USER MOD reduce.3.24.130724 H: found=0, std=0, add=742, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 740 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 39 ASN : amide:sc= -8.99! C(o=-14!,f=-16!) USER MOD Set 1.2: A 42 GLN : amide:sc= -4.89! C(o=-14!,f=-18!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.119 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 12:sc= 0.67 USER MOD Single : A 16 CYS SG : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= 0.555 K(o=0.56,f=-5.6!) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= -0.501 (180deg=-1.62!) USER MOD Single : A 20 HIS : no HD1:sc= -1.18 K(o=-1.2,f=-0.36) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -157:sc= 0.253 (180deg=0.0881) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc=-0.00993 X(o=-0.0099,f=0) USER MOD Single : A 40 GLN : amide:sc= -4.64! K(o=-4.6!,f=-2.8) USER MOD Single : A 43 TYR OH : rot 120:sc= 0.534 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -150:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -0.103 K(o=-0.1,f=-1.8!) USER MOD Single : A 50 ASN : amide:sc= 0.412 X(o=0.41,f=0) USER MOD Single : A 51 MET CE :methyl 177:sc= 0 (180deg=-0.00169) USER MOD Single : A 52 MET CE :methyl 171:sc= -1.02 (180deg=-1.3) USER MOD Single : A 55 LYS NZ :NH3+ -107:sc= -0.731 (180deg=-2.6!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.76 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -109:sc= 0.229 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 15:sc= 0.652 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.644 3.778 16.912 1.00 0.00 N ATOM 2 CA GLY A 1 5.311 5.065 16.845 1.00 0.00 C ATOM 3 C GLY A 1 5.691 5.594 18.214 1.00 0.00 C ATOM 4 O GLY A 1 4.844 5.705 19.100 1.00 0.00 O ATOM 0 H1 GLY A 1 4.405 3.460 15.951 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.275 3.083 17.360 1.00 0.00 H new ATOM 0 H3 GLY A 1 3.773 3.867 17.473 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.208 4.974 16.232 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.658 5.784 16.350 1.00 0.00 H new ATOM 8 N SER A 2 6.969 5.918 18.388 1.00 0.00 N ATOM 9 CA SER A 2 7.460 6.431 19.661 1.00 0.00 C ATOM 10 C SER A 2 6.586 7.580 20.156 1.00 0.00 C ATOM 11 O SER A 2 6.653 8.694 19.637 1.00 0.00 O ATOM 12 CB SER A 2 8.908 6.902 19.519 1.00 0.00 C ATOM 13 OG SER A 2 9.576 6.882 20.771 1.00 0.00 O ATOM 0 H SER A 2 7.682 5.834 17.664 1.00 0.00 H new ATOM 0 HA SER A 2 7.417 5.624 20.392 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.435 6.261 18.812 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.927 7.912 19.109 1.00 0.00 H new ATOM 0 HG SER A 2 10.500 7.186 20.653 1.00 0.00 H new ATOM 19 N SER A 3 5.768 7.300 21.165 1.00 0.00 N ATOM 20 CA SER A 3 4.877 8.307 21.730 1.00 0.00 C ATOM 21 C SER A 3 4.366 9.250 20.645 1.00 0.00 C ATOM 22 O SER A 3 4.292 10.462 20.845 1.00 0.00 O ATOM 23 CB SER A 3 5.600 9.106 22.817 1.00 0.00 C ATOM 24 OG SER A 3 6.845 9.594 22.347 1.00 0.00 O ATOM 0 H SER A 3 5.704 6.384 21.608 1.00 0.00 H new ATOM 0 HA SER A 3 4.023 7.794 22.173 1.00 0.00 H new ATOM 0 HB2 SER A 3 4.975 9.941 23.136 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.760 8.475 23.691 1.00 0.00 H new ATOM 0 HG SER A 3 7.287 10.102 23.059 1.00 0.00 H new ATOM 30 N GLY A 4 4.015 8.684 19.494 1.00 0.00 N ATOM 31 CA GLY A 4 3.515 9.487 18.394 1.00 0.00 C ATOM 32 C GLY A 4 2.007 9.411 18.259 1.00 0.00 C ATOM 33 O GLY A 4 1.484 8.560 17.541 1.00 0.00 O ATOM 0 H GLY A 4 4.068 7.683 19.304 1.00 0.00 H new ATOM 0 HA2 GLY A 4 3.811 10.525 18.542 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.977 9.153 17.465 1.00 0.00 H new ATOM 37 N SER A 5 1.308 10.304 18.953 1.00 0.00 N ATOM 38 CA SER A 5 -0.150 10.331 18.911 1.00 0.00 C ATOM 39 C SER A 5 -0.646 10.756 17.532 1.00 0.00 C ATOM 40 O SER A 5 0.021 11.513 16.826 1.00 0.00 O ATOM 41 CB SER A 5 -0.694 11.283 19.977 1.00 0.00 C ATOM 42 OG SER A 5 -0.672 10.679 21.259 1.00 0.00 O ATOM 0 H SER A 5 1.727 11.017 19.550 1.00 0.00 H new ATOM 0 HA SER A 5 -0.514 9.324 19.114 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.099 12.196 19.991 1.00 0.00 H new ATOM 0 HB3 SER A 5 -1.714 11.572 19.725 1.00 0.00 H new ATOM 0 HG SER A 5 -1.023 11.308 21.923 1.00 0.00 H new ATOM 48 N SER A 6 -1.822 10.264 17.156 1.00 0.00 N ATOM 49 CA SER A 6 -2.407 10.589 15.860 1.00 0.00 C ATOM 50 C SER A 6 -1.360 10.503 14.753 1.00 0.00 C ATOM 51 O SER A 6 -1.333 11.329 13.842 1.00 0.00 O ATOM 52 CB SER A 6 -3.019 11.991 15.890 1.00 0.00 C ATOM 53 OG SER A 6 -2.022 12.977 16.100 1.00 0.00 O ATOM 0 H SER A 6 -2.388 9.639 17.730 1.00 0.00 H new ATOM 0 HA SER A 6 -3.191 9.862 15.651 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.536 12.186 14.950 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.765 12.049 16.682 1.00 0.00 H new ATOM 0 HG SER A 6 -1.135 12.575 15.988 1.00 0.00 H new ATOM 59 N GLY A 7 -0.498 9.493 14.841 1.00 0.00 N ATOM 60 CA GLY A 7 0.539 9.316 13.842 1.00 0.00 C ATOM 61 C GLY A 7 0.075 8.480 12.665 1.00 0.00 C ATOM 62 O GLY A 7 0.750 7.533 12.264 1.00 0.00 O ATOM 0 H GLY A 7 -0.500 8.796 15.585 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.864 10.293 13.484 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.405 8.840 14.302 1.00 0.00 H new ATOM 66 N ILE A 8 -1.082 8.831 12.113 1.00 0.00 N ATOM 67 CA ILE A 8 -1.636 8.106 10.976 1.00 0.00 C ATOM 68 C ILE A 8 -1.488 8.908 9.687 1.00 0.00 C ATOM 69 O ILE A 8 -1.804 10.097 9.644 1.00 0.00 O ATOM 70 CB ILE A 8 -3.123 7.772 11.192 1.00 0.00 C ATOM 71 CG1 ILE A 8 -3.302 6.933 12.459 1.00 0.00 C ATOM 72 CG2 ILE A 8 -3.683 7.041 9.982 1.00 0.00 C ATOM 73 CD1 ILE A 8 -3.447 7.761 13.717 1.00 0.00 C ATOM 0 H ILE A 8 -1.653 9.612 12.435 1.00 0.00 H new ATOM 0 HA ILE A 8 -1.072 7.177 10.889 1.00 0.00 H new ATOM 0 HB ILE A 8 -3.675 8.704 11.316 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -4.183 6.302 12.346 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -2.446 6.268 12.568 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -4.735 6.812 10.150 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -3.586 7.672 9.099 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -3.130 6.114 9.829 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -3.570 7.100 14.575 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.555 8.373 13.855 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -4.320 8.407 13.629 1.00 0.00 H new ATOM 85 N VAL A 9 -1.006 8.249 8.639 1.00 0.00 N ATOM 86 CA VAL A 9 -0.819 8.899 7.347 1.00 0.00 C ATOM 87 C VAL A 9 -1.143 7.947 6.201 1.00 0.00 C ATOM 88 O VAL A 9 -0.988 6.732 6.327 1.00 0.00 O ATOM 89 CB VAL A 9 0.624 9.413 7.182 1.00 0.00 C ATOM 90 CG1 VAL A 9 1.595 8.248 7.059 1.00 0.00 C ATOM 91 CG2 VAL A 9 0.726 10.332 5.974 1.00 0.00 C ATOM 0 H VAL A 9 -0.738 7.265 8.659 1.00 0.00 H new ATOM 0 HA VAL A 9 -1.504 9.746 7.316 1.00 0.00 H new ATOM 0 HB VAL A 9 0.892 9.986 8.070 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.609 8.630 6.943 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.540 7.632 7.957 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.333 7.646 6.189 1.00 0.00 H new ATOM 0 HG21 VAL A 9 1.752 10.686 5.872 1.00 0.00 H new ATOM 0 HG22 VAL A 9 0.440 9.785 5.076 1.00 0.00 H new ATOM 0 HG23 VAL A 9 0.060 11.184 6.108 1.00 0.00 H new ATOM 101 N LEU A 10 -1.591 8.508 5.083 1.00 0.00 N ATOM 102 CA LEU A 10 -1.937 7.710 3.912 1.00 0.00 C ATOM 103 C LEU A 10 -0.847 6.686 3.611 1.00 0.00 C ATOM 104 O LEU A 10 -1.126 5.595 3.110 1.00 0.00 O ATOM 105 CB LEU A 10 -2.152 8.616 2.698 1.00 0.00 C ATOM 106 CG LEU A 10 -3.176 9.738 2.872 1.00 0.00 C ATOM 107 CD1 LEU A 10 -3.156 10.669 1.669 1.00 0.00 C ATOM 108 CD2 LEU A 10 -4.569 9.161 3.078 1.00 0.00 C ATOM 0 H LEU A 10 -1.723 9.512 4.963 1.00 0.00 H new ATOM 0 HA LEU A 10 -2.863 7.176 4.127 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -1.195 9.063 2.429 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -2.462 7.996 1.857 1.00 0.00 H new ATOM 0 HG LEU A 10 -2.908 10.315 3.757 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.891 11.461 1.810 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -2.164 11.108 1.565 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.399 10.105 0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -5.285 9.974 3.200 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -4.846 8.561 2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.575 8.535 3.970 1.00 0.00 H new ATOM 120 N LEU A 11 0.395 7.044 3.919 1.00 0.00 N ATOM 121 CA LEU A 11 1.528 6.155 3.683 1.00 0.00 C ATOM 122 C LEU A 11 1.505 4.974 4.648 1.00 0.00 C ATOM 123 O LEU A 11 1.880 3.859 4.289 1.00 0.00 O ATOM 124 CB LEU A 11 2.843 6.923 3.830 1.00 0.00 C ATOM 125 CG LEU A 11 4.073 6.275 3.193 1.00 0.00 C ATOM 126 CD1 LEU A 11 5.132 7.323 2.890 1.00 0.00 C ATOM 127 CD2 LEU A 11 4.637 5.193 4.102 1.00 0.00 C ATOM 0 H LEU A 11 0.643 7.943 4.332 1.00 0.00 H new ATOM 0 HA LEU A 11 1.450 5.770 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.713 7.914 3.395 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.041 7.065 4.892 1.00 0.00 H new ATOM 0 HG LEU A 11 3.770 5.812 2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.000 6.843 2.437 1.00 0.00 H new ATOM 0 HD12 LEU A 11 4.725 8.063 2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.431 7.816 3.815 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.512 4.743 3.633 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.924 5.633 5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.880 4.427 4.269 1.00 0.00 H new ATOM 139 N ARG A 12 1.059 5.229 5.874 1.00 0.00 N ATOM 140 CA ARG A 12 0.986 4.186 6.892 1.00 0.00 C ATOM 141 C ARG A 12 0.399 2.902 6.312 1.00 0.00 C ATOM 142 O ARG A 12 0.626 1.812 6.837 1.00 0.00 O ATOM 143 CB ARG A 12 0.138 4.658 8.075 1.00 0.00 C ATOM 144 CG ARG A 12 0.325 3.821 9.329 1.00 0.00 C ATOM 145 CD ARG A 12 -0.858 3.962 10.274 1.00 0.00 C ATOM 146 NE ARG A 12 -1.072 2.754 11.068 1.00 0.00 N ATOM 147 CZ ARG A 12 -2.141 2.557 11.831 1.00 0.00 C ATOM 148 NH1 ARG A 12 -3.088 3.481 11.904 1.00 0.00 N ATOM 149 NH2 ARG A 12 -2.264 1.431 12.524 1.00 0.00 N ATOM 0 H ARG A 12 0.743 6.147 6.187 1.00 0.00 H new ATOM 0 HA ARG A 12 1.998 3.979 7.239 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.388 5.695 8.300 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.913 4.638 7.788 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.449 2.774 9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.238 4.127 9.839 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.691 4.809 10.940 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -1.757 4.182 9.699 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.362 2.023 11.034 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.997 4.347 11.373 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -3.908 3.326 12.491 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.537 0.717 12.470 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.085 1.280 13.110 1.00 0.00 H new ATOM 163 N GLY A 13 -0.355 3.039 5.226 1.00 0.00 N ATOM 164 CA GLY A 13 -0.964 1.882 4.595 1.00 0.00 C ATOM 165 C GLY A 13 0.031 0.763 4.357 1.00 0.00 C ATOM 166 O GLY A 13 -0.335 -0.414 4.354 1.00 0.00 O ATOM 0 H GLY A 13 -0.555 3.930 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.776 1.515 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.405 2.180 3.644 1.00 0.00 H new ATOM 170 N LEU A 14 1.293 1.127 4.154 1.00 0.00 N ATOM 171 CA LEU A 14 2.343 0.145 3.911 1.00 0.00 C ATOM 172 C LEU A 14 2.663 -0.636 5.181 1.00 0.00 C ATOM 173 O LEU A 14 2.707 -1.866 5.171 1.00 0.00 O ATOM 174 CB LEU A 14 3.606 0.837 3.394 1.00 0.00 C ATOM 175 CG LEU A 14 3.439 1.679 2.129 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.707 2.469 1.841 1.00 0.00 C ATOM 177 CD2 LEU A 14 3.079 0.796 0.944 1.00 0.00 C ATOM 0 H LEU A 14 1.613 2.095 4.153 1.00 0.00 H new ATOM 0 HA LEU A 14 1.984 -0.555 3.156 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.994 1.479 4.185 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.361 0.075 3.202 1.00 0.00 H new ATOM 0 HG LEU A 14 2.625 2.385 2.292 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.569 3.062 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.922 3.131 2.680 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.540 1.781 1.699 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.964 1.413 0.052 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.871 0.066 0.780 1.00 0.00 H new ATOM 0 HD23 LEU A 14 2.143 0.276 1.149 1.00 0.00 H new ATOM 189 N GLU A 15 2.882 0.087 6.275 1.00 0.00 N ATOM 190 CA GLU A 15 3.195 -0.540 7.555 1.00 0.00 C ATOM 191 C GLU A 15 1.972 -1.251 8.126 1.00 0.00 C ATOM 192 O GLU A 15 2.098 -2.233 8.858 1.00 0.00 O ATOM 193 CB GLU A 15 3.702 0.506 8.550 1.00 0.00 C ATOM 194 CG GLU A 15 5.108 0.998 8.253 1.00 0.00 C ATOM 195 CD GLU A 15 5.515 2.166 9.130 1.00 0.00 C ATOM 196 OE1 GLU A 15 5.726 1.951 10.342 1.00 0.00 O ATOM 197 OE2 GLU A 15 5.625 3.293 8.606 1.00 0.00 O ATOM 0 H GLU A 15 2.849 1.106 6.301 1.00 0.00 H new ATOM 0 HA GLU A 15 3.978 -1.280 7.387 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.021 1.357 8.548 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.679 0.081 9.554 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.813 0.179 8.395 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.171 1.295 7.206 1.00 0.00 H new ATOM 204 N CYS A 16 0.790 -0.747 7.787 1.00 0.00 N ATOM 205 CA CYS A 16 -0.456 -1.333 8.266 1.00 0.00 C ATOM 206 C CYS A 16 -0.492 -2.833 7.995 1.00 0.00 C ATOM 207 O CYS A 16 -0.651 -3.637 8.914 1.00 0.00 O ATOM 208 CB CYS A 16 -1.653 -0.653 7.601 1.00 0.00 C ATOM 209 SG CYS A 16 -2.274 0.790 8.496 1.00 0.00 S ATOM 0 H CYS A 16 0.669 0.066 7.183 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.511 -1.176 9.343 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.370 -0.348 6.593 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -2.460 -1.379 7.500 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.284 1.297 7.854 1.00 0.00 H new ATOM 215 N ILE A 17 -0.346 -3.203 6.727 1.00 0.00 N ATOM 216 CA ILE A 17 -0.362 -4.606 6.334 1.00 0.00 C ATOM 217 C ILE A 17 0.852 -5.346 6.886 1.00 0.00 C ATOM 218 O ILE A 17 1.908 -4.753 7.100 1.00 0.00 O ATOM 219 CB ILE A 17 -0.392 -4.763 4.802 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.732 -3.946 4.163 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.744 -4.334 4.252 1.00 0.00 C ATOM 222 CD1 ILE A 17 1.005 -4.317 2.722 1.00 0.00 C ATOM 0 H ILE A 17 -0.215 -2.550 5.954 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.270 -5.039 6.753 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.238 -5.814 4.556 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.476 -2.888 4.215 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.644 -4.082 4.744 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -1.750 -4.451 3.168 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.527 -4.954 4.688 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -1.925 -3.289 4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.814 -3.698 2.334 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.293 -5.367 2.665 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.106 -4.154 2.128 1.00 0.00 H new ATOM 234 N ASN A 18 0.693 -6.646 7.112 1.00 0.00 N ATOM 235 CA ASN A 18 1.778 -7.468 7.637 1.00 0.00 C ATOM 236 C ASN A 18 2.879 -7.645 6.597 1.00 0.00 C ATOM 237 O ASN A 18 2.633 -7.552 5.394 1.00 0.00 O ATOM 238 CB ASN A 18 1.245 -8.835 8.070 1.00 0.00 C ATOM 239 CG ASN A 18 2.315 -9.694 8.716 1.00 0.00 C ATOM 240 OD1 ASN A 18 2.968 -10.498 8.050 1.00 0.00 O ATOM 241 ND2 ASN A 18 2.500 -9.528 10.021 1.00 0.00 N ATOM 0 H ASN A 18 -0.175 -7.153 6.940 1.00 0.00 H new ATOM 0 HA ASN A 18 2.200 -6.959 8.503 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.422 -8.696 8.771 1.00 0.00 H new ATOM 0 HB3 ASN A 18 0.840 -9.356 7.202 1.00 0.00 H new ATOM 0 HD21 ASN A 18 3.206 -10.078 10.510 1.00 0.00 H new ATOM 0 HD22 ASN A 18 1.936 -8.850 10.534 1.00 0.00 H new ATOM 248 N LYS A 19 4.095 -7.902 7.069 1.00 0.00 N ATOM 249 CA LYS A 19 5.235 -8.094 6.181 1.00 0.00 C ATOM 250 C LYS A 19 4.917 -9.122 5.100 1.00 0.00 C ATOM 251 O LYS A 19 5.363 -8.997 3.959 1.00 0.00 O ATOM 252 CB LYS A 19 6.461 -8.542 6.981 1.00 0.00 C ATOM 253 CG LYS A 19 7.239 -7.393 7.596 1.00 0.00 C ATOM 254 CD LYS A 19 8.094 -6.682 6.561 1.00 0.00 C ATOM 255 CE LYS A 19 9.471 -7.318 6.443 1.00 0.00 C ATOM 256 NZ LYS A 19 9.441 -8.558 5.620 1.00 0.00 N ATOM 0 H LYS A 19 4.316 -7.982 8.062 1.00 0.00 H new ATOM 0 HA LYS A 19 5.452 -7.141 5.698 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.140 -9.218 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.123 -9.109 6.327 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.546 -6.683 8.047 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.874 -7.770 8.397 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.594 -6.711 5.593 1.00 0.00 H new ATOM 0 HD3 LYS A 19 8.199 -5.632 6.834 1.00 0.00 H new ATOM 0 HE2 LYS A 19 10.164 -6.604 5.998 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.849 -7.552 7.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.368 -8.698 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.224 -9.373 6.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 8.710 -8.470 4.886 1.00 0.00 H new ATOM 270 N HIS A 20 4.140 -10.137 5.465 1.00 0.00 N ATOM 271 CA HIS A 20 3.759 -11.186 4.526 1.00 0.00 C ATOM 272 C HIS A 20 3.131 -10.589 3.271 1.00 0.00 C ATOM 273 O HIS A 20 3.587 -10.842 2.155 1.00 0.00 O ATOM 274 CB HIS A 20 2.784 -12.161 5.186 1.00 0.00 C ATOM 275 CG HIS A 20 2.090 -13.065 4.213 1.00 0.00 C ATOM 276 ND1 HIS A 20 2.391 -14.404 4.083 1.00 0.00 N ATOM 277 CD2 HIS A 20 1.103 -12.814 3.321 1.00 0.00 C ATOM 278 CE1 HIS A 20 1.621 -14.937 3.151 1.00 0.00 C ATOM 279 NE2 HIS A 20 0.830 -13.994 2.674 1.00 0.00 N ATOM 0 H HIS A 20 3.762 -10.255 6.405 1.00 0.00 H new ATOM 0 HA HIS A 20 4.660 -11.727 4.237 1.00 0.00 H new ATOM 0 HB2 HIS A 20 3.326 -12.768 5.911 1.00 0.00 H new ATOM 0 HB3 HIS A 20 2.036 -11.594 5.740 1.00 0.00 H new ATOM 0 HD2 HIS A 20 0.620 -11.863 3.150 1.00 0.00 H new ATOM 0 HE1 HIS A 20 1.636 -15.969 2.833 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.130 -14.121 1.943 1.00 0.00 H new ATOM 288 N TYR A 21 2.082 -9.797 3.460 1.00 0.00 N ATOM 289 CA TYR A 21 1.388 -9.166 2.344 1.00 0.00 C ATOM 290 C TYR A 21 2.274 -8.123 1.670 1.00 0.00 C ATOM 291 O TYR A 21 2.226 -7.942 0.454 1.00 0.00 O ATOM 292 CB TYR A 21 0.090 -8.515 2.824 1.00 0.00 C ATOM 293 CG TYR A 21 -1.065 -9.484 2.945 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.455 -10.269 1.867 1.00 0.00 C ATOM 295 CD2 TYR A 21 -1.767 -9.614 4.137 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.510 -11.155 1.972 1.00 0.00 C ATOM 297 CE2 TYR A 21 -2.821 -10.499 4.252 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.189 -11.266 3.167 1.00 0.00 C ATOM 299 OH TYR A 21 -4.241 -12.148 3.277 1.00 0.00 O ATOM 0 H TYR A 21 1.693 -9.576 4.377 1.00 0.00 H new ATOM 0 HA TYR A 21 1.150 -9.940 1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.264 -8.048 3.793 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.185 -7.719 2.132 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.924 -10.185 0.930 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.484 -9.013 4.988 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.801 -11.757 1.124 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.354 -10.590 5.187 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.610 -12.105 4.184 1.00 0.00 H new ATOM 309 N PHE A 22 3.084 -7.439 2.472 1.00 0.00 N ATOM 310 CA PHE A 22 3.982 -6.413 1.956 1.00 0.00 C ATOM 311 C PHE A 22 4.808 -6.949 0.790 1.00 0.00 C ATOM 312 O PHE A 22 5.021 -6.256 -0.204 1.00 0.00 O ATOM 313 CB PHE A 22 4.910 -5.914 3.065 1.00 0.00 C ATOM 314 CG PHE A 22 5.785 -4.767 2.643 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.236 -3.642 2.049 1.00 0.00 C ATOM 316 CD2 PHE A 22 7.156 -4.815 2.840 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.039 -2.585 1.661 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.962 -3.762 2.454 1.00 0.00 C ATOM 319 CZ PHE A 22 7.403 -2.645 1.862 1.00 0.00 C ATOM 0 H PHE A 22 3.137 -7.577 3.481 1.00 0.00 H new ATOM 0 HA PHE A 22 3.375 -5.582 1.597 1.00 0.00 H new ATOM 0 HB2 PHE A 22 4.308 -5.606 3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 22 5.541 -6.738 3.399 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.169 -3.590 1.887 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.599 -5.686 3.301 1.00 0.00 H new ATOM 0 HE1 PHE A 22 5.599 -1.713 1.201 1.00 0.00 H new ATOM 0 HE2 PHE A 22 9.029 -3.811 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.032 -1.821 1.558 1.00 0.00 H new ATOM 329 N SER A 23 5.269 -8.189 0.919 1.00 0.00 N ATOM 330 CA SER A 23 6.074 -8.818 -0.121 1.00 0.00 C ATOM 331 C SER A 23 5.355 -8.773 -1.466 1.00 0.00 C ATOM 332 O SER A 23 5.947 -8.423 -2.488 1.00 0.00 O ATOM 333 CB SER A 23 6.389 -10.267 0.255 1.00 0.00 C ATOM 334 OG SER A 23 7.518 -10.744 -0.457 1.00 0.00 O ATOM 0 H SER A 23 5.099 -8.778 1.734 1.00 0.00 H new ATOM 0 HA SER A 23 7.008 -8.263 -0.210 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.575 -10.336 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.526 -10.898 0.040 1.00 0.00 H new ATOM 0 HG SER A 23 7.700 -11.671 -0.198 1.00 0.00 H new ATOM 340 N LEU A 24 4.076 -9.130 -1.457 1.00 0.00 N ATOM 341 CA LEU A 24 3.274 -9.132 -2.676 1.00 0.00 C ATOM 342 C LEU A 24 3.220 -7.739 -3.295 1.00 0.00 C ATOM 343 O LEU A 24 3.454 -7.570 -4.491 1.00 0.00 O ATOM 344 CB LEU A 24 1.857 -9.626 -2.378 1.00 0.00 C ATOM 345 CG LEU A 24 1.706 -11.127 -2.133 1.00 0.00 C ATOM 346 CD1 LEU A 24 1.876 -11.447 -0.655 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.356 -11.617 -2.635 1.00 0.00 C ATOM 0 H LEU A 24 3.572 -9.422 -0.620 1.00 0.00 H new ATOM 0 HA LEU A 24 3.745 -9.808 -3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.486 -9.096 -1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.214 -9.348 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 24 2.487 -11.646 -2.688 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.765 -12.520 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.867 -11.133 -0.326 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.118 -10.917 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.267 -12.688 -2.452 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.441 -11.091 -2.109 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.273 -11.424 -3.705 1.00 0.00 H new ATOM 359 N PHE A 25 2.912 -6.743 -2.470 1.00 0.00 N ATOM 360 CA PHE A 25 2.829 -5.363 -2.935 1.00 0.00 C ATOM 361 C PHE A 25 4.083 -4.975 -3.713 1.00 0.00 C ATOM 362 O PHE A 25 4.001 -4.381 -4.789 1.00 0.00 O ATOM 363 CB PHE A 25 2.636 -4.414 -1.751 1.00 0.00 C ATOM 364 CG PHE A 25 2.185 -3.039 -2.152 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.086 -2.871 -2.979 1.00 0.00 C ATOM 366 CD2 PHE A 25 2.858 -1.916 -1.702 1.00 0.00 C ATOM 367 CE1 PHE A 25 0.666 -1.607 -3.350 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.443 -0.649 -2.068 1.00 0.00 C ATOM 369 CZ PHE A 25 1.347 -0.495 -2.894 1.00 0.00 C ATOM 0 H PHE A 25 2.716 -6.866 -1.477 1.00 0.00 H new ATOM 0 HA PHE A 25 1.970 -5.281 -3.601 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.903 -4.843 -1.068 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.575 -4.334 -1.203 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.551 -3.738 -3.338 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.717 -2.031 -1.058 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.192 -1.489 -3.995 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.975 0.219 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.023 0.494 -3.183 1.00 0.00 H new ATOM 379 N LYS A 26 5.243 -5.315 -3.162 1.00 0.00 N ATOM 380 CA LYS A 26 6.516 -5.005 -3.802 1.00 0.00 C ATOM 381 C LYS A 26 6.616 -5.678 -5.168 1.00 0.00 C ATOM 382 O LYS A 26 7.335 -5.208 -6.050 1.00 0.00 O ATOM 383 CB LYS A 26 7.680 -5.451 -2.914 1.00 0.00 C ATOM 384 CG LYS A 26 8.120 -4.396 -1.914 1.00 0.00 C ATOM 385 CD LYS A 26 9.229 -4.912 -1.013 1.00 0.00 C ATOM 386 CE LYS A 26 8.716 -5.964 -0.042 1.00 0.00 C ATOM 387 NZ LYS A 26 9.791 -6.456 0.863 1.00 0.00 N ATOM 0 H LYS A 26 5.328 -5.806 -2.272 1.00 0.00 H new ATOM 0 HA LYS A 26 6.570 -3.926 -3.944 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.390 -6.353 -2.374 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.527 -5.717 -3.546 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.465 -3.510 -2.446 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.268 -4.091 -1.306 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.026 -5.337 -1.623 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.662 -4.081 -0.455 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.905 -5.544 0.553 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.300 -6.802 -0.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.538 -7.399 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.687 -6.514 0.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.900 -5.799 1.662 1.00 0.00 H new ATOM 401 N SER A 27 5.892 -6.779 -5.334 1.00 0.00 N ATOM 402 CA SER A 27 5.901 -7.518 -6.591 1.00 0.00 C ATOM 403 C SER A 27 5.100 -6.782 -7.661 1.00 0.00 C ATOM 404 O SER A 27 5.502 -6.723 -8.823 1.00 0.00 O ATOM 405 CB SER A 27 5.330 -8.923 -6.386 1.00 0.00 C ATOM 406 OG SER A 27 5.826 -9.822 -7.362 1.00 0.00 O ATOM 0 H SER A 27 5.291 -7.180 -4.614 1.00 0.00 H new ATOM 0 HA SER A 27 6.934 -7.599 -6.928 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.589 -9.283 -5.390 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.242 -8.888 -6.439 1.00 0.00 H new ATOM 0 HG SER A 27 5.448 -10.713 -7.208 1.00 0.00 H new ATOM 412 N LEU A 28 3.965 -6.221 -7.259 1.00 0.00 N ATOM 413 CA LEU A 28 3.106 -5.487 -8.181 1.00 0.00 C ATOM 414 C LEU A 28 3.703 -4.125 -8.516 1.00 0.00 C ATOM 415 O LEU A 28 3.429 -3.557 -9.574 1.00 0.00 O ATOM 416 CB LEU A 28 1.711 -5.312 -7.579 1.00 0.00 C ATOM 417 CG LEU A 28 1.041 -6.581 -7.053 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.009 -6.240 -5.990 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.397 -7.357 -8.193 1.00 0.00 C ATOM 0 H LEU A 28 3.618 -6.260 -6.301 1.00 0.00 H new ATOM 0 HA LEU A 28 3.028 -6.064 -9.103 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.778 -4.595 -6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.063 -4.871 -8.337 1.00 0.00 H new ATOM 0 HG LEU A 28 1.807 -7.210 -6.598 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.457 -7.156 -5.628 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.497 -5.729 -5.160 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.754 -5.590 -6.419 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.075 -8.257 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.356 -6.735 -8.677 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.160 -7.636 -8.920 1.00 0.00 H new ATOM 431 N LEU A 29 4.522 -3.606 -7.609 1.00 0.00 N ATOM 432 CA LEU A 29 5.162 -2.310 -7.808 1.00 0.00 C ATOM 433 C LEU A 29 6.554 -2.476 -8.410 1.00 0.00 C ATOM 434 O LEU A 29 7.106 -1.541 -8.990 1.00 0.00 O ATOM 435 CB LEU A 29 5.255 -1.555 -6.480 1.00 0.00 C ATOM 436 CG LEU A 29 4.013 -0.763 -6.069 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.527 0.103 -7.222 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.910 -1.704 -5.605 1.00 0.00 C ATOM 0 H LEU A 29 4.759 -4.062 -6.728 1.00 0.00 H new ATOM 0 HA LEU A 29 4.552 -1.735 -8.504 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.480 -2.273 -5.692 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.098 -0.867 -6.535 1.00 0.00 H new ATOM 0 HG LEU A 29 4.280 -0.110 -5.238 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.643 0.659 -6.912 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.313 0.802 -7.509 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.277 -0.531 -8.073 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.034 -1.123 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.645 -2.382 -6.416 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.260 -2.282 -4.750 1.00 0.00 H new ATOM 450 N ALA A 30 7.115 -3.672 -8.269 1.00 0.00 N ATOM 451 CA ALA A 30 8.439 -3.962 -8.803 1.00 0.00 C ATOM 452 C ALA A 30 8.623 -3.342 -10.184 1.00 0.00 C ATOM 453 O ALA A 30 9.696 -2.830 -10.508 1.00 0.00 O ATOM 454 CB ALA A 30 8.667 -5.466 -8.864 1.00 0.00 C ATOM 0 H ALA A 30 6.673 -4.456 -7.789 1.00 0.00 H new ATOM 0 HA ALA A 30 9.177 -3.520 -8.134 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.660 -5.667 -9.265 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.588 -5.887 -7.862 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.916 -5.922 -9.509 1.00 0.00 H new ATOM 460 N ARG A 31 7.571 -3.390 -10.994 1.00 0.00 N ATOM 461 CA ARG A 31 7.618 -2.834 -12.341 1.00 0.00 C ATOM 462 C ARG A 31 7.653 -1.309 -12.298 1.00 0.00 C ATOM 463 O ARG A 31 8.482 -0.679 -12.955 1.00 0.00 O ATOM 464 CB ARG A 31 6.409 -3.304 -13.153 1.00 0.00 C ATOM 465 CG ARG A 31 5.166 -3.541 -12.311 1.00 0.00 C ATOM 466 CD ARG A 31 5.099 -4.974 -11.807 1.00 0.00 C ATOM 467 NE ARG A 31 4.451 -5.863 -12.767 1.00 0.00 N ATOM 468 CZ ARG A 31 3.158 -5.808 -13.064 1.00 0.00 C ATOM 469 NH1 ARG A 31 2.377 -4.911 -12.476 1.00 0.00 N ATOM 470 NH2 ARG A 31 2.642 -6.651 -13.949 1.00 0.00 N ATOM 0 H ARG A 31 6.676 -3.808 -10.741 1.00 0.00 H new ATOM 0 HA ARG A 31 8.530 -3.189 -12.822 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.184 -2.560 -13.917 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.667 -4.227 -13.673 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.163 -2.856 -11.463 1.00 0.00 H new ATOM 0 HG3 ARG A 31 4.277 -3.320 -12.902 1.00 0.00 H new ATOM 0 HD2 ARG A 31 6.108 -5.334 -11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.554 -5.001 -10.863 1.00 0.00 H new ATOM 0 HE ARG A 31 5.023 -6.565 -13.236 1.00 0.00 H new ATOM 0 HH11 ARG A 31 2.770 -4.262 -11.794 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.384 -4.871 -12.706 1.00 0.00 H new ATOM 0 HH21 ARG A 31 3.239 -7.343 -14.402 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.649 -6.607 -14.176 1.00 0.00 H new ATOM 484 N ASP A 32 6.748 -0.722 -11.523 1.00 0.00 N ATOM 485 CA ASP A 32 6.675 0.728 -11.394 1.00 0.00 C ATOM 486 C ASP A 32 7.920 1.275 -10.702 1.00 0.00 C ATOM 487 O ASP A 32 8.683 2.044 -11.289 1.00 0.00 O ATOM 488 CB ASP A 32 5.424 1.130 -10.612 1.00 0.00 C ATOM 489 CG ASP A 32 4.170 0.466 -11.147 1.00 0.00 C ATOM 490 OD1 ASP A 32 3.941 -0.717 -10.821 1.00 0.00 O ATOM 491 OD2 ASP A 32 3.417 1.131 -11.890 1.00 0.00 O ATOM 0 H ASP A 32 6.054 -1.229 -10.974 1.00 0.00 H new ATOM 0 HA ASP A 32 6.620 1.155 -12.396 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.553 0.864 -9.563 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.305 2.213 -10.654 1.00 0.00 H new ATOM 496 N LEU A 33 8.119 0.875 -9.452 1.00 0.00 N ATOM 497 CA LEU A 33 9.270 1.326 -8.678 1.00 0.00 C ATOM 498 C LEU A 33 10.564 0.745 -9.239 1.00 0.00 C ATOM 499 O LEU A 33 11.656 1.083 -8.785 1.00 0.00 O ATOM 500 CB LEU A 33 9.112 0.924 -7.210 1.00 0.00 C ATOM 501 CG LEU A 33 7.828 1.386 -6.522 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.722 0.784 -5.129 1.00 0.00 C ATOM 503 CD2 LEU A 33 7.774 2.905 -6.454 1.00 0.00 C ATOM 0 H LEU A 33 7.498 0.239 -8.952 1.00 0.00 H new ATOM 0 HA LEU A 33 9.320 2.413 -8.747 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.165 -0.163 -7.144 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.961 1.319 -6.653 1.00 0.00 H new ATOM 0 HG LEU A 33 6.979 1.039 -7.111 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.802 1.124 -4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.712 -0.303 -5.202 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.577 1.099 -4.530 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.853 3.215 -5.961 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.630 3.275 -5.889 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.801 3.316 -7.463 1.00 0.00 H new ATOM 515 N ASN A 34 10.433 -0.129 -10.232 1.00 0.00 N ATOM 516 CA ASN A 34 11.591 -0.755 -10.858 1.00 0.00 C ATOM 517 C ASN A 34 12.491 -1.403 -9.809 1.00 0.00 C ATOM 518 O ASN A 34 13.707 -1.202 -9.809 1.00 0.00 O ATOM 519 CB ASN A 34 12.386 0.278 -11.659 1.00 0.00 C ATOM 520 CG ASN A 34 11.677 0.688 -12.936 1.00 0.00 C ATOM 521 OD1 ASN A 34 11.659 -0.057 -13.915 1.00 0.00 O ATOM 522 ND2 ASN A 34 11.090 1.879 -12.930 1.00 0.00 N ATOM 0 H ASN A 34 9.536 -0.420 -10.620 1.00 0.00 H new ATOM 0 HA ASN A 34 11.232 -1.531 -11.534 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.556 1.160 -11.042 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.365 -0.132 -11.906 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.598 2.209 -13.760 1.00 0.00 H new ATOM 0 HD22 ASN A 34 11.131 2.463 -12.095 1.00 0.00 H new ATOM 529 N LEU A 35 11.887 -2.180 -8.918 1.00 0.00 N ATOM 530 CA LEU A 35 12.633 -2.859 -7.864 1.00 0.00 C ATOM 531 C LEU A 35 13.424 -4.035 -8.428 1.00 0.00 C ATOM 532 O LEU A 35 13.253 -4.412 -9.586 1.00 0.00 O ATOM 533 CB LEU A 35 11.681 -3.347 -6.770 1.00 0.00 C ATOM 534 CG LEU A 35 10.611 -2.353 -6.320 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.468 -3.076 -5.625 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.214 -1.299 -5.403 1.00 0.00 C ATOM 0 H LEU A 35 10.882 -2.356 -8.904 1.00 0.00 H new ATOM 0 HA LEU A 35 13.335 -2.146 -7.433 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.184 -4.250 -7.125 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.274 -3.631 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 35 10.213 -1.853 -7.203 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.716 -2.352 -5.312 1.00 0.00 H new ATOM 0 HD12 LEU A 35 9.018 -3.792 -6.313 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.849 -3.604 -4.751 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.438 -0.600 -5.092 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.640 -1.782 -4.524 1.00 0.00 H new ATOM 0 HD23 LEU A 35 11.997 -0.759 -5.935 1.00 0.00 H new ATOM 548 N GLU A 36 14.288 -4.613 -7.598 1.00 0.00 N ATOM 549 CA GLU A 36 15.104 -5.748 -8.014 1.00 0.00 C ATOM 550 C GLU A 36 14.451 -7.066 -7.608 1.00 0.00 C ATOM 551 O GLU A 36 14.554 -7.493 -6.458 1.00 0.00 O ATOM 552 CB GLU A 36 16.503 -5.650 -7.404 1.00 0.00 C ATOM 553 CG GLU A 36 17.434 -4.716 -8.160 1.00 0.00 C ATOM 554 CD GLU A 36 18.574 -4.208 -7.301 1.00 0.00 C ATOM 555 OE1 GLU A 36 18.325 -3.339 -6.438 1.00 0.00 O ATOM 556 OE2 GLU A 36 19.716 -4.676 -7.491 1.00 0.00 O ATOM 0 H GLU A 36 14.440 -4.314 -6.635 1.00 0.00 H new ATOM 0 HA GLU A 36 15.187 -5.723 -9.101 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.417 -5.307 -6.373 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.947 -6.645 -7.373 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.841 -5.238 -9.026 1.00 0.00 H new ATOM 0 HG3 GLU A 36 16.863 -3.868 -8.538 1.00 0.00 H new ATOM 563 N ARG A 37 13.777 -7.704 -8.559 1.00 0.00 N ATOM 564 CA ARG A 37 13.105 -8.972 -8.301 1.00 0.00 C ATOM 565 C ARG A 37 13.966 -9.873 -7.419 1.00 0.00 C ATOM 566 O ARG A 37 13.451 -10.738 -6.711 1.00 0.00 O ATOM 567 CB ARG A 37 12.787 -9.682 -9.617 1.00 0.00 C ATOM 568 CG ARG A 37 11.899 -8.873 -10.547 1.00 0.00 C ATOM 569 CD ARG A 37 10.438 -8.957 -10.135 1.00 0.00 C ATOM 570 NE ARG A 37 9.842 -10.242 -10.492 1.00 0.00 N ATOM 571 CZ ARG A 37 9.531 -10.587 -11.737 1.00 0.00 C ATOM 572 NH1 ARG A 37 9.758 -9.749 -12.738 1.00 0.00 N ATOM 573 NH2 ARG A 37 8.992 -11.775 -11.981 1.00 0.00 N ATOM 0 H ARG A 37 13.682 -7.363 -9.516 1.00 0.00 H new ATOM 0 HA ARG A 37 12.173 -8.761 -7.776 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.721 -9.913 -10.130 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.300 -10.632 -9.399 1.00 0.00 H new ATOM 0 HG2 ARG A 37 12.220 -7.831 -10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.012 -9.238 -11.568 1.00 0.00 H new ATOM 0 HD2 ARG A 37 10.356 -8.806 -9.059 1.00 0.00 H new ATOM 0 HD3 ARG A 37 9.879 -8.153 -10.614 1.00 0.00 H new ATOM 0 HE ARG A 37 9.654 -10.911 -9.745 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.173 -8.835 -12.554 1.00 0.00 H new ATOM 0 HH12 ARG A 37 9.518 -10.017 -13.692 1.00 0.00 H new ATOM 0 HH21 ARG A 37 8.817 -12.423 -11.213 1.00 0.00 H new ATOM 0 HH22 ARG A 37 8.753 -12.040 -12.937 1.00 0.00 H new ATOM 587 N ASP A 38 15.276 -9.663 -7.469 1.00 0.00 N ATOM 588 CA ASP A 38 16.208 -10.456 -6.675 1.00 0.00 C ATOM 589 C ASP A 38 16.494 -9.779 -5.337 1.00 0.00 C ATOM 590 O ASP A 38 16.693 -10.447 -4.324 1.00 0.00 O ATOM 591 CB ASP A 38 17.514 -10.668 -7.443 1.00 0.00 C ATOM 592 CG ASP A 38 17.321 -11.507 -8.690 1.00 0.00 C ATOM 593 OD1 ASP A 38 16.752 -12.613 -8.580 1.00 0.00 O ATOM 594 OD2 ASP A 38 17.740 -11.058 -9.777 1.00 0.00 O ATOM 0 H ASP A 38 15.717 -8.951 -8.051 1.00 0.00 H new ATOM 0 HA ASP A 38 15.749 -11.425 -6.481 1.00 0.00 H new ATOM 0 HB2 ASP A 38 17.930 -9.700 -7.721 1.00 0.00 H new ATOM 0 HB3 ASP A 38 18.241 -11.153 -6.791 1.00 0.00 H new ATOM 599 N ASN A 39 16.513 -8.451 -5.344 1.00 0.00 N ATOM 600 CA ASN A 39 16.776 -7.684 -4.132 1.00 0.00 C ATOM 601 C ASN A 39 15.526 -6.934 -3.680 1.00 0.00 C ATOM 602 O ASN A 39 15.592 -5.758 -3.325 1.00 0.00 O ATOM 603 CB ASN A 39 17.920 -6.696 -4.367 1.00 0.00 C ATOM 604 CG ASN A 39 18.712 -6.417 -3.104 1.00 0.00 C ATOM 605 OD1 ASN A 39 18.503 -7.057 -2.073 1.00 0.00 O ATOM 606 ND2 ASN A 39 19.628 -5.459 -3.179 1.00 0.00 N ATOM 0 H ASN A 39 16.349 -7.883 -6.175 1.00 0.00 H new ATOM 0 HA ASN A 39 17.063 -8.382 -3.346 1.00 0.00 H new ATOM 0 HB2 ASN A 39 18.588 -7.093 -5.131 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.515 -5.760 -4.753 1.00 0.00 H new ATOM 0 HD21 ASN A 39 20.192 -5.228 -2.361 1.00 0.00 H new ATOM 0 HD22 ASN A 39 19.767 -4.954 -4.054 1.00 0.00 H new ATOM 613 N GLN A 40 14.391 -7.624 -3.696 1.00 0.00 N ATOM 614 CA GLN A 40 13.126 -7.023 -3.289 1.00 0.00 C ATOM 615 C GLN A 40 12.923 -7.151 -1.783 1.00 0.00 C ATOM 616 O GLN A 40 12.162 -6.393 -1.183 1.00 0.00 O ATOM 617 CB GLN A 40 11.962 -7.682 -4.030 1.00 0.00 C ATOM 618 CG GLN A 40 11.616 -7.001 -5.345 1.00 0.00 C ATOM 619 CD GLN A 40 10.320 -7.513 -5.944 1.00 0.00 C ATOM 620 OE1 GLN A 40 9.420 -7.949 -5.224 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.218 -7.464 -7.267 1.00 0.00 N ATOM 0 H GLN A 40 14.321 -8.599 -3.986 1.00 0.00 H new ATOM 0 HA GLN A 40 13.157 -5.964 -3.545 1.00 0.00 H new ATOM 0 HB2 GLN A 40 12.210 -8.725 -4.225 1.00 0.00 H new ATOM 0 HB3 GLN A 40 11.083 -7.678 -3.386 1.00 0.00 H new ATOM 0 HG2 GLN A 40 11.537 -5.926 -5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.427 -7.158 -6.056 1.00 0.00 H new ATOM 0 HE21 GLN A 40 10.988 -7.095 -7.825 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.369 -7.795 -7.726 1.00 0.00 H new ATOM 630 N GLU A 41 13.609 -8.116 -1.178 1.00 0.00 N ATOM 631 CA GLU A 41 13.501 -8.344 0.258 1.00 0.00 C ATOM 632 C GLU A 41 14.256 -7.271 1.037 1.00 0.00 C ATOM 633 O GLU A 41 13.726 -6.687 1.981 1.00 0.00 O ATOM 634 CB GLU A 41 14.044 -9.729 0.619 1.00 0.00 C ATOM 635 CG GLU A 41 14.089 -9.993 2.115 1.00 0.00 C ATOM 636 CD GLU A 41 14.769 -11.305 2.455 1.00 0.00 C ATOM 637 OE1 GLU A 41 14.117 -12.362 2.330 1.00 0.00 O ATOM 638 OE2 GLU A 41 15.955 -11.274 2.847 1.00 0.00 O ATOM 0 H GLU A 41 14.245 -8.752 -1.660 1.00 0.00 H new ATOM 0 HA GLU A 41 12.447 -8.292 0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 41 13.424 -10.489 0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.049 -9.834 0.209 1.00 0.00 H new ATOM 0 HG2 GLU A 41 14.616 -9.176 2.609 1.00 0.00 H new ATOM 0 HG3 GLU A 41 13.073 -10.002 2.509 1.00 0.00 H new ATOM 645 N GLN A 42 15.497 -7.018 0.633 1.00 0.00 N ATOM 646 CA GLN A 42 16.325 -6.016 1.294 1.00 0.00 C ATOM 647 C GLN A 42 15.544 -4.725 1.518 1.00 0.00 C ATOM 648 O GLN A 42 15.807 -3.986 2.467 1.00 0.00 O ATOM 649 CB GLN A 42 17.578 -5.730 0.462 1.00 0.00 C ATOM 650 CG GLN A 42 17.307 -4.888 -0.775 1.00 0.00 C ATOM 651 CD GLN A 42 18.529 -4.119 -1.236 1.00 0.00 C ATOM 652 OE1 GLN A 42 19.627 -4.303 -0.711 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.344 -3.249 -2.222 1.00 0.00 N ATOM 0 H GLN A 42 15.951 -7.492 -0.148 1.00 0.00 H new ATOM 0 HA GLN A 42 16.624 -6.411 2.265 1.00 0.00 H new ATOM 0 HB2 GLN A 42 18.310 -5.218 1.087 1.00 0.00 H new ATOM 0 HB3 GLN A 42 18.025 -6.676 0.157 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.964 -5.535 -1.582 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.500 -4.187 -0.563 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.416 -3.128 -2.628 1.00 0.00 H new ATOM 0 HE22 GLN A 42 19.130 -2.701 -2.573 1.00 0.00 H new ATOM 662 N TYR A 43 14.584 -4.461 0.639 1.00 0.00 N ATOM 663 CA TYR A 43 13.766 -3.257 0.740 1.00 0.00 C ATOM 664 C TYR A 43 12.748 -3.384 1.869 1.00 0.00 C ATOM 665 O TYR A 43 12.296 -4.483 2.194 1.00 0.00 O ATOM 666 CB TYR A 43 13.046 -2.993 -0.584 1.00 0.00 C ATOM 667 CG TYR A 43 13.980 -2.661 -1.725 1.00 0.00 C ATOM 668 CD1 TYR A 43 15.011 -1.743 -1.561 1.00 0.00 C ATOM 669 CD2 TYR A 43 13.832 -3.264 -2.968 1.00 0.00 C ATOM 670 CE1 TYR A 43 15.867 -1.437 -2.601 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.684 -2.963 -4.013 1.00 0.00 C ATOM 672 CZ TYR A 43 15.699 -2.049 -3.825 1.00 0.00 C ATOM 673 OH TYR A 43 16.549 -1.748 -4.865 1.00 0.00 O ATOM 0 H TYR A 43 14.353 -5.063 -0.151 1.00 0.00 H new ATOM 0 HA TYR A 43 14.425 -2.417 0.962 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.459 -3.872 -0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.344 -2.170 -0.449 1.00 0.00 H new ATOM 0 HD1 TYR A 43 15.145 -1.261 -0.604 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.038 -3.980 -3.120 1.00 0.00 H new ATOM 0 HE1 TYR A 43 16.664 -0.722 -2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 43 14.556 -3.441 -4.973 1.00 0.00 H new ATOM 0 HH TYR A 43 17.007 -2.563 -5.160 1.00 0.00 H new ATOM 683 N THR A 44 12.390 -2.251 2.464 1.00 0.00 N ATOM 684 CA THR A 44 11.426 -2.232 3.558 1.00 0.00 C ATOM 685 C THR A 44 10.349 -1.181 3.322 1.00 0.00 C ATOM 686 O THR A 44 10.492 -0.309 2.464 1.00 0.00 O ATOM 687 CB THR A 44 12.114 -1.954 4.908 1.00 0.00 C ATOM 688 OG1 THR A 44 12.639 -0.622 4.925 1.00 0.00 O ATOM 689 CG2 THR A 44 13.235 -2.950 5.160 1.00 0.00 C ATOM 0 H THR A 44 12.753 -1.333 2.207 1.00 0.00 H new ATOM 0 HA THR A 44 10.965 -3.219 3.591 1.00 0.00 H new ATOM 0 HB THR A 44 11.371 -2.061 5.698 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.073 -0.452 5.787 1.00 0.00 H new ATOM 0 HG21 THR A 44 13.706 -2.733 6.119 1.00 0.00 H new ATOM 0 HG22 THR A 44 12.827 -3.961 5.176 1.00 0.00 H new ATOM 0 HG23 THR A 44 13.977 -2.871 4.366 1.00 0.00 H new ATOM 697 N THR A 45 9.267 -1.266 4.091 1.00 0.00 N ATOM 698 CA THR A 45 8.164 -0.322 3.966 1.00 0.00 C ATOM 699 C THR A 45 8.675 1.110 3.855 1.00 0.00 C ATOM 700 O THR A 45 8.000 1.978 3.302 1.00 0.00 O ATOM 701 CB THR A 45 7.202 -0.420 5.165 1.00 0.00 C ATOM 702 OG1 THR A 45 7.911 -0.170 6.384 1.00 0.00 O ATOM 703 CG2 THR A 45 6.550 -1.793 5.224 1.00 0.00 C ATOM 0 H THR A 45 9.132 -1.980 4.807 1.00 0.00 H new ATOM 0 HA THR A 45 7.626 -0.584 3.055 1.00 0.00 H new ATOM 0 HB THR A 45 6.422 0.330 5.039 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.489 -0.667 7.116 1.00 0.00 H new ATOM 0 HG21 THR A 45 5.875 -1.839 6.079 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.987 -1.968 4.307 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.320 -2.557 5.329 1.00 0.00 H new ATOM 711 N ILE A 46 9.871 1.348 4.383 1.00 0.00 N ATOM 712 CA ILE A 46 10.474 2.675 4.342 1.00 0.00 C ATOM 713 C ILE A 46 10.976 3.007 2.941 1.00 0.00 C ATOM 714 O ILE A 46 10.422 3.868 2.260 1.00 0.00 O ATOM 715 CB ILE A 46 11.643 2.794 5.337 1.00 0.00 C ATOM 716 CG1 ILE A 46 11.119 2.796 6.775 1.00 0.00 C ATOM 717 CG2 ILE A 46 12.447 4.055 5.060 1.00 0.00 C ATOM 718 CD1 ILE A 46 10.126 3.900 7.055 1.00 0.00 C ATOM 0 H ILE A 46 10.442 0.639 4.844 1.00 0.00 H new ATOM 0 HA ILE A 46 9.696 3.384 4.624 1.00 0.00 H new ATOM 0 HB ILE A 46 12.298 1.932 5.210 1.00 0.00 H new ATOM 0 HG12 ILE A 46 10.649 1.835 6.983 1.00 0.00 H new ATOM 0 HG13 ILE A 46 11.961 2.894 7.460 1.00 0.00 H new ATOM 0 HG21 ILE A 46 13.270 4.125 5.771 1.00 0.00 H new ATOM 0 HG22 ILE A 46 12.846 4.017 4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 46 11.802 4.928 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 46 9.798 3.840 8.093 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.598 4.867 6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 46 9.265 3.791 6.395 1.00 0.00 H new ATOM 730 N GLN A 47 12.030 2.314 2.517 1.00 0.00 N ATOM 731 CA GLN A 47 12.607 2.535 1.197 1.00 0.00 C ATOM 732 C GLN A 47 11.517 2.606 0.131 1.00 0.00 C ATOM 733 O GLN A 47 11.431 3.580 -0.618 1.00 0.00 O ATOM 734 CB GLN A 47 13.597 1.419 0.857 1.00 0.00 C ATOM 735 CG GLN A 47 14.697 1.247 1.890 1.00 0.00 C ATOM 736 CD GLN A 47 15.909 2.112 1.603 1.00 0.00 C ATOM 737 OE1 GLN A 47 15.917 2.891 0.650 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.941 1.979 2.428 1.00 0.00 N ATOM 0 H GLN A 47 12.500 1.596 3.069 1.00 0.00 H new ATOM 0 HA GLN A 47 13.136 3.488 1.214 1.00 0.00 H new ATOM 0 HB2 GLN A 47 13.053 0.480 0.758 1.00 0.00 H new ATOM 0 HB3 GLN A 47 14.050 1.629 -0.112 1.00 0.00 H new ATOM 0 HG2 GLN A 47 14.305 1.494 2.877 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.001 0.201 1.920 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.891 1.321 3.206 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.784 2.535 2.284 1.00 0.00 H new ATOM 747 N ILE A 48 10.689 1.569 0.069 1.00 0.00 N ATOM 748 CA ILE A 48 9.605 1.515 -0.904 1.00 0.00 C ATOM 749 C ILE A 48 8.705 2.741 -0.792 1.00 0.00 C ATOM 750 O ILE A 48 8.301 3.320 -1.800 1.00 0.00 O ATOM 751 CB ILE A 48 8.751 0.247 -0.725 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.624 -1.004 -0.848 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.626 0.216 -1.751 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.126 -1.255 -2.252 1.00 0.00 C ATOM 0 H ILE A 48 10.748 0.755 0.681 1.00 0.00 H new ATOM 0 HA ILE A 48 10.067 1.495 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 48 8.309 0.263 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 48 10.478 -0.909 -0.177 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.052 -1.870 -0.515 1.00 0.00 H new ATOM 0 HG21 ILE A 48 7.031 -0.687 -1.611 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.991 1.093 -1.622 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.049 0.220 -2.755 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.737 -2.157 -2.264 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.278 -1.383 -2.924 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.725 -0.406 -2.581 1.00 0.00 H new ATOM 766 N ALA A 49 8.395 3.130 0.439 1.00 0.00 N ATOM 767 CA ALA A 49 7.546 4.290 0.683 1.00 0.00 C ATOM 768 C ALA A 49 8.128 5.542 0.037 1.00 0.00 C ATOM 769 O ALA A 49 7.394 6.444 -0.365 1.00 0.00 O ATOM 770 CB ALA A 49 7.360 4.502 2.178 1.00 0.00 C ATOM 0 H ALA A 49 8.719 2.659 1.284 1.00 0.00 H new ATOM 0 HA ALA A 49 6.573 4.099 0.230 1.00 0.00 H new ATOM 0 HB1 ALA A 49 6.724 5.371 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.892 3.620 2.615 1.00 0.00 H new ATOM 0 HB3 ALA A 49 8.331 4.667 2.646 1.00 0.00 H new ATOM 776 N ASN A 50 9.453 5.592 -0.058 1.00 0.00 N ATOM 777 CA ASN A 50 10.134 6.736 -0.654 1.00 0.00 C ATOM 778 C ASN A 50 9.968 6.737 -2.171 1.00 0.00 C ATOM 779 O ASN A 50 9.437 7.687 -2.746 1.00 0.00 O ATOM 780 CB ASN A 50 11.620 6.717 -0.292 1.00 0.00 C ATOM 781 CG ASN A 50 11.898 7.379 1.043 1.00 0.00 C ATOM 782 OD1 ASN A 50 12.310 8.539 1.099 1.00 0.00 O ATOM 783 ND2 ASN A 50 11.676 6.645 2.126 1.00 0.00 N ATOM 0 H ASN A 50 10.076 4.854 0.270 1.00 0.00 H new ATOM 0 HA ASN A 50 9.682 7.645 -0.256 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.971 5.685 -0.263 1.00 0.00 H new ATOM 0 HB3 ASN A 50 12.188 7.225 -1.072 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.847 7.037 3.052 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.335 5.688 2.033 1.00 0.00 H new ATOM 790 N MET A 51 10.425 5.667 -2.812 1.00 0.00 N ATOM 791 CA MET A 51 10.326 5.544 -4.261 1.00 0.00 C ATOM 792 C MET A 51 8.944 5.966 -4.750 1.00 0.00 C ATOM 793 O MET A 51 8.820 6.711 -5.722 1.00 0.00 O ATOM 794 CB MET A 51 10.614 4.105 -4.694 1.00 0.00 C ATOM 795 CG MET A 51 12.095 3.759 -4.705 1.00 0.00 C ATOM 796 SD MET A 51 12.671 3.119 -3.121 1.00 0.00 S ATOM 797 CE MET A 51 13.180 1.467 -3.589 1.00 0.00 C ATOM 0 H MET A 51 10.868 4.872 -2.351 1.00 0.00 H new ATOM 0 HA MET A 51 11.068 6.206 -4.707 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.094 3.421 -4.023 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.204 3.945 -5.691 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.285 3.019 -5.482 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.670 4.648 -4.964 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.611 0.961 -2.725 1.00 0.00 H new ATOM 0 HE2 MET A 51 12.315 0.907 -3.944 1.00 0.00 H new ATOM 0 HE3 MET A 51 13.924 1.527 -4.383 1.00 0.00 H new ATOM 807 N MET A 52 7.909 5.487 -4.068 1.00 0.00 N ATOM 808 CA MET A 52 6.536 5.817 -4.433 1.00 0.00 C ATOM 809 C MET A 52 6.258 7.301 -4.219 1.00 0.00 C ATOM 810 O MET A 52 5.796 7.992 -5.126 1.00 0.00 O ATOM 811 CB MET A 52 5.552 4.977 -3.615 1.00 0.00 C ATOM 812 CG MET A 52 5.646 3.486 -3.896 1.00 0.00 C ATOM 813 SD MET A 52 4.295 2.554 -3.151 1.00 0.00 S ATOM 814 CE MET A 52 3.164 2.433 -4.535 1.00 0.00 C ATOM 0 H MET A 52 7.995 4.870 -3.260 1.00 0.00 H new ATOM 0 HA MET A 52 6.403 5.590 -5.491 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.733 5.151 -2.554 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.537 5.315 -3.825 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.645 3.322 -4.974 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.596 3.108 -3.517 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.353 1.750 -4.283 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.753 3.418 -4.756 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.697 2.057 -5.409 1.00 0.00 H new ATOM 824 N GLU A 53 6.541 7.783 -3.012 1.00 0.00 N ATOM 825 CA GLU A 53 6.319 9.185 -2.680 1.00 0.00 C ATOM 826 C GLU A 53 6.761 10.092 -3.824 1.00 0.00 C ATOM 827 O GLU A 53 6.231 11.189 -4.000 1.00 0.00 O ATOM 828 CB GLU A 53 7.074 9.555 -1.401 1.00 0.00 C ATOM 829 CG GLU A 53 6.286 9.285 -0.129 1.00 0.00 C ATOM 830 CD GLU A 53 5.313 10.399 0.201 1.00 0.00 C ATOM 831 OE1 GLU A 53 5.291 11.406 -0.538 1.00 0.00 O ATOM 832 OE2 GLU A 53 4.573 10.266 1.198 1.00 0.00 O ATOM 0 H GLU A 53 6.924 7.224 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 53 5.251 9.328 -2.518 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.008 8.994 -1.366 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.338 10.612 -1.438 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.738 8.349 -0.237 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.979 9.154 0.702 1.00 0.00 H new ATOM 839 N GLU A 54 7.737 9.627 -4.598 1.00 0.00 N ATOM 840 CA GLU A 54 8.252 10.397 -5.725 1.00 0.00 C ATOM 841 C GLU A 54 7.530 10.021 -7.015 1.00 0.00 C ATOM 842 O GLU A 54 7.035 10.886 -7.738 1.00 0.00 O ATOM 843 CB GLU A 54 9.756 10.167 -5.883 1.00 0.00 C ATOM 844 CG GLU A 54 10.564 10.555 -4.656 1.00 0.00 C ATOM 845 CD GLU A 54 10.220 11.942 -4.147 1.00 0.00 C ATOM 846 OE1 GLU A 54 10.692 12.930 -4.747 1.00 0.00 O ATOM 847 OE2 GLU A 54 9.477 12.038 -3.147 1.00 0.00 O ATOM 0 H GLU A 54 8.187 8.721 -4.465 1.00 0.00 H new ATOM 0 HA GLU A 54 8.073 11.453 -5.523 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.933 9.115 -6.106 1.00 0.00 H new ATOM 0 HB3 GLU A 54 10.114 10.739 -6.739 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.388 9.827 -3.864 1.00 0.00 H new ATOM 0 HG3 GLU A 54 11.626 10.513 -4.897 1.00 0.00 H new ATOM 854 N LYS A 55 7.474 8.723 -7.299 1.00 0.00 N ATOM 855 CA LYS A 55 6.813 8.231 -8.502 1.00 0.00 C ATOM 856 C LYS A 55 5.434 8.863 -8.662 1.00 0.00 C ATOM 857 O LYS A 55 5.170 9.562 -9.641 1.00 0.00 O ATOM 858 CB LYS A 55 6.684 6.707 -8.449 1.00 0.00 C ATOM 859 CG LYS A 55 7.959 5.975 -8.836 1.00 0.00 C ATOM 860 CD LYS A 55 8.195 6.023 -10.336 1.00 0.00 C ATOM 861 CE LYS A 55 7.294 5.043 -11.073 1.00 0.00 C ATOM 862 NZ LYS A 55 5.987 5.657 -11.435 1.00 0.00 N ATOM 0 H LYS A 55 7.879 7.994 -6.712 1.00 0.00 H new ATOM 0 HA LYS A 55 7.423 8.509 -9.362 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.396 6.410 -7.441 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.879 6.395 -9.115 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.808 6.422 -8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.897 4.937 -8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.012 7.033 -10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.238 5.791 -10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.796 4.697 -11.977 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.123 4.166 -10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.240 5.270 -10.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.040 6.688 -11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.766 5.443 -12.428 1.00 0.00 H new ATOM 876 N PHE A 56 4.557 8.612 -7.695 1.00 0.00 N ATOM 877 CA PHE A 56 3.206 9.157 -7.729 1.00 0.00 C ATOM 878 C PHE A 56 3.042 10.273 -6.701 1.00 0.00 C ATOM 879 O PHE A 56 2.563 10.060 -5.587 1.00 0.00 O ATOM 880 CB PHE A 56 2.181 8.052 -7.465 1.00 0.00 C ATOM 881 CG PHE A 56 2.633 6.693 -7.920 1.00 0.00 C ATOM 882 CD1 PHE A 56 2.400 6.269 -9.217 1.00 0.00 C ATOM 883 CD2 PHE A 56 3.292 5.842 -7.048 1.00 0.00 C ATOM 884 CE1 PHE A 56 2.815 5.020 -9.638 1.00 0.00 C ATOM 885 CE2 PHE A 56 3.710 4.590 -7.463 1.00 0.00 C ATOM 886 CZ PHE A 56 3.472 4.180 -8.760 1.00 0.00 C ATOM 0 H PHE A 56 4.759 8.035 -6.879 1.00 0.00 H new ATOM 0 HA PHE A 56 3.035 9.574 -8.722 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.965 8.016 -6.397 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.249 8.304 -7.970 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.888 6.922 -9.908 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.482 6.159 -6.033 1.00 0.00 H new ATOM 0 HE1 PHE A 56 2.626 4.701 -10.652 1.00 0.00 H new ATOM 0 HE2 PHE A 56 4.222 3.935 -6.774 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.799 3.204 -9.087 1.00 0.00 H new ATOM 896 N PRO A 57 3.451 11.492 -7.083 1.00 0.00 N ATOM 897 CA PRO A 57 3.362 12.666 -6.210 1.00 0.00 C ATOM 898 C PRO A 57 1.921 13.113 -5.985 1.00 0.00 C ATOM 899 O PRO A 57 1.667 14.091 -5.283 1.00 0.00 O ATOM 900 CB PRO A 57 4.140 13.739 -6.976 1.00 0.00 C ATOM 901 CG PRO A 57 4.053 13.322 -8.403 1.00 0.00 C ATOM 902 CD PRO A 57 4.033 11.818 -8.396 1.00 0.00 C ATOM 0 HA PRO A 57 3.756 12.463 -5.214 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.705 14.727 -6.825 1.00 0.00 H new ATOM 0 HB3 PRO A 57 5.176 13.792 -6.641 1.00 0.00 H new ATOM 0 HG2 PRO A 57 3.154 13.722 -8.872 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.903 13.698 -8.972 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.431 11.420 -9.213 1.00 0.00 H new ATOM 0 HD3 PRO A 57 5.034 11.402 -8.506 1.00 0.00 H new ATOM 910 N ALA A 58 0.981 12.389 -6.584 1.00 0.00 N ATOM 911 CA ALA A 58 -0.434 12.709 -6.447 1.00 0.00 C ATOM 912 C ALA A 58 -1.067 11.919 -5.307 1.00 0.00 C ATOM 913 O ALA A 58 -1.673 12.493 -4.402 1.00 0.00 O ATOM 914 CB ALA A 58 -1.166 12.435 -7.753 1.00 0.00 C ATOM 0 H ALA A 58 1.175 11.576 -7.169 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.521 13.770 -6.211 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.222 12.678 -7.636 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.738 13.048 -8.546 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.063 11.382 -8.014 1.00 0.00 H new ATOM 920 N ASP A 59 -0.925 10.599 -5.358 1.00 0.00 N ATOM 921 CA ASP A 59 -1.484 9.730 -4.329 1.00 0.00 C ATOM 922 C ASP A 59 -0.389 9.214 -3.400 1.00 0.00 C ATOM 923 O ASP A 59 -0.665 8.776 -2.284 1.00 0.00 O ATOM 924 CB ASP A 59 -2.222 8.553 -4.971 1.00 0.00 C ATOM 925 CG ASP A 59 -1.590 8.117 -6.277 1.00 0.00 C ATOM 926 OD1 ASP A 59 -1.747 8.840 -7.283 1.00 0.00 O ATOM 927 OD2 ASP A 59 -0.938 7.051 -6.295 1.00 0.00 O ATOM 0 H ASP A 59 -0.428 10.108 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.191 10.314 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.232 7.712 -4.277 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.260 8.832 -5.149 1.00 0.00 H new ATOM 932 N SER A 60 0.853 9.269 -3.870 1.00 0.00 N ATOM 933 CA SER A 60 1.989 8.803 -3.083 1.00 0.00 C ATOM 934 C SER A 60 1.869 7.312 -2.786 1.00 0.00 C ATOM 935 O SER A 60 2.353 6.830 -1.763 1.00 0.00 O ATOM 936 CB SER A 60 2.087 9.590 -1.775 1.00 0.00 C ATOM 937 OG SER A 60 2.059 10.986 -2.016 1.00 0.00 O ATOM 0 H SER A 60 1.098 9.631 -4.791 1.00 0.00 H new ATOM 0 HA SER A 60 2.895 8.967 -3.666 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.262 9.315 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 60 3.009 9.326 -1.256 1.00 0.00 H new ATOM 0 HG SER A 60 2.121 11.466 -1.164 1.00 0.00 H new ATOM 943 N GLY A 61 1.217 6.585 -3.690 1.00 0.00 N ATOM 944 CA GLY A 61 1.044 5.156 -3.506 1.00 0.00 C ATOM 945 C GLY A 61 -0.241 4.816 -2.778 1.00 0.00 C ATOM 946 O GLY A 61 -0.543 3.645 -2.549 1.00 0.00 O ATOM 0 H GLY A 61 0.806 6.960 -4.545 1.00 0.00 H new ATOM 0 HA2 GLY A 61 1.048 4.665 -4.479 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.891 4.760 -2.946 1.00 0.00 H new ATOM 950 N LEU A 62 -1.000 5.843 -2.410 1.00 0.00 N ATOM 951 CA LEU A 62 -2.260 5.648 -1.702 1.00 0.00 C ATOM 952 C LEU A 62 -3.216 4.786 -2.519 1.00 0.00 C ATOM 953 O LEU A 62 -3.477 3.634 -2.175 1.00 0.00 O ATOM 954 CB LEU A 62 -2.909 6.999 -1.394 1.00 0.00 C ATOM 955 CG LEU A 62 -4.352 6.951 -0.892 1.00 0.00 C ATOM 956 CD1 LEU A 62 -4.440 6.168 0.409 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.900 8.359 -0.708 1.00 0.00 C ATOM 0 H LEU A 62 -0.764 6.819 -2.590 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.046 5.133 -0.766 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.302 7.509 -0.646 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.880 7.608 -2.298 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.959 6.441 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -5.475 6.145 0.751 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.089 5.149 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.819 6.648 1.165 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.928 8.305 -0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -4.290 8.895 0.020 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.875 8.887 -1.661 1.00 0.00 H new ATOM 969 N GLY A 63 -3.736 5.352 -3.604 1.00 0.00 N ATOM 970 CA GLY A 63 -4.657 4.620 -4.454 1.00 0.00 C ATOM 971 C GLY A 63 -4.116 3.264 -4.862 1.00 0.00 C ATOM 972 O GLY A 63 -4.852 2.279 -4.902 1.00 0.00 O ATOM 0 H GLY A 63 -3.536 6.304 -3.909 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.603 4.487 -3.930 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.867 5.208 -5.348 1.00 0.00 H new ATOM 976 N LYS A 64 -2.823 3.212 -5.168 1.00 0.00 N ATOM 977 CA LYS A 64 -2.183 1.967 -5.575 1.00 0.00 C ATOM 978 C LYS A 64 -2.303 0.909 -4.483 1.00 0.00 C ATOM 979 O LYS A 64 -2.581 -0.257 -4.762 1.00 0.00 O ATOM 980 CB LYS A 64 -0.708 2.212 -5.902 1.00 0.00 C ATOM 981 CG LYS A 64 -0.103 1.156 -6.811 1.00 0.00 C ATOM 982 CD LYS A 64 -0.375 1.459 -8.275 1.00 0.00 C ATOM 983 CE LYS A 64 -0.277 0.205 -9.131 1.00 0.00 C ATOM 984 NZ LYS A 64 -0.983 0.365 -10.431 1.00 0.00 N ATOM 0 H LYS A 64 -2.198 4.018 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.692 1.601 -6.467 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.607 3.188 -6.376 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -0.140 2.248 -4.973 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.973 1.103 -6.643 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.514 0.178 -6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.369 1.895 -8.379 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.338 2.202 -8.633 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.772 -0.029 -9.314 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.702 -0.639 -8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.893 -0.511 -10.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.989 0.563 -10.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.561 1.154 -10.960 1.00 0.00 H new ATOM 998 N LEU A 65 -2.095 1.325 -3.239 1.00 0.00 N ATOM 999 CA LEU A 65 -2.181 0.414 -2.103 1.00 0.00 C ATOM 1000 C LEU A 65 -3.611 -0.088 -1.915 1.00 0.00 C ATOM 1001 O LEU A 65 -3.844 -1.290 -1.784 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.702 1.108 -0.828 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.581 0.224 0.415 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.957 -0.089 0.982 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.834 -1.059 0.085 1.00 0.00 C ATOM 0 H LEU A 65 -1.866 2.287 -2.991 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.537 -0.442 -2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.728 1.556 -1.026 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.389 1.924 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.014 0.767 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.852 -0.719 1.866 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.458 0.840 1.256 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.549 -0.613 0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.757 -1.676 0.980 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.374 -1.606 -0.687 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.166 -0.816 -0.275 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.561 0.840 -1.907 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.967 0.491 -1.740 1.00 0.00 C ATOM 1019 C ILE A 66 -6.336 -0.723 -2.584 1.00 0.00 C ATOM 1020 O ILE A 66 -6.918 -1.684 -2.085 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.887 1.667 -2.118 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.847 2.745 -1.034 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.311 1.175 -2.333 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -7.122 4.137 -1.555 1.00 0.00 C ATOM 0 H ILE A 66 -4.384 1.839 -2.014 1.00 0.00 H new ATOM 0 HA ILE A 66 -6.111 0.253 -0.686 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.529 2.105 -3.050 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -7.580 2.502 -0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.867 2.732 -0.556 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.950 2.017 -2.600 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.324 0.440 -3.138 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.680 0.716 -1.416 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -7.077 4.849 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.374 4.400 -2.303 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -8.113 4.167 -2.007 1.00 0.00 H new ATOM 1036 N GLU A 67 -5.992 -0.671 -3.868 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.288 -1.768 -4.782 1.00 0.00 C ATOM 1038 C GLU A 67 -5.720 -3.083 -4.256 1.00 0.00 C ATOM 1039 O GLU A 67 -6.442 -4.069 -4.113 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.715 -1.472 -6.170 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.453 -0.370 -6.911 1.00 0.00 C ATOM 1042 CD GLU A 67 -6.076 -0.299 -8.378 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -6.358 -1.269 -9.112 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -5.500 0.729 -8.793 1.00 0.00 O ATOM 0 H GLU A 67 -5.509 0.118 -4.298 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.371 -1.864 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.667 -1.191 -6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -5.744 -2.383 -6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.527 -0.535 -6.823 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.238 0.588 -6.438 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.423 -3.088 -3.969 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.757 -4.281 -3.461 1.00 0.00 C ATOM 1053 C PHE A 68 -4.603 -4.960 -2.387 1.00 0.00 C ATOM 1054 O PHE A 68 -4.660 -6.188 -2.312 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.384 -3.921 -2.890 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.691 -5.074 -2.221 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.271 -6.169 -2.958 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.461 -5.062 -0.854 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.634 -7.232 -2.345 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -0.824 -6.121 -0.236 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.411 -7.207 -0.982 1.00 0.00 C ATOM 0 H PHE A 68 -3.812 -2.279 -4.080 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.627 -4.975 -4.291 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.752 -3.545 -3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.500 -3.110 -2.171 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.443 -6.193 -4.024 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.783 -4.216 -0.266 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.311 -8.080 -2.931 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -0.649 -6.099 0.830 1.00 0.00 H new ATOM 0 HZ PHE A 68 0.086 -8.036 -0.500 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.257 -4.153 -1.559 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.100 -4.674 -0.490 1.00 0.00 C ATOM 1073 C CYS A 69 -7.442 -5.147 -1.036 1.00 0.00 C ATOM 1074 O CYS A 69 -7.986 -6.155 -0.585 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.320 -3.604 0.582 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.793 -2.919 1.265 1.00 0.00 S ATOM 0 H CYS A 69 -5.219 -3.135 -1.608 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.590 -5.527 -0.043 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.910 -2.793 0.155 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.908 -4.033 1.393 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.082 -2.022 2.161 1.00 0.00 H new ATOM 1082 N GLU A 70 -7.973 -4.412 -2.010 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.253 -4.756 -2.615 1.00 0.00 C ATOM 1084 C GLU A 70 -9.267 -6.215 -3.067 1.00 0.00 C ATOM 1085 O GLU A 70 -10.189 -6.965 -2.746 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.542 -3.840 -3.806 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.023 -2.455 -3.406 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.901 -1.814 -4.463 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -10.416 -1.614 -5.596 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -12.074 -1.514 -4.156 1.00 0.00 O ATOM 0 H GLU A 70 -7.535 -3.575 -2.396 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.030 -4.619 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.637 -3.742 -4.406 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.295 -4.308 -4.439 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.578 -2.524 -2.471 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.161 -1.815 -3.219 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.239 -6.607 -3.811 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.134 -7.974 -4.308 1.00 0.00 C ATOM 1099 C GLU A 71 -8.207 -8.976 -3.159 1.00 0.00 C ATOM 1100 O GLU A 71 -8.919 -9.979 -3.240 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.826 -8.161 -5.080 1.00 0.00 C ATOM 1102 CG GLU A 71 -6.607 -7.123 -6.167 1.00 0.00 C ATOM 1103 CD GLU A 71 -7.601 -7.252 -7.306 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -7.310 -7.999 -8.262 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -8.666 -6.604 -7.240 1.00 0.00 O ATOM 0 H GLU A 71 -7.467 -5.998 -4.083 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.973 -8.155 -4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.992 -8.123 -4.379 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.819 -9.154 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.685 -6.126 -5.733 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -5.595 -7.222 -6.560 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.467 -8.700 -2.091 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.448 -9.576 -0.927 1.00 0.00 C ATOM 1114 C VAL A 72 -8.627 -9.289 -0.004 1.00 0.00 C ATOM 1115 O VAL A 72 -8.810 -8.173 0.483 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.138 -9.423 -0.131 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.025 -10.510 0.927 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -4.940 -9.451 -1.066 1.00 0.00 C ATOM 0 H VAL A 72 -6.872 -7.876 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.522 -10.598 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.152 -8.458 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.093 -10.385 1.479 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.867 -10.437 1.615 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.034 -11.488 0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.023 -9.342 -0.486 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -4.919 -10.400 -1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.017 -8.632 -1.781 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.449 -10.320 0.244 1.00 0.00 N ATOM 1129 CA PRO A 73 -10.625 -10.205 1.111 1.00 0.00 C ATOM 1130 C PRO A 73 -10.249 -10.025 2.578 1.00 0.00 C ATOM 1131 O PRO A 73 -11.114 -9.831 3.431 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.350 -11.537 0.904 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.283 -12.488 0.487 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.292 -11.679 -0.303 1.00 0.00 C ATOM 0 HA PRO A 73 -11.229 -9.332 0.864 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -11.839 -11.868 1.820 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.124 -11.452 0.142 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -9.809 -12.947 1.354 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -10.695 -13.297 -0.116 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.275 -12.050 -0.173 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.508 -11.710 -1.371 1.00 0.00 H new ATOM 1142 N ALA A 74 -8.952 -10.091 2.864 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.461 -9.933 4.227 1.00 0.00 C ATOM 1144 C ALA A 74 -7.945 -8.518 4.464 1.00 0.00 C ATOM 1145 O ALA A 74 -7.861 -8.059 5.604 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.369 -10.951 4.516 1.00 0.00 C ATOM 0 H ALA A 74 -8.223 -10.253 2.169 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.293 -10.107 4.909 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.012 -10.821 5.538 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.769 -11.958 4.397 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.542 -10.805 3.821 1.00 0.00 H new ATOM 1152 N LEU A 75 -7.599 -7.830 3.381 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.090 -6.466 3.472 1.00 0.00 C ATOM 1154 C LEU A 75 -8.169 -5.456 3.096 1.00 0.00 C ATOM 1155 O LEU A 75 -8.048 -4.266 3.387 1.00 0.00 O ATOM 1156 CB LEU A 75 -5.874 -6.294 2.560 1.00 0.00 C ATOM 1157 CG LEU A 75 -4.636 -7.110 2.931 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -3.442 -6.682 2.091 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.326 -6.966 4.414 1.00 0.00 C ATOM 0 H LEU A 75 -7.662 -8.194 2.430 1.00 0.00 H new ATOM 0 HA LEU A 75 -6.792 -6.283 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.167 -6.558 1.544 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.599 -5.239 2.549 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.842 -8.160 2.724 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.570 -7.274 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.665 -6.839 1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.234 -5.626 2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.442 -7.554 4.660 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.141 -5.917 4.647 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.173 -7.324 4.999 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.224 -5.938 2.448 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.325 -5.078 2.033 1.00 0.00 C ATOM 1173 C ARG A 76 -10.777 -4.181 3.182 1.00 0.00 C ATOM 1174 O ARG A 76 -11.174 -3.034 2.970 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.502 -5.921 1.538 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.453 -6.220 0.050 1.00 0.00 C ATOM 1177 CD ARG A 76 -12.660 -7.032 -0.396 1.00 0.00 C ATOM 1178 NE ARG A 76 -12.874 -6.949 -1.838 1.00 0.00 N ATOM 1179 CZ ARG A 76 -13.894 -7.524 -2.464 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -14.790 -8.219 -1.778 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -14.020 -7.404 -3.780 1.00 0.00 N ATOM 0 H ARG A 76 -9.339 -6.920 2.199 1.00 0.00 H new ATOM 0 HA ARG A 76 -9.971 -4.447 1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.521 -6.862 2.089 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.432 -5.400 1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.416 -5.285 -0.509 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -10.539 -6.767 -0.182 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.521 -8.075 -0.110 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.549 -6.675 0.123 1.00 0.00 H new ATOM 0 HE ARG A 76 -12.203 -6.420 -2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -14.697 -8.313 -0.767 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -15.573 -8.660 -2.261 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -13.333 -6.870 -4.312 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -14.804 -7.846 -4.260 1.00 0.00 H new ATOM 1195 N LYS A 77 -10.713 -4.709 4.399 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.114 -3.957 5.582 1.00 0.00 C ATOM 1197 C LYS A 77 -10.413 -2.603 5.629 1.00 0.00 C ATOM 1198 O LYS A 77 -11.059 -1.564 5.769 1.00 0.00 O ATOM 1199 CB LYS A 77 -10.795 -4.754 6.850 1.00 0.00 C ATOM 1200 CG LYS A 77 -11.334 -4.117 8.119 1.00 0.00 C ATOM 1201 CD LYS A 77 -11.415 -5.123 9.256 1.00 0.00 C ATOM 1202 CE LYS A 77 -10.116 -5.180 10.044 1.00 0.00 C ATOM 1203 NZ LYS A 77 -9.996 -6.443 10.824 1.00 0.00 N ATOM 0 H LYS A 77 -10.387 -5.656 4.592 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.189 -3.787 5.528 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -11.209 -5.757 6.753 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -9.714 -4.863 6.939 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -10.692 -3.286 8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -12.324 -3.702 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -12.235 -4.855 9.923 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -11.641 -6.111 8.854 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -9.272 -5.094 9.360 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -10.065 -4.328 10.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.097 -6.444 11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -10.788 -6.513 11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.019 -7.255 10.175 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.089 -2.622 5.512 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.301 -1.396 5.541 1.00 0.00 C ATOM 1219 C ARG A 78 -8.577 -0.544 4.305 1.00 0.00 C ATOM 1220 O ARG A 78 -8.681 0.679 4.394 1.00 0.00 O ATOM 1221 CB ARG A 78 -6.810 -1.724 5.626 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.404 -2.382 6.935 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.049 -1.346 7.991 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.762 -1.961 9.284 1.00 0.00 N ATOM 1225 CZ ARG A 78 -6.699 -2.447 10.091 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -7.976 -2.391 9.738 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -6.360 -2.990 11.253 1.00 0.00 N ATOM 0 H ARG A 78 -8.540 -3.474 5.396 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.591 -0.828 6.425 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.544 -2.384 4.800 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.237 -0.806 5.498 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -7.219 -3.008 7.297 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -5.550 -3.038 6.765 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.182 -0.774 7.661 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -6.873 -0.641 8.099 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.789 -2.021 9.584 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.241 -1.974 8.845 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.694 -2.765 10.359 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.379 -3.035 11.528 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.081 -3.363 11.871 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.693 -1.199 3.155 1.00 0.00 N ATOM 1242 CA ALA A 79 -8.956 -0.502 1.903 1.00 0.00 C ATOM 1243 C ALA A 79 -10.099 0.496 2.059 1.00 0.00 C ATOM 1244 O ALA A 79 -9.946 1.679 1.758 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.274 -1.501 0.799 1.00 0.00 C ATOM 0 H ALA A 79 -8.609 -2.212 3.065 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.058 0.053 1.630 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.468 -0.966 -0.131 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.427 -2.173 0.661 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.155 -2.080 1.075 1.00 0.00 H new ATOM 1251 N GLU A 80 -11.243 0.010 2.532 1.00 0.00 N ATOM 1252 CA GLU A 80 -12.410 0.861 2.727 1.00 0.00 C ATOM 1253 C GLU A 80 -12.092 2.015 3.674 1.00 0.00 C ATOM 1254 O GLU A 80 -12.740 3.060 3.634 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.579 0.042 3.280 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.223 -0.771 4.513 1.00 0.00 C ATOM 1257 CD GLU A 80 -14.448 -1.276 5.253 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -15.076 -0.475 5.975 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -14.776 -2.472 5.108 1.00 0.00 O ATOM 0 H GLU A 80 -11.386 -0.967 2.787 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.690 1.275 1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -14.400 0.716 3.524 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.940 -0.632 2.503 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.606 -1.620 4.218 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.623 -0.159 5.186 1.00 0.00 H new ATOM 1266 N ILE A 81 -11.089 1.815 4.522 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.683 2.839 5.478 1.00 0.00 C ATOM 1268 C ILE A 81 -9.773 3.872 4.824 1.00 0.00 C ATOM 1269 O ILE A 81 -9.893 5.071 5.077 1.00 0.00 O ATOM 1270 CB ILE A 81 -9.957 2.222 6.687 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -10.883 1.257 7.430 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -9.463 3.316 7.623 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.197 0.497 8.543 1.00 0.00 C ATOM 0 H ILE A 81 -10.543 0.955 4.567 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.594 3.329 5.823 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.095 1.662 6.326 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.720 1.818 7.846 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.299 0.545 6.718 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.952 2.864 8.473 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.772 3.968 7.088 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -10.311 3.901 7.979 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.914 -0.168 9.025 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.377 -0.091 8.130 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.805 1.201 9.277 1.00 0.00 H new ATOM 1285 N LEU A 82 -8.862 3.399 3.980 1.00 0.00 N ATOM 1286 CA LEU A 82 -7.931 4.283 3.286 1.00 0.00 C ATOM 1287 C LEU A 82 -8.673 5.224 2.343 1.00 0.00 C ATOM 1288 O LEU A 82 -8.213 6.331 2.065 1.00 0.00 O ATOM 1289 CB LEU A 82 -6.905 3.461 2.503 1.00 0.00 C ATOM 1290 CG LEU A 82 -6.154 2.391 3.298 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.477 1.407 2.358 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -5.134 3.035 4.224 1.00 0.00 C ATOM 0 H LEU A 82 -8.748 2.410 3.760 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.413 4.883 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -7.416 2.976 1.672 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -6.174 4.145 2.072 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.874 1.844 3.907 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.948 0.653 2.940 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.229 0.923 1.735 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.768 1.939 1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.609 2.260 4.782 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.417 3.607 3.634 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.644 3.701 4.920 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.824 4.775 1.853 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.633 5.578 0.944 1.00 0.00 C ATOM 1306 C LYS A 83 -11.325 6.716 1.689 1.00 0.00 C ATOM 1307 O LYS A 83 -11.195 7.882 1.319 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.677 4.701 0.249 1.00 0.00 C ATOM 1309 CG LYS A 83 -11.077 3.666 -0.686 1.00 0.00 C ATOM 1310 CD LYS A 83 -12.054 2.537 -0.970 1.00 0.00 C ATOM 1311 CE LYS A 83 -11.337 1.287 -1.454 1.00 0.00 C ATOM 1312 NZ LYS A 83 -12.224 0.091 -1.419 1.00 0.00 N ATOM 0 H LYS A 83 -10.217 3.859 2.070 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.970 6.009 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -12.274 4.192 1.006 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -12.356 5.339 -0.317 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -10.790 4.144 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.168 3.259 -0.244 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -12.618 2.307 -0.066 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -12.774 2.859 -1.722 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -10.979 1.444 -2.472 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -10.460 1.107 -0.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -11.918 -0.546 -0.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.205 0.391 -1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -12.170 -0.408 -2.330 1.00 0.00 H new ATOM 1326 N LYS A 84 -12.056 6.368 2.742 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.766 7.359 3.542 1.00 0.00 C ATOM 1328 C LYS A 84 -11.922 8.617 3.723 1.00 0.00 C ATOM 1329 O LYS A 84 -12.388 9.729 3.476 1.00 0.00 O ATOM 1330 CB LYS A 84 -13.130 6.775 4.909 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.953 7.716 5.772 1.00 0.00 C ATOM 1332 CD LYS A 84 -15.397 7.782 5.304 1.00 0.00 C ATOM 1333 CE LYS A 84 -16.118 8.989 5.885 1.00 0.00 C ATOM 1334 NZ LYS A 84 -15.985 10.188 5.013 1.00 0.00 N ATOM 0 H LYS A 84 -12.172 5.406 3.062 1.00 0.00 H new ATOM 0 HA LYS A 84 -13.681 7.629 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -13.686 5.849 4.763 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -12.214 6.516 5.440 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.921 7.382 6.809 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -13.515 8.714 5.744 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -15.426 7.829 4.215 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -15.917 6.870 5.597 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -17.174 8.752 6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -15.715 9.212 6.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -16.490 10.988 5.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -14.979 10.430 4.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -16.393 9.984 4.078 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.678 8.433 4.155 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.770 9.554 4.367 1.00 0.00 C ATOM 1350 C GLU A 85 -9.416 10.227 3.045 1.00 0.00 C ATOM 1351 O GLU A 85 -9.394 11.454 2.947 1.00 0.00 O ATOM 1352 CB GLU A 85 -8.495 9.080 5.068 1.00 0.00 C ATOM 1353 CG GLU A 85 -8.747 8.441 6.424 1.00 0.00 C ATOM 1354 CD GLU A 85 -7.568 7.619 6.909 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -6.418 8.077 6.745 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -7.798 6.519 7.453 1.00 0.00 O ATOM 0 H GLU A 85 -10.277 7.519 4.365 1.00 0.00 H new ATOM 0 HA GLU A 85 -10.276 10.283 5.000 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.984 8.362 4.427 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.823 9.929 5.195 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -8.967 9.220 7.154 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -9.629 7.804 6.363 1.00 0.00 H new ATOM 1363 N ARG A 86 -9.141 9.414 2.030 1.00 0.00 N ATOM 1364 CA ARG A 86 -8.787 9.929 0.713 1.00 0.00 C ATOM 1365 C ARG A 86 -9.842 10.911 0.211 1.00 0.00 C ATOM 1366 O ARG A 86 -9.549 12.080 -0.038 1.00 0.00 O ATOM 1367 CB ARG A 86 -8.629 8.780 -0.284 1.00 0.00 C ATOM 1368 CG ARG A 86 -8.333 9.239 -1.702 1.00 0.00 C ATOM 1369 CD ARG A 86 -8.226 8.060 -2.658 1.00 0.00 C ATOM 1370 NE ARG A 86 -8.532 8.443 -4.034 1.00 0.00 N ATOM 1371 CZ ARG A 86 -9.764 8.501 -4.525 1.00 0.00 C ATOM 1372 NH1 ARG A 86 -10.802 8.202 -3.756 1.00 0.00 N ATOM 1373 NH2 ARG A 86 -9.961 8.858 -5.788 1.00 0.00 N ATOM 0 H ARG A 86 -9.157 8.396 2.095 1.00 0.00 H new ATOM 0 HA ARG A 86 -7.837 10.456 0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -7.824 8.127 0.053 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -9.542 8.185 -0.287 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -9.121 9.912 -2.040 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -7.402 9.806 -1.715 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -7.219 7.646 -2.612 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -8.909 7.272 -2.340 1.00 0.00 H new ATOM 0 HE ARG A 86 -7.756 8.679 -4.652 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -10.655 7.927 -2.785 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -11.748 8.247 -4.136 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -9.165 9.088 -6.383 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -10.908 8.902 -6.164 1.00 0.00 H new ATOM 1387 N SER A 87 -11.071 10.426 0.065 1.00 0.00 N ATOM 1388 CA SER A 87 -12.169 11.259 -0.411 1.00 0.00 C ATOM 1389 C SER A 87 -13.219 11.450 0.680 1.00 0.00 C ATOM 1390 O SER A 87 -13.590 10.502 1.371 1.00 0.00 O ATOM 1391 CB SER A 87 -12.813 10.632 -1.649 1.00 0.00 C ATOM 1392 OG SER A 87 -13.355 11.626 -2.501 1.00 0.00 O ATOM 0 H SER A 87 -11.331 9.461 0.269 1.00 0.00 H new ATOM 0 HA SER A 87 -11.763 12.235 -0.676 1.00 0.00 H new ATOM 0 HB2 SER A 87 -12.070 10.048 -2.193 1.00 0.00 H new ATOM 0 HB3 SER A 87 -13.600 9.942 -1.344 1.00 0.00 H new ATOM 0 HG SER A 87 -13.759 11.200 -3.285 1.00 0.00 H new ATOM 1398 N GLU A 88 -13.692 12.683 0.828 1.00 0.00 N ATOM 1399 CA GLU A 88 -14.698 13.000 1.835 1.00 0.00 C ATOM 1400 C GLU A 88 -15.847 13.797 1.225 1.00 0.00 C ATOM 1401 O GLU A 88 -15.859 15.027 1.276 1.00 0.00 O ATOM 1402 CB GLU A 88 -14.069 13.788 2.985 1.00 0.00 C ATOM 1403 CG GLU A 88 -12.804 13.154 3.538 1.00 0.00 C ATOM 1404 CD GLU A 88 -11.555 13.616 2.812 1.00 0.00 C ATOM 1405 OE1 GLU A 88 -11.293 13.112 1.700 1.00 0.00 O ATOM 1406 OE2 GLU A 88 -10.839 14.483 3.357 1.00 0.00 O ATOM 0 H GLU A 88 -13.395 13.479 0.263 1.00 0.00 H new ATOM 0 HA GLU A 88 -15.096 12.062 2.222 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -13.839 14.796 2.640 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -14.798 13.885 3.789 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.714 13.395 4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.883 12.069 3.463 1.00 0.00 H new ATOM 1413 N SER A 89 -16.811 13.088 0.647 1.00 0.00 N ATOM 1414 CA SER A 89 -17.963 13.729 0.023 1.00 0.00 C ATOM 1415 C SER A 89 -17.527 14.911 -0.836 1.00 0.00 C ATOM 1416 O SER A 89 -18.158 15.967 -0.826 1.00 0.00 O ATOM 1417 CB SER A 89 -18.953 14.197 1.091 1.00 0.00 C ATOM 1418 OG SER A 89 -18.347 15.123 1.977 1.00 0.00 O ATOM 0 H SER A 89 -16.817 12.069 0.598 1.00 0.00 H new ATOM 0 HA SER A 89 -18.452 12.997 -0.619 1.00 0.00 H new ATOM 0 HB2 SER A 89 -19.817 14.658 0.613 1.00 0.00 H new ATOM 0 HB3 SER A 89 -19.320 13.338 1.653 1.00 0.00 H new ATOM 0 HG SER A 89 -17.506 15.445 1.589 1.00 0.00 H new ATOM 1424 N GLY A 90 -16.440 14.726 -1.580 1.00 0.00 N ATOM 1425 CA GLY A 90 -15.936 15.785 -2.435 1.00 0.00 C ATOM 1426 C GLY A 90 -16.951 16.223 -3.473 1.00 0.00 C ATOM 1427 O GLY A 90 -17.894 15.501 -3.794 1.00 0.00 O ATOM 0 H GLY A 90 -15.900 13.861 -1.606 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -15.656 16.641 -1.821 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -15.031 15.443 -2.937 1.00 0.00 H new ATOM 1431 N PRO A 91 -16.762 17.436 -4.014 1.00 0.00 N ATOM 1432 CA PRO A 91 -17.658 17.998 -5.029 1.00 0.00 C ATOM 1433 C PRO A 91 -17.545 17.274 -6.367 1.00 0.00 C ATOM 1434 O PRO A 91 -16.448 16.932 -6.807 1.00 0.00 O ATOM 1435 CB PRO A 91 -17.180 19.446 -5.162 1.00 0.00 C ATOM 1436 CG PRO A 91 -15.753 19.415 -4.739 1.00 0.00 C ATOM 1437 CD PRO A 91 -15.659 18.352 -3.678 1.00 0.00 C ATOM 0 HA PRO A 91 -18.706 17.906 -4.744 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -17.281 19.804 -6.187 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -17.765 20.115 -4.531 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -15.101 19.184 -5.582 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -15.440 20.384 -4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -14.694 17.845 -3.702 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -15.775 18.771 -2.678 1.00 0.00 H new ATOM 1445 N SER A 92 -18.686 17.045 -7.008 1.00 0.00 N ATOM 1446 CA SER A 92 -18.714 16.360 -8.295 1.00 0.00 C ATOM 1447 C SER A 92 -17.862 17.097 -9.324 1.00 0.00 C ATOM 1448 O SER A 92 -18.051 18.289 -9.563 1.00 0.00 O ATOM 1449 CB SER A 92 -20.153 16.240 -8.802 1.00 0.00 C ATOM 1450 OG SER A 92 -20.944 15.468 -7.913 1.00 0.00 O ATOM 0 H SER A 92 -19.603 17.323 -6.658 1.00 0.00 H new ATOM 0 HA SER A 92 -18.300 15.362 -8.154 1.00 0.00 H new ATOM 0 HB2 SER A 92 -20.588 17.234 -8.911 1.00 0.00 H new ATOM 0 HB3 SER A 92 -20.157 15.780 -9.790 1.00 0.00 H new ATOM 0 HG SER A 92 -21.859 15.407 -8.258 1.00 0.00 H new ATOM 1456 N SER A 93 -16.921 16.378 -9.928 1.00 0.00 N ATOM 1457 CA SER A 93 -16.037 16.964 -10.928 1.00 0.00 C ATOM 1458 C SER A 93 -16.826 17.799 -11.930 1.00 0.00 C ATOM 1459 O SER A 93 -17.944 17.446 -12.305 1.00 0.00 O ATOM 1460 CB SER A 93 -15.261 15.866 -11.659 1.00 0.00 C ATOM 1461 OG SER A 93 -16.144 14.938 -12.267 1.00 0.00 O ATOM 0 H SER A 93 -16.752 15.389 -9.742 1.00 0.00 H new ATOM 0 HA SER A 93 -15.332 17.618 -10.415 1.00 0.00 H new ATOM 0 HB2 SER A 93 -14.619 16.313 -12.418 1.00 0.00 H new ATOM 0 HB3 SER A 93 -14.610 15.347 -10.956 1.00 0.00 H new ATOM 0 HG SER A 93 -15.625 14.247 -12.729 1.00 0.00 H new ATOM 1467 N GLY A 94 -16.236 18.909 -12.362 1.00 0.00 N ATOM 1468 CA GLY A 94 -16.898 19.778 -13.318 1.00 0.00 C ATOM 1469 C GLY A 94 -15.918 20.492 -14.228 1.00 0.00 C ATOM 1470 O GLY A 94 -16.319 21.151 -15.187 1.00 0.00 O ATOM 0 H GLY A 94 -15.311 19.222 -12.067 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -17.588 19.189 -13.923 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -17.495 20.516 -12.781 1.00 0.00 H new TER 1474 GLY A 94