6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 31 127.530 7.881 4.257 1.00 0.00 H new ATOM 0 HB3 PHE A 31 126.814 6.376 3.715 1.00 0.00 H new ATOM 0 HD1 PHE A 31 126.118 10.009 4.057 1.00 0.00 H new ATOM 0 HD2 PHE A 31 125.117 6.354 2.126 1.00 0.00 H new ATOM 0 HE1 PHE A 31 124.673 11.220 2.494 1.00 0.00 H new ATOM 0 HE2 PHE A 31 123.667 7.562 0.571 1.00 0.00 H new ATOM 0 HZ PHE A 31 123.448 10.000 0.752 1.00 0.00 H new ATOM 493 N LEU A 32 124.242 5.537 5.137 1.00 0.00 N ATOM 494 CA LEU A 32 122.911 5.021 4.975 1.00 0.00 C ATOM 495 C LEU A 32 122.285 4.765 6.368 1.00 0.00 C ATOM 496 O LEU A 32 121.109 5.027 6.612 1.00 0.00 O ATOM 497 CB LEU A 32 123.037 3.713 4.188 1.00 0.00 C ATOM 498 CG LEU A 32 121.859 3.290 3.341 1.00 0.00 C ATOM 499 CD1 LEU A 32 121.556 4.355 2.298 1.00 0.00 C ATOM 500 CD2 LEU A 32 122.173 1.965 2.666 1.00 0.00 C ATOM 0 H LEU A 32 124.972 4.845 4.968 1.00 0.00 H new ATOM 0 HA LEU A 32 122.268 5.723 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 32 123.907 3.795 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 32 123.245 2.912 4.898 1.00 0.00 H new ATOM 0 HG LEU A 32 120.981 3.169 3.976 1.00 0.00 H new ATOM 0 HD11 LEU A 32 120.706 4.040 1.693 1.00 0.00 H new ATOM 0 HD12 LEU A 32 121.319 5.295 2.796 1.00 0.00 H new ATOM 0 HD13 LEU A 32 122.426 4.494 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 32 121.324 1.658 2.055 1.00 0.00 H new ATOM 0 HD22 LEU A 32 123.054 2.078 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 32 122.366 1.207 3.425 1.00 0.00 H new ATOM 512 N LYS A 33 123.113 4.291 7.266 1.00 0.00 N ATOM 513 CA LYS A 33 122.764 3.933 8.635 1.00 0.00 C ATOM 514 C LYS A 33 122.347 5.136 9.468 1.00 0.00 C ATOM 515 O LYS A 33 121.403 5.046 10.252 1.00 0.00 O ATOM 516 CB LYS A 33 123.963 3.223 9.264 1.00 0.00 C ATOM 517 CG LYS A 33 123.812 2.780 10.700 1.00 0.00 C ATOM 518 CD LYS A 33 125.006 1.941 11.121 1.00 0.00 C ATOM 519 CE LYS A 33 125.103 0.662 10.291 1.00 0.00 C ATOM 520 NZ LYS A 33 123.950 -0.236 10.514 1.00 0.00 N ATOM 0 H LYS A 33 124.100 4.133 7.060 1.00 0.00 H new ATOM 0 HA LYS A 33 121.898 3.272 8.612 1.00 0.00 H new ATOM 0 HB2 LYS A 33 124.194 2.346 8.660 1.00 0.00 H new ATOM 0 HB3 LYS A 33 124.824 3.889 9.202 1.00 0.00 H new ATOM 0 HG2 LYS A 33 123.724 3.651 11.349 1.00 0.00 H new ATOM 0 HG3 LYS A 33 122.895 2.203 10.815 1.00 0.00 H new ATOM 0 HD2 LYS A 33 125.921 2.522 11.006 1.00 0.00 H new ATOM 0 HD3 LYS A 33 124.921 1.686 12.177 1.00 0.00 H new ATOM 0 HE2 LYS A 33 125.161 0.920 9.234 1.00 0.00 H new ATOM 0 HE3 LYS A 33 126.025 0.137 10.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 124.098 -1.126 9.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 123.858 -0.437 11.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 123.082 0.222 10.171 1.00 0.00 H new ATOM 534 N THR A 34 123.027 6.258 9.293 1.00 0.00 N ATOM 535 CA THR A 34 122.711 7.459 10.060 1.00 0.00 C ATOM 536 C THR A 34 121.295 7.978 9.727 1.00 0.00 C ATOM 537 O THR A 34 120.620 8.555 10.575 1.00 0.00 O ATOM 538 CB THR A 34 123.802 8.584 9.898 1.00 0.00 C ATOM 539 OG1 THR A 34 123.525 9.705 10.757 1.00 0.00 O ATOM 540 CG2 THR A 34 123.904 9.077 8.467 1.00 0.00 C ATOM 0 H THR A 34 123.797 6.365 8.632 1.00 0.00 H new ATOM 0 HA THR A 34 122.721 7.176 11.112 1.00 0.00 H new ATOM 0 HB THR A 34 124.752 8.131 10.181 1.00 0.00 H new ATOM 0 HG1 THR A 34 124.218 10.388 10.638 1.00 0.00 H new ATOM 0 HG21 THR A 34 124.668 9.852 8.403 1.00 0.00 H new ATOM 0 HG22 THR A 34 124.173 8.247 7.814 1.00 0.00 H new ATOM 0 HG23 THR A 34 122.944 9.488 8.154 1.00 0.00 H new ATOM 548 N GLU A 35 120.826 7.720 8.512 1.00 0.00 N ATOM 549 CA GLU A 35 119.478 8.121 8.143 1.00 0.00 C ATOM 550 C GLU A 35 118.509 6.947 8.253 1.00 0.00 C ATOM 551 O GLU A 35 117.336 7.069 7.916 1.00 0.00 O ATOM 552 CB GLU A 35 119.427 8.763 6.756 1.00 0.00 C ATOM 553 CG GLU A 35 119.965 7.926 5.619 1.00 0.00 C ATOM 554 CD GLU A 35 119.736 8.596 4.291 1.00 0.00 C ATOM 555 OE1 GLU A 35 120.450 9.569 3.968 1.00 0.00 O ATOM 556 OE2 GLU A 35 118.829 8.171 3.547 1.00 0.00 O ATOM 0 H GLU A 35 121.350 7.243 7.778 1.00 0.00 H new ATOM 0 HA GLU A 35 119.162 8.885 8.853 1.00 0.00 H new ATOM 0 HB2 GLU A 35 118.391 9.019 6.534 1.00 0.00 H new ATOM 0 HB3 GLU A 35 119.987 9.698 6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 35 121.032 7.755 5.763 1.00 0.00 H new ATOM 0 HG3 GLU A 35 119.482 6.949 5.624 1.00 0.00 H new ATOM 563 N PHE A 36 119.025 5.826 8.760 1.00 0.00 N ATOM 564 CA PHE A 36 118.265 4.589 8.991 1.00 0.00 C ATOM 565 C PHE A 36 117.762 3.941 7.695 1.00 0.00 C ATOM 566 O PHE A 36 116.857 3.122 7.705 1.00 0.00 O ATOM 567 CB PHE A 36 117.133 4.805 10.011 1.00 0.00 C ATOM 568 CG PHE A 36 117.636 5.210 11.370 1.00 0.00 C ATOM 569 CD1 PHE A 36 118.155 4.264 12.239 1.00 0.00 C ATOM 570 CD2 PHE A 36 117.597 6.534 11.775 1.00 0.00 C ATOM 571 CE1 PHE A 36 118.625 4.629 13.484 1.00 0.00 C ATOM 572 CE2 PHE A 36 118.066 6.906 13.020 1.00 0.00 C ATOM 573 CZ PHE A 36 118.580 5.952 13.876 1.00 0.00 C ATOM 0 H PHE A 36 120.006 5.748 9.029 1.00 0.00 H new ATOM 0 HA PHE A 36 118.964 3.874 9.425 1.00 0.00 H new ATOM 0 HB2 PHE A 36 116.456 5.573 9.637 1.00 0.00 H new ATOM 0 HB3 PHE A 36 116.554 3.886 10.103 1.00 0.00 H new ATOM 0 HD1 PHE A 36 118.192 3.227 11.938 1.00 0.00 H new ATOM 0 HD2 PHE A 36 117.195 7.284 11.110 1.00 0.00 H new ATOM 0 HE1 PHE A 36 119.027 3.881 14.151 1.00 0.00 H new ATOM 0 HE2 PHE A 36 118.031 7.942 13.324 1.00 0.00 H new ATOM 0 HZ PHE A 36 118.946 6.240 14.850 1.00 0.00 H new ATOM 583 N SER A 37 118.426 4.240 6.604 1.00 0.00 N ATOM 584 CA SER A 37 118.097 3.660 5.313 1.00 0.00 C ATOM 585 C SER A 37 118.991 2.425 5.076 1.00 0.00 C ATOM 586 O SER A 37 118.975 1.806 3.994 1.00 0.00 O ATOM 587 CB SER A 37 118.322 4.706 4.225 1.00 0.00 C ATOM 588 OG SER A 37 117.624 5.909 4.538 1.00 0.00 O ATOM 0 H SER A 37 119.210 4.892 6.581 1.00 0.00 H new ATOM 0 HA SER A 37 117.053 3.349 5.289 1.00 0.00 H new ATOM 0 HB2 SER A 37 119.388 4.912 4.125 1.00 0.00 H new ATOM 0 HB3 SER A 37 117.981 4.320 3.265 1.00 0.00 H new ATOM 0 HG SER A 37 118.060 6.665 4.093 1.00 0.00 H new ATOM 594 N GLU A 38 119.729 2.061 6.142 1.00 0.00 N ATOM 595 CA GLU A 38 120.706 0.953 6.175 1.00 0.00 C ATOM 596 C GLU A 38 120.119 -0.373 5.713 1.00 0.00 C ATOM 597 O GLU A 38 120.828 -1.209 5.188 1.00 0.00 O ATOM 598 CB GLU A 38 121.247 0.768 7.596 1.00 0.00 C ATOM 599 CG GLU A 38 120.152 0.586 8.647 1.00 0.00 C ATOM 600 CD GLU A 38 120.674 0.086 9.960 1.00 0.00 C ATOM 601 OE1 GLU A 38 121.459 0.788 10.605 1.00 0.00 O ATOM 602 OE2 GLU A 38 120.302 -1.028 10.377 1.00 0.00 O ATOM 0 H GLU A 38 119.660 2.547 7.036 1.00 0.00 H new ATOM 0 HA GLU A 38 121.502 1.231 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 38 121.906 -0.100 7.615 1.00 0.00 H new ATOM 0 HB3 GLU A 38 121.853 1.634 7.861 1.00 0.00 H new ATOM 0 HG2 GLU A 38 119.645 1.538 8.803 1.00 0.00 H new ATOM 0 HG3 GLU A 38 119.407 -0.114 8.269 1.00 0.00 H new ATOM 609 N GLU A 39 118.824 -0.527 5.899 1.00 0.00 N ATOM 610 CA GLU A 39 118.077 -1.737 5.570 1.00 0.00 C ATOM 611 C GLU A 39 118.300 -2.235 4.134 1.00 0.00 C ATOM 612 O GLU A 39 118.175 -3.405 3.874 1.00 0.00 O ATOM 613 CB GLU A 39 116.599 -1.508 5.869 1.00 0.00 C ATOM 614 CG GLU A 39 116.061 -0.205 5.299 1.00 0.00 C ATOM 615 CD GLU A 39 114.674 0.111 5.775 1.00 0.00 C ATOM 616 OE1 GLU A 39 114.503 0.415 6.973 1.00 0.00 O ATOM 617 OE2 GLU A 39 113.735 0.076 4.970 1.00 0.00 O ATOM 0 H GLU A 39 118.238 0.207 6.296 1.00 0.00 H new ATOM 0 HA GLU A 39 118.460 -2.540 6.200 1.00 0.00 H new ATOM 0 HB2 GLU A 39 116.021 -2.339 5.464 1.00 0.00 H new ATOM 0 HB3 GLU A 39 116.450 -1.512 6.949 1.00 0.00 H new ATOM 0 HG2 GLU A 39 116.729 0.610 5.576 1.00 0.00 H new ATOM 0 HG3 GLU A 39 116.062 -0.262 4.211 1.00 0.00 H new ATOM 624 N ASN A 40 118.657 -1.343 3.228 1.00 0.00 N ATOM 625 CA ASN A 40 118.941 -1.733 1.845 1.00 0.00 C ATOM 626 C ASN A 40 120.317 -2.418 1.754 1.00 0.00 C ATOM 627 O ASN A 40 120.460 -3.591 1.283 1.00 0.00 O ATOM 628 CB ASN A 40 118.893 -0.514 0.893 1.00 0.00 C ATOM 629 CG ASN A 40 117.499 0.067 0.685 1.00 0.00 C ATOM 630 OD1 ASN A 40 116.764 -0.359 -0.209 1.00 0.00 O ATOM 631 ND2 ASN A 40 117.140 1.062 1.465 1.00 0.00 N ATOM 0 H ASN A 40 118.759 -0.346 3.417 1.00 0.00 H new ATOM 0 HA ASN A 40 118.169 -2.436 1.533 1.00 0.00 H new ATOM 0 HB2 ASN A 40 119.543 0.266 1.288 1.00 0.00 H new ATOM 0 HB3 ASN A 40 119.299 -0.808 -0.075 1.00 0.00 H new ATOM 0 HD21 ASN A 40 116.230 1.505 1.340 1.00 0.00 H new ATOM 0 HD22 ASN A 40 117.771 1.391 2.195 1.00 0.00 H new ATOM 638 N ILE A 41 121.325 -1.739 2.258 1.00 0.00 N ATOM 639 CA ILE A 41 122.665 -2.265 2.185 1.00 0.00 C ATOM 640 C ILE A 41 122.756 -3.496 3.081 1.00 0.00 C ATOM 641 O ILE A 41 123.343 -4.511 2.712 1.00 0.00 O ATOM 642 CB ILE A 41 123.752 -1.191 2.546 1.00 0.00 C ATOM 643 CG1 ILE A 41 125.091 -1.549 1.895 1.00 0.00 C ATOM 644 CG2 ILE A 41 123.917 -1.010 4.067 1.00 0.00 C ATOM 645 CD1 ILE A 41 126.161 -0.502 2.078 1.00 0.00 C ATOM 0 H ILE A 41 121.241 -0.832 2.717 1.00 0.00 H new ATOM 0 HA ILE A 41 122.876 -2.552 1.155 1.00 0.00 H new ATOM 0 HB ILE A 41 123.407 -0.236 2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 41 125.445 -2.492 2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 41 124.933 -1.710 0.829 1.00 0.00 H new ATOM 0 HG21 ILE A 41 124.680 -0.257 4.263 1.00 0.00 H new ATOM 0 HG22 ILE A 41 122.970 -0.688 4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 41 124.218 -1.957 4.516 1.00 0.00 H new ATOM 0 HD11 ILE A 41 127.078 -0.830 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 41 125.830 0.438 1.636 1.00 0.00 H new ATOM 0 HD13 ILE A 41 126.349 -0.356 3.142 1.00 0.00 H new ATOM 657 N GLU A 42 122.064 -3.437 4.212 1.00 0.00 N ATOM 658 CA GLU A 42 122.049 -4.518 5.121 1.00 0.00 C ATOM 659 C GLU A 42 121.082 -5.611 4.750 1.00 0.00 C ATOM 660 O GLU A 42 121.075 -6.680 5.356 1.00 0.00 O ATOM 661 CB GLU A 42 122.041 -4.086 6.572 1.00 0.00 C ATOM 662 CG GLU A 42 123.440 -3.674 7.014 1.00 0.00 C ATOM 663 CD GLU A 42 123.522 -3.135 8.415 1.00 0.00 C ATOM 664 OE1 GLU A 42 123.185 -3.861 9.374 1.00 0.00 O ATOM 665 OE2 GLU A 42 123.948 -1.995 8.592 1.00 0.00 O ATOM 0 H GLU A 42 121.508 -2.632 4.501 1.00 0.00 H new ATOM 0 HA GLU A 42 123.016 -5.011 5.017 1.00 0.00 H new ATOM 0 HB2 GLU A 42 121.351 -3.253 6.706 1.00 0.00 H new ATOM 0 HB3 GLU A 42 121.681 -4.902 7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 42 124.101 -4.537 6.932 1.00 0.00 H new ATOM 0 HG3 GLU A 42 123.816 -2.917 6.325 1.00 0.00 H new ATOM 672 N PHE A 43 120.293 -5.348 3.730 1.00 0.00 N ATOM 673 CA PHE A 43 119.496 -6.362 3.093 1.00 0.00 C ATOM 674 C PHE A 43 120.439 -7.348 2.465 1.00 0.00 C ATOM 675 O PHE A 43 120.449 -8.536 2.817 1.00 0.00 O ATOM 676 CB PHE A 43 118.599 -5.737 2.012 1.00 0.00 C ATOM 677 CG PHE A 43 117.937 -6.698 1.085 1.00 0.00 C ATOM 678 CD1 PHE A 43 116.724 -7.220 1.392 1.00 0.00 C ATOM 679 CD2 PHE A 43 118.542 -7.066 -0.109 1.00 0.00 C ATOM 680 CE1 PHE A 43 116.103 -8.090 0.547 1.00 0.00 C ATOM 681 CE2 PHE A 43 117.930 -7.943 -0.966 1.00 0.00 C ATOM 682 CZ PHE A 43 116.704 -8.456 -0.640 1.00 0.00 C ATOM 0 H PHE A 43 120.189 -4.419 3.321 1.00 0.00 H new ATOM 0 HA PHE A 43 118.852 -6.852 3.823 1.00 0.00 H new ATOM 0 HB2 PHE A 43 117.827 -5.145 2.504 1.00 0.00 H new ATOM 0 HB3 PHE A 43 119.201 -5.047 1.421 1.00 0.00 H new ATOM 0 HD1 PHE A 43 116.244 -6.943 2.319 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.507 -6.656 -0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 43 115.136 -8.495 0.807 1.00 0.00 H new ATOM 0 HE2 PHE A 43 118.411 -8.227 -1.890 1.00 0.00 H new ATOM 0 HZ PHE A 43 116.209 -9.144 -1.309 1.00 0.00 H new ATOM 692 N TRP A 44 121.286 -6.873 1.559 1.00 0.00 N ATOM 693 CA TRP A 44 122.182 -7.831 0.940 1.00 0.00 C ATOM 694 C TRP A 44 123.413 -8.172 1.761 1.00 0.00 C ATOM 695 O TRP A 44 124.066 -9.170 1.507 1.00 0.00 O ATOM 696 CB TRP A 44 122.445 -7.656 -0.563 1.00 0.00 C ATOM 697 CG TRP A 44 122.942 -6.336 -1.010 1.00 0.00 C ATOM 698 CD1 TRP A 44 122.312 -5.489 -1.865 1.00 0.00 C ATOM 699 CD2 TRP A 44 124.170 -5.707 -0.645 1.00 0.00 C ATOM 700 NE1 TRP A 44 123.075 -4.387 -2.078 1.00 0.00 N ATOM 701 CE2 TRP A 44 124.217 -4.489 -1.315 1.00 0.00 C ATOM 702 CE3 TRP A 44 125.236 -6.060 0.190 1.00 0.00 C ATOM 703 CZ2 TRP A 44 125.277 -3.628 -1.179 1.00 0.00 C ATOM 704 CZ3 TRP A 44 126.288 -5.198 0.326 1.00 0.00 C ATOM 705 CH2 TRP A 44 126.302 -3.996 -0.351 1.00 0.00 C ATOM 0 H TRP A 44 121.369 -5.903 1.255 1.00 0.00 H new ATOM 0 HA TRP A 44 121.580 -8.740 0.958 1.00 0.00 H new ATOM 0 HB2 TRP A 44 123.168 -8.412 -0.870 1.00 0.00 H new ATOM 0 HB3 TRP A 44 121.518 -7.867 -1.096 1.00 0.00 H new ATOM 0 HD1 TRP A 44 121.344 -5.667 -2.311 1.00 0.00 H new ATOM 0 HE1 TRP A 44 122.842 -3.613 -2.699 1.00 0.00 H new ATOM 0 HE3 TRP A 44 125.228 -7.001 0.720 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 125.301 -2.688 -1.710 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 127.115 -5.460 0.969 1.00 0.00 H new ATOM 0 HH2 TRP A 44 127.142 -3.330 -0.224 1.00 0.00 H new ATOM 716 N ILE A 45 123.728 -7.358 2.755 1.00 0.00 N ATOM 717 CA ILE A 45 124.769 -7.720 3.719 1.00 0.00 C ATOM 718 C ILE A 45 124.293 -8.936 4.517 1.00 0.00 C ATOM 719 O ILE A 45 125.085 -9.827 4.854 1.00 0.00 O ATOM 720 CB ILE A 45 125.152 -6.510 4.631 1.00 0.00 C ATOM 721 CG1 ILE A 45 126.082 -5.538 3.879 1.00 0.00 C ATOM 722 CG2 ILE A 45 125.695 -6.896 5.999 1.00 0.00 C ATOM 723 CD1 ILE A 45 126.465 -4.290 4.654 1.00 0.00 C ATOM 0 H ILE A 45 123.288 -6.453 2.920 1.00 0.00 H new ATOM 0 HA ILE A 45 125.685 -7.988 3.192 1.00 0.00 H new ATOM 0 HB ILE A 45 124.220 -5.992 4.856 1.00 0.00 H new ATOM 0 HG12 ILE A 45 126.992 -6.070 3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 45 125.595 -5.237 2.952 1.00 0.00 H new ATOM 0 HG21 ILE A 45 125.934 -5.995 6.563 1.00 0.00 H new ATOM 0 HG22 ILE A 45 124.944 -7.473 6.539 1.00 0.00 H new ATOM 0 HG23 ILE A 45 126.596 -7.497 5.876 1.00 0.00 H new ATOM 0 HD11 ILE A 45 127.120 -3.669 4.043 1.00 0.00 H new ATOM 0 HD12 ILE A 45 125.566 -3.729 4.908 1.00 0.00 H new ATOM 0 HD13 ILE A 45 126.985 -4.575 5.569 1.00 0.00 H new ATOM 735 N ALA A 46 122.977 -9.003 4.750 1.00 0.00 N ATOM 736 CA ALA A 46 122.377 -10.172 5.368 1.00 0.00 C ATOM 737 C ALA A 46 122.496 -11.335 4.411 1.00 0.00 C ATOM 738 O ALA A 46 122.744 -12.455 4.817 1.00 0.00 O ATOM 739 CB ALA A 46 120.905 -9.950 5.688 1.00 0.00 C ATOM 0 H ALA A 46 122.317 -8.261 4.518 1.00 0.00 H new ATOM 0 HA ALA A 46 122.900 -10.372 6.303 1.00 0.00 H new ATOM 0 HB1 ALA A 46 120.493 -10.848 6.149 1.00 0.00 H new ATOM 0 HB2 ALA A 46 120.805 -9.110 6.376 1.00 0.00 H new ATOM 0 HB3 ALA A 46 120.362 -9.733 4.768 1.00 0.00 H new ATOM 745 N CYS A 47 122.341 -11.042 3.133 1.00 0.00 N ATOM 746 CA CYS A 47 122.432 -12.040 2.083 1.00 0.00 C ATOM 747 C CYS A 47 123.864 -12.578 1.941 1.00 0.00 C ATOM 748 O CYS A 47 124.062 -13.743 1.600 1.00 0.00 O ATOM 749 CB CYS A 47 121.929 -11.467 0.764 1.00 0.00 C ATOM 750 SG CYS A 47 120.246 -10.809 0.857 1.00 0.00 S ATOM 0 H CYS A 47 122.147 -10.100 2.792 1.00 0.00 H new ATOM 0 HA CYS A 47 121.796 -12.881 2.360 1.00 0.00 H new ATOM 0 HB2 CYS A 47 122.603 -10.674 0.441 1.00 0.00 H new ATOM 0 HB3 CYS A 47 121.965 -12.245 0.002 1.00 0.00 H new ATOM 0 HG CYS A 47 120.172 -9.941 1.822 1.00 0.00 H new ATOM 756 N GLU A 48 124.863 -11.742 2.203 1.00 0.00 N ATOM 757 CA GLU A 48 126.228 -12.231 2.187 1.00 0.00 C ATOM 758 C GLU A 48 126.498 -13.038 3.434 1.00 0.00 C ATOM 759 O GLU A 48 127.251 -14.000 3.399 1.00 0.00 O ATOM 760 CB GLU A 48 127.275 -11.146 2.067 1.00 0.00 C ATOM 761 CG GLU A 48 127.169 -10.264 0.858 1.00 0.00 C ATOM 762 CD GLU A 48 128.491 -9.612 0.581 1.00 0.00 C ATOM 763 OE1 GLU A 48 128.791 -8.538 1.144 1.00 0.00 O ATOM 764 OE2 GLU A 48 129.290 -10.205 -0.192 1.00 0.00 O ATOM 0 H GLU A 48 124.755 -10.752 2.422 1.00 0.00 H new ATOM 0 HA GLU A 48 126.311 -12.846 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 48 127.223 -10.518 2.957 1.00 0.00 H new ATOM 0 HB3 GLU A 48 128.259 -11.616 2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 48 126.856 -10.852 -0.005 1.00 0.00 H new ATOM 0 HG3 GLU A 48 126.405 -9.503 1.019 1.00 0.00 H new ATOM 771 N ASP A 49 125.879 -12.630 4.537 1.00 0.00 N ATOM 772 CA ASP A 49 125.954 -13.367 5.805 1.00 0.00 C ATOM 773 C ASP A 49 125.316 -14.725 5.613 1.00 0.00 C ATOM 774 O ASP A 49 125.786 -15.736 6.116 1.00 0.00 O ATOM 775 CB ASP A 49 125.247 -12.587 6.930 1.00 0.00 C ATOM 776 CG ASP A 49 125.181 -13.339 8.248 1.00 0.00 C ATOM 777 OD1 ASP A 49 126.140 -13.268 9.057 1.00 0.00 O ATOM 778 OD2 ASP A 49 124.163 -14.000 8.516 1.00 0.00 O ATOM 0 H ASP A 49 125.312 -11.783 4.583 1.00 0.00 H new ATOM 0 HA ASP A 49 126.997 -13.491 6.096 1.00 0.00 H new ATOM 0 HB2 ASP A 49 125.767 -11.642 7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 49 124.234 -12.344 6.610 1.00 0.00 H new ATOM 783 N PHE A 50 124.269 -14.710 4.840 1.00 0.00 N ATOM 784 CA PHE A 50 123.535 -15.870 4.422 1.00 0.00 C ATOM 785 C PHE A 50 124.425 -16.803 3.587 1.00 0.00 C ATOM 786 O PHE A 50 124.572 -17.966 3.907 1.00 0.00 O ATOM 787 CB PHE A 50 122.314 -15.384 3.617 1.00 0.00 C ATOM 788 CG PHE A 50 121.558 -16.432 2.891 1.00 0.00 C ATOM 789 CD1 PHE A 50 120.724 -17.271 3.563 1.00 0.00 C ATOM 790 CD2 PHE A 50 121.693 -16.573 1.524 1.00 0.00 C ATOM 791 CE1 PHE A 50 120.031 -18.245 2.901 1.00 0.00 C ATOM 792 CE2 PHE A 50 121.002 -17.544 0.852 1.00 0.00 C ATOM 793 CZ PHE A 50 120.168 -18.385 1.544 1.00 0.00 C ATOM 0 H PHE A 50 123.884 -13.843 4.465 1.00 0.00 H new ATOM 0 HA PHE A 50 123.202 -16.446 5.286 1.00 0.00 H new ATOM 0 HB2 PHE A 50 121.631 -14.878 4.300 1.00 0.00 H new ATOM 0 HB3 PHE A 50 122.652 -14.641 2.895 1.00 0.00 H new ATOM 0 HD1 PHE A 50 120.608 -17.166 4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 50 122.350 -15.911 0.980 1.00 0.00 H new ATOM 0 HE1 PHE A 50 119.374 -18.906 3.448 1.00 0.00 H new ATOM 0 HE2 PHE A 50 121.113 -17.648 -0.217 1.00 0.00 H new ATOM 0 HZ PHE A 50 119.621 -19.155 1.021 1.00 0.00 H new ATOM 803 N LYS A 51 125.049 -16.256 2.557 1.00 0.00 N ATOM 804 CA LYS A 51 125.876 -17.030 1.644 1.00 0.00 C ATOM 805 C LYS A 51 127.168 -17.522 2.319 1.00 0.00 C ATOM 806 O LYS A 51 127.660 -18.612 2.013 1.00 0.00 O ATOM 807 CB LYS A 51 126.143 -16.203 0.360 1.00 0.00 C ATOM 808 CG LYS A 51 126.885 -16.923 -0.774 1.00 0.00 C ATOM 809 CD LYS A 51 128.394 -16.929 -0.591 1.00 0.00 C ATOM 810 CE LYS A 51 129.077 -17.709 -1.695 1.00 0.00 C ATOM 811 NZ LYS A 51 130.540 -17.568 -1.641 1.00 0.00 N ATOM 0 H LYS A 51 124.997 -15.263 2.330 1.00 0.00 H new ATOM 0 HA LYS A 51 125.339 -17.933 1.355 1.00 0.00 H new ATOM 0 HB2 LYS A 51 125.186 -15.853 -0.026 1.00 0.00 H new ATOM 0 HB3 LYS A 51 126.717 -15.319 0.637 1.00 0.00 H new ATOM 0 HG2 LYS A 51 126.529 -17.951 -0.838 1.00 0.00 H new ATOM 0 HG3 LYS A 51 126.642 -16.442 -1.722 1.00 0.00 H new ATOM 0 HD2 LYS A 51 128.766 -15.904 -0.582 1.00 0.00 H new ATOM 0 HD3 LYS A 51 128.644 -17.367 0.375 1.00 0.00 H new ATOM 0 HE2 LYS A 51 128.810 -18.763 -1.614 1.00 0.00 H new ATOM 0 HE3 LYS A 51 128.714 -17.362 -2.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 130.970 -18.116 -2.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 130.796 -16.565 -1.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 130.889 -17.922 -0.728 1.00 0.00 H new ATOM 825 N LYS A 52 127.716 -16.731 3.243 1.00 0.00 N ATOM 826 CA LYS A 52 128.924 -17.152 3.950 1.00 0.00 C ATOM 827 C LYS A 52 128.582 -18.239 4.955 1.00 0.00 C ATOM 828 O LYS A 52 129.454 -18.967 5.438 1.00 0.00 O ATOM 829 CB LYS A 52 129.679 -15.975 4.601 1.00 0.00 C ATOM 830 CG LYS A 52 128.966 -15.279 5.743 1.00 0.00 C ATOM 831 CD LYS A 52 129.719 -14.028 6.161 1.00 0.00 C ATOM 832 CE LYS A 52 129.012 -13.296 7.282 1.00 0.00 C ATOM 833 NZ LYS A 52 129.656 -12.010 7.602 1.00 0.00 N ATOM 0 H LYS A 52 127.353 -15.817 3.514 1.00 0.00 H new ATOM 0 HA LYS A 52 129.614 -17.564 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 52 130.638 -16.342 4.967 1.00 0.00 H new ATOM 0 HB3 LYS A 52 129.895 -15.236 3.829 1.00 0.00 H new ATOM 0 HG2 LYS A 52 127.953 -15.016 5.439 1.00 0.00 H new ATOM 0 HG3 LYS A 52 128.878 -15.958 6.591 1.00 0.00 H new ATOM 0 HD2 LYS A 52 130.725 -14.299 6.481 1.00 0.00 H new ATOM 0 HD3 LYS A 52 129.826 -13.364 5.303 1.00 0.00 H new ATOM 0 HE2 LYS A 52 127.974 -13.120 7.000 1.00 0.00 H new ATOM 0 HE3 LYS A 52 128.999 -13.925 8.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 129.138 -11.545 8.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 130.639 -12.178 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 129.646 -11.398 6.761 1.00 0.00 H new ATOM 847 N SER A 53 127.310 -18.364 5.243 1.00 0.00 N ATOM 848 CA SER A 53 126.802 -19.428 6.044 1.00 0.00 C ATOM 849 C SER A 53 126.443 -20.562 5.100 1.00 0.00 C ATOM 850 O SER A 53 125.300 -20.982 5.010 1.00 0.00 O ATOM 851 CB SER A 53 125.572 -18.965 6.816 1.00 0.00 C ATOM 852 OG SER A 53 125.891 -17.863 7.663 1.00 0.00 O ATOM 0 H SER A 53 126.594 -17.714 4.918 1.00 0.00 H new ATOM 0 HA SER A 53 127.543 -19.755 6.774 1.00 0.00 H new ATOM 0 HB2 SER A 53 124.786 -18.677 6.118 1.00 0.00 H new ATOM 0 HB3 SER A 53 125.181 -19.788 7.414 1.00 0.00 H new ATOM 0 HG SER A 53 125.949 -17.045 7.127 1.00 0.00 H new ATOM 858 N LYS A 54 127.461 -21.059 4.410 1.00 0.00 N ATOM 859 CA LYS A 54 127.338 -22.084 3.370 1.00 0.00 C ATOM 860 C LYS A 54 126.980 -23.481 3.897 1.00 0.00 C ATOM 861 O LYS A 54 127.211 -24.493 3.233 1.00 0.00 O ATOM 862 CB LYS A 54 128.593 -22.083 2.456 1.00 0.00 C ATOM 863 CG LYS A 54 129.947 -21.986 3.174 1.00 0.00 C ATOM 864 CD LYS A 54 130.278 -23.207 4.016 1.00 0.00 C ATOM 865 CE LYS A 54 131.586 -23.006 4.754 1.00 0.00 C ATOM 866 NZ LYS A 54 131.965 -24.183 5.554 1.00 0.00 N ATOM 0 H LYS A 54 128.423 -20.755 4.559 1.00 0.00 H new ATOM 0 HA LYS A 54 126.476 -21.810 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 54 128.585 -22.995 1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 54 128.512 -21.247 1.761 1.00 0.00 H new ATOM 0 HG2 LYS A 54 130.733 -21.843 2.432 1.00 0.00 H new ATOM 0 HG3 LYS A 54 129.947 -21.103 3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 54 129.476 -23.391 4.730 1.00 0.00 H new ATOM 0 HD3 LYS A 54 130.346 -24.088 3.378 1.00 0.00 H new ATOM 0 HE2 LYS A 54 132.376 -22.789 4.035 1.00 0.00 H new ATOM 0 HE3 LYS A 54 131.502 -22.138 5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 132.866 -23.997 6.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 131.225 -24.377 6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 132.072 -25.007 4.929 1.00 0.00 H new ATOM 880 N GLY A 55 126.379 -23.511 5.040 1.00 0.00 N ATOM 881 CA GLY A 55 125.897 -24.709 5.606 1.00 0.00 C ATOM 882 C GLY A 55 124.431 -24.775 5.308 1.00 0.00 C ATOM 883 O GLY A 55 123.689 -23.883 5.723 1.00 0.00 O ATOM 0 H GLY A 55 126.210 -22.683 5.611 1.00 0.00 H new ATOM 0 HA2 GLY A 55 126.415 -25.570 5.185 1.00 0.00 H new ATOM 0 HA3 GLY A 55 126.073 -24.726 6.682 1.00 0.00 H new ATOM 887 N PRO A 56 123.980 -25.790 4.559 1.00 0.00 N ATOM 888 CA PRO A 56 122.588 -25.899 4.102 1.00 0.00 C ATOM 889 C PRO A 56 121.555 -25.820 5.232 1.00 0.00 C ATOM 890 O PRO A 56 120.436 -25.338 5.012 1.00 0.00 O ATOM 891 CB PRO A 56 122.545 -27.239 3.384 1.00 0.00 C ATOM 892 CG PRO A 56 123.951 -27.478 2.971 1.00 0.00 C ATOM 893 CD PRO A 56 124.792 -26.913 4.073 1.00 0.00 C ATOM 0 HA PRO A 56 122.315 -25.060 3.462 1.00 0.00 H new ATOM 0 HB2 PRO A 56 122.183 -28.031 4.040 1.00 0.00 H new ATOM 0 HB3 PRO A 56 121.877 -27.208 2.523 1.00 0.00 H new ATOM 0 HG2 PRO A 56 124.145 -28.542 2.835 1.00 0.00 H new ATOM 0 HG3 PRO A 56 124.169 -26.990 2.021 1.00 0.00 H new ATOM 0 HD2 PRO A 56 124.978 -27.647 4.857 1.00 0.00 H new ATOM 0 HD3 PRO A 56 125.765 -26.581 3.710 1.00 0.00 H new ATOM 901 N GLN A 57 121.942 -26.250 6.436 1.00 0.00 N ATOM 902 CA GLN A 57 121.070 -26.136 7.615 1.00 0.00 C ATOM 903 C GLN A 57 120.727 -24.675 7.853 1.00 0.00 C ATOM 904 O GLN A 57 119.549 -24.309 7.986 1.00 0.00 O ATOM 905 CB GLN A 57 121.744 -26.685 8.870 1.00 0.00 C ATOM 906 CG GLN A 57 121.956 -28.184 8.896 1.00 0.00 C ATOM 907 CD GLN A 57 122.741 -28.643 10.122 1.00 0.00 C ATOM 908 OE1 GLN A 57 122.649 -27.912 11.207 1.00 0.00 O flip ATOM 909 NE2 GLN A 57 123.450 -29.650 10.078 1.00 0.00 N flip ATOM 0 H GLN A 57 122.848 -26.679 6.623 1.00 0.00 H new ATOM 0 HA GLN A 57 120.171 -26.719 7.418 1.00 0.00 H new ATOM 0 HB2 GLN A 57 122.712 -26.197 8.984 1.00 0.00 H new ATOM 0 HB3 GLN A 57 121.143 -26.406 9.735 1.00 0.00 H new ATOM 0 HG2 GLN A 57 120.988 -28.685 8.880 1.00 0.00 H new ATOM 0 HG3 GLN A 57 122.487 -28.488 7.994 1.00 0.00 H new ATOM 0 HE21 GLN A 57 123.502 -30.200 9.220 1.00 0.00 H new ATOM 0 HE22 GLN A 57 123.984 -29.934 10.899 1.00 0.00 H new ATOM 918 N GLN A 58 121.761 -23.842 7.845 1.00 0.00 N ATOM 919 CA GLN A 58 121.609 -22.419 8.052 1.00 0.00 C ATOM 920 C GLN A 58 120.800 -21.796 6.952 1.00 0.00 C ATOM 921 O GLN A 58 119.991 -20.938 7.220 1.00 0.00 O ATOM 922 CB GLN A 58 122.959 -21.707 8.151 1.00 0.00 C ATOM 923 CG GLN A 58 123.766 -22.050 9.379 1.00 0.00 C ATOM 924 CD GLN A 58 123.058 -21.671 10.667 1.00 0.00 C ATOM 925 OE1 GLN A 58 122.295 -22.458 11.233 1.00 0.00 O ATOM 926 NE2 GLN A 58 123.331 -20.491 11.159 1.00 0.00 N ATOM 0 H GLN A 58 122.725 -24.140 7.694 1.00 0.00 H new ATOM 0 HA GLN A 58 121.085 -22.298 9.000 1.00 0.00 H new ATOM 0 HB2 GLN A 58 123.548 -21.950 7.267 1.00 0.00 H new ATOM 0 HB3 GLN A 58 122.788 -20.631 8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 58 123.975 -23.120 9.385 1.00 0.00 H new ATOM 0 HG3 GLN A 58 124.727 -21.538 9.333 1.00 0.00 H new ATOM 0 HE21 GLN A 58 123.967 -19.866 10.663 1.00 0.00 H new ATOM 0 HE22 GLN A 58 122.908 -20.195 12.039 1.00 0.00 H new ATOM 935 N ILE A 59 121.000 -22.270 5.724 1.00 0.00 N ATOM 936 CA ILE A 59 120.322 -21.726 4.533 1.00 0.00 C ATOM 937 C ILE A 59 118.810 -21.653 4.735 1.00 0.00 C ATOM 938 O ILE A 59 118.209 -20.607 4.534 1.00 0.00 O ATOM 939 CB ILE A 59 120.610 -22.562 3.254 1.00 0.00 C ATOM 940 CG1 ILE A 59 122.118 -22.735 3.033 1.00 0.00 C ATOM 941 CG2 ILE A 59 119.957 -21.928 2.030 1.00 0.00 C ATOM 942 CD1 ILE A 59 122.902 -21.456 2.949 1.00 0.00 C ATOM 0 H ILE A 59 121.635 -23.042 5.519 1.00 0.00 H new ATOM 0 HA ILE A 59 120.725 -20.723 4.396 1.00 0.00 H new ATOM 0 HB ILE A 59 120.175 -23.551 3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 59 122.522 -23.337 3.847 1.00 0.00 H new ATOM 0 HG13 ILE A 59 122.272 -23.298 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 59 120.173 -22.532 1.149 1.00 0.00 H new ATOM 0 HG22 ILE A 59 118.878 -21.876 2.179 1.00 0.00 H new ATOM 0 HG23 ILE A 59 120.352 -20.922 1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 59 123.956 -21.685 2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 59 122.533 -20.857 2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 59 122.787 -20.897 3.877 1.00 0.00 H new ATOM 954 N HIS A 60 118.220 -22.758 5.176 1.00 0.00 N ATOM 955 CA HIS A 60 116.761 -22.829 5.402 1.00 0.00 C ATOM 956 C HIS A 60 116.305 -21.761 6.388 1.00 0.00 C ATOM 957 O HIS A 60 115.312 -21.060 6.150 1.00 0.00 O ATOM 958 CB HIS A 60 116.322 -24.211 5.930 1.00 0.00 C ATOM 959 CG HIS A 60 116.493 -25.361 4.980 1.00 0.00 C ATOM 960 ND1 HIS A 60 117.571 -26.116 4.689 1.00 0.00 N flip ATOM 961 CD2 HIS A 60 115.463 -25.879 4.237 1.00 0.00 C flip ATOM 962 CE1 HIS A 60 117.177 -27.066 3.783 1.00 0.00 C flip ATOM 963 NE2 HIS A 60 115.897 -26.897 3.530 1.00 0.00 N flip ATOM 0 H HIS A 60 118.719 -23.622 5.387 1.00 0.00 H new ATOM 0 HA HIS A 60 116.293 -22.659 4.432 1.00 0.00 H new ATOM 0 HB2 HIS A 60 116.886 -24.428 6.837 1.00 0.00 H new ATOM 0 HB3 HIS A 60 115.271 -24.153 6.214 1.00 0.00 H new ATOM 0 HD1 HIS A 60 118.509 -26.001 5.073 1.00 0.00 H new ATOM 0 HD2 HIS A 60 114.449 -25.506 4.234 1.00 0.00 H new ATOM 0 HE1 HIS A 60 117.811 -27.826 3.350 1.00 0.00 H new ATOM 972 N LEU A 61 117.062 -21.618 7.450 1.00 0.00 N ATOM 973 CA LEU A 61 116.746 -20.704 8.536 1.00 0.00 C ATOM 974 C LEU A 61 116.954 -19.279 8.072 1.00 0.00 C ATOM 975 O LEU A 61 116.017 -18.486 8.001 1.00 0.00 O ATOM 976 CB LEU A 61 117.700 -20.975 9.684 1.00 0.00 C ATOM 977 CG LEU A 61 117.881 -22.431 10.068 1.00 0.00 C ATOM 978 CD1 LEU A 61 118.980 -22.548 11.082 1.00 0.00 C ATOM 979 CD2 LEU A 61 116.588 -23.018 10.592 1.00 0.00 C ATOM 0 H LEU A 61 117.928 -22.138 7.591 1.00 0.00 H new ATOM 0 HA LEU A 61 115.711 -20.846 8.848 1.00 0.00 H new ATOM 0 HB2 LEU A 61 118.676 -20.564 9.424 1.00 0.00 H new ATOM 0 HB3 LEU A 61 117.348 -20.430 10.560 1.00 0.00 H new ATOM 0 HG LEU A 61 118.159 -23.001 9.181 1.00 0.00 H new ATOM 0 HD11 LEU A 61 119.110 -23.594 11.358 1.00 0.00 H new ATOM 0 HD12 LEU A 61 119.909 -22.166 10.658 1.00 0.00 H new ATOM 0 HD13 LEU A 61 118.721 -21.968 11.968 1.00 0.00 H new ATOM 0 HD21 LEU A 61 116.745 -24.063 10.860 1.00 0.00 H new ATOM 0 HD22 LEU A 61 116.266 -22.462 11.472 1.00 0.00 H new ATOM 0 HD23 LEU A 61 115.820 -22.953 9.821 1.00 0.00 H new ATOM 991 N LYS A 62 118.200 -19.001 7.726 1.00 0.00 N ATOM 992 CA LYS A 62 118.669 -17.697 7.268 1.00 0.00 C ATOM 993 C LYS A 62 117.797 -17.122 6.148 1.00 0.00 C ATOM 994 O LYS A 62 117.362 -15.975 6.233 1.00 0.00 O ATOM 995 CB LYS A 62 120.132 -17.802 6.799 1.00 0.00 C ATOM 996 CG LYS A 62 121.171 -17.976 7.908 1.00 0.00 C ATOM 997 CD LYS A 62 121.391 -16.670 8.649 1.00 0.00 C ATOM 998 CE LYS A 62 122.450 -16.805 9.723 1.00 0.00 C ATOM 999 NZ LYS A 62 122.815 -15.499 10.298 1.00 0.00 N ATOM 0 H LYS A 62 118.942 -19.700 7.756 1.00 0.00 H new ATOM 0 HA LYS A 62 118.600 -17.011 8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 62 120.215 -18.645 6.113 1.00 0.00 H new ATOM 0 HB3 LYS A 62 120.378 -16.904 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 62 120.839 -18.744 8.606 1.00 0.00 H new ATOM 0 HG3 LYS A 62 122.113 -18.320 7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 62 121.688 -15.896 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 62 120.454 -16.346 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 62 122.085 -17.461 10.513 1.00 0.00 H new ATOM 0 HE3 LYS A 62 123.337 -17.277 9.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 123.090 -15.623 11.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 123.613 -15.096 9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 122.001 -14.855 10.241 1.00 0.00 H new ATOM 1013 N ALA A 63 117.515 -17.924 5.122 1.00 0.00 N ATOM 1014 CA ALA A 63 116.720 -17.452 3.995 1.00 0.00 C ATOM 1015 C ALA A 63 115.315 -17.110 4.424 1.00 0.00 C ATOM 1016 O ALA A 63 114.825 -16.027 4.129 1.00 0.00 O ATOM 1017 CB ALA A 63 116.691 -18.463 2.862 1.00 0.00 C ATOM 0 H ALA A 63 117.823 -18.894 5.050 1.00 0.00 H new ATOM 0 HA ALA A 63 117.201 -16.547 3.625 1.00 0.00 H new ATOM 0 HB1 ALA A 63 116.088 -18.073 2.042 1.00 0.00 H new ATOM 0 HB2 ALA A 63 117.707 -18.646 2.511 1.00 0.00 H new ATOM 0 HB3 ALA A 63 116.257 -19.397 3.219 1.00 0.00 H new ATOM 1023 N LYS A 64 114.674 -18.024 5.150 1.00 0.00 N ATOM 1024 CA LYS A 64 113.303 -17.795 5.603 1.00 0.00 C ATOM 1025 C LYS A 64 113.231 -16.569 6.544 1.00 0.00 C ATOM 1026 O LYS A 64 112.217 -15.860 6.585 1.00 0.00 O ATOM 1027 CB LYS A 64 112.740 -19.044 6.298 1.00 0.00 C ATOM 1028 CG LYS A 64 111.237 -18.987 6.587 1.00 0.00 C ATOM 1029 CD LYS A 64 110.400 -18.979 5.298 1.00 0.00 C ATOM 1030 CE LYS A 64 110.539 -20.286 4.503 1.00 0.00 C ATOM 1031 NZ LYS A 64 110.009 -21.463 5.237 1.00 0.00 N ATOM 0 H LYS A 64 115.075 -18.918 5.434 1.00 0.00 H new ATOM 0 HA LYS A 64 112.690 -17.588 4.726 1.00 0.00 H new ATOM 0 HB2 LYS A 64 112.944 -19.914 5.675 1.00 0.00 H new ATOM 0 HB3 LYS A 64 113.272 -19.193 7.237 1.00 0.00 H new ATOM 0 HG2 LYS A 64 110.953 -19.844 7.198 1.00 0.00 H new ATOM 0 HG3 LYS A 64 111.014 -18.093 7.169 1.00 0.00 H new ATOM 0 HD2 LYS A 64 109.352 -18.819 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 64 110.709 -18.142 4.672 1.00 0.00 H new ATOM 0 HE2 LYS A 64 110.012 -20.187 3.554 1.00 0.00 H new ATOM 0 HE3 LYS A 64 111.590 -20.453 4.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 110.003 -22.291 4.607 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 110.613 -21.659 6.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 109.040 -21.265 5.558 1.00 0.00 H new ATOM 1045 N ALA A 65 114.299 -16.330 7.289 1.00 0.00 N ATOM 1046 CA ALA A 65 114.386 -15.187 8.185 1.00 0.00 C ATOM 1047 C ALA A 65 114.420 -13.884 7.391 1.00 0.00 C ATOM 1048 O ALA A 65 113.540 -13.034 7.549 1.00 0.00 O ATOM 1049 CB ALA A 65 115.608 -15.303 9.080 1.00 0.00 C ATOM 0 H ALA A 65 115.129 -16.922 7.290 1.00 0.00 H new ATOM 0 HA ALA A 65 113.499 -15.177 8.818 1.00 0.00 H new ATOM 0 HB1 ALA A 65 115.657 -14.439 9.743 1.00 0.00 H new ATOM 0 HB2 ALA A 65 115.538 -16.214 9.675 1.00 0.00 H new ATOM 0 HB3 ALA A 65 116.507 -15.339 8.465 1.00 0.00 H new ATOM 1055 N ILE A 66 115.398 -13.775 6.492 1.00 0.00 N ATOM 1056 CA ILE A 66 115.591 -12.586 5.643 1.00 0.00 C ATOM 1057 C ILE A 66 114.352 -12.348 4.757 1.00 0.00 C ATOM 1058 O ILE A 66 113.986 -11.208 4.444 1.00 0.00 O ATOM 1059 CB ILE A 66 116.882 -12.746 4.774 1.00 0.00 C ATOM 1060 CG1 ILE A 66 118.113 -12.868 5.688 1.00 0.00 C ATOM 1061 CG2 ILE A 66 117.058 -11.576 3.799 1.00 0.00 C ATOM 1062 CD1 ILE A 66 119.408 -13.164 4.960 1.00 0.00 C ATOM 0 H ILE A 66 116.086 -14.510 6.327 1.00 0.00 H new ATOM 0 HA ILE A 66 115.718 -11.713 6.284 1.00 0.00 H new ATOM 0 HB ILE A 66 116.778 -13.654 4.180 1.00 0.00 H new ATOM 0 HG12 ILE A 66 118.229 -11.939 6.246 1.00 0.00 H new ATOM 0 HG13 ILE A 66 117.932 -13.658 6.417 1.00 0.00 H new ATOM 0 HG21 ILE A 66 117.965 -11.724 3.213 1.00 0.00 H new ATOM 0 HG22 ILE A 66 116.199 -11.527 3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 66 117.135 -10.644 4.359 1.00 0.00 H new ATOM 0 HD11 ILE A 66 120.223 -13.233 5.681 1.00 0.00 H new ATOM 0 HD12 ILE A 66 119.316 -14.109 4.424 1.00 0.00 H new ATOM 0 HD13 ILE A 66 119.618 -12.363 4.251 1.00 0.00 H new ATOM 1074 N TYR A 67 113.708 -13.430 4.396 1.00 0.00 N ATOM 1075 CA TYR A 67 112.483 -13.409 3.626 1.00 0.00 C ATOM 1076 C TYR A 67 111.397 -12.579 4.330 1.00 0.00 C ATOM 1077 O TYR A 67 110.982 -11.531 3.827 1.00 0.00 O ATOM 1078 CB TYR A 67 112.008 -14.844 3.425 1.00 0.00 C ATOM 1079 CG TYR A 67 110.733 -14.980 2.662 1.00 0.00 C ATOM 1080 CD1 TYR A 67 110.670 -14.599 1.343 1.00 0.00 C ATOM 1081 CD2 TYR A 67 109.596 -15.497 3.260 1.00 0.00 C ATOM 1082 CE1 TYR A 67 109.518 -14.719 0.625 1.00 0.00 C ATOM 1083 CE2 TYR A 67 108.428 -15.629 2.556 1.00 0.00 C ATOM 1084 CZ TYR A 67 108.386 -15.242 1.239 1.00 0.00 C ATOM 1085 OH TYR A 67 107.217 -15.381 0.537 1.00 0.00 O ATOM 0 H TYR A 67 114.025 -14.370 4.633 1.00 0.00 H new ATOM 0 HA TYR A 67 112.676 -12.941 2.660 1.00 0.00 H new ATOM 0 HB2 TYR A 67 112.788 -15.400 2.905 1.00 0.00 H new ATOM 0 HB3 TYR A 67 111.882 -15.310 4.402 1.00 0.00 H new ATOM 0 HD1 TYR A 67 111.551 -14.196 0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 67 109.630 -15.800 4.296 1.00 0.00 H new ATOM 0 HE1 TYR A 67 109.485 -14.411 -0.410 1.00 0.00 H new ATOM 0 HE2 TYR A 67 107.548 -16.034 3.033 1.00 0.00 H new ATOM 0 HH TYR A 67 106.709 -14.544 0.579 1.00 0.00 H new ATOM 1095 N GLU A 68 111.006 -13.007 5.521 1.00 0.00 N ATOM 1096 CA GLU A 68 109.906 -12.367 6.256 1.00 0.00 C ATOM 1097 C GLU A 68 110.311 -10.992 6.791 1.00 0.00 C ATOM 1098 O GLU A 68 109.461 -10.144 7.080 1.00 0.00 O ATOM 1099 CB GLU A 68 109.455 -13.255 7.413 1.00 0.00 C ATOM 1100 CG GLU A 68 109.087 -14.674 7.005 1.00 0.00 C ATOM 1101 CD GLU A 68 108.570 -15.491 8.162 1.00 0.00 C ATOM 1102 OE1 GLU A 68 109.249 -15.563 9.218 1.00 0.00 O ATOM 1103 OE2 GLU A 68 107.483 -16.082 8.044 1.00 0.00 O ATOM 0 H GLU A 68 111.431 -13.797 6.007 1.00 0.00 H new ATOM 0 HA GLU A 68 109.080 -12.231 5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 68 110.252 -13.298 8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 68 108.594 -12.793 7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 68 108.330 -14.639 6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 68 109.962 -15.165 6.580 1.00 0.00 H new ATOM 1110 N LYS A 69 111.596 -10.794 6.908 1.00 0.00 N ATOM 1111 CA LYS A 69 112.171 -9.573 7.432 1.00 0.00 C ATOM 1112 C LYS A 69 112.220 -8.476 6.353 1.00 0.00 C ATOM 1113 O LYS A 69 112.042 -7.286 6.652 1.00 0.00 O ATOM 1114 CB LYS A 69 113.609 -9.883 7.882 1.00 0.00 C ATOM 1115 CG LYS A 69 114.344 -8.776 8.627 1.00 0.00 C ATOM 1116 CD LYS A 69 113.899 -8.669 10.066 1.00 0.00 C ATOM 1117 CE LYS A 69 114.732 -7.651 10.824 1.00 0.00 C ATOM 1118 NZ LYS A 69 114.451 -7.677 12.273 1.00 0.00 N ATOM 0 H LYS A 69 112.292 -11.489 6.637 1.00 0.00 H new ATOM 0 HA LYS A 69 111.559 -9.216 8.260 1.00 0.00 H new ATOM 0 HB2 LYS A 69 113.583 -10.765 8.522 1.00 0.00 H new ATOM 0 HB3 LYS A 69 114.193 -10.146 7.000 1.00 0.00 H new ATOM 0 HG2 LYS A 69 115.417 -8.967 8.593 1.00 0.00 H new ATOM 0 HG3 LYS A 69 114.173 -7.825 8.123 1.00 0.00 H new ATOM 0 HD2 LYS A 69 112.848 -8.383 10.104 1.00 0.00 H new ATOM 0 HD3 LYS A 69 113.982 -9.643 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 69 115.790 -7.851 10.656 1.00 0.00 H new ATOM 0 HE3 LYS A 69 114.530 -6.654 10.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 115.040 -6.967 12.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 113.447 -7.461 12.436 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 114.668 -8.621 12.652 1.00 0.00 H new ATOM 1132 N PHE A 70 112.384 -8.877 5.094 1.00 0.00 N ATOM 1133 CA PHE A 70 112.712 -7.926 4.043 1.00 0.00 C ATOM 1134 C PHE A 70 111.923 -8.171 2.775 1.00 0.00 C ATOM 1135 O PHE A 70 111.243 -7.275 2.280 1.00 0.00 O ATOM 1136 CB PHE A 70 114.210 -8.006 3.687 1.00 0.00 C ATOM 1137 CG PHE A 70 115.185 -7.533 4.728 1.00 0.00 C ATOM 1138 CD1 PHE A 70 115.328 -6.184 5.002 1.00 0.00 C ATOM 1139 CD2 PHE A 70 115.991 -8.435 5.400 1.00 0.00 C ATOM 1140 CE1 PHE A 70 116.249 -5.745 5.930 1.00 0.00 C ATOM 1141 CE2 PHE A 70 116.912 -8.003 6.332 1.00 0.00 C ATOM 1142 CZ PHE A 70 117.040 -6.654 6.597 1.00 0.00 C ATOM 0 H PHE A 70 112.296 -9.844 4.782 1.00 0.00 H new ATOM 0 HA PHE A 70 112.457 -6.942 4.436 1.00 0.00 H new ATOM 0 HB2 PHE A 70 114.446 -9.043 3.448 1.00 0.00 H new ATOM 0 HB3 PHE A 70 114.374 -7.424 2.780 1.00 0.00 H new ATOM 0 HD1 PHE A 70 114.711 -5.466 4.483 1.00 0.00 H new ATOM 0 HD2 PHE A 70 115.898 -9.491 5.192 1.00 0.00 H new ATOM 0 HE1 PHE A 70 116.350 -4.689 6.134 1.00 0.00 H new ATOM 0 HE2 PHE A 70 117.531 -8.718 6.853 1.00 0.00 H new ATOM 0 HZ PHE A 70 117.759 -6.312 7.326 1.00 0.00 H new ATOM 1152 N ILE A 71 112.022 -9.395 2.264 1.00 0.00 N ATOM 1153 CA ILE A 71 111.430 -9.798 0.971 1.00 0.00 C ATOM 1154 C ILE A 71 109.919 -9.636 0.990 1.00 0.00 C ATOM 1155 O ILE A 71 109.264 -9.475 -0.058 1.00 0.00 O ATOM 1156 CB ILE A 71 111.809 -11.283 0.641 1.00 0.00 C ATOM 1157 CG1 ILE A 71 113.325 -11.419 0.569 1.00 0.00 C ATOM 1158 CG2 ILE A 71 111.164 -11.806 -0.657 1.00 0.00 C ATOM 1159 CD1 ILE A 71 113.972 -10.487 -0.435 1.00 0.00 C ATOM 0 H ILE A 71 112.520 -10.151 2.734 1.00 0.00 H new ATOM 0 HA ILE A 71 111.833 -9.147 0.195 1.00 0.00 H new ATOM 0 HB ILE A 71 111.412 -11.899 1.448 1.00 0.00 H new ATOM 0 HG12 ILE A 71 113.746 -11.225 1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 71 113.577 -12.448 0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 71 111.469 -12.839 -0.824 1.00 0.00 H new ATOM 0 HG22 ILE A 71 110.079 -11.758 -0.569 1.00 0.00 H new ATOM 0 HG23 ILE A 71 111.488 -11.192 -1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 71 115.051 -10.640 -0.431 1.00 0.00 H new ATOM 0 HD12 ILE A 71 113.580 -10.696 -1.430 1.00 0.00 H new ATOM 0 HD13 ILE A 71 113.751 -9.454 -0.167 1.00 0.00 H new ATOM 1171 N GLN A 72 109.368 -9.673 2.166 1.00 0.00 N ATOM 1172 CA GLN A 72 107.958 -9.497 2.304 1.00 0.00 C ATOM 1173 C GLN A 72 107.538 -8.094 2.087 1.00 0.00 C ATOM 1174 O GLN A 72 108.290 -7.137 2.287 1.00 0.00 O ATOM 1175 CB GLN A 72 107.439 -10.015 3.609 1.00 0.00 C ATOM 1176 CG GLN A 72 107.497 -11.476 3.665 1.00 0.00 C ATOM 1177 CD GLN A 72 106.491 -12.142 2.744 1.00 0.00 C ATOM 1178 OE1 GLN A 72 106.774 -12.398 1.574 1.00 0.00 O ATOM 1179 NE2 GLN A 72 105.328 -12.432 3.249 1.00 0.00 N ATOM 0 H GLN A 72 109.873 -9.823 3.039 1.00 0.00 H new ATOM 0 HA GLN A 72 107.509 -10.098 1.514 1.00 0.00 H new ATOM 0 HB2 GLN A 72 108.024 -9.595 4.427 1.00 0.00 H new ATOM 0 HB3 GLN A 72 106.410 -9.685 3.750 1.00 0.00 H new ATOM 0 HG2 GLN A 72 108.501 -11.805 3.397 1.00 0.00 H new ATOM 0 HG3 GLN A 72 107.317 -11.803 4.689 1.00 0.00 H new ATOM 0 HE21 GLN A 72 105.124 -12.207 4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 72 104.620 -12.885 2.671 1.00 0.00 H new ATOM 1188 N THR A 73 106.356 -7.986 1.682 1.00 0.00 N ATOM 1189 CA THR A 73 105.750 -6.733 1.415 1.00 0.00 C ATOM 1190 C THR A 73 105.182 -6.188 2.721 1.00 0.00 C ATOM 1191 O THR A 73 105.384 -5.043 3.080 1.00 0.00 O ATOM 1192 CB THR A 73 104.661 -6.910 0.357 1.00 0.00 C ATOM 1193 OG1 THR A 73 105.253 -7.495 -0.831 1.00 0.00 O ATOM 1194 CG2 THR A 73 104.026 -5.581 0.021 1.00 0.00 C ATOM 0 H THR A 73 105.744 -8.785 1.515 1.00 0.00 H new ATOM 0 HA THR A 73 106.478 -6.022 1.024 1.00 0.00 H new ATOM 0 HB THR A 73 103.883 -7.568 0.745 1.00 0.00 H new ATOM 0 HG1 THR A 73 104.562 -7.614 -1.516 1.00 0.00 H new ATOM 0 HG21 THR A 73 103.253 -5.727 -0.734 1.00 0.00 H new ATOM 0 HG22 THR A 73 103.580 -5.154 0.919 1.00 0.00 H new ATOM 0 HG23 THR A 73 104.786 -4.902 -0.365 1.00 0.00 H new ATOM 1202 N ASP A 74 104.542 -7.050 3.462 1.00 0.00 N ATOM 1203 CA ASP A 74 104.020 -6.707 4.786 1.00 0.00 C ATOM 1204 C ASP A 74 105.092 -6.977 5.847 1.00 0.00 C ATOM 1205 O ASP A 74 104.795 -7.196 7.012 1.00 0.00 O ATOM 1206 CB ASP A 74 102.732 -7.498 5.100 1.00 0.00 C ATOM 1207 CG ASP A 74 102.931 -8.999 5.160 1.00 0.00 C ATOM 1208 OD1 ASP A 74 103.062 -9.634 4.083 1.00 0.00 O ATOM 1209 OD2 ASP A 74 102.948 -9.578 6.274 1.00 0.00 O ATOM 0 H ASP A 74 104.360 -8.013 3.179 1.00 0.00 H new ATOM 0 HA ASP A 74 103.765 -5.647 4.796 1.00 0.00 H new ATOM 0 HB2 ASP A 74 102.331 -7.156 6.054 1.00 0.00 H new ATOM 0 HB3 ASP A 74 101.984 -7.271 4.341 1.00 0.00 H new ATOM 1214 N ALA A 75 106.338 -6.905 5.428 1.00 0.00 N ATOM 1215 CA ALA A 75 107.473 -7.116 6.298 1.00 0.00 C ATOM 1216 C ALA A 75 107.717 -5.867 7.120 1.00 0.00 C ATOM 1217 O ALA A 75 107.302 -4.776 6.722 1.00 0.00 O ATOM 1218 CB ALA A 75 108.713 -7.425 5.470 1.00 0.00 C ATOM 0 H ALA A 75 106.593 -6.696 4.463 1.00 0.00 H new ATOM 0 HA ALA A 75 107.264 -7.957 6.959 1.00 0.00 H new ATOM 0 HB1 ALA A 75 109.563 -7.583 6.133 1.00 0.00 H new ATOM 0 HB2 ALA A 75 108.541 -8.325 4.880 1.00 0.00 H new ATOM 0 HB3 ALA A 75 108.923 -6.589 4.803 1.00 0.00 H new ATOM 1224 N PRO A 76 108.401 -5.994 8.272 1.00 0.00 N ATOM 1225 CA PRO A 76 108.722 -4.849 9.125 1.00 0.00 C ATOM 1226 C PRO A 76 109.658 -3.857 8.419 1.00 0.00 C ATOM 1227 O PRO A 76 109.697 -2.667 8.754 1.00 0.00 O ATOM 1228 CB PRO A 76 109.414 -5.480 10.341 1.00 0.00 C ATOM 1229 CG PRO A 76 109.883 -6.810 9.869 1.00 0.00 C ATOM 1230 CD PRO A 76 108.878 -7.263 8.863 1.00 0.00 C ATOM 0 HA PRO A 76 107.836 -4.272 9.389 1.00 0.00 H new ATOM 0 HB2 PRO A 76 110.247 -4.866 10.684 1.00 0.00 H new ATOM 0 HB3 PRO A 76 108.725 -5.579 11.180 1.00 0.00 H new ATOM 0 HG2 PRO A 76 110.876 -6.739 9.425 1.00 0.00 H new ATOM 0 HG3 PRO A 76 109.953 -7.516 10.697 1.00 0.00 H new ATOM 0 HD2 PRO A 76 109.325 -7.915 8.112 1.00 0.00 H new ATOM 0 HD3 PRO A 76 108.066 -7.822 9.328 1.00 0.00 H new ATOM 1238 N LYS A 77 110.415 -4.350 7.450 1.00 0.00 N ATOM 1239 CA LYS A 77 111.293 -3.487 6.697 1.00 0.00 C ATOM 1240 C LYS A 77 110.700 -3.144 5.345 1.00 0.00 C ATOM 1241 O LYS A 77 110.626 -1.968 4.993 1.00 0.00 O ATOM 1242 CB LYS A 77 112.709 -4.072 6.565 1.00 0.00 C ATOM 1243 CG LYS A 77 113.535 -4.132 7.874 1.00 0.00 C ATOM 1244 CD LYS A 77 114.016 -2.741 8.369 1.00 0.00 C ATOM 1245 CE LYS A 77 112.886 -1.855 8.878 1.00 0.00 C ATOM 1246 NZ LYS A 77 113.337 -0.496 9.229 1.00 0.00 N ATOM 0 H LYS A 77 110.435 -5.332 7.174 1.00 0.00 H new ATOM 0 HA LYS A 77 111.390 -2.559 7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 77 112.629 -5.081 6.161 1.00 0.00 H new ATOM 0 HB3 LYS A 77 113.261 -3.479 5.836 1.00 0.00 H new ATOM 0 HG2 LYS A 77 112.932 -4.597 8.654 1.00 0.00 H new ATOM 0 HG3 LYS A 77 114.403 -4.773 7.717 1.00 0.00 H new ATOM 0 HD2 LYS A 77 114.746 -2.880 9.167 1.00 0.00 H new ATOM 0 HD3 LYS A 77 114.528 -2.231 7.553 1.00 0.00 H new ATOM 0 HE2 LYS A 77 112.111 -1.789 8.115 1.00 0.00 H new ATOM 0 HE3 LYS A 77 112.433 -2.320 9.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 112.561 0.018 9.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 114.149 -0.556 9.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 113.619 0.010 8.365 1.00 0.00 H new ATOM 1260 N GLU A 78 110.258 -4.174 4.616 1.00 0.00 N ATOM 1261 CA GLU A 78 109.646 -4.031 3.280 1.00 0.00 C ATOM 1262 C GLU A 78 110.675 -3.466 2.265 1.00 0.00 C ATOM 1263 O GLU A 78 110.996 -2.261 2.273 1.00 0.00 O ATOM 1264 CB GLU A 78 108.389 -3.128 3.322 1.00 0.00 C ATOM 1265 CG GLU A 78 107.717 -2.938 1.971 1.00 0.00 C ATOM 1266 CD GLU A 78 106.728 -1.798 1.959 1.00 0.00 C ATOM 1267 OE1 GLU A 78 107.166 -0.631 2.001 1.00 0.00 O ATOM 1268 OE2 GLU A 78 105.510 -2.030 1.897 1.00 0.00 O ATOM 0 H GLU A 78 110.313 -5.141 4.935 1.00 0.00 H new ATOM 0 HA GLU A 78 109.336 -5.024 2.955 1.00 0.00 H new ATOM 0 HB2 GLU A 78 107.668 -3.559 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 78 108.669 -2.152 3.717 1.00 0.00 H new ATOM 0 HG2 GLU A 78 108.480 -2.757 1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 78 107.205 -3.859 1.694 1.00 0.00 H new ATOM 1275 N VAL A 79 111.194 -4.313 1.420 1.00 0.00 N ATOM 1276 CA VAL A 79 112.192 -3.884 0.446 1.00 0.00 C ATOM 1277 C VAL A 79 111.515 -3.406 -0.834 1.00 0.00 C ATOM 1278 O VAL A 79 110.531 -3.995 -1.277 1.00 0.00 O ATOM 1279 CB VAL A 79 113.176 -5.043 0.099 1.00 0.00 C ATOM 1280 CG1 VAL A 79 114.286 -4.594 -0.839 1.00 0.00 C ATOM 1281 CG2 VAL A 79 113.775 -5.611 1.344 1.00 0.00 C ATOM 0 H VAL A 79 110.952 -5.303 1.376 1.00 0.00 H new ATOM 0 HA VAL A 79 112.755 -3.064 0.893 1.00 0.00 H new ATOM 0 HB VAL A 79 112.594 -5.810 -0.413 1.00 0.00 H new ATOM 0 HG11 VAL A 79 114.945 -5.435 -1.051 1.00 0.00 H new ATOM 0 HG12 VAL A 79 113.851 -4.230 -1.770 1.00 0.00 H new ATOM 0 HG13 VAL A 79 114.858 -3.794 -0.369 1.00 0.00 H new ATOM 0 HG21 VAL A 79 114.459 -6.419 1.083 1.00 0.00 H new ATOM 0 HG22 VAL A 79 114.321 -4.830 1.874 1.00 0.00 H new ATOM 0 HG23 VAL A 79 112.983 -5.999 1.985 1.00 0.00 H new ATOM 1291 N ASN A 80 112.072 -2.361 -1.438 1.00 0.00 N ATOM 1292 CA ASN A 80 111.617 -1.796 -2.738 1.00 0.00 C ATOM 1293 C ASN A 80 112.131 -2.674 -3.885 1.00 0.00 C ATOM 1294 O ASN A 80 112.533 -2.193 -4.960 1.00 0.00 O ATOM 1295 CB ASN A 80 112.167 -0.375 -2.919 1.00 0.00 C ATOM 1296 CG ASN A 80 111.595 0.641 -1.952 1.00 0.00 C ATOM 1297 OD1 ASN A 80 110.584 1.288 -2.238 1.00 0.00 O ATOM 1298 ND2 ASN A 80 112.228 0.797 -0.820 1.00 0.00 N ATOM 0 H ASN A 80 112.869 -1.862 -1.043 1.00 0.00 H new ATOM 0 HA ASN A 80 110.527 -1.768 -2.746 1.00 0.00 H new ATOM 0 HB2 ASN A 80 113.251 -0.400 -2.804 1.00 0.00 H new ATOM 0 HB3 ASN A 80 111.962 -0.045 -3.938 1.00 0.00 H new ATOM 0 HD21 ASN A 80 111.890 1.473 -0.135 1.00 0.00 H new ATOM 0 HD22 ASN A 80 113.061 0.243 -0.621 1.00 0.00 H new ATOM 1305 N LEU A 81 112.049 -3.941 -3.663 1.00 0.00 N ATOM 1306 CA LEU A 81 112.563 -4.953 -4.526 1.00 0.00 C ATOM 1307 C LEU A 81 111.625 -5.188 -5.704 1.00 0.00 C ATOM 1308 O LEU A 81 110.411 -5.049 -5.579 1.00 0.00 O ATOM 1309 CB LEU A 81 112.729 -6.222 -3.684 1.00 0.00 C ATOM 1310 CG LEU A 81 113.286 -7.459 -4.345 1.00 0.00 C ATOM 1311 CD1 LEU A 81 114.716 -7.217 -4.718 1.00 0.00 C ATOM 1312 CD2 LEU A 81 113.168 -8.658 -3.410 1.00 0.00 C ATOM 0 H LEU A 81 111.598 -4.321 -2.831 1.00 0.00 H new ATOM 0 HA LEU A 81 113.522 -4.652 -4.948 1.00 0.00 H new ATOM 0 HB2 LEU A 81 113.375 -5.978 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 81 111.752 -6.477 -3.274 1.00 0.00 H new ATOM 0 HG LEU A 81 112.714 -7.678 -5.247 1.00 0.00 H new ATOM 0 HD11 LEU A 81 115.123 -8.108 -5.196 1.00 0.00 H new ATOM 0 HD12 LEU A 81 114.775 -6.376 -5.409 1.00 0.00 H new ATOM 0 HD13 LEU A 81 115.293 -6.991 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 81 113.574 -9.543 -3.900 1.00 0.00 H new ATOM 0 HD22 LEU A 81 113.727 -8.462 -2.495 1.00 0.00 H new ATOM 0 HD23 LEU A 81 112.119 -8.827 -3.166 1.00 0.00 H new ATOM 1324 N ASP A 82 112.205 -5.481 -6.841 1.00 0.00 N ATOM 1325 CA ASP A 82 111.472 -5.825 -8.062 1.00 0.00 C ATOM 1326 C ASP A 82 110.471 -6.966 -7.832 1.00 0.00 C ATOM 1327 O ASP A 82 110.780 -7.945 -7.128 1.00 0.00 O ATOM 1328 CB ASP A 82 112.467 -6.209 -9.159 1.00 0.00 C ATOM 1329 CG ASP A 82 111.822 -6.857 -10.360 1.00 0.00 C ATOM 1330 OD1 ASP A 82 111.235 -6.144 -11.197 1.00 0.00 O ATOM 1331 OD2 ASP A 82 111.891 -8.105 -10.473 1.00 0.00 O ATOM 0 H ASP A 82 113.218 -5.491 -6.960 1.00 0.00 H new ATOM 0 HA ASP A 82 110.898 -4.951 -8.369 1.00 0.00 H new ATOM 0 HB2 ASP A 82 113.002 -5.316 -9.482 1.00 0.00 H new ATOM 0 HB3 ASP A 82 113.208 -6.891 -8.743 1.00 0.00 H new ATOM 1336 N PHE A 83 109.284 -6.821 -8.429 1.00 0.00 N ATOM 1337 CA PHE A 83 108.193 -7.799 -8.318 1.00 0.00 C ATOM 1338 C PHE A 83 108.625 -9.194 -8.673 1.00 0.00 C ATOM 1339 O PHE A 83 108.513 -10.098 -7.861 1.00 0.00 O ATOM 1340 CB PHE A 83 107.011 -7.429 -9.206 1.00 0.00 C ATOM 1341 CG PHE A 83 106.164 -6.328 -8.700 1.00 0.00 C ATOM 1342 CD1 PHE A 83 105.108 -6.615 -7.869 1.00 0.00 C ATOM 1343 CD2 PHE A 83 106.401 -5.021 -9.063 1.00 0.00 C ATOM 1344 CE1 PHE A 83 104.289 -5.613 -7.395 1.00 0.00 C ATOM 1345 CE2 PHE A 83 105.590 -4.005 -8.600 1.00 0.00 C ATOM 1346 CZ PHE A 83 104.531 -4.301 -7.762 1.00 0.00 C ATOM 0 H PHE A 83 109.050 -6.015 -9.008 1.00 0.00 H new ATOM 0 HA PHE A 83 107.895 -7.776 -7.270 1.00 0.00 H new ATOM 0 HB2 PHE A 83 107.389 -7.152 -10.190 1.00 0.00 H new ATOM 0 HB3 PHE A 83 106.388 -8.313 -9.341 1.00 0.00 H new ATOM 0 HD1 PHE A 83 104.917 -7.639 -7.584 1.00 0.00 H new ATOM 0 HD2 PHE A 83 107.229 -4.789 -9.716 1.00 0.00 H new ATOM 0 HE1 PHE A 83 103.463 -5.850 -6.741 1.00 0.00 H new ATOM 0 HE2 PHE A 83 105.782 -2.983 -8.891 1.00 0.00 H new ATOM 0 HZ PHE A 83 103.894 -3.510 -7.395 1.00 0.00 H new ATOM 1356 N HIS A 84 109.138 -9.367 -9.876 1.00 0.00 N ATOM 1357 CA HIS A 84 109.518 -10.684 -10.346 1.00 0.00 C ATOM 1358 C HIS A 84 110.632 -11.277 -9.483 1.00 0.00 C ATOM 1359 O HIS A 84 110.666 -12.478 -9.250 1.00 0.00 O ATOM 1360 CB HIS A 84 109.897 -10.666 -11.844 1.00 0.00 C ATOM 1361 CG HIS A 84 110.366 -11.995 -12.402 1.00 0.00 C ATOM 1362 ND1 HIS A 84 109.513 -13.018 -12.748 1.00 0.00 N ATOM 1363 CD2 HIS A 84 111.615 -12.457 -12.662 1.00 0.00 C ATOM 1364 CE1 HIS A 84 110.212 -14.041 -13.189 1.00 0.00 C ATOM 1365 NE2 HIS A 84 111.480 -13.726 -13.147 1.00 0.00 N ATOM 0 H HIS A 84 109.301 -8.613 -10.544 1.00 0.00 H new ATOM 0 HA HIS A 84 108.649 -11.334 -10.248 1.00 0.00 H new ATOM 0 HB2 HIS A 84 109.032 -10.333 -12.418 1.00 0.00 H new ATOM 0 HB3 HIS A 84 110.684 -9.927 -11.995 1.00 0.00 H new ATOM 0 HD2 HIS A 84 112.541 -11.922 -12.513 1.00 0.00 H new ATOM 0 HE1 HIS A 84 109.807 -14.983 -13.529 1.00 0.00 H new ATOM 0 HE2 HIS A 84 112.248 -14.333 -13.432 1.00 0.00 H new ATOM 1374 N THR A 85 111.509 -10.425 -9.009 1.00 0.00 N ATOM 1375 CA THR A 85 112.585 -10.837 -8.147 1.00 0.00 C ATOM 1376 C THR A 85 112.033 -11.406 -6.830 1.00 0.00 C ATOM 1377 O THR A 85 112.321 -12.551 -6.480 1.00 0.00 O ATOM 1378 CB THR A 85 113.530 -9.663 -7.856 1.00 0.00 C ATOM 1379 OG1 THR A 85 113.987 -9.091 -9.110 1.00 0.00 O ATOM 1380 CG2 THR A 85 114.725 -10.124 -7.031 1.00 0.00 C ATOM 0 H THR A 85 111.495 -9.425 -9.212 1.00 0.00 H new ATOM 0 HA THR A 85 113.148 -11.617 -8.659 1.00 0.00 H new ATOM 0 HB THR A 85 112.989 -8.909 -7.284 1.00 0.00 H new ATOM 0 HG1 THR A 85 113.213 -8.835 -9.654 1.00 0.00 H new ATOM 0 HG21 THR A 85 115.382 -9.276 -6.836 1.00 0.00 H new ATOM 0 HG22 THR A 85 114.376 -10.537 -6.085 1.00 0.00 H new ATOM 0 HG23 THR A 85 115.273 -10.889 -7.581 1.00 0.00 H new ATOM 1388 N LYS A 86 111.195 -10.621 -6.132 1.00 0.00 N ATOM 1389 CA LYS A 86 110.631 -11.070 -4.861 1.00 0.00 C ATOM 1390 C LYS A 86 109.719 -12.270 -5.079 1.00 0.00 C ATOM 1391 O LYS A 86 109.628 -13.145 -4.233 1.00 0.00 O ATOM 1392 CB LYS A 86 109.903 -9.930 -4.090 1.00 0.00 C ATOM 1393 CG LYS A 86 108.642 -9.377 -4.746 1.00 0.00 C ATOM 1394 CD LYS A 86 107.987 -8.274 -3.905 1.00 0.00 C ATOM 1395 CE LYS A 86 108.833 -7.008 -3.853 1.00 0.00 C ATOM 1396 NZ LYS A 86 108.201 -5.935 -3.046 1.00 0.00 N ATOM 0 H LYS A 86 110.901 -9.689 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 86 111.463 -11.378 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 86 109.641 -10.299 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 86 110.605 -9.108 -3.949 1.00 0.00 H new ATOM 0 HG2 LYS A 86 108.891 -8.981 -5.731 1.00 0.00 H new ATOM 0 HG3 LYS A 86 107.929 -10.187 -4.899 1.00 0.00 H new ATOM 0 HD2 LYS A 86 107.007 -8.037 -4.320 1.00 0.00 H new ATOM 0 HD3 LYS A 86 107.824 -8.641 -2.892 1.00 0.00 H new ATOM 0 HE2 LYS A 86 109.811 -7.245 -3.434 1.00 0.00 H new ATOM 0 HE3 LYS A 86 109.000 -6.645 -4.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 108.816 -5.096 -3.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 107.279 -5.687 -3.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 108.065 -6.269 -2.071 1.00 0.00 H new ATOM 1410 N GLU A 87 109.085 -12.309 -6.244 1.00 0.00 N ATOM 1411 CA GLU A 87 108.230 -13.407 -6.656 1.00 0.00 C ATOM 1412 C GLU A 87 108.995 -14.725 -6.611 1.00 0.00 C ATOM 1413 O GLU A 87 108.594 -15.662 -5.918 1.00 0.00 O ATOM 1414 CB GLU A 87 107.725 -13.174 -8.078 1.00 0.00 C ATOM 1415 CG GLU A 87 106.831 -14.271 -8.605 1.00 0.00 C ATOM 1416 CD GLU A 87 105.518 -14.336 -7.887 1.00 0.00 C ATOM 1417 OE1 GLU A 87 104.597 -13.576 -8.248 1.00 0.00 O ATOM 1418 OE2 GLU A 87 105.366 -15.133 -6.966 1.00 0.00 O ATOM 0 H GLU A 87 109.154 -11.565 -6.938 1.00 0.00 H new ATOM 0 HA GLU A 87 107.385 -13.457 -5.969 1.00 0.00 H new ATOM 0 HB2 GLU A 87 107.180 -12.231 -8.108 1.00 0.00 H new ATOM 0 HB3 GLU A 87 108.582 -13.068 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 87 106.652 -14.110 -9.668 1.00 0.00 H new ATOM 0 HG3 GLU A 87 107.342 -15.229 -8.509 1.00 0.00 H new ATOM 1425 N VAL A 88 110.111 -14.786 -7.310 1.00 0.00 N ATOM 1426 CA VAL A 88 110.894 -16.008 -7.362 1.00 0.00 C ATOM 1427 C VAL A 88 111.339 -16.414 -5.955 1.00 0.00 C ATOM 1428 O VAL A 88 111.299 -17.588 -5.600 1.00 0.00 O ATOM 1429 CB VAL A 88 112.106 -15.893 -8.318 1.00 0.00 C ATOM 1430 CG1 VAL A 88 112.866 -17.205 -8.370 1.00 0.00 C ATOM 1431 CG2 VAL A 88 111.641 -15.506 -9.714 1.00 0.00 C ATOM 0 H VAL A 88 110.496 -14.009 -7.848 1.00 0.00 H new ATOM 0 HA VAL A 88 110.252 -16.790 -7.768 1.00 0.00 H new ATOM 0 HB VAL A 88 112.772 -15.117 -7.939 1.00 0.00 H new ATOM 0 HG11 VAL A 88 113.715 -17.107 -9.047 1.00 0.00 H new ATOM 0 HG12 VAL A 88 113.224 -17.458 -7.372 1.00 0.00 H new ATOM 0 HG13 VAL A 88 112.205 -17.994 -8.729 1.00 0.00 H new ATOM 0 HG21 VAL A 88 112.503 -15.429 -10.376 1.00 0.00 H new ATOM 0 HG22 VAL A 88 110.959 -16.266 -10.094 1.00 0.00 H new ATOM 0 HG23 VAL A 88 111.127 -14.545 -9.673 1.00 0.00 H new ATOM 1441 N ILE A 89 111.667 -15.427 -5.139 1.00 0.00 N ATOM 1442 CA ILE A 89 112.044 -15.666 -3.760 1.00 0.00 C ATOM 1443 C ILE A 89 110.868 -16.298 -2.995 1.00 0.00 C ATOM 1444 O ILE A 89 111.040 -17.302 -2.321 1.00 0.00 O ATOM 1445 CB ILE A 89 112.474 -14.364 -3.052 1.00 0.00 C ATOM 1446 CG1 ILE A 89 113.586 -13.680 -3.845 1.00 0.00 C ATOM 1447 CG2 ILE A 89 112.937 -14.652 -1.617 1.00 0.00 C ATOM 1448 CD1 ILE A 89 113.998 -12.348 -3.284 1.00 0.00 C ATOM 0 H ILE A 89 111.679 -14.445 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 89 112.894 -16.348 -3.765 1.00 0.00 H new ATOM 0 HB ILE A 89 111.614 -13.696 -3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 89 114.456 -14.336 -3.874 1.00 0.00 H new ATOM 0 HG13 ILE A 89 113.255 -13.544 -4.874 1.00 0.00 H new ATOM 0 HG21 ILE A 89 113.235 -13.720 -1.137 1.00 0.00 H new ATOM 0 HG22 ILE A 89 112.120 -15.104 -1.055 1.00 0.00 H new ATOM 0 HG23 ILE A 89 113.785 -15.337 -1.639 1.00 0.00 H new ATOM 0 HD11 ILE A 89 114.791 -11.923 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 89 113.141 -11.674 -3.280 1.00 0.00 H new ATOM 0 HD13 ILE A 89 114.361 -12.479 -2.265 1.00 0.00 H new ATOM 1460 N THR A 90 109.658 -15.742 -3.173 1.00 0.00 N ATOM 1461 CA THR A 90 108.466 -16.251 -2.489 1.00 0.00 C ATOM 1462 C THR A 90 108.152 -17.705 -2.897 1.00 0.00 C ATOM 1463 O THR A 90 107.504 -18.438 -2.156 1.00 0.00 O ATOM 1464 CB THR A 90 107.185 -15.347 -2.698 1.00 0.00 C ATOM 1465 OG1 THR A 90 106.764 -15.315 -4.070 1.00 0.00 O ATOM 1466 CG2 THR A 90 107.426 -13.918 -2.253 1.00 0.00 C ATOM 0 H THR A 90 109.484 -14.943 -3.783 1.00 0.00 H new ATOM 0 HA THR A 90 108.712 -16.222 -1.428 1.00 0.00 H new ATOM 0 HB THR A 90 106.405 -15.801 -2.086 1.00 0.00 H new ATOM 0 HG1 THR A 90 107.549 -15.230 -4.651 1.00 0.00 H new ATOM 0 HG21 THR A 90 106.522 -13.330 -2.413 1.00 0.00 H new ATOM 0 HG22 THR A 90 107.684 -13.905 -1.194 1.00 0.00 H new ATOM 0 HG23 THR A 90 108.245 -13.490 -2.831 1.00 0.00 H new ATOM 1474 N ASN A 91 108.644 -18.119 -4.063 1.00 0.00 N ATOM 1475 CA ASN A 91 108.400 -19.477 -4.570 1.00 0.00 C ATOM 1476 C ASN A 91 109.573 -20.400 -4.309 1.00 0.00 C ATOM 1477 O ASN A 91 109.447 -21.612 -4.419 1.00 0.00 O ATOM 1478 CB ASN A 91 108.113 -19.474 -6.080 1.00 0.00 C ATOM 1479 CG ASN A 91 106.807 -18.817 -6.457 1.00 0.00 C ATOM 1480 OD1 ASN A 91 105.772 -19.463 -6.528 1.00 0.00 O ATOM 1481 ND2 ASN A 91 106.849 -17.549 -6.716 1.00 0.00 N ATOM 0 H ASN A 91 109.214 -17.538 -4.677 1.00 0.00 H new ATOM 0 HA ASN A 91 107.527 -19.844 -4.031 1.00 0.00 H new ATOM 0 HB2 ASN A 91 108.927 -18.961 -6.593 1.00 0.00 H new ATOM 0 HB3 ASN A 91 108.107 -20.503 -6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 91 105.999 -17.056 -6.990 1.00 0.00 H new ATOM 0 HD22 ASN A 91 107.732 -17.043 -6.646 1.00 0.00 H new ATOM 1488 N SER A 92 110.701 -19.847 -3.966 1.00 0.00 N ATOM 1489 CA SER A 92 111.892 -20.641 -3.821 1.00 0.00 C ATOM 1490 C SER A 92 112.451 -20.543 -2.398 1.00 0.00 C ATOM 1491 O SER A 92 113.527 -21.053 -2.096 1.00 0.00 O ATOM 1492 CB SER A 92 112.927 -20.185 -4.869 1.00 0.00 C ATOM 1493 OG SER A 92 114.058 -21.040 -4.914 1.00 0.00 O ATOM 0 H SER A 92 110.823 -18.851 -3.781 1.00 0.00 H new ATOM 0 HA SER A 92 111.652 -21.690 -3.992 1.00 0.00 H new ATOM 0 HB2 SER A 92 112.457 -20.155 -5.852 1.00 0.00 H new ATOM 0 HB3 SER A 92 113.250 -19.170 -4.640 1.00 0.00 H new ATOM 0 HG SER A 92 114.268 -21.353 -4.009 1.00 0.00 H new ATOM 1499 N ILE A 93 111.705 -19.924 -1.518 1.00 0.00 N ATOM 1500 CA ILE A 93 112.159 -19.749 -0.158 1.00 0.00 C ATOM 1501 C ILE A 93 111.846 -21.020 0.657 1.00 0.00 C ATOM 1502 O ILE A 93 112.407 -21.251 1.725 1.00 0.00 O ATOM 1503 CB ILE A 93 111.513 -18.491 0.492 1.00 0.00 C ATOM 1504 CG1 ILE A 93 112.344 -18.009 1.669 1.00 0.00 C ATOM 1505 CG2 ILE A 93 110.078 -18.753 0.915 1.00 0.00 C ATOM 1506 CD1 ILE A 93 113.691 -17.460 1.247 1.00 0.00 C ATOM 0 H ILE A 93 110.784 -19.533 -1.716 1.00 0.00 H new ATOM 0 HA ILE A 93 113.237 -19.590 -0.163 1.00 0.00 H new ATOM 0 HB ILE A 93 111.493 -17.704 -0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 93 111.793 -17.236 2.205 1.00 0.00 H new ATOM 0 HG13 ILE A 93 112.494 -18.834 2.365 1.00 0.00 H new ATOM 0 HG21 ILE A 93 109.661 -17.852 1.364 1.00 0.00 H new ATOM 0 HG22 ILE A 93 109.486 -19.031 0.043 1.00 0.00 H new ATOM 0 HG23 ILE A 93 110.055 -19.565 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 93 114.242 -17.130 2.128 1.00 0.00 H new ATOM 0 HD12 ILE A 93 114.257 -18.238 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 93 113.545 -16.615 0.574 1.00 0.00 H new ATOM 1518 N THR A 94 110.911 -21.809 0.136 1.00 0.00 N ATOM 1519 CA THR A 94 110.557 -23.105 0.699 1.00 0.00 C ATOM 1520 C THR A 94 111.781 -24.053 0.719 1.00 0.00 C ATOM 1521 O THR A 94 112.002 -24.784 1.690 1.00 0.00 O ATOM 1522 CB THR A 94 109.348 -23.747 -0.065 1.00 0.00 C ATOM 1523 OG1 THR A 94 109.034 -25.055 0.445 1.00 0.00 O ATOM 1524 CG2 THR A 94 109.601 -23.826 -1.567 1.00 0.00 C ATOM 0 H THR A 94 110.374 -21.563 -0.696 1.00 0.00 H new ATOM 0 HA THR A 94 110.243 -22.947 1.731 1.00 0.00 H new ATOM 0 HB THR A 94 108.494 -23.092 0.105 1.00 0.00 H new ATOM 0 HG1 THR A 94 108.275 -25.426 -0.052 1.00 0.00 H new ATOM 0 HG21 THR A 94 108.739 -24.277 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 94 109.760 -22.823 -1.962 1.00 0.00 H new ATOM 0 HG23 THR A 94 110.485 -24.435 -1.755 1.00 0.00 H new ATOM 1532 N GLN A 95 112.581 -24.007 -0.336 1.00 0.00 N ATOM 1533 CA GLN A 95 113.809 -24.773 -0.425 1.00 0.00 C ATOM 1534 C GLN A 95 114.885 -23.869 -0.993 1.00 0.00 C ATOM 1535 O GLN A 95 115.181 -23.903 -2.207 1.00 0.00 O ATOM 1536 CB GLN A 95 113.667 -26.052 -1.274 1.00 0.00 C ATOM 1537 CG GLN A 95 112.723 -27.089 -0.699 1.00 0.00 C ATOM 1538 CD GLN A 95 112.738 -28.386 -1.476 1.00 0.00 C ATOM 1539 OE1 GLN A 95 113.518 -29.296 -1.174 1.00 0.00 O ATOM 1540 NE2 GLN A 95 111.902 -28.486 -2.480 1.00 0.00 N ATOM 0 H GLN A 95 112.393 -23.433 -1.158 1.00 0.00 H new ATOM 0 HA GLN A 95 114.074 -25.115 0.576 1.00 0.00 H new ATOM 0 HB2 GLN A 95 113.319 -25.775 -2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 95 114.652 -26.503 -1.395 1.00 0.00 H new ATOM 0 HG2 GLN A 95 112.996 -27.288 0.337 1.00 0.00 H new ATOM 0 HG3 GLN A 95 111.710 -26.687 -0.690 1.00 0.00 H new ATOM 0 HE21 GLN A 95 111.273 -27.713 -2.699 1.00 0.00 H new ATOM 0 HE22 GLN A 95 111.880 -29.336 -3.043 1.00 0.00 H new ATOM 1549 N PRO A 96 115.430 -22.999 -0.149 1.00 0.00 N ATOM 1550 CA PRO A 96 116.390 -21.984 -0.559 1.00 0.00 C ATOM 1551 C PRO A 96 117.762 -22.538 -0.923 1.00 0.00 C ATOM 1552 O PRO A 96 118.139 -23.660 -0.539 1.00 0.00 O ATOM 1553 CB PRO A 96 116.493 -21.088 0.666 1.00 0.00 C ATOM 1554 CG PRO A 96 116.183 -21.986 1.807 1.00 0.00 C ATOM 1555 CD PRO A 96 115.147 -22.928 1.299 1.00 0.00 C ATOM 0 HA PRO A 96 116.059 -21.479 -1.467 1.00 0.00 H new ATOM 0 HB2 PRO A 96 117.489 -20.656 0.760 1.00 0.00 H new ATOM 0 HB3 PRO A 96 115.789 -20.257 0.611 1.00 0.00 H new ATOM 0 HG2 PRO A 96 117.073 -22.522 2.138 1.00 0.00 H new ATOM 0 HG3 PRO A 96 115.814 -21.421 2.663 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.227 -23.907 1.773 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.139 -22.561 1.494 1.00 0.00 H new ATOM 1563 N THR A 97 118.490 -21.742 -1.636 1.00 0.00 N ATOM 1564 CA THR A 97 119.807 -22.042 -2.085 1.00 0.00 C ATOM 1565 C THR A 97 120.728 -20.922 -1.669 1.00 0.00 C ATOM 1566 O THR A 97 120.257 -19.886 -1.186 1.00 0.00 O ATOM 1567 CB THR A 97 119.825 -22.272 -3.617 1.00 0.00 C ATOM 1568 OG1 THR A 97 118.996 -21.288 -4.274 1.00 0.00 O ATOM 1569 CG2 THR A 97 119.328 -23.660 -3.967 1.00 0.00 C ATOM 0 H THR A 97 118.166 -20.822 -1.934 1.00 0.00 H new ATOM 0 HA THR A 97 120.156 -22.968 -1.628 1.00 0.00 H new ATOM 0 HB THR A 97 120.855 -22.174 -3.959 1.00 0.00 H new ATOM 0 HG1 THR A 97 119.014 -21.439 -5.242 1.00 0.00 H new ATOM 0 HG21 THR A 97 119.352 -23.793 -5.049 1.00 0.00 H new ATOM 0 HG22 THR A 97 119.969 -24.405 -3.496 1.00 0.00 H new ATOM 0 HG23 THR A 97 118.306 -23.781 -3.609 1.00 0.00 H new ATOM 1577 N LEU A 98 122.012 -21.122 -1.877 1.00 0.00 N ATOM 1578 CA LEU A 98 123.067 -20.242 -1.398 1.00 0.00 C ATOM 1579 C LEU A 98 122.903 -18.779 -1.833 1.00 0.00 C ATOM 1580 O LEU A 98 123.426 -17.876 -1.188 1.00 0.00 O ATOM 1581 CB LEU A 98 124.417 -20.778 -1.845 1.00 0.00 C ATOM 1582 CG LEU A 98 125.581 -20.423 -0.957 1.00 0.00 C ATOM 1583 CD1 LEU A 98 125.318 -20.992 0.423 1.00 0.00 C ATOM 1584 CD2 LEU A 98 126.863 -20.987 -1.530 1.00 0.00 C ATOM 0 H LEU A 98 122.365 -21.924 -2.399 1.00 0.00 H new ATOM 0 HA LEU A 98 122.999 -20.237 -0.310 1.00 0.00 H new ATOM 0 HB2 LEU A 98 124.353 -21.864 -1.914 1.00 0.00 H new ATOM 0 HB3 LEU A 98 124.622 -20.407 -2.849 1.00 0.00 H new ATOM 0 HG LEU A 98 125.690 -19.340 -0.894 1.00 0.00 H new ATOM 0 HD11 LEU A 98 126.150 -20.746 1.083 1.00 0.00 H new ATOM 0 HD12 LEU A 98 124.399 -20.565 0.824 1.00 0.00 H new ATOM 0 HD13 LEU A 98 125.216 -22.075 0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 98 127.698 -20.725 -0.881 1.00 0.00 H new ATOM 0 HD22 LEU A 98 126.784 -22.072 -1.599 1.00 0.00 H new ATOM 0 HD23 LEU A 98 127.031 -20.571 -2.523 1.00 0.00 H new ATOM 1596 N HIS A 99 122.201 -18.535 -2.909 1.00 0.00 N ATOM 1597 CA HIS A 99 121.956 -17.188 -3.323 1.00 0.00 C ATOM 1598 C HIS A 99 120.522 -16.991 -3.766 1.00 0.00 C ATOM 1599 O HIS A 99 120.263 -16.475 -4.839 1.00 0.00 O ATOM 1600 CB HIS A 99 122.959 -16.717 -4.389 1.00 0.00 C ATOM 1601 CG HIS A 99 123.783 -15.555 -3.919 1.00 0.00 C ATOM 1602 ND1 HIS A 99 124.225 -14.537 -4.736 1.00 0.00 N ATOM 1603 CD2 HIS A 99 124.242 -15.254 -2.686 1.00 0.00 C ATOM 1604 CE1 HIS A 99 124.908 -13.671 -4.018 1.00 0.00 C ATOM 1605 NE2 HIS A 99 124.929 -14.083 -2.780 1.00 0.00 N ATOM 0 H HIS A 99 121.793 -19.252 -3.509 1.00 0.00 H new ATOM 0 HA HIS A 99 122.111 -16.554 -2.450 1.00 0.00 H new ATOM 0 HB2 HIS A 99 123.618 -17.543 -4.655 1.00 0.00 H new ATOM 0 HB3 HIS A 99 122.420 -16.435 -5.293 1.00 0.00 H new ATOM 0 HD1 HIS A 99 124.050 -14.466 -5.738 1.00 0.00 H new ATOM 0 HD2 HIS A 99 124.092 -15.836 -1.789 1.00 0.00 H new ATOM 0 HE1 HIS A 99 125.373 -12.770 -4.391 1.00 0.00 H new ATOM 1614 N SER A 100 119.579 -17.384 -2.917 1.00 0.00 N ATOM 1615 CA SER A 100 118.152 -17.151 -3.178 1.00 0.00 C ATOM 1616 C SER A 100 117.805 -15.641 -3.238 1.00 0.00 C ATOM 1617 O SER A 100 116.712 -15.251 -3.654 1.00 0.00 O ATOM 1618 CB SER A 100 117.275 -17.902 -2.149 1.00 0.00 C ATOM 1619 OG SER A 100 117.411 -19.300 -2.340 1.00 0.00 O ATOM 0 H SER A 100 119.771 -17.867 -2.039 1.00 0.00 H new ATOM 0 HA SER A 100 117.931 -17.556 -4.166 1.00 0.00 H new ATOM 0 HB2 SER A 100 117.573 -17.632 -1.136 1.00 0.00 H new ATOM 0 HB3 SER A 100 116.231 -17.609 -2.263 1.00 0.00 H new ATOM 0 HG SER A 100 116.576 -19.663 -2.703 1.00 0.00 H new ATOM 1625 N PHE A 101 118.752 -14.810 -2.852 1.00 0.00 N ATOM 1626 CA PHE A 101 118.576 -13.379 -2.880 1.00 0.00 C ATOM 1627 C PHE A 101 119.584 -12.768 -3.863 1.00 0.00 C ATOM 1628 O PHE A 101 119.903 -11.595 -3.780 1.00 0.00 O ATOM 1629 CB PHE A 101 118.806 -12.798 -1.483 1.00 0.00 C ATOM 1630 CG PHE A 101 118.016 -13.464 -0.383 1.00 0.00 C ATOM 1631 CD1 PHE A 101 116.664 -13.205 -0.212 1.00 0.00 C ATOM 1632 CD2 PHE A 101 118.639 -14.341 0.493 1.00 0.00 C ATOM 1633 CE1 PHE A 101 115.956 -13.814 0.808 1.00 0.00 C ATOM 1634 CE2 PHE A 101 117.935 -14.948 1.508 1.00 0.00 C ATOM 1635 CZ PHE A 101 116.593 -14.683 1.664 1.00 0.00 C ATOM 0 H PHE A 101 119.665 -15.112 -2.510 1.00 0.00 H new ATOM 0 HA PHE A 101 117.560 -13.144 -3.199 1.00 0.00 H new ATOM 0 HB2 PHE A 101 119.867 -12.871 -1.245 1.00 0.00 H new ATOM 0 HB3 PHE A 101 118.555 -11.737 -1.500 1.00 0.00 H new ATOM 0 HD1 PHE A 101 116.160 -12.523 -0.881 1.00 0.00 H new ATOM 0 HD2 PHE A 101 119.692 -14.551 0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 101 114.903 -13.608 0.933 1.00 0.00 H new ATOM 0 HE2 PHE A 101 118.434 -15.630 2.180 1.00 0.00 H new ATOM 0 HZ PHE A 101 116.039 -15.158 2.460 1.00 0.00 H new ATOM 1645 N ASP A 102 120.052 -13.577 -4.813 1.00 0.00 N ATOM 1646 CA ASP A 102 121.068 -13.141 -5.794 1.00 0.00 C ATOM 1647 C ASP A 102 120.555 -12.019 -6.664 1.00 0.00 C ATOM 1648 O ASP A 102 121.216 -10.986 -6.819 1.00 0.00 O ATOM 1649 CB ASP A 102 121.491 -14.300 -6.691 1.00 0.00 C ATOM 1650 CG ASP A 102 122.575 -13.920 -7.672 1.00 0.00 C ATOM 1651 OD1 ASP A 102 123.763 -14.071 -7.324 1.00 0.00 O ATOM 1652 OD2 ASP A 102 122.256 -13.488 -8.809 1.00 0.00 O ATOM 0 H ASP A 102 119.748 -14.543 -4.931 1.00 0.00 H new ATOM 0 HA ASP A 102 121.925 -12.785 -5.222 1.00 0.00 H new ATOM 0 HB2 ASP A 102 121.843 -15.124 -6.070 1.00 0.00 H new ATOM 0 HB3 ASP A 102 120.622 -14.663 -7.240 1.00 0.00 H new ATOM 1657 N ALA A 103 119.371 -12.212 -7.209 1.00 0.00 N ATOM 1658 CA ALA A 103 118.765 -11.226 -8.082 1.00 0.00 C ATOM 1659 C ALA A 103 118.375 -10.014 -7.274 1.00 0.00 C ATOM 1660 O ALA A 103 118.526 -8.870 -7.712 1.00 0.00 O ATOM 1661 CB ALA A 103 117.549 -11.810 -8.785 1.00 0.00 C ATOM 0 H ALA A 103 118.806 -13.048 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 103 119.487 -10.932 -8.844 1.00 0.00 H new ATOM 0 HB1 ALA A 103 117.108 -11.055 -9.436 1.00 0.00 H new ATOM 0 HB2 ALA A 103 117.852 -12.671 -9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 103 116.815 -12.123 -8.043 1.00 0.00 H new ATOM 1667 N ALA A 104 117.917 -10.273 -6.070 1.00 0.00 N ATOM 1668 CA ALA A 104 117.486 -9.240 -5.171 1.00 0.00 C ATOM 1669 C ALA A 104 118.643 -8.344 -4.730 1.00 0.00 C ATOM 1670 O ALA A 104 118.467 -7.136 -4.561 1.00 0.00 O ATOM 1671 CB ALA A 104 116.738 -9.849 -4.012 1.00 0.00 C ATOM 0 H ALA A 104 117.835 -11.216 -5.689 1.00 0.00 H new ATOM 0 HA ALA A 104 116.797 -8.581 -5.700 1.00 0.00 H new ATOM 0 HB1 ALA A 104 116.414 -9.060 -3.333 1.00 0.00 H new ATOM 0 HB2 ALA A 104 115.867 -10.388 -4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 104 117.392 -10.539 -3.479 1.00 0.00 H new ATOM 1677 N GLN A 105 119.817 -8.930 -4.595 1.00 0.00 N ATOM 1678 CA GLN A 105 121.036 -8.202 -4.270 1.00 0.00 C ATOM 1679 C GLN A 105 121.311 -7.151 -5.349 1.00 0.00 C ATOM 1680 O GLN A 105 121.585 -5.980 -5.049 1.00 0.00 O ATOM 1681 CB GLN A 105 122.206 -9.186 -4.187 1.00 0.00 C ATOM 1682 CG GLN A 105 123.560 -8.560 -3.888 1.00 0.00 C ATOM 1683 CD GLN A 105 124.665 -9.590 -3.867 1.00 0.00 C ATOM 1684 OE1 GLN A 105 124.594 -10.600 -4.570 1.00 0.00 O ATOM 1685 NE2 GLN A 105 125.676 -9.358 -3.065 1.00 0.00 N ATOM 0 H GLN A 105 119.956 -9.934 -4.708 1.00 0.00 H new ATOM 0 HA GLN A 105 120.918 -7.700 -3.309 1.00 0.00 H new ATOM 0 HB2 GLN A 105 121.986 -9.923 -3.414 1.00 0.00 H new ATOM 0 HB3 GLN A 105 122.274 -9.725 -5.132 1.00 0.00 H new ATOM 0 HG2 GLN A 105 123.784 -7.803 -4.640 1.00 0.00 H new ATOM 0 HG3 GLN A 105 123.520 -8.051 -2.925 1.00 0.00 H new ATOM 0 HE21 GLN A 105 125.695 -8.509 -2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 105 126.444 -10.027 -3.006 1.00 0.00 H new ATOM 1694 N SER A 106 121.180 -7.572 -6.595 1.00 0.00 N ATOM 1695 CA SER A 106 121.396 -6.715 -7.738 1.00 0.00 C ATOM 1696 C SER A 106 120.347 -5.580 -7.763 1.00 0.00 C ATOM 1697 O SER A 106 120.667 -4.415 -8.053 1.00 0.00 O ATOM 1698 CB SER A 106 121.309 -7.568 -9.002 1.00 0.00 C ATOM 1699 OG SER A 106 122.173 -8.711 -8.901 1.00 0.00 O ATOM 0 H SER A 106 120.918 -8.527 -6.839 1.00 0.00 H new ATOM 0 HA SER A 106 122.380 -6.251 -7.679 1.00 0.00 H new ATOM 0 HB2 SER A 106 120.281 -7.895 -9.156 1.00 0.00 H new ATOM 0 HB3 SER A 106 121.587 -6.971 -9.870 1.00 0.00 H new ATOM 0 HG SER A 106 122.103 -9.247 -9.718 1.00 0.00 H new ATOM 1705 N ARG A 107 119.116 -5.927 -7.395 1.00 0.00 N ATOM 1706 CA ARG A 107 118.015 -4.977 -7.350 1.00 0.00 C ATOM 1707 C ARG A 107 118.267 -3.889 -6.329 1.00 0.00 C ATOM 1708 O ARG A 107 118.098 -2.710 -6.613 1.00 0.00 O ATOM 1709 CB ARG A 107 116.703 -5.678 -7.034 1.00 0.00 C ATOM 1710 CG ARG A 107 116.268 -6.707 -8.056 1.00 0.00 C ATOM 1711 CD ARG A 107 116.157 -6.104 -9.435 1.00 0.00 C ATOM 1712 NE ARG A 107 115.647 -7.066 -10.413 1.00 0.00 N ATOM 1713 CZ ARG A 107 115.830 -6.965 -11.737 1.00 0.00 C ATOM 1714 NH1 ARG A 107 116.697 -6.089 -12.227 1.00 0.00 N ATOM 1715 NH2 ARG A 107 115.187 -7.772 -12.563 1.00 0.00 N ATOM 0 H ARG A 107 118.857 -6.875 -7.120 1.00 0.00 H new ATOM 0 HA ARG A 107 117.945 -4.519 -8.337 1.00 0.00 H new ATOM 0 HB2 ARG A 107 116.793 -6.166 -6.064 1.00 0.00 H new ATOM 0 HB3 ARG A 107 115.919 -4.926 -6.941 1.00 0.00 H new ATOM 0 HG2 ARG A 107 116.984 -7.529 -8.074 1.00 0.00 H new ATOM 0 HG3 ARG A 107 115.306 -7.128 -7.763 1.00 0.00 H new ATOM 0 HD2 ARG A 107 115.497 -5.238 -9.400 1.00 0.00 H new ATOM 0 HD3 ARG A 107 117.136 -5.746 -9.754 1.00 0.00 H new ATOM 0 HE ARG A 107 115.118 -7.865 -10.064 1.00 0.00 H new ATOM 0 HH11 ARG A 107 117.228 -5.489 -11.596 1.00 0.00 H new ATOM 0 HH12 ARG A 107 116.833 -6.016 -13.235 1.00 0.00 H new ATOM 0 HH21 ARG A 107 114.548 -8.476 -12.194 1.00 0.00 H new ATOM 0 HH22 ARG A 107 115.330 -7.691 -13.570 1.00 0.00 H new ATOM 1729 N VAL A 108 118.698 -4.281 -5.162 1.00 0.00 N ATOM 1730 CA VAL A 108 118.939 -3.335 -4.095 1.00 0.00 C ATOM 1731 C VAL A 108 120.180 -2.483 -4.369 1.00 0.00 C ATOM 1732 O VAL A 108 120.231 -1.297 -4.009 1.00 0.00 O ATOM 1733 CB VAL A 108 119.009 -4.037 -2.729 1.00 0.00 C ATOM 1734 CG1 VAL A 108 119.272 -3.044 -1.627 1.00 0.00 C ATOM 1735 CG2 VAL A 108 117.700 -4.750 -2.468 1.00 0.00 C ATOM 0 H VAL A 108 118.892 -5.253 -4.920 1.00 0.00 H new ATOM 0 HA VAL A 108 118.089 -2.653 -4.060 1.00 0.00 H new ATOM 0 HB VAL A 108 119.829 -4.755 -2.746 1.00 0.00 H new ATOM 0 HG11 VAL A 108 119.317 -3.565 -0.671 1.00 0.00 H new ATOM 0 HG12 VAL A 108 120.221 -2.540 -1.810 1.00 0.00 H new ATOM 0 HG13 VAL A 108 118.469 -2.308 -1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 108 117.744 -5.250 -1.500 1.00 0.00 H new ATOM 0 HG22 VAL A 108 116.885 -4.026 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 108 117.526 -5.489 -3.250 1.00 0.00 H new ATOM 1745 N TYR A 109 121.167 -3.076 -5.023 1.00 0.00 N ATOM 1746 CA TYR A 109 122.345 -2.341 -5.451 1.00 0.00 C ATOM 1747 C TYR A 109 121.941 -1.156 -6.342 1.00 0.00 C ATOM 1748 O TYR A 109 122.338 -0.023 -6.081 1.00 0.00 O ATOM 1749 CB TYR A 109 123.361 -3.285 -6.162 1.00 0.00 C ATOM 1750 CG TYR A 109 124.439 -2.580 -7.011 1.00 0.00 C ATOM 1751 CD1 TYR A 109 124.158 -2.150 -8.306 1.00 0.00 C ATOM 1752 CD2 TYR A 109 125.713 -2.332 -6.515 1.00 0.00 C ATOM 1753 CE1 TYR A 109 125.096 -1.499 -9.070 1.00 0.00 C ATOM 1754 CE2 TYR A 109 126.665 -1.668 -7.283 1.00 0.00 C ATOM 1755 CZ TYR A 109 126.341 -1.256 -8.564 1.00 0.00 C ATOM 1756 OH TYR A 109 127.262 -0.569 -9.337 1.00 0.00 O ATOM 0 H TYR A 109 121.175 -4.066 -5.269 1.00 0.00 H new ATOM 0 HA TYR A 109 122.846 -1.937 -4.571 1.00 0.00 H new ATOM 0 HB2 TYR A 109 123.858 -3.891 -5.405 1.00 0.00 H new ATOM 0 HB3 TYR A 109 122.807 -3.969 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR A 109 123.177 -2.333 -8.720 1.00 0.00 H new ATOM 0 HD2 TYR A 109 125.968 -2.660 -5.518 1.00 0.00 H new ATOM 0 HE1 TYR A 109 124.849 -1.179 -10.071 1.00 0.00 H new ATOM 0 HE2 TYR A 109 127.649 -1.476 -6.882 1.00 0.00 H new ATOM 0 HH TYR A 109 126.885 0.295 -9.605 1.00 0.00 H new ATOM 1766 N GLN A 110 121.112 -1.416 -7.360 1.00 0.00 N ATOM 1767 CA GLN A 110 120.702 -0.357 -8.285 1.00 0.00 C ATOM 1768 C GLN A 110 119.820 0.681 -7.583 1.00 0.00 C ATOM 1769 O GLN A 110 119.915 1.882 -7.867 1.00 0.00 O ATOM 1770 CB GLN A 110 120.075 -0.940 -9.583 1.00 0.00 C ATOM 1771 CG GLN A 110 118.765 -1.706 -9.421 1.00 0.00 C ATOM 1772 CD GLN A 110 117.533 -0.817 -9.427 1.00 0.00 C ATOM 1773 OE1 GLN A 110 117.507 0.216 -10.077 1.00 0.00 O ATOM 1774 NE2 GLN A 110 116.528 -1.194 -8.693 1.00 0.00 N ATOM 0 H GLN A 110 120.718 -2.335 -7.561 1.00 0.00 H new ATOM 0 HA GLN A 110 121.593 0.179 -8.610 1.00 0.00 H new ATOM 0 HB2 GLN A 110 119.906 -0.119 -10.279 1.00 0.00 H new ATOM 0 HB3 GLN A 110 120.804 -1.605 -10.045 1.00 0.00 H new ATOM 0 HG2 GLN A 110 118.679 -2.436 -10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 110 118.794 -2.265 -8.486 1.00 0.00 H new ATOM 0 HE21 GLN A 110 116.582 -2.063 -8.162 1.00 0.00 H new ATOM 0 HE22 GLN A 110 115.686 -0.621 -8.648 1.00 0.00 H new ATOM 1783 N LEU A 111 118.995 0.204 -6.632 1.00 0.00 N ATOM 1784 CA LEU A 111 118.170 1.080 -5.788 1.00 0.00 C ATOM 1785 C LEU A 111 119.042 2.109 -5.088 1.00 0.00 C ATOM 1786 O LEU A 111 118.791 3.310 -5.158 1.00 0.00 O ATOM 1787 CB LEU A 111 117.420 0.281 -4.702 1.00 0.00 C ATOM 1788 CG LEU A 111 116.331 -0.691 -5.147 1.00 0.00 C ATOM 1789 CD1 LEU A 111 115.809 -1.460 -3.940 1.00 0.00 C ATOM 1790 CD2 LEU A 111 115.191 0.059 -5.822 1.00 0.00 C ATOM 0 H LEU A 111 118.884 -0.790 -6.431 1.00 0.00 H new ATOM 0 HA LEU A 111 117.448 1.566 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 111 118.159 -0.284 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 111 116.968 0.996 -4.015 1.00 0.00 H new ATOM 0 HG LEU A 111 116.755 -1.392 -5.866 1.00 0.00 H new ATOM 0 HD11 LEU A 111 115.031 -2.154 -4.259 1.00 0.00 H new ATOM 0 HD12 LEU A 111 116.626 -2.017 -3.482 1.00 0.00 H new ATOM 0 HD13 LEU A 111 115.395 -0.760 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 111 114.423 -0.649 -6.133 1.00 0.00 H new ATOM 0 HD22 LEU A 111 114.762 0.775 -5.122 1.00 0.00 H new ATOM 0 HD23 LEU A 111 115.571 0.589 -6.695 1.00 0.00 H new ATOM 1802 N MET A 112 120.081 1.631 -4.435 1.00 0.00 N ATOM 1803 CA MET A 112 120.970 2.496 -3.682 1.00 0.00 C ATOM 1804 C MET A 112 121.848 3.336 -4.577 1.00 0.00 C ATOM 1805 O MET A 112 122.173 4.456 -4.231 1.00 0.00 O ATOM 1806 CB MET A 112 121.838 1.705 -2.719 1.00 0.00 C ATOM 1807 CG MET A 112 121.080 1.026 -1.601 1.00 0.00 C ATOM 1808 SD MET A 112 122.166 0.097 -0.511 1.00 0.00 S ATOM 1809 CE MET A 112 122.833 -1.096 -1.661 1.00 0.00 C ATOM 0 H MET A 112 120.333 0.643 -4.410 1.00 0.00 H new ATOM 0 HA MET A 112 120.325 3.165 -3.112 1.00 0.00 H new ATOM 0 HB2 MET A 112 122.385 0.948 -3.281 1.00 0.00 H new ATOM 0 HB3 MET A 112 122.579 2.376 -2.283 1.00 0.00 H new ATOM 0 HG2 MET A 112 120.541 1.776 -1.022 1.00 0.00 H new ATOM 0 HG3 MET A 112 120.334 0.355 -2.026 1.00 0.00 H new ATOM 0 HE1 MET A 112 122.853 -2.080 -1.193 1.00 0.00 H new ATOM 0 HE2 MET A 112 122.207 -1.131 -2.553 1.00 0.00 H new ATOM 0 HE3 MET A 112 123.846 -0.806 -1.940 1.00 0.00 H new ATOM 1819 N GLU A 113 122.219 2.802 -5.723 1.00 0.00 N ATOM 1820 CA GLU A 113 123.108 3.492 -6.644 1.00 0.00 C ATOM 1821 C GLU A 113 122.506 4.821 -7.130 1.00 0.00 C ATOM 1822 O GLU A 113 122.926 5.894 -6.704 1.00 0.00 O ATOM 1823 CB GLU A 113 123.468 2.585 -7.828 1.00 0.00 C ATOM 1824 CG GLU A 113 124.493 3.181 -8.782 1.00 0.00 C ATOM 1825 CD GLU A 113 124.839 2.256 -9.919 1.00 0.00 C ATOM 1826 OE1 GLU A 113 123.995 2.055 -10.809 1.00 0.00 O ATOM 1827 OE2 GLU A 113 125.976 1.745 -9.980 1.00 0.00 O ATOM 0 H GLU A 113 121.916 1.882 -6.044 1.00 0.00 H new ATOM 0 HA GLU A 113 124.023 3.732 -6.103 1.00 0.00 H new ATOM 0 HB2 GLU A 113 123.852 1.640 -7.444 1.00 0.00 H new ATOM 0 HB3 GLU A 113 122.560 2.356 -8.385 1.00 0.00 H new ATOM 0 HG2 GLU A 113 124.106 4.117 -9.186 1.00 0.00 H new ATOM 0 HG3 GLU A 113 125.400 3.424 -8.228 1.00 0.00 H new ATOM 1834 N GLN A 114 121.472 4.740 -7.932 1.00 0.00 N ATOM 1835 CA GLN A 114 120.880 5.933 -8.551 1.00 0.00 C ATOM 1836 C GLN A 114 120.272 6.904 -7.523 1.00 0.00 C ATOM 1837 O GLN A 114 120.159 8.107 -7.782 1.00 0.00 O ATOM 1838 CB GLN A 114 119.828 5.518 -9.574 1.00 0.00 C ATOM 1839 CG GLN A 114 118.695 4.700 -8.983 1.00 0.00 C ATOM 1840 CD GLN A 114 117.711 4.247 -10.023 1.00 0.00 C ATOM 1841 OE1 GLN A 114 116.730 4.938 -10.321 1.00 0.00 O ATOM 1842 NE2 GLN A 114 117.954 3.098 -10.577 1.00 0.00 N ATOM 0 H GLN A 114 121.012 3.864 -8.181 1.00 0.00 H new ATOM 0 HA GLN A 114 121.688 6.471 -9.047 1.00 0.00 H new ATOM 0 HB2 GLN A 114 119.414 6.412 -10.040 1.00 0.00 H new ATOM 0 HB3 GLN A 114 120.309 4.940 -10.363 1.00 0.00 H new ATOM 0 HG2 GLN A 114 119.107 3.829 -8.473 1.00 0.00 H new ATOM 0 HG3 GLN A 114 118.176 5.294 -8.230 1.00 0.00 H new ATOM 0 HE21 GLN A 114 118.776 2.562 -10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 114 117.323 2.732 -11.290 1.00 0.00 H new ATOM 1851 N ASP A 115 119.917 6.385 -6.372 1.00 0.00 N ATOM 1852 CA ASP A 115 119.242 7.173 -5.352 1.00 0.00 C ATOM 1853 C ASP A 115 120.177 7.702 -4.263 1.00 0.00 C ATOM 1854 O ASP A 115 120.243 8.912 -4.026 1.00 0.00 O ATOM 1855 CB ASP A 115 118.113 6.352 -4.720 1.00 0.00 C ATOM 1856 CG ASP A 115 117.474 7.028 -3.531 1.00 0.00 C ATOM 1857 OD1 ASP A 115 116.524 7.822 -3.718 1.00 0.00 O ATOM 1858 OD2 ASP A 115 117.907 6.759 -2.388 1.00 0.00 O ATOM 0 H ASP A 115 120.083 5.413 -6.111 1.00 0.00 H new ATOM 0 HA ASP A 115 118.837 8.049 -5.859 1.00 0.00 H new ATOM 0 HB2 ASP A 115 117.349 6.159 -5.473 1.00 0.00 H new ATOM 0 HB3 ASP A 115 118.507 5.384 -4.410 1.00 0.00 H new ATOM 1863 N SER A 116 120.897 6.814 -3.619 1.00 0.00 N ATOM 1864 CA SER A 116 121.674 7.176 -2.451 1.00 0.00 C ATOM 1865 C SER A 116 123.163 7.430 -2.769 1.00 0.00 C ATOM 1866 O SER A 116 123.802 8.238 -2.106 1.00 0.00 O ATOM 1867 CB SER A 116 121.536 6.071 -1.406 1.00 0.00 C ATOM 1868 OG SER A 116 120.162 5.741 -1.185 1.00 0.00 O ATOM 0 H SER A 116 120.963 5.831 -3.883 1.00 0.00 H new ATOM 0 HA SER A 116 121.280 8.118 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 116 122.078 5.185 -1.736 1.00 0.00 H new ATOM 0 HB3 SER A 116 121.991 6.393 -0.469 1.00 0.00 H new ATOM 0 HG SER A 116 119.591 6.378 -1.663 1.00 0.00 H new ATOM 1874 N TYR A 117 123.698 6.776 -3.800 1.00 0.00 N ATOM 1875 CA TYR A 117 125.124 6.886 -4.151 1.00 0.00 C ATOM 1876 C TYR A 117 125.499 8.307 -4.544 1.00 0.00 C ATOM 1877 O TYR A 117 126.570 8.795 -4.201 1.00 0.00 O ATOM 1878 CB TYR A 117 125.435 5.877 -5.250 1.00 0.00 C ATOM 1879 CG TYR A 117 126.763 5.984 -5.954 1.00 0.00 C ATOM 1880 CD1 TYR A 117 127.953 5.677 -5.319 1.00 0.00 C ATOM 1881 CD2 TYR A 117 126.809 6.355 -7.289 1.00 0.00 C ATOM 1882 CE1 TYR A 117 129.151 5.743 -5.999 1.00 0.00 C ATOM 1883 CE2 TYR A 117 127.996 6.411 -7.972 1.00 0.00 C ATOM 1884 CZ TYR A 117 129.159 6.109 -7.326 1.00 0.00 C ATOM 1885 OH TYR A 117 130.330 6.138 -8.014 1.00 0.00 O ATOM 0 H TYR A 117 123.166 6.159 -4.414 1.00 0.00 H new ATOM 0 HA TYR A 117 125.734 6.654 -3.278 1.00 0.00 H new ATOM 0 HB2 TYR A 117 125.367 4.879 -4.816 1.00 0.00 H new ATOM 0 HB3 TYR A 117 124.651 5.952 -6.003 1.00 0.00 H new ATOM 0 HD1 TYR A 117 127.944 5.383 -4.280 1.00 0.00 H new ATOM 0 HD2 TYR A 117 125.891 6.605 -7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 117 130.077 5.509 -5.494 1.00 0.00 H new ATOM 0 HE2 TYR A 117 128.011 6.692 -9.015 1.00 0.00 H new ATOM 0 HH TYR A 117 131.066 5.889 -7.417 1.00 0.00 H new ATOM 1895 N THR A 118 124.600 8.969 -5.204 1.00 0.00 N ATOM 1896 CA THR A 118 124.794 10.340 -5.605 1.00 0.00 C ATOM 1897 C THR A 118 124.850 11.263 -4.369 1.00 0.00 C ATOM 1898 O THR A 118 125.719 12.152 -4.259 1.00 0.00 O ATOM 1899 CB THR A 118 123.653 10.739 -6.532 1.00 0.00 C ATOM 1900 OG1 THR A 118 122.421 10.295 -5.941 1.00 0.00 O ATOM 1901 CG2 THR A 118 123.817 10.090 -7.900 1.00 0.00 C ATOM 0 H THR A 118 123.702 8.576 -5.485 1.00 0.00 H new ATOM 0 HA THR A 118 125.743 10.442 -6.132 1.00 0.00 H new ATOM 0 HB THR A 118 123.654 11.821 -6.664 1.00 0.00 H new ATOM 0 HG1 THR A 118 121.672 10.543 -6.522 1.00 0.00 H new ATOM 0 HG21 THR A 118 122.991 10.389 -8.546 1.00 0.00 H new ATOM 0 HG22 THR A 118 124.759 10.411 -8.344 1.00 0.00 H new ATOM 0 HG23 THR A 118 123.818 9.006 -7.790 1.00 0.00 H new ATOM 1909 N ARG A 119 123.953 11.006 -3.413 1.00 0.00 N ATOM 1910 CA ARG A 119 123.929 11.754 -2.165 1.00 0.00 C ATOM 1911 C ARG A 119 125.180 11.436 -1.359 1.00 0.00 C ATOM 1912 O ARG A 119 125.727 12.298 -0.682 1.00 0.00 O ATOM 1913 CB ARG A 119 122.678 11.452 -1.329 1.00 0.00 C ATOM 1914 CG ARG A 119 121.350 11.800 -1.988 1.00 0.00 C ATOM 1915 CD ARG A 119 120.208 11.608 -1.001 1.00 0.00 C ATOM 1916 NE ARG A 119 118.882 11.850 -1.584 1.00 0.00 N ATOM 1917 CZ ARG A 119 117.793 12.209 -0.890 1.00 0.00 C ATOM 1918 NH1 ARG A 119 117.902 12.601 0.381 1.00 0.00 N ATOM 1919 NH2 ARG A 119 116.610 12.226 -1.486 1.00 0.00 N ATOM 0 H ARG A 119 123.236 10.284 -3.485 1.00 0.00 H new ATOM 0 HA ARG A 119 123.902 12.815 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 119 122.674 10.390 -1.083 1.00 0.00 H new ATOM 0 HB3 ARG A 119 122.751 11.997 -0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 119 121.369 12.832 -2.338 1.00 0.00 H new ATOM 0 HG3 ARG A 119 121.194 11.170 -2.863 1.00 0.00 H new ATOM 0 HD2 ARG A 119 120.244 10.591 -0.610 1.00 0.00 H new ATOM 0 HD3 ARG A 119 120.352 12.280 -0.155 1.00 0.00 H new ATOM 0 HE ARG A 119 118.782 11.736 -2.593 1.00 0.00 H new ATOM 0 HH11 ARG A 119 118.818 12.629 0.829 1.00 0.00 H new ATOM 0 HH12 ARG A 119 117.070 12.873 0.904 1.00 0.00 H new ATOM 0 HH21 ARG A 119 116.531 11.967 -2.469 1.00 0.00 H new ATOM 0 HH22 ARG A 119 115.779 12.499 -0.962 1.00 0.00 H new ATOM 1933 N PHE A 120 125.629 10.190 -1.449 1.00 0.00 N ATOM 1934 CA PHE A 120 126.860 9.759 -0.817 1.00 0.00 C ATOM 1935 C PHE A 120 128.014 10.579 -1.334 1.00 0.00 C ATOM 1936 O PHE A 120 128.788 11.091 -0.560 1.00 0.00 O ATOM 1937 CB PHE A 120 127.112 8.256 -1.036 1.00 0.00 C ATOM 1938 CG PHE A 120 128.481 7.782 -0.596 1.00 0.00 C ATOM 1939 CD1 PHE A 120 128.771 7.550 0.742 1.00 0.00 C ATOM 1940 CD2 PHE A 120 129.478 7.571 -1.535 1.00 0.00 C ATOM 1941 CE1 PHE A 120 130.033 7.121 1.124 1.00 0.00 C ATOM 1942 CE2 PHE A 120 130.729 7.145 -1.156 1.00 0.00 C ATOM 1943 CZ PHE A 120 131.006 6.921 0.173 1.00 0.00 C ATOM 0 H PHE A 120 125.146 9.453 -1.963 1.00 0.00 H new ATOM 0 HA PHE A 120 126.767 9.916 0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 120 126.354 7.690 -0.495 1.00 0.00 H new ATOM 0 HB3 PHE A 120 126.985 8.029 -2.094 1.00 0.00 H new ATOM 0 HD1 PHE A 120 128.008 7.705 1.491 1.00 0.00 H new ATOM 0 HD2 PHE A 120 129.269 7.744 -2.580 1.00 0.00 H new ATOM 0 HE1 PHE A 120 130.251 6.944 2.167 1.00 0.00 H new ATOM 0 HE2 PHE A 120 131.494 6.986 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 120 131.989 6.587 0.470 1.00 0.00 H new ATOM 1953 N LEU A 121 128.083 10.745 -2.642 1.00 0.00 N ATOM 1954 CA LEU A 121 129.141 11.538 -3.267 1.00 0.00 C ATOM 1955 C LEU A 121 129.118 12.983 -2.763 1.00 0.00 C ATOM 1956 O LEU A 121 130.146 13.636 -2.671 1.00 0.00 O ATOM 1957 CB LEU A 121 129.023 11.494 -4.795 1.00 0.00 C ATOM 1958 CG LEU A 121 129.150 10.105 -5.432 1.00 0.00 C ATOM 1959 CD1 LEU A 121 128.980 10.189 -6.938 1.00 0.00 C ATOM 1960 CD2 LEU A 121 130.487 9.471 -5.078 1.00 0.00 C ATOM 0 H LEU A 121 127.417 10.341 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 121 130.098 11.100 -2.985 1.00 0.00 H new ATOM 0 HB2 LEU A 121 128.059 11.917 -5.079 1.00 0.00 H new ATOM 0 HB3 LEU A 121 129.792 12.140 -5.219 1.00 0.00 H new ATOM 0 HG LEU A 121 128.356 9.473 -5.033 1.00 0.00 H new ATOM 0 HD11 LEU A 121 129.074 9.193 -7.371 1.00 0.00 H new ATOM 0 HD12 LEU A 121 127.996 10.595 -7.171 1.00 0.00 H new ATOM 0 HD13 LEU A 121 129.749 10.840 -7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 121 130.556 8.486 -5.540 1.00 0.00 H new ATOM 0 HD22 LEU A 121 131.297 10.102 -5.444 1.00 0.00 H new ATOM 0 HD23 LEU A 121 130.567 9.370 -3.996 1.00 0.00 H new ATOM 1972 N LYS A 122 127.942 13.455 -2.410 1.00 0.00 N ATOM 1973 CA LYS A 122 127.791 14.796 -1.879 1.00 0.00 C ATOM 1974 C LYS A 122 127.722 14.865 -0.363 1.00 0.00 C ATOM 1975 O LYS A 122 127.536 15.952 0.191 1.00 0.00 O ATOM 1976 CB LYS A 122 126.591 15.495 -2.485 1.00 0.00 C ATOM 1977 CG LYS A 122 126.840 15.995 -3.874 1.00 0.00 C ATOM 1978 CD LYS A 122 128.000 16.967 -3.858 1.00 0.00 C ATOM 1979 CE LYS A 122 128.214 17.606 -5.196 1.00 0.00 C ATOM 1980 NZ LYS A 122 127.052 18.430 -5.609 1.00 0.00 N ATOM 0 H LYS A 122 127.071 12.928 -2.481 1.00 0.00 H new ATOM 0 HA LYS A 122 128.704 15.316 -2.168 1.00 0.00 H new ATOM 0 HB2 LYS A 122 125.746 14.806 -2.500 1.00 0.00 H new ATOM 0 HB3 LYS A 122 126.308 16.334 -1.849 1.00 0.00 H new ATOM 0 HG2 LYS A 122 127.060 15.160 -4.539 1.00 0.00 H new ATOM 0 HG3 LYS A 122 125.947 16.484 -4.262 1.00 0.00 H new ATOM 0 HD2 LYS A 122 127.815 17.740 -3.112 1.00 0.00 H new ATOM 0 HD3 LYS A 122 128.907 16.444 -3.557 1.00 0.00 H new ATOM 0 HE2 LYS A 122 129.107 18.230 -5.161 1.00 0.00 H new ATOM 0 HE3 LYS A 122 128.394 16.833 -5.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 127.333 19.061 -6.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 126.282 17.809 -5.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 126.726 18.999 -4.802 1.00 0.00 H new ATOM 1994 N SER A 123 127.853 13.753 0.318 1.00 0.00 N ATOM 1995 CA SER A 123 127.810 13.792 1.747 1.00 0.00 C ATOM 1996 C SER A 123 129.140 14.291 2.276 1.00 0.00 C ATOM 1997 O SER A 123 130.181 14.145 1.603 1.00 0.00 O ATOM 1998 CB SER A 123 127.493 12.405 2.317 1.00 0.00 C ATOM 1999 OG SER A 123 128.503 11.456 1.988 1.00 0.00 O ATOM 0 H SER A 123 127.988 12.828 -0.091 1.00 0.00 H new ATOM 0 HA SER A 123 127.019 14.473 2.061 1.00 0.00 H new ATOM 0 HB2 SER A 123 127.395 12.471 3.401 1.00 0.00 H new ATOM 0 HB3 SER A 123 126.533 12.063 1.930 1.00 0.00 H new ATOM 0 HG SER A 123 128.527 11.327 1.017 1.00 0.00 H new ATOM 2005 N ASP A 124 129.130 14.851 3.477 1.00 0.00 N ATOM 2006 CA ASP A 124 130.362 15.295 4.106 1.00 0.00 C ATOM 2007 C ASP A 124 131.198 14.067 4.406 1.00 0.00 C ATOM 2008 O ASP A 124 132.394 14.140 4.543 1.00 0.00 O ATOM 2009 CB ASP A 124 130.101 16.111 5.385 1.00 0.00 C ATOM 2010 CG ASP A 124 131.388 16.654 6.002 1.00 0.00 C ATOM 2011 OD1 ASP A 124 132.010 17.563 5.407 1.00 0.00 O ATOM 2012 OD2 ASP A 124 131.788 16.195 7.108 1.00 0.00 O ATOM 0 H ASP A 124 128.288 15.007 4.031 1.00 0.00 H new ATOM 0 HA ASP A 124 130.893 15.962 3.427 1.00 0.00 H new ATOM 0 HB2 ASP A 124 129.434 16.941 5.153 1.00 0.00 H new ATOM 0 HB3 ASP A 124 129.588 15.484 6.114 1.00 0.00 H new ATOM 2017 N ILE A 125 130.518 12.933 4.505 1.00 0.00 N ATOM 2018 CA ILE A 125 131.133 11.623 4.593 1.00 0.00 C ATOM 2019 C ILE A 125 132.147 11.419 3.438 1.00 0.00 C ATOM 2020 O ILE A 125 133.369 11.340 3.675 1.00 0.00 O ATOM 2021 CB ILE A 125 130.019 10.511 4.567 1.00 0.00 C ATOM 2022 CG1 ILE A 125 129.308 10.384 5.920 1.00 0.00 C ATOM 2023 CG2 ILE A 125 130.503 9.166 4.045 1.00 0.00 C ATOM 2024 CD1 ILE A 125 130.221 9.971 7.057 1.00 0.00 C ATOM 0 H ILE A 125 129.499 12.902 4.527 1.00 0.00 H new ATOM 0 HA ILE A 125 131.679 11.548 5.533 1.00 0.00 H new ATOM 0 HB ILE A 125 129.283 10.852 3.839 1.00 0.00 H new ATOM 0 HG12 ILE A 125 128.845 11.339 6.167 1.00 0.00 H new ATOM 0 HG13 ILE A 125 128.504 9.654 5.830 1.00 0.00 H new ATOM 0 HG21 ILE A 125 129.679 8.453 4.058 1.00 0.00 H new ATOM 0 HG22 ILE A 125 130.867 9.282 3.024 1.00 0.00 H new ATOM 0 HG23 ILE A 125 131.310 8.799 4.679 1.00 0.00 H new ATOM 0 HD11 ILE A 125 129.645 9.903 7.980 1.00 0.00 H new ATOM 0 HD12 ILE A 125 130.664 9.001 6.834 1.00 0.00 H new ATOM 0 HD13 ILE A 125 131.011 10.712 7.177 1.00 0.00 H new ATOM 2036 N TYR A 126 131.655 11.406 2.199 1.00 0.00 N ATOM 2037 CA TYR A 126 132.521 11.171 1.052 1.00 0.00 C ATOM 2038 C TYR A 126 133.406 12.366 0.773 1.00 0.00 C ATOM 2039 O TYR A 126 134.567 12.208 0.413 1.00 0.00 O ATOM 2040 CB TYR A 126 131.727 10.765 -0.196 1.00 0.00 C ATOM 2041 CG TYR A 126 132.579 10.459 -1.423 1.00 0.00 C ATOM 2042 CD1 TYR A 126 133.413 9.354 -1.451 1.00 0.00 C ATOM 2043 CD2 TYR A 126 132.558 11.285 -2.537 1.00 0.00 C ATOM 2044 CE1 TYR A 126 134.193 9.073 -2.549 1.00 0.00 C ATOM 2045 CE2 TYR A 126 133.338 11.015 -3.641 1.00 0.00 C ATOM 2046 CZ TYR A 126 134.150 9.908 -3.644 1.00 0.00 C ATOM 2047 OH TYR A 126 134.944 9.646 -4.731 1.00 0.00 O ATOM 0 H TYR A 126 130.672 11.554 1.969 1.00 0.00 H new ATOM 0 HA TYR A 126 133.166 10.331 1.309 1.00 0.00 H new ATOM 0 HB2 TYR A 126 131.128 9.886 0.042 1.00 0.00 H new ATOM 0 HB3 TYR A 126 131.032 11.567 -0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 126 133.452 8.699 -0.593 1.00 0.00 H new ATOM 0 HD2 TYR A 126 131.919 12.156 -2.540 1.00 0.00 H new ATOM 0 HE1 TYR A 126 134.834 8.204 -2.552 1.00 0.00 H new ATOM 0 HE2 TYR A 126 133.311 11.671 -4.499 1.00 0.00 H new ATOM 0 HH TYR A 126 135.575 8.929 -4.510 1.00 0.00 H new ATOM 2057 N LEU A 127 132.889 13.552 0.984 1.00 0.00 N ATOM 2058 CA LEU A 127 133.671 14.745 0.752 1.00 0.00 C ATOM 2059 C LEU A 127 134.828 14.872 1.767 1.00 0.00 C ATOM 2060 O LEU A 127 135.859 15.478 1.477 1.00 0.00 O ATOM 2061 CB LEU A 127 132.776 15.997 0.659 1.00 0.00 C ATOM 2062 CG LEU A 127 131.786 15.995 -0.518 1.00 0.00 C ATOM 2063 CD1 LEU A 127 130.877 17.209 -0.470 1.00 0.00 C ATOM 2064 CD2 LEU A 127 132.526 15.937 -1.850 1.00 0.00 C ATOM 0 H LEU A 127 131.938 13.718 1.313 1.00 0.00 H new ATOM 0 HA LEU A 127 134.150 14.656 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 127 132.214 16.095 1.588 1.00 0.00 H new ATOM 0 HB3 LEU A 127 133.414 16.877 0.578 1.00 0.00 H new ATOM 0 HG LEU A 127 131.167 15.103 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 127 130.188 17.181 -1.314 1.00 0.00 H new ATOM 0 HD12 LEU A 127 130.311 17.203 0.461 1.00 0.00 H new ATOM 0 HD13 LEU A 127 131.479 18.116 -0.523 1.00 0.00 H new ATOM 0 HD21 LEU A 127 131.805 15.937 -2.667 1.00 0.00 H new ATOM 0 HD22 LEU A 127 133.178 16.806 -1.942 1.00 0.00 H new ATOM 0 HD23 LEU A 127 133.125 15.027 -1.894 1.00 0.00 H new ATOM 2076 N ASP A 128 134.681 14.242 2.927 1.00 0.00 N ATOM 2077 CA ASP A 128 135.769 14.184 3.914 1.00 0.00 C ATOM 2078 C ASP A 128 136.812 13.194 3.445 1.00 0.00 C ATOM 2079 O ASP A 128 138.010 13.411 3.629 1.00 0.00 O ATOM 2080 CB ASP A 128 135.258 13.783 5.303 1.00 0.00 C ATOM 2081 CG ASP A 128 136.337 13.762 6.367 1.00 0.00 C ATOM 2082 OD1 ASP A 128 136.763 14.847 6.816 1.00 0.00 O ATOM 2083 OD2 ASP A 128 136.769 12.665 6.783 1.00 0.00 O ATOM 0 H ASP A 128 133.826 13.764 3.212 1.00 0.00 H new ATOM 0 HA ASP A 128 136.205 15.179 4.000 1.00 0.00 H new ATOM 0 HB2 ASP A 128 134.475 14.477 5.606 1.00 0.00 H new ATOM 0 HB3 ASP A 128 134.802 12.795 5.241 1.00 0.00 H new ATOM 2088 N LEU A 129 136.347 12.108 2.800 1.00 0.00 N ATOM 2089 CA LEU A 129 137.250 11.099 2.222 1.00 0.00 C ATOM 2090 C LEU A 129 138.041 11.770 1.098 1.00 0.00 C ATOM 2091 O LEU A 129 139.217 11.485 0.884 1.00 0.00 O ATOM 2092 CB LEU A 129 136.469 9.900 1.627 1.00 0.00 C ATOM 2093 CG LEU A 129 135.358 9.271 2.491 1.00 0.00 C ATOM 2094 CD1 LEU A 129 134.565 8.279 1.681 1.00 0.00 C ATOM 2095 CD2 LEU A 129 135.919 8.580 3.716 1.00 0.00 C ATOM 0 H LEU A 129 135.356 11.908 2.667 1.00 0.00 H new ATOM 0 HA LEU A 129 137.901 10.719 3.010 1.00 0.00 H new ATOM 0 HB2 LEU A 129 136.021 10.224 0.688 1.00 0.00 H new ATOM 0 HB3 LEU A 129 137.188 9.118 1.384 1.00 0.00 H new ATOM 0 HG LEU A 129 134.710 10.082 2.823 1.00 0.00 H new ATOM 0 HD11 LEU A 129 133.784 7.843 2.304 1.00 0.00 H new ATOM 0 HD12 LEU A 129 134.110 8.785 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 129 135.227 7.490 1.323 1.00 0.00 H new ATOM 0 HD21 LEU A 129 135.103 8.150 4.297 1.00 0.00 H new ATOM 0 HD22 LEU A 129 136.601 7.788 3.407 1.00 0.00 H new ATOM 0 HD23 LEU A 129 136.458 9.304 4.327 1.00 0.00 H new ATOM 2107 N MET A 130 137.362 12.678 0.396 1.00 0.00 N ATOM 2108 CA MET A 130 137.959 13.472 -0.673 1.00 0.00 C ATOM 2109 C MET A 130 139.012 14.409 -0.140 1.00 0.00 C ATOM 2110 O MET A 130 140.114 14.468 -0.673 1.00 0.00 O ATOM 2111 CB MET A 130 136.900 14.297 -1.431 1.00 0.00 C ATOM 2112 CG MET A 130 135.891 13.524 -2.285 1.00 0.00 C ATOM 2113 SD MET A 130 136.627 12.670 -3.703 1.00 0.00 S ATOM 2114 CE MET A 130 137.467 11.307 -2.917 1.00 0.00 C ATOM 0 H MET A 130 136.376 12.883 0.556 1.00 0.00 H new ATOM 0 HA MET A 130 138.419 12.763 -1.361 1.00 0.00 H new ATOM 0 HB2 MET A 130 136.344 14.886 -0.701 1.00 0.00 H new ATOM 0 HB3 MET A 130 137.421 15.002 -2.079 1.00 0.00 H new ATOM 0 HG2 MET A 130 135.384 12.792 -1.656 1.00 0.00 H new ATOM 0 HG3 MET A 130 135.130 14.216 -2.646 1.00 0.00 H new ATOM 0 HE1 MET A 130 138.545 11.448 -2.999 1.00 0.00 H new ATOM 0 HE2 MET A 130 137.185 11.264 -1.865 1.00 0.00 H new ATOM 0 HE3 MET A 130 137.185 10.375 -3.406 1.00 0.00 H new ATOM 2124 N GLU A 131 138.638 15.154 0.901 1.00 0.00 N ATOM 2125 CA GLU A 131 139.481 16.163 1.547 1.00 0.00 C ATOM 2126 C GLU A 131 140.106 17.097 0.504 1.00 0.00 C ATOM 2127 O GLU A 131 141.304 17.029 0.186 1.00 0.00 O ATOM 2128 CB GLU A 131 140.530 15.529 2.480 1.00 0.00 C ATOM 2129 CG GLU A 131 141.304 16.530 3.322 1.00 0.00 C ATOM 2130 CD GLU A 131 140.397 17.405 4.149 1.00 0.00 C ATOM 2131 OE1 GLU A 131 139.951 16.979 5.235 1.00 0.00 O ATOM 2132 OE2 GLU A 131 140.119 18.547 3.739 1.00 0.00 O ATOM 0 H GLU A 131 137.716 15.071 1.330 1.00 0.00 H new ATOM 0 HA GLU A 131 138.844 16.773 2.187 1.00 0.00 H new ATOM 0 HB2 GLU A 131 140.030 14.823 3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 131 141.235 14.956 1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 131 141.988 15.995 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 131 141.913 17.156 2.670 1.00 0.00 H new ATOM 2139 N GLY A 132 139.260 17.888 -0.106 1.00 0.00 N ATOM 2140 CA GLY A 132 139.692 18.787 -1.145 1.00 0.00 C ATOM 2141 C GLY A 132 139.594 18.153 -2.519 1.00 0.00 C ATOM 2142 O GLY A 132 139.433 18.859 -3.519 1.00 0.00 O ATOM 0 H GLY A 132 138.262 17.927 0.101 1.00 0.00 H new ATOM 0 HA2 GLY A 132 139.084 19.691 -1.118 1.00 0.00 H new ATOM 0 HA3 GLY A 132 140.722 19.090 -0.958 1.00 0.00 H new ATOM 2146 N ARG A 133 139.663 16.823 -2.541 1.00 0.00 N ATOM 2147 CA ARG A 133 139.615 15.984 -3.744 1.00 0.00 C ATOM 2148 C ARG A 133 140.861 16.170 -4.594 1.00 0.00 C ATOM 2149 O ARG A 133 141.020 17.196 -5.270 1.00 0.00 O ATOM 2150 CB ARG A 133 138.352 16.196 -4.610 1.00 0.00 C ATOM 2151 CG ARG A 133 138.283 15.232 -5.797 1.00 0.00 C ATOM 2152 CD ARG A 133 137.137 15.534 -6.748 1.00 0.00 C ATOM 2153 NE ARG A 133 135.828 15.501 -6.100 1.00 0.00 N ATOM 2154 CZ ARG A 133 134.772 14.798 -6.521 1.00 0.00 C ATOM 2155 NH1 ARG A 133 134.889 13.932 -7.543 1.00 0.00 N ATOM 2156 NH2 ARG A 133 133.607 14.946 -5.893 1.00 0.00 N ATOM 0 H ARG A 133 139.758 16.274 -1.686 1.00 0.00 H new ATOM 0 HA ARG A 133 139.571 14.959 -3.375 1.00 0.00 H new ATOM 0 HB2 ARG A 133 137.465 16.067 -3.990 1.00 0.00 H new ATOM 0 HB3 ARG A 133 138.337 17.222 -4.978 1.00 0.00 H new ATOM 0 HG2 ARG A 133 139.223 15.275 -6.347 1.00 0.00 H new ATOM 0 HG3 ARG A 133 138.178 14.213 -5.424 1.00 0.00 H new ATOM 0 HD2 ARG A 133 137.291 16.518 -7.192 1.00 0.00 H new ATOM 0 HD3 ARG A 133 137.150 14.811 -7.564 1.00 0.00 H new ATOM 0 HE ARG A 133 135.710 16.061 -5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 133 135.790 13.807 -8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 133 134.077 13.400 -7.857 1.00 0.00 H new ATOM 0 HH21 ARG A 133 133.531 15.588 -5.104 1.00 0.00 H new ATOM 0 HH22 ARG A 133 132.791 14.417 -6.201 1.00 0.00 H new ATOM 2170 N PRO A 134 141.785 15.215 -4.541 1.00 0.00 N ATOM 2171 CA PRO A 134 142.971 15.229 -5.390 1.00 0.00 C ATOM 2172 C PRO A 134 142.564 15.142 -6.861 1.00 0.00 C ATOM 2173 O PRO A 134 141.524 14.538 -7.192 1.00 0.00 O ATOM 2174 CB PRO A 134 143.733 13.961 -4.974 1.00 0.00 C ATOM 2175 CG PRO A 134 142.727 13.105 -4.293 1.00 0.00 C ATOM 2176 CD PRO A 134 141.761 14.047 -3.646 1.00 0.00 C ATOM 0 HA PRO A 134 143.565 16.136 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 134 144.158 13.455 -5.841 1.00 0.00 H new ATOM 0 HB3 PRO A 134 144.561 14.201 -4.307 1.00 0.00 H new ATOM 0 HG2 PRO A 134 142.221 12.454 -5.006 1.00 0.00 H new ATOM 0 HG3 PRO A 134 143.200 12.460 -3.552 1.00 0.00 H new ATOM 0 HD2 PRO A 134 140.763 13.615 -3.574 1.00 0.00 H new ATOM 0 HD3 PRO A 134 142.069 14.308 -2.634 1.00 0.00 H new TER 2184 PRO A 134